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 1l8x_1_B DATA FIRST_RESID 38 DATA SEQUENCE PTGIVLMNMG GPSKVEETYD FLYQLFADND LIPISAKYQK TIAKYIAKFR DATA SEQUENCE TPKIEKQYRE IGGGSPIRKW SEYQATEVCK ILDKTCPETA PHKPYVAFRY DATA SEQUENCE AKPLTAETYK QMLKDGVKKA VAFSQYPHFS YSTTGSSINE LWRQIKALDS DATA SEQUENCE ERSISWSVID RWPTNEGLIK AFSENITKKL QEFPQPVRDK VVLLFSAHSL DATA SEQUENCE PMDVVNTGDA YPAEVAATVY NIMQKLKFKN PYRLVWQSQV GPKPWLGAQT DATA SEQUENCE AEIAEFLGPK VDGLMFIPIA FTSDHIETLH EIDLGVIGES EYKDKFKRCE DATA SEQUENCE SLNGNQTFIE GMADLVKSHL QSNQLYSNQL PLDFALGKSN DPVKDLSLVF DATA SEQUENCE GNHE 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 38 P HA 0.000 nan 4.420 nan 0.000 0.216 38 P C 0.000 177.222 177.300 -0.129 0.000 1.155 38 P CA 0.000 63.046 63.100 -0.090 0.000 0.800 38 P CB 0.000 31.649 31.700 -0.086 0.000 0.726 39 T N 0.810 115.273 114.554 -0.152 0.000 2.906 39 T HA 0.598 4.951 4.350 0.005 0.000 0.302 39 T C 0.006 174.651 174.700 -0.091 0.000 1.002 39 T CA -0.322 61.667 62.100 -0.186 0.000 0.988 39 T CB 2.105 70.780 68.868 -0.322 0.000 0.972 39 T HN 0.258 nan 8.240 nan 0.000 0.447 40 G N 2.156 110.909 108.800 -0.078 0.000 2.332 40 G HA2 0.597 4.560 3.960 0.005 0.000 0.310 40 G HA3 0.597 4.560 3.960 0.005 0.000 0.310 40 G C -0.642 174.292 174.900 0.057 0.000 1.123 40 G CA -0.486 44.668 45.100 0.090 0.000 0.873 40 G HN 0.597 nan 8.290 nan 0.000 0.460 41 I N 2.731 123.406 120.570 0.175 0.000 2.412 41 I HA 0.160 4.333 4.170 0.005 0.000 0.279 41 I C 0.057 176.311 176.117 0.228 0.000 1.063 41 I CA -0.712 60.662 61.300 0.124 0.000 1.193 41 I CB 1.626 39.653 38.000 0.045 0.000 1.370 41 I HN 0.150 nan 8.210 nan 0.000 0.479 42 V N 6.771 126.842 119.914 0.260 0.000 2.339 42 V HA 0.290 4.412 4.120 0.005 0.000 0.261 42 V C 0.581 176.857 176.094 0.304 0.000 1.058 42 V CA -0.690 61.796 62.300 0.309 0.000 0.897 42 V CB 0.093 32.123 31.823 0.346 0.000 1.052 42 V HN 0.379 nan 8.190 nan 0.000 0.480 43 L N 5.885 127.259 121.223 0.252 0.000 2.439 43 L HA 0.492 4.835 4.340 0.005 0.000 0.269 43 L C -0.081 176.877 176.870 0.148 0.000 1.179 43 L CA 0.396 55.349 54.840 0.189 0.000 0.828 43 L CB 0.654 42.801 42.059 0.147 0.000 1.106 43 L HN 0.568 nan 8.230 nan 0.000 0.467 44 M N 4.427 124.083 119.600 0.094 0.000 2.378 44 M HA 0.420 4.902 4.480 0.005 0.000 0.289 44 M C -0.748 175.570 176.300 0.030 0.000 1.136 44 M CA -0.533 54.845 55.300 0.131 0.000 0.917 44 M CB 2.495 35.182 32.600 0.145 0.000 1.669 44 M HN 0.714 nan 8.290 nan 0.000 0.461 45 N N 2.807 121.582 118.700 0.126 0.000 3.179 45 N HA 0.425 5.168 4.740 0.005 0.000 0.250 45 N C -0.133 175.451 175.510 0.123 0.000 1.507 45 N CA -0.739 52.273 53.050 -0.064 0.000 0.883 45 N CB 0.818 39.180 38.487 -0.209 0.000 1.435 45 N HN 0.771 nan 8.380 nan 0.000 0.532 46 M N 0.162 119.837 119.600 0.124 0.000 2.080 46 M HA 0.103 4.586 4.480 0.005 0.000 0.260 46 M C 1.295 177.541 176.300 -0.090 0.000 1.068 46 M CA 2.150 57.418 55.300 -0.053 0.000 1.109 46 M CB -1.031 31.571 32.600 0.004 0.000 1.342 46 M HN 0.909 nan 8.290 nan 0.000 0.405 47 G N -0.472 108.101 108.800 -0.378 0.000 2.566 47 G HA2 0.232 4.195 3.960 0.005 0.000 0.599 47 G HA3 0.232 4.195 3.960 0.005 0.000 0.599 47 G C -0.599 173.944 174.900 -0.595 0.000 1.292 47 G CA -0.755 43.725 45.100 -1.033 0.000 0.922 47 G HN 0.832 nan 8.290 nan 0.000 0.514 48 G N -1.023 107.337 108.800 -0.734 0.000 2.698 48 G HA2 0.771 4.734 3.960 0.005 0.000 0.293 48 G HA3 0.771 4.734 3.960 0.005 0.000 0.293 48 G C -3.398 171.082 174.900 -0.700 0.000 1.437 48 G CA -0.746 43.879 45.100 -0.791 0.000 0.852 48 G HN 0.575 nan 8.290 nan 0.000 0.499 49 P HA 0.184 nan 4.420 nan 0.000 0.266 49 P C 0.787 177.825 177.300 -0.436 0.000 1.215 49 P CA 0.009 62.824 63.100 -0.474 0.000 0.763 49 P CB 1.328 32.826 31.700 -0.337 0.000 0.806 50 S N 2.388 117.964 115.700 -0.207 0.000 2.406 50 S HA -0.033 4.440 4.470 0.005 0.000 0.228 50 S C 0.651 175.168 174.600 -0.137 0.000 1.020 50 S CA 1.141 59.259 58.200 -0.137 0.000 0.965 50 S CB -0.083 63.101 63.200 -0.026 0.000 0.798 50 S HN 0.443 nan 8.310 nan 0.000 0.488 51 K N 0.550 120.887 120.400 -0.106 0.000 2.324 51 K HA 0.394 4.717 4.320 0.005 0.000 0.253 51 K C 0.497 177.066 176.600 -0.050 0.000 0.932 51 K CA -0.417 55.834 56.287 -0.061 0.000 0.799 51 K CB 2.143 34.638 32.500 -0.008 0.000 1.154 51 K HN -0.212 nan 8.250 nan 0.000 0.425 52 V N 1.070 120.975 119.914 -0.014 0.000 2.680 52 V HA -0.225 3.898 4.120 0.005 0.000 0.267 52 V C 0.736 176.895 176.094 0.109 0.000 1.137 52 V CA 1.820 64.160 62.300 0.066 0.000 1.143 52 V CB -0.496 31.378 31.823 0.085 0.000 0.711 52 V HN 0.714 nan 8.190 nan 0.000 0.490 53 E N -0.525 119.725 120.200 0.083 0.000 2.914 53 E HA 0.297 4.650 4.350 0.005 0.000 0.246 53 E C 0.076 176.750 176.600 0.124 0.000 1.146 53 E CA -0.005 56.467 56.400 0.120 0.000 0.803 53 E CB 0.885 30.645 29.700 0.100 0.000 1.409 53 E HN 0.586 nan 8.360 nan 0.000 0.392 54 E N 0.501 120.791 120.200 0.149 0.000 2.703 54 E HA 0.071 4.424 4.350 0.005 0.000 0.214 54 E C 0.783 177.538 176.600 0.259 0.000 0.944 54 E CA 0.133 56.634 56.400 0.167 0.000 1.299 54 E CB 0.751 30.507 29.700 0.093 0.000 1.189 54 E HN 0.199 nan 8.360 nan 0.000 0.597 55 T N 0.849 115.569 114.554 0.277 0.000 2.474 55 T HA -0.214 4.139 4.350 0.005 0.000 0.254 55 T C 0.621 175.566 174.700 0.409 0.000 1.191 55 T CA 1.117 63.449 62.100 0.386 0.000 1.231 55 T CB -0.474 68.598 68.868 0.340 0.000 0.865 55 T HN 0.263 nan 8.240 nan 0.000 0.398 56 Y N 2.634 123.068 120.300 0.224 0.000 2.754 56 Y HA 0.077 4.630 4.550 0.004 0.000 0.349 56 Y C 0.666 176.698 175.900 0.221 0.000 1.179 56 Y CA 0.168 58.385 58.100 0.194 0.000 1.538 56 Y CB -0.205 38.324 38.460 0.115 0.000 1.200 56 Y HN 0.339 nan 8.280 nan 0.000 0.522 57 D N 3.468 124.003 120.400 0.225 0.000 3.545 57 D HA -0.247 4.396 4.640 0.005 0.000 0.316 57 D C 0.717 177.166 176.300 0.248 0.000 0.386 57 D CA 0.584 54.761 54.000 0.296 0.000 0.804 57 D CB -1.344 39.652 40.800 0.328 0.000 1.537 57 D HN 0.510 nan 8.370 nan 0.000 0.473 58 F N 3.152 123.189 119.950 0.146 0.000 2.053 58 F HA 0.150 4.680 4.527 0.005 0.000 0.292 58 F C 2.349 178.202 175.800 0.088 0.000 1.125 58 F CA 1.496 59.579 58.000 0.137 0.000 1.193 58 F CB -0.721 38.379 39.000 0.167 0.000 0.996 58 F HN -0.036 nan 8.300 nan 0.000 0.470 59 L N -0.681 120.532 121.223 -0.018 0.000 2.081 59 L HA -0.301 4.041 4.340 0.005 0.000 0.212 59 L C 2.507 179.411 176.870 0.057 0.000 1.080 59 L CA 2.062 56.888 54.840 -0.024 0.000 0.754 59 L CB -1.174 40.985 42.059 0.167 0.000 0.893 59 L HN 0.374 nan 8.230 nan 0.000 0.433 60 Y N 0.272 120.441 120.300 -0.219 0.000 2.109 60 Y HA -0.280 4.273 4.550 0.004 0.000 0.285 60 Y C 3.010 178.801 175.900 -0.181 0.000 1.131 60 Y CA 1.070 59.029 58.100 -0.234 0.000 1.121 60 Y CB 0.062 38.306 38.460 -0.359 0.000 0.987 60 Y HN 0.115 nan 8.280 nan 0.000 0.495 61 Q N 0.348 119.963 119.800 -0.309 0.000 2.112 61 Q HA -0.242 4.101 4.340 0.005 0.000 0.206 61 Q C 2.269 177.840 176.000 -0.715 0.000 0.987 61 Q CA 1.541 57.096 55.803 -0.414 0.000 0.858 61 Q CB -0.604 28.075 28.738 -0.099 0.000 0.905 61 Q HN 0.493 nan 8.270 nan 0.000 0.420 62 L N -0.033 120.644 121.223 -0.910 0.000 1.955 62 L HA -0.174 4.168 4.340 0.005 0.000 0.213 62 L C 1.999 178.263 176.870 -1.009 0.000 1.072 62 L CA 1.940 55.911 54.840 -1.448 0.000 0.755 62 L CB -1.288 40.062 42.059 -1.183 0.000 0.888 62 L HN 0.174 nan 8.230 nan 0.000 0.432 63 F N 0.098 119.780 119.950 -0.446 0.000 2.699 63 F HA 0.060 4.590 4.527 0.004 0.000 0.298 63 F C 2.281 177.964 175.800 -0.196 0.000 1.154 63 F CA 0.629 58.488 58.000 -0.235 0.000 1.457 63 F CB -0.632 38.312 39.000 -0.093 0.000 1.106 63 F HN 0.206 nan 8.300 nan 0.000 0.585 64 A N -1.256 121.461 122.820 -0.172 0.000 2.238 64 A HA -0.029 4.294 4.320 0.005 0.000 0.208 64 A C 0.448 177.931 177.584 -0.167 0.000 1.177 64 A CA 0.284 52.214 52.037 -0.179 0.000 0.804 64 A CB -0.377 18.353 19.000 -0.450 0.000 0.823 64 A HN 0.118 nan 8.150 nan 0.000 0.482 65 D N -0.421 119.839 120.400 -0.234 0.000 2.373 65 D HA 0.174 4.817 4.640 0.005 0.000 0.227 65 D C 0.668 176.919 176.300 -0.082 0.000 1.091 65 D CA -0.371 53.542 54.000 -0.146 0.000 0.840 65 D CB 0.581 41.291 40.800 -0.150 0.000 1.060 65 D HN 0.157 nan 8.370 nan 0.000 0.502 66 N N 2.776 121.456 118.700 -0.034 0.000 2.453 66 N HA -0.126 4.617 4.740 0.005 0.000 0.183 66 N C 0.595 176.100 175.510 -0.009 0.000 1.041 66 N CA 0.879 53.918 53.050 -0.018 0.000 0.900 66 N CB 0.322 38.801 38.487 -0.013 0.000 0.961 66 N HN 0.310 nan 8.380 nan 0.000 0.443 67 D N -0.348 120.064 120.400 0.019 0.000 2.277 67 D HA -0.055 4.588 4.640 0.005 0.000 0.208 67 D C 1.682 177.995 176.300 0.021 0.000 0.962 67 D CA 0.208 54.248 54.000 0.068 0.000 0.865 67 D CB 0.108 40.962 40.800 0.090 0.000 0.939 67 D HN 0.266 nan 8.370 nan 0.000 0.510 68 L N -0.132 121.077 121.223 -0.024 0.000 2.116 68 L HA 0.217 4.560 4.340 0.005 0.000 0.200 68 L C 0.211 177.013 176.870 -0.114 0.000 1.084 68 L CA 1.010 55.806 54.840 -0.074 0.000 0.766 68 L CB 0.131 42.148 42.059 -0.069 0.000 0.930 68 L HN -0.150 nan 8.230 nan 0.000 0.453 69 I N 1.254 121.767 120.570 -0.095 0.000 2.439 69 I HA 0.241 4.414 4.170 0.005 0.000 0.285 69 I C -2.357 173.734 176.117 -0.044 0.000 1.021 69 I CA -1.801 59.453 61.300 -0.077 0.000 1.091 69 I CB 1.895 39.910 38.000 0.025 0.000 1.242 69 I HN 0.049 nan 8.210 nan 0.000 0.439 70 P HA 0.274 nan 4.420 nan 0.000 0.271 70 P C 0.379 177.671 177.300 -0.014 0.000 1.380 70 P CA 0.189 63.259 63.100 -0.050 0.000 0.992 70 P CB 0.343 31.993 31.700 -0.084 0.000 1.230 71 I N -0.168 120.417 120.570 0.026 0.000 3.039 71 I HA 0.086 4.259 4.170 0.005 0.000 0.270 71 I C 0.712 176.859 176.117 0.050 0.000 1.150 71 I CA 0.660 61.995 61.300 0.058 0.000 1.448 71 I CB 0.283 38.349 38.000 0.109 0.000 1.197 71 I HN 0.196 nan 8.210 nan 0.000 0.450 72 S N 0.166 115.892 115.700 0.042 0.000 2.536 72 S HA 0.550 5.023 4.470 0.005 0.000 0.246 72 S C 0.432 175.018 174.600 -0.024 0.000 1.077 72 S CA -0.201 58.020 58.200 0.034 0.000 1.091 72 S CB 1.316 64.585 63.200 0.115 0.000 1.148 72 S HN 0.238 nan 8.310 nan 0.000 0.447 73 A N 4.616 127.399 122.820 -0.063 0.000 1.978 73 A HA -0.056 4.267 4.320 0.005 0.000 0.220 73 A C 1.830 179.317 177.584 -0.162 0.000 1.170 73 A CA 1.410 53.393 52.037 -0.091 0.000 0.636 73 A CB -0.209 18.738 19.000 -0.089 0.000 0.810 73 A HN 0.773 nan 8.150 nan 0.000 0.448 74 K N -2.491 117.729 120.400 -0.301 0.000 2.334 74 K HA 0.125 4.448 4.320 0.005 0.000 0.195 74 K C -0.482 175.659 176.600 -0.765 0.000 1.045 74 K CA 0.596 56.509 56.287 -0.623 0.000 1.004 74 K CB 0.291 32.208 32.500 -0.971 0.000 0.837 74 K HN 0.660 nan 8.250 nan 0.000 0.510 75 Y N -0.094 120.223 120.300 0.027 0.000 2.685 75 Y HA 0.160 4.713 4.550 0.004 0.000 0.284 75 Y C 1.252 177.185 175.900 0.055 0.000 0.944 75 Y CA -0.663 57.462 58.100 0.042 0.000 1.107 75 Y CB 0.484 38.971 38.460 0.047 0.000 1.188 75 Y HN -0.112 nan 8.280 nan 0.000 0.635 76 Q N 1.460 121.334 119.800 0.123 0.000 1.993 76 Q HA -0.146 4.197 4.340 0.005 0.000 0.202 76 Q C 2.181 178.263 176.000 0.138 0.000 0.984 76 Q CA 1.931 57.799 55.803 0.109 0.000 0.837 76 Q CB 0.152 28.918 28.738 0.047 0.000 0.902 76 Q HN 0.352 nan 8.270 nan 0.000 0.423 77 K N -0.818 119.653 120.400 0.118 0.000 2.044 77 K HA -0.162 4.161 4.320 0.005 0.000 0.210 77 K C 2.135 178.882 176.600 0.246 0.000 1.049 77 K CA 1.869 58.252 56.287 0.161 0.000 0.927 77 K CB -0.345 32.225 32.500 0.116 0.000 0.713 77 K HN 0.327 nan 8.250 nan 0.000 0.443 78 T N 1.674 116.342 114.554 0.190 0.000 2.652 78 T HA -0.131 4.221 4.350 0.005 0.000 0.267 78 T C 1.864 176.659 174.700 0.159 0.000 1.039 78 T CA 1.472 63.655 62.100 0.139 0.000 1.153 78 T CB -0.166 68.787 68.868 0.141 0.000 0.863 78 T HN 0.198 nan 8.240 nan 0.000 0.428 79 I N 1.171 121.868 120.570 0.213 0.000 2.614 79 I HA -0.103 4.070 4.170 0.005 0.000 0.258 79 I C 2.736 178.970 176.117 0.195 0.000 1.189 79 I CA 0.490 61.927 61.300 0.228 0.000 1.462 79 I CB -0.481 37.622 38.000 0.171 0.000 1.092 79 I HN 0.194 nan 8.210 nan 0.000 0.442 80 A N 2.445 125.394 122.820 0.215 0.000 1.835 80 A HA -0.241 4.082 4.320 0.005 0.000 0.215 80 A C 2.361 180.056 177.584 0.186 0.000 1.199 80 A CA 2.045 54.241 52.037 0.265 0.000 0.615 80 A CB -0.647 18.578 19.000 0.375 0.000 0.838 80 A HN 0.504 nan 8.150 nan 0.000 0.444 81 K N -1.752 118.664 120.400 0.027 0.000 2.281 81 K HA -0.179 4.143 4.320 0.005 0.000 0.203 81 K C 1.834 178.355 176.600 -0.131 0.000 1.046 81 K CA 1.725 57.738 56.287 -0.456 0.000 0.938 81 K CB -0.524 31.479 32.500 -0.827 0.000 0.737 81 K HN 0.620 nan 8.250 nan 0.000 0.458 82 Y N 1.280 121.540 120.300 -0.066 0.000 2.163 82 Y HA -0.099 4.453 4.550 0.004 0.000 0.288 82 Y C 2.259 178.145 175.900 -0.023 0.000 1.136 82 Y CA 0.926 59.004 58.100 -0.036 0.000 1.147 82 Y CB 0.095 38.527 38.460 -0.047 0.000 0.987 82 Y HN -0.047 nan 8.280 nan 0.000 0.509 83 I N -0.825 119.800 120.570 0.090 0.000 2.286 83 I HA -0.289 3.884 4.170 0.005 0.000 0.245 83 I C 2.576 178.633 176.117 -0.101 0.000 1.104 83 I CA 0.811 62.065 61.300 -0.076 0.000 1.397 83 I CB -0.572 37.173 38.000 -0.425 0.000 1.072 83 I HN 0.192 nan 8.210 nan 0.000 0.417 84 A N 1.187 123.934 122.820 -0.121 0.000 1.834 84 A HA -0.310 4.012 4.320 0.005 0.000 0.216 84 A C 2.304 179.918 177.584 0.049 0.000 1.203 84 A CA 2.262 54.212 52.037 -0.144 0.000 0.621 84 A CB -0.742 17.999 19.000 -0.432 0.000 0.841 84 A HN 0.266 nan 8.150 nan 0.000 0.446 85 K N -1.651 118.885 120.400 0.227 0.000 2.218 85 K HA -0.180 4.143 4.320 0.005 0.000 0.205 85 K C 1.552 178.298 176.600 0.242 0.000 1.046 85 K CA 1.757 58.275 56.287 0.386 0.000 0.933 85 K CB -0.340 32.357 32.500 0.329 0.000 0.728 85 K HN 0.500 nan 8.250 nan 0.000 0.454 86 F N 0.472 120.458 119.950 0.061 0.000 2.270 86 F HA 0.063 4.593 4.527 0.006 0.000 0.295 86 F C 1.530 177.327 175.800 -0.005 0.000 1.087 86 F CA 0.902 58.911 58.000 0.015 0.000 1.365 86 F CB 0.238 39.222 39.000 -0.027 0.000 1.056 86 F HN -0.123 nan 8.300 nan 0.000 0.506 87 R N -0.413 119.922 120.500 -0.276 0.000 2.300 87 R HA 0.088 4.431 4.340 0.005 0.000 0.199 87 R C 1.762 177.969 176.300 -0.155 0.000 0.920 87 R CA 0.849 56.740 56.100 -0.349 0.000 1.046 87 R CB -0.538 29.642 30.300 -0.200 0.000 0.984 87 R HN 0.236 nan 8.270 nan 0.000 0.493 88 T N 1.704 116.241 114.554 -0.029 0.000 2.720 88 T HA -0.077 4.275 4.350 0.005 0.000 0.268 88 T C -1.138 173.569 174.700 0.011 0.000 1.037 88 T CA 1.178 63.319 62.100 0.069 0.000 1.144 88 T CB -0.714 68.278 68.868 0.207 0.000 0.864 88 T HN 0.169 nan 8.240 nan 0.000 0.444 89 P HA -0.129 nan 4.420 nan 0.000 0.205 89 P C 1.583 178.847 177.300 -0.061 0.000 1.181 89 P CA 1.141 64.212 63.100 -0.049 0.000 0.933 89 P CB -0.086 31.564 31.700 -0.084 0.000 0.775 90 K N -0.320 120.011 120.400 -0.115 0.000 2.071 90 K HA -0.227 4.096 4.320 0.005 0.000 0.217 90 K C 1.932 178.462 176.600 -0.117 0.000 1.054 90 K CA 2.106 58.325 56.287 -0.114 0.000 0.937 90 K CB -0.675 31.732 32.500 -0.155 0.000 0.719 90 K HN -0.064 nan 8.250 nan 0.000 0.454 91 I N 1.347 121.846 120.570 -0.119 0.000 2.226 91 I HA -0.223 3.949 4.170 0.005 0.000 0.245 91 I C 2.318 178.375 176.117 -0.100 0.000 1.100 91 I CA 1.510 62.720 61.300 -0.151 0.000 1.374 91 I CB -1.211 36.745 38.000 -0.074 0.000 1.057 91 I HN 0.383 nan 8.210 nan 0.000 0.413 92 E N 0.783 120.994 120.200 0.018 0.000 2.153 92 E HA -0.239 4.114 4.350 0.005 0.000 0.194 92 E C 2.229 178.880 176.600 0.084 0.000 0.988 92 E CA 1.010 57.472 56.400 0.104 0.000 0.811 92 E CB 0.063 29.822 29.700 0.098 0.000 0.746 92 E HN 0.305 nan 8.360 nan 0.000 0.466 93 K N 0.131 120.547 120.400 0.027 0.000 2.217 93 K HA -0.137 4.185 4.320 0.005 0.000 0.202 93 K C 1.981 178.614 176.600 0.055 0.000 1.051 93 K CA 0.904 57.215 56.287 0.040 0.000 0.952 93 K CB 0.162 32.673 32.500 0.019 0.000 0.736 93 K HN 0.155 nan 8.250 nan 0.000 0.453 94 Q N -0.808 118.968 119.800 -0.040 0.000 2.049 94 Q HA -0.119 4.224 4.340 0.005 0.000 0.198 94 Q C 1.577 177.628 176.000 0.085 0.000 0.971 94 Q CA 1.346 57.084 55.803 -0.109 0.000 0.833 94 Q CB -0.060 28.335 28.738 -0.572 0.000 0.896 94 Q HN 0.438 nan 8.270 nan 0.000 0.434 95 Y N -0.170 120.155 120.300 0.043 0.000 2.569 95 Y HA -0.152 4.399 4.550 0.002 0.000 0.293 95 Y C 2.096 178.039 175.900 0.071 0.000 1.144 95 Y CA 0.305 58.442 58.100 0.061 0.000 1.321 95 Y CB 0.280 38.764 38.460 0.040 0.000 0.982 95 Y HN 0.014 nan 8.280 nan 0.000 0.558 96 R N -0.487 120.148 120.500 0.224 0.000 2.282 96 R HA 0.016 4.359 4.340 0.005 0.000 0.195 96 R C 1.257 177.636 176.300 0.132 0.000 0.909 96 R CA 0.249 56.440 56.100 0.150 0.000 1.039 96 R CB 0.273 30.640 30.300 0.111 0.000 1.015 96 R HN 0.288 nan 8.270 nan 0.000 0.513 97 E N 0.418 120.718 120.200 0.166 0.000 2.489 97 E HA 0.004 4.357 4.350 0.005 0.000 0.193 97 E C 0.645 177.317 176.600 0.119 0.000 1.057 97 E CA 0.435 56.914 56.400 0.131 0.000 0.866 97 E CB 0.420 30.217 29.700 0.161 0.000 0.916 97 E HN 0.419 nan 8.360 nan 0.000 0.500 98 I N -5.117 115.555 120.570 0.169 0.000 3.658 98 I HA 0.522 4.695 4.170 0.005 0.000 0.328 98 I C 0.824 177.019 176.117 0.130 0.000 1.567 98 I CA -0.242 61.150 61.300 0.154 0.000 1.078 98 I CB 0.893 39.029 38.000 0.226 0.000 1.267 98 I HN 0.025 nan 8.210 nan 0.000 0.495 99 G N 0.847 109.708 108.800 0.102 0.000 2.201 99 G HA2 -0.051 3.911 3.960 0.005 0.000 0.212 99 G HA3 -0.051 3.911 3.960 0.005 0.000 0.212 99 G C 0.956 175.891 174.900 0.058 0.000 0.994 99 G CA -0.333 44.808 45.100 0.069 0.000 0.644 99 G HN 1.602 nan 8.290 nan 0.000 0.508 100 G N -0.875 107.977 108.800 0.087 0.000 2.303 100 G HA2 0.532 4.495 3.960 0.005 0.000 0.260 100 G HA3 0.532 4.495 3.960 0.005 0.000 0.260 100 G C 1.344 176.237 174.900 -0.011 0.000 1.106 100 G CA 0.842 45.980 45.100 0.062 0.000 0.900 100 G HN 2.779 nan 8.290 nan 0.000 0.495 101 G N -1.847 106.909 108.800 -0.074 0.000 2.353 101 G HA2 0.554 4.517 3.960 0.005 0.000 0.308 101 G HA3 0.554 4.517 3.960 0.005 0.000 0.308 101 G C -0.490 174.185 174.900 -0.374 0.000 1.418 101 G CA 0.351 45.253 45.100 -0.330 0.000 0.966 101 G HN 1.754 nan 8.290 nan 0.000 0.638 102 S N 0.422 115.808 115.700 -0.524 0.000 2.508 102 S HA 0.726 5.199 4.470 0.005 0.000 0.284 102 S C -0.952 173.622 174.600 -0.044 0.000 1.192 102 S CA -0.982 57.075 58.200 -0.238 0.000 1.070 102 S CB 1.644 64.654 63.200 -0.316 0.000 1.004 102 S HN 0.528 nan 8.310 nan 0.000 0.493 103 P HA 0.158 nan 4.420 nan 0.000 0.255 103 P C 1.414 178.878 177.300 0.274 0.000 1.248 103 P CA 0.146 63.334 63.100 0.147 0.000 0.807 103 P CB 0.043 31.897 31.700 0.257 0.000 1.150 104 I N 0.705 121.443 120.570 0.279 0.000 2.145 104 I HA -0.296 3.877 4.170 0.005 0.000 0.244 104 I C 2.923 179.253 176.117 0.355 0.000 1.075 104 I CA 1.695 63.191 61.300 0.326 0.000 1.332 104 I CB -0.489 37.559 38.000 0.080 0.000 1.033 104 I HN -0.038 nan 8.210 nan 0.000 0.410 105 R N 1.267 121.946 120.500 0.300 0.000 2.083 105 R HA -0.216 4.127 4.340 0.005 0.000 0.237 105 R C 2.302 178.766 176.300 0.274 0.000 1.137 105 R CA 1.746 58.114 56.100 0.447 0.000 0.951 105 R CB -0.045 30.463 30.300 0.346 0.000 0.851 105 R HN 0.300 nan 8.270 nan 0.000 0.434 106 K N -0.526 119.955 120.400 0.135 0.000 1.973 106 K HA -0.185 4.138 4.320 0.005 0.000 0.212 106 K C 1.983 178.649 176.600 0.109 0.000 1.047 106 K CA 2.064 58.359 56.287 0.013 0.000 0.937 106 K CB -0.408 31.974 32.500 -0.196 0.000 0.721 106 K HN 0.280 nan 8.250 nan 0.000 0.440 107 W N 1.376 122.780 121.300 0.173 0.000 2.321 107 W HA -0.238 4.424 4.660 0.003 0.000 0.306 107 W C 2.633 179.295 176.519 0.238 0.000 1.217 107 W CA 0.868 58.334 57.345 0.201 0.000 1.257 107 W CB -0.284 29.282 29.460 0.177 0.000 1.145 107 W HN 0.081 nan 8.180 nan 0.000 0.509 108 S N 0.075 116.059 115.700 0.474 0.000 2.348 108 S HA -0.222 4.251 4.470 0.005 0.000 0.221 108 S C 1.447 176.198 174.600 0.251 0.000 1.033 108 S CA 1.634 60.051 58.200 0.361 0.000 1.010 108 S CB -0.476 62.997 63.200 0.455 0.000 0.891 108 S HN 0.330 nan 8.310 nan 0.000 0.442 109 E N -0.304 120.024 120.200 0.213 0.000 2.085 109 E HA -0.211 4.141 4.350 0.005 0.000 0.194 109 E C 1.897 178.568 176.600 0.119 0.000 0.994 109 E CA 1.455 57.925 56.400 0.116 0.000 0.801 109 E CB -0.261 29.490 29.700 0.085 0.000 0.743 109 E HN 0.617 nan 8.360 nan 0.000 0.453 110 Y N 1.785 122.136 120.300 0.084 0.000 2.128 110 Y HA -0.287 4.268 4.550 0.008 0.000 0.284 110 Y C 2.132 178.086 175.900 0.091 0.000 1.154 110 Y CA 2.007 60.155 58.100 0.080 0.000 1.149 110 Y CB -0.155 38.376 38.460 0.118 0.000 0.976 110 Y HN 0.014 nan 8.280 nan 0.000 0.505 111 Q N 0.041 119.901 119.800 0.101 0.000 2.050 111 Q HA -0.162 4.181 4.340 0.005 0.000 0.202 111 Q C 2.570 178.502 176.000 -0.112 0.000 0.980 111 Q CA 1.431 57.206 55.803 -0.048 0.000 0.840 111 Q CB -0.502 28.300 28.738 0.107 0.000 0.898 111 Q HN 0.595 nan 8.270 nan 0.000 0.424 112 A N 1.372 124.182 122.820 -0.016 0.000 1.859 112 A HA -0.306 4.017 4.320 0.005 0.000 0.218 112 A C 2.422 179.945 177.584 -0.102 0.000 1.209 112 A CA 2.670 54.696 52.037 -0.019 0.000 0.639 112 A CB -1.612 17.398 19.000 0.016 0.000 0.835 112 A HN 0.587 nan 8.150 nan 0.000 0.450 113 T N -2.629 111.845 114.554 -0.134 0.000 2.720 113 T HA -0.178 4.175 4.350 0.005 0.000 0.268 113 T C 1.669 176.245 174.700 -0.208 0.000 1.037 113 T CA 1.667 63.671 62.100 -0.160 0.000 1.144 113 T CB -0.433 68.350 68.868 -0.141 0.000 0.864 113 T HN 0.435 nan 8.240 nan 0.000 0.444 114 E N 0.787 120.794 120.200 -0.322 0.000 2.051 114 E HA -0.056 4.296 4.350 0.005 0.000 0.192 114 E C 2.510 178.959 176.600 -0.252 0.000 0.991 114 E CA 1.035 57.226 56.400 -0.349 0.000 0.799 114 E CB -0.667 28.680 29.700 -0.588 0.000 0.748 114 E HN 0.459 nan 8.360 nan 0.000 0.449 115 V N 0.511 120.281 119.914 -0.240 0.000 2.490 115 V HA -0.261 3.862 4.120 0.005 0.000 0.250 115 V C 2.495 178.453 176.094 -0.228 0.000 1.061 115 V CA 1.382 63.544 62.300 -0.230 0.000 1.064 115 V CB -0.421 31.276 31.823 -0.211 0.000 0.670 115 V HN 0.319 nan 8.190 nan 0.000 0.461 116 C N -0.581 118.604 119.300 -0.191 0.000 2.450 116 C HA -0.075 4.388 4.460 0.005 0.000 0.279 116 C C 2.722 177.613 174.990 -0.166 0.000 1.335 116 C CA 0.568 59.483 59.018 -0.172 0.000 1.749 116 C CB -0.837 26.844 27.740 -0.098 0.000 1.963 116 C HN 0.525 nan 8.230 nan 0.000 0.501 117 K N 0.704 121.014 120.400 -0.151 0.000 2.063 117 K HA -0.123 4.200 4.320 0.005 0.000 0.208 117 K C 1.698 178.216 176.600 -0.136 0.000 1.048 117 K CA 1.364 57.578 56.287 -0.122 0.000 0.928 117 K CB -0.242 32.190 32.500 -0.114 0.000 0.713 117 K HN 0.521 nan 8.250 nan 0.000 0.442 118 I N 1.230 121.699 120.570 -0.167 0.000 2.142 118 I HA -0.306 3.866 4.170 0.005 0.000 0.240 118 I C 2.179 178.168 176.117 -0.214 0.000 1.078 118 I CA 1.268 62.467 61.300 -0.170 0.000 1.343 118 I CB -0.364 37.528 38.000 -0.179 0.000 1.046 118 I HN 0.109 nan 8.210 nan 0.000 0.405 119 L N 0.374 121.400 121.223 -0.328 0.000 2.189 119 L HA -0.265 4.078 4.340 0.005 0.000 0.214 119 L C 1.994 178.604 176.870 -0.433 0.000 1.097 119 L CA 1.085 55.610 54.840 -0.525 0.000 0.764 119 L CB -0.761 40.716 42.059 -0.969 0.000 0.900 119 L HN 0.315 nan 8.230 nan 0.000 0.436 120 D N -0.072 120.194 120.400 -0.222 0.000 2.144 120 D HA -0.158 4.485 4.640 0.005 0.000 0.200 120 D C 2.173 178.454 176.300 -0.032 0.000 0.978 120 D CA 1.165 55.156 54.000 -0.015 0.000 0.833 120 D CB 0.102 40.909 40.800 0.010 0.000 0.961 120 D HN 0.266 nan 8.370 nan 0.000 0.470 121 K N -0.340 120.018 120.400 -0.071 0.000 2.262 121 K HA 0.030 4.353 4.320 0.005 0.000 0.200 121 K C 1.697 178.260 176.600 -0.062 0.000 1.049 121 K CA 0.641 56.895 56.287 -0.056 0.000 0.979 121 K CB 0.412 32.877 32.500 -0.059 0.000 0.773 121 K HN -0.061 nan 8.250 nan 0.000 0.474 122 T N -0.454 114.044 114.554 -0.094 0.000 2.976 122 T HA 0.011 4.364 4.350 0.005 0.000 0.257 122 T C 0.703 175.357 174.700 -0.076 0.000 1.051 122 T CA 0.572 62.617 62.100 -0.093 0.000 1.141 122 T CB 0.214 69.005 68.868 -0.128 0.000 0.881 122 T HN 0.181 nan 8.240 nan 0.000 0.461 123 C N 2.600 121.853 119.300 -0.077 0.000 3.094 123 C HA 0.378 4.841 4.460 0.005 0.000 0.262 123 C C -1.626 173.408 174.990 0.073 0.000 1.459 123 C CA -1.558 57.453 59.018 -0.010 0.000 1.570 123 C CB -0.019 27.717 27.740 -0.007 0.000 2.056 123 C HN 0.345 nan 8.230 nan 0.000 0.499 124 P HA -0.192 nan 4.420 nan 0.000 0.219 124 P C 1.745 179.061 177.300 0.027 0.000 1.146 124 P CA 1.369 64.490 63.100 0.035 0.000 0.808 124 P CB 0.023 31.726 31.700 0.004 0.000 0.779 125 E N -0.280 119.930 120.200 0.017 0.000 2.393 125 E HA -0.157 4.196 4.350 0.005 0.000 0.201 125 E C 0.217 176.809 176.600 -0.013 0.000 1.025 125 E CA 1.533 57.932 56.400 -0.002 0.000 0.856 125 E CB -1.169 28.527 29.700 -0.006 0.000 0.771 125 E HN 0.298 nan 8.360 nan 0.000 0.526 126 T N -2.353 112.201 114.554 -0.000 0.000 3.533 126 T HA 0.667 5.020 4.350 0.005 0.000 0.275 126 T C 0.565 175.101 174.700 -0.273 0.000 1.000 126 T CA -0.098 61.937 62.100 -0.109 0.000 1.015 126 T CB 0.523 69.351 68.868 -0.066 0.000 1.153 126 T HN 0.387 nan 8.240 nan 0.000 0.504 127 A N 2.610 125.346 122.820 -0.139 0.000 5.696 127 A HA -0.105 4.217 4.320 0.005 0.000 0.491 127 A C -2.165 175.301 177.584 -0.195 0.000 1.684 127 A CA 0.156 52.114 52.037 -0.131 0.000 1.457 127 A CB -2.219 16.710 19.000 -0.119 0.000 1.463 127 A HN 0.541 nan 8.150 nan 0.000 0.589 128 P HA 0.354 nan 4.420 nan 0.000 0.268 128 P C -0.825 176.335 177.300 -0.232 0.000 1.204 128 P CA 0.737 63.771 63.100 -0.110 0.000 0.768 128 P CB 0.138 31.792 31.700 -0.076 0.000 0.842 129 H N 1.429 120.457 119.070 -0.070 0.000 2.638 129 H HA 0.299 4.858 4.556 0.005 0.000 0.303 129 H C 0.085 175.356 175.328 -0.094 0.000 1.034 129 H CA -0.408 55.596 56.048 -0.075 0.000 1.225 129 H CB 0.669 30.377 29.762 -0.090 0.000 1.394 129 H HN 0.126 nan 8.280 nan 0.000 0.477 130 K N 5.248 125.638 120.400 -0.017 0.000 2.248 130 K HA 0.186 4.509 4.320 0.005 0.000 0.281 130 K C -2.513 173.920 176.600 -0.278 0.000 1.054 130 K CA -1.940 54.245 56.287 -0.170 0.000 0.903 130 K CB 0.941 33.315 32.500 -0.210 0.000 1.077 130 K HN 0.424 nan 8.250 nan 0.000 0.474 131 P HA 0.043 nan 4.420 nan 0.000 0.276 131 P C -1.345 175.717 177.300 -0.397 0.000 1.264 131 P CA 0.183 63.142 63.100 -0.235 0.000 0.769 131 P CB 0.289 31.892 31.700 -0.161 0.000 0.840 132 Y N 1.387 121.687 120.300 0.000 0.000 2.598 132 Y HA 0.564 5.117 4.550 0.005 0.000 0.340 132 Y C 0.343 176.239 175.900 -0.006 0.000 1.038 132 Y CA -1.041 57.056 58.100 -0.005 0.000 1.100 132 Y CB 2.231 40.697 38.460 0.010 0.000 1.281 132 Y HN 0.050 nan 8.280 nan 0.000 0.488 133 V N 1.506 121.488 119.914 0.115 0.000 2.612 133 V HA 0.716 4.839 4.120 0.005 0.000 0.301 133 V C -1.055 174.933 176.094 -0.177 0.000 1.059 133 V CA -0.891 61.361 62.300 -0.079 0.000 0.886 133 V CB 1.613 33.276 31.823 -0.267 0.000 1.007 133 V HN 0.814 nan 8.190 nan 0.000 0.426 134 A N 5.648 128.412 122.820 -0.094 0.000 2.431 134 A HA 0.789 5.112 4.320 0.005 0.000 0.318 134 A C -0.693 176.937 177.584 0.077 0.000 1.330 134 A CA -0.353 51.667 52.037 -0.028 0.000 0.804 134 A CB 0.264 19.322 19.000 0.097 0.000 1.135 134 A HN 0.658 nan 8.150 nan 0.000 0.483 135 F N 0.991 120.990 119.950 0.083 0.000 2.389 135 F HA 0.310 4.840 4.527 0.005 0.000 0.337 135 F C 1.652 177.456 175.800 0.007 0.000 1.112 135 F CA -0.878 57.155 58.000 0.054 0.000 1.192 135 F CB 1.258 40.312 39.000 0.089 0.000 1.185 135 F HN 0.724 nan 8.300 nan 0.000 0.552 136 R N 1.622 122.175 120.500 0.089 0.000 2.052 136 R HA -0.068 4.274 4.340 0.005 0.000 0.226 136 R C 1.076 177.330 176.300 -0.076 0.000 1.145 136 R CA 1.845 57.816 56.100 -0.215 0.000 0.952 136 R CB -0.473 29.366 30.300 -0.768 0.000 0.847 136 R HN 0.744 nan 8.270 nan 0.000 0.431 137 Y N -1.352 119.064 120.300 0.193 0.000 2.445 137 Y HA 0.535 5.087 4.550 0.004 0.000 0.247 137 Y C 0.566 176.718 175.900 0.421 0.000 1.129 137 Y CA -0.571 57.634 58.100 0.174 0.000 1.251 137 Y CB 0.527 38.941 38.460 -0.077 0.000 1.176 137 Y HN 0.082 nan 8.280 nan 0.000 0.522 138 A N 0.656 123.794 122.820 0.531 0.000 2.269 138 A HA 0.392 4.715 4.320 0.005 0.000 0.319 138 A C 0.871 178.724 177.584 0.448 0.000 1.110 138 A CA -0.623 51.668 52.037 0.424 0.000 0.847 138 A CB 0.867 19.901 19.000 0.056 0.000 1.161 138 A HN 0.169 nan 8.150 nan 0.000 0.497 139 K N 0.220 120.834 120.400 0.357 0.000 2.471 139 K HA -0.175 4.147 4.320 0.005 0.000 0.228 139 K C -1.750 174.982 176.600 0.221 0.000 0.710 139 K CA 2.417 58.865 56.287 0.269 0.000 0.900 139 K CB -1.546 31.082 32.500 0.214 0.000 0.385 139 K HN 0.540 nan 8.250 nan 0.000 0.972 140 P HA -0.078 nan 4.420 nan 0.000 0.197 140 P C -0.718 176.604 177.300 0.037 0.000 1.121 140 P CA 0.534 63.634 63.100 0.001 0.000 1.318 140 P CB -0.399 31.189 31.700 -0.187 0.000 1.634 141 L N 0.787 122.078 121.223 0.113 0.000 2.473 141 L HA 0.024 4.366 4.340 0.005 0.000 0.268 141 L C 1.974 178.901 176.870 0.095 0.000 1.215 141 L CA -0.047 54.868 54.840 0.126 0.000 0.823 141 L CB -0.090 42.047 42.059 0.130 0.000 1.099 141 L HN 0.197 nan 8.230 nan 0.000 0.483 142 T N 0.505 115.115 114.554 0.094 0.000 2.714 142 T HA -0.311 4.042 4.350 0.005 0.000 0.268 142 T C 1.767 176.538 174.700 0.119 0.000 1.036 142 T CA 1.580 63.739 62.100 0.098 0.000 1.148 142 T CB -0.271 68.636 68.868 0.064 0.000 0.856 142 T HN 0.772 nan 8.240 nan 0.000 0.462 143 A N 1.567 124.438 122.820 0.085 0.000 1.834 143 A HA -0.200 4.123 4.320 0.005 0.000 0.216 143 A C 2.260 179.907 177.584 0.105 0.000 1.203 143 A CA 2.029 54.110 52.037 0.074 0.000 0.621 143 A CB -1.021 18.008 19.000 0.048 0.000 0.841 143 A HN 0.589 nan 8.150 nan 0.000 0.446 144 E N -1.121 119.133 120.200 0.091 0.000 2.108 144 E HA -0.243 4.110 4.350 0.005 0.000 0.203 144 E C 2.055 178.717 176.600 0.103 0.000 1.022 144 E CA 2.108 58.561 56.400 0.089 0.000 0.823 144 E CB -0.250 29.497 29.700 0.079 0.000 0.744 144 E HN 0.604 nan 8.360 nan 0.000 0.456 145 T N -0.409 114.209 114.554 0.106 0.000 2.777 145 T HA -0.176 4.177 4.350 0.005 0.000 0.266 145 T C 1.484 176.234 174.700 0.082 0.000 1.040 145 T CA 1.331 63.490 62.100 0.099 0.000 1.141 145 T CB -0.521 68.402 68.868 0.091 0.000 0.868 145 T HN 0.346 nan 8.240 nan 0.000 0.444 146 Y N 2.003 122.329 120.300 0.044 0.000 2.274 146 Y HA -0.162 4.391 4.550 0.005 0.000 0.290 146 Y C 2.245 178.165 175.900 0.034 0.000 1.145 146 Y CA 1.180 59.323 58.100 0.072 0.000 1.203 146 Y CB -0.037 38.475 38.460 0.087 0.000 0.984 146 Y HN 0.152 nan 8.280 nan 0.000 0.533 147 K N -0.401 120.144 120.400 0.242 0.000 1.973 147 K HA -0.246 4.077 4.320 0.005 0.000 0.212 147 K C 2.145 178.803 176.600 0.096 0.000 1.047 147 K CA 1.557 57.941 56.287 0.163 0.000 0.937 147 K CB -0.365 32.203 32.500 0.113 0.000 0.721 147 K HN 0.231 nan 8.250 nan 0.000 0.440 148 Q N 0.691 120.538 119.800 0.079 0.000 2.062 148 Q HA -0.208 4.135 4.340 0.005 0.000 0.209 148 Q C 2.177 178.199 176.000 0.037 0.000 0.996 148 Q CA 1.946 57.801 55.803 0.086 0.000 0.859 148 Q CB -0.283 28.551 28.738 0.161 0.000 0.920 148 Q HN 0.425 nan 8.270 nan 0.000 0.415 149 M N -0.198 119.322 119.600 -0.134 0.000 2.195 149 M HA -0.207 4.275 4.480 0.005 0.000 0.260 149 M C 2.183 178.395 176.300 -0.147 0.000 1.066 149 M CA 1.205 56.319 55.300 -0.310 0.000 1.089 149 M CB -0.273 31.927 32.600 -0.666 0.000 1.377 149 M HN 0.146 nan 8.290 nan 0.000 0.411 150 L N -0.588 120.604 121.223 -0.050 0.000 2.179 150 L HA -0.123 4.220 4.340 0.005 0.000 0.208 150 L C 2.516 179.402 176.870 0.026 0.000 1.096 150 L CA 0.915 55.766 54.840 0.019 0.000 0.779 150 L CB -0.385 41.745 42.059 0.117 0.000 0.922 150 L HN 0.250 nan 8.230 nan 0.000 0.443 151 K N 0.022 120.443 120.400 0.036 0.000 2.103 151 K HA -0.140 4.183 4.320 0.005 0.000 0.204 151 K C 0.959 177.579 176.600 0.033 0.000 1.052 151 K CA 1.256 57.566 56.287 0.039 0.000 0.945 151 K CB 0.191 32.721 32.500 0.049 0.000 0.722 151 K HN 0.191 nan 8.250 nan 0.000 0.443 152 D N -0.224 120.200 120.400 0.040 0.000 2.336 152 D HA 0.063 4.706 4.640 0.005 0.000 0.229 152 D C 0.457 176.766 176.300 0.015 0.000 1.061 152 D CA 0.740 54.767 54.000 0.046 0.000 0.875 152 D CB 0.352 41.219 40.800 0.112 0.000 0.904 152 D HN 0.425 nan 8.370 nan 0.000 0.525 153 G N 1.313 110.111 108.800 -0.003 0.000 2.295 153 G HA2 -0.251 3.712 3.960 0.005 0.000 0.287 153 G HA3 -0.251 3.712 3.960 0.005 0.000 0.287 153 G C 0.495 175.365 174.900 -0.050 0.000 1.055 153 G CA 0.408 45.496 45.100 -0.020 0.000 0.922 153 G HN 0.431 nan 8.290 nan 0.000 0.503 154 V N -1.865 117.995 119.914 -0.089 0.000 2.508 154 V HA 0.574 4.697 4.120 0.005 0.000 0.281 154 V C 1.405 177.404 176.094 -0.158 0.000 1.041 154 V CA 0.413 62.627 62.300 -0.144 0.000 1.016 154 V CB 1.262 32.938 31.823 -0.244 0.000 0.984 154 V HN 0.589 nan 8.190 nan 0.000 0.478 155 K N 4.115 124.431 120.400 -0.139 0.000 2.099 155 K HA 0.162 4.485 4.320 0.005 0.000 0.203 155 K C 0.727 177.233 176.600 -0.157 0.000 1.047 155 K CA 0.373 56.591 56.287 -0.115 0.000 0.963 155 K CB 0.302 32.752 32.500 -0.084 0.000 0.759 155 K HN 0.705 nan 8.250 nan 0.000 0.451 156 K N 0.799 121.081 120.400 -0.196 0.000 2.371 156 K HA 0.594 4.917 4.320 0.005 0.000 0.251 156 K C -1.832 174.570 176.600 -0.331 0.000 0.934 156 K CA -0.760 55.394 56.287 -0.222 0.000 0.798 156 K CB 2.351 34.772 32.500 -0.132 0.000 1.204 156 K HN 0.188 nan 8.250 nan 0.000 0.427 157 A N 2.221 124.767 122.820 -0.458 0.000 2.587 157 A HA 0.643 4.966 4.320 0.005 0.000 0.293 157 A C -1.621 175.797 177.584 -0.278 0.000 1.087 157 A CA -0.749 50.957 52.037 -0.551 0.000 0.692 157 A CB 1.984 20.258 19.000 -1.210 0.000 1.291 157 A HN 0.371 nan 8.150 nan 0.000 0.407 158 V N 0.799 120.653 119.914 -0.099 0.000 2.483 158 V HA 0.646 4.769 4.120 0.005 0.000 0.297 158 V C 0.463 176.721 176.094 0.274 0.000 1.027 158 V CA -0.339 62.021 62.300 0.099 0.000 0.855 158 V CB 1.307 33.109 31.823 -0.035 0.000 0.995 158 V HN 1.410 nan 8.190 nan 0.000 0.424 159 A N 5.130 128.240 122.820 0.483 0.000 2.376 159 A HA 0.561 4.884 4.320 0.005 0.000 0.298 159 A C -0.592 177.206 177.584 0.357 0.000 1.271 159 A CA -0.037 52.304 52.037 0.507 0.000 0.926 159 A CB -0.376 18.929 19.000 0.508 0.000 1.141 159 A HN 0.719 nan 8.150 nan 0.000 0.539 160 F N 4.173 124.206 119.950 0.139 0.000 2.309 160 F HA 0.356 4.885 4.527 0.004 0.000 0.366 160 F C 0.738 176.640 175.800 0.170 0.000 1.104 160 F CA -1.100 56.945 58.000 0.076 0.000 1.179 160 F CB 0.526 39.525 39.000 -0.002 0.000 1.437 160 F HN 0.428 nan 8.300 nan 0.000 0.528 161 S N 4.366 120.184 115.700 0.197 0.000 2.509 161 S HA -0.004 4.469 4.470 0.005 0.000 0.287 161 S C 1.000 175.574 174.600 -0.043 0.000 1.248 161 S CA -0.050 58.221 58.200 0.117 0.000 1.089 161 S CB 0.194 63.553 63.200 0.265 0.000 0.900 161 S HN 0.801 nan 8.310 nan 0.000 0.496 162 Q N 3.629 123.288 119.800 -0.234 0.000 2.344 162 Q HA 0.070 4.413 4.340 0.005 0.000 0.212 162 Q C -0.974 174.861 176.000 -0.275 0.000 0.943 162 Q CA 0.380 56.036 55.803 -0.245 0.000 0.955 162 Q CB 0.085 28.653 28.738 -0.283 0.000 1.000 162 Q HN 0.770 nan 8.270 nan 0.000 0.488 163 Y N -0.558 119.730 120.300 -0.021 0.000 2.587 163 Y HA 0.191 4.743 4.550 0.004 0.000 0.328 163 Y C -1.709 173.911 175.900 -0.466 0.000 0.980 163 Y CA -2.638 55.391 58.100 -0.118 0.000 1.272 163 Y CB 1.232 39.691 38.460 -0.003 0.000 1.094 163 Y HN 0.153 nan 8.280 nan 0.000 0.503 164 P HA -0.199 nan 4.420 nan 0.000 0.217 164 P C -0.335 176.470 177.300 -0.824 0.000 1.148 164 P CA 1.682 63.797 63.100 -1.641 0.000 0.834 164 P CB 0.163 30.880 31.700 -1.638 0.000 0.783 165 H N -1.461 117.590 119.070 -0.031 0.000 2.488 165 H HA 0.213 4.771 4.556 0.003 0.000 0.322 165 H C -0.271 175.243 175.328 0.309 0.000 1.078 165 H CA -1.175 54.976 56.048 0.173 0.000 1.260 165 H CB 0.312 30.188 29.762 0.190 0.000 1.425 165 H HN 0.023 nan 8.280 nan 0.000 0.471 166 F N 2.358 122.474 119.950 0.276 0.000 2.429 166 F HA 0.275 4.805 4.527 0.005 0.000 0.348 166 F C 0.363 176.309 175.800 0.242 0.000 1.109 166 F CA 0.324 58.460 58.000 0.226 0.000 1.232 166 F CB 0.858 39.974 39.000 0.194 0.000 1.157 166 F HN 0.449 nan 8.300 nan 0.000 0.564 167 S N 4.313 119.755 115.700 -0.431 0.000 2.550 167 S HA 0.209 4.682 4.470 0.005 0.000 0.270 167 S C -0.161 174.086 174.600 -0.589 0.000 1.145 167 S CA -0.677 57.384 58.200 -0.232 0.000 0.852 167 S CB 0.835 63.791 63.200 -0.407 0.000 1.119 167 S HN 0.752 nan 8.310 nan 0.000 0.465 168 Y N 3.032 123.168 120.300 -0.275 0.000 2.286 168 Y HA 0.061 4.614 4.550 0.005 0.000 0.293 168 Y C 2.374 178.094 175.900 -0.301 0.000 1.124 168 Y CA 2.212 60.153 58.100 -0.266 0.000 1.178 168 Y CB -0.119 38.253 38.460 -0.147 0.000 1.010 168 Y HN 0.700 nan 8.280 nan 0.000 0.536 169 S N -0.760 114.863 115.700 -0.130 0.000 2.419 169 S HA -0.187 4.286 4.470 0.005 0.000 0.235 169 S C 1.675 176.104 174.600 -0.286 0.000 1.019 169 S CA 1.693 59.784 58.200 -0.182 0.000 0.982 169 S CB -0.585 62.472 63.200 -0.239 0.000 0.789 169 S HN 0.754 nan 8.310 nan 0.000 0.490 170 T N -1.340 112.953 114.554 -0.435 0.000 3.556 170 T HA 0.076 4.428 4.350 0.005 0.000 0.204 170 T C 1.847 176.337 174.700 -0.349 0.000 0.896 170 T CA 0.783 62.608 62.100 -0.458 0.000 1.380 170 T CB -1.120 67.248 68.868 -0.832 0.000 1.584 170 T HN 0.104 nan 8.240 nan 0.000 0.411 171 T N 1.816 116.111 114.554 -0.432 0.000 2.685 171 T HA -0.020 4.332 4.350 0.005 0.000 0.268 171 T C 2.165 176.689 174.700 -0.294 0.000 1.034 171 T CA 1.773 63.689 62.100 -0.306 0.000 1.149 171 T CB -1.271 67.305 68.868 -0.486 0.000 0.860 171 T HN 0.634 nan 8.240 nan 0.000 0.449 172 G N 0.643 109.092 108.800 -0.585 0.000 2.459 172 G HA2 -0.247 3.716 3.960 0.005 0.000 0.217 172 G HA3 -0.247 3.716 3.960 0.005 0.000 0.217 172 G C 1.845 176.463 174.900 -0.470 0.000 1.183 172 G CA 1.291 46.002 45.100 -0.647 0.000 0.776 172 G HN 0.527 nan 8.290 nan 0.000 0.552 173 S N 0.288 115.738 115.700 -0.417 0.000 2.359 173 S HA -0.230 4.242 4.470 0.005 0.000 0.223 173 S C 2.622 177.165 174.600 -0.096 0.000 1.039 173 S CA 2.238 60.324 58.200 -0.190 0.000 1.042 173 S CB -0.761 62.371 63.200 -0.113 0.000 0.915 173 S HN 0.444 nan 8.310 nan 0.000 0.439 174 S N 0.646 116.288 115.700 -0.096 0.000 2.365 174 S HA -0.123 4.350 4.470 0.005 0.000 0.225 174 S C 1.829 176.448 174.600 0.032 0.000 1.039 174 S CA 1.781 59.968 58.200 -0.022 0.000 1.033 174 S CB -0.696 62.519 63.200 0.026 0.000 0.887 174 S HN 0.626 nan 8.310 nan 0.000 0.447 175 I N 1.385 121.999 120.570 0.074 0.000 2.233 175 I HA -0.144 4.029 4.170 0.005 0.000 0.243 175 I C 2.371 178.561 176.117 0.122 0.000 1.093 175 I CA 1.363 62.754 61.300 0.151 0.000 1.380 175 I CB -0.746 37.434 38.000 0.300 0.000 1.067 175 I HN 0.401 nan 8.210 nan 0.000 0.413 176 N N 0.300 119.081 118.700 0.136 0.000 2.322 176 N HA -0.221 4.522 4.740 0.005 0.000 0.189 176 N C 1.808 177.398 175.510 0.133 0.000 1.012 176 N CA 0.838 53.991 53.050 0.172 0.000 0.880 176 N CB 0.078 38.641 38.487 0.127 0.000 0.967 176 N HN 0.341 nan 8.380 nan 0.000 0.439 177 E N 0.916 121.155 120.200 0.065 0.000 2.042 177 E HA -0.068 4.285 4.350 0.005 0.000 0.189 177 E C 2.003 178.598 176.600 -0.008 0.000 0.974 177 E CA 0.299 56.715 56.400 0.025 0.000 0.806 177 E CB -0.267 29.442 29.700 0.014 0.000 0.769 177 E HN 0.207 nan 8.360 nan 0.000 0.451 178 L N 1.139 122.346 121.223 -0.027 0.000 2.089 178 L HA -0.181 4.162 4.340 0.005 0.000 0.213 178 L C 2.137 178.950 176.870 -0.096 0.000 1.079 178 L CA 1.827 56.585 54.840 -0.136 0.000 0.758 178 L CB -0.638 41.271 42.059 -0.251 0.000 0.891 178 L HN 0.333 nan 8.230 nan 0.000 0.433 179 W N 0.271 121.415 121.300 -0.261 0.000 2.358 179 W HA -0.227 4.435 4.660 0.004 0.000 0.303 179 W C 2.421 178.812 176.519 -0.213 0.000 1.208 179 W CA 1.005 58.192 57.345 -0.263 0.000 1.274 179 W CB -0.005 29.334 29.460 -0.201 0.000 1.138 179 W HN 0.095 nan 8.180 nan 0.000 0.515 180 R N -0.074 120.325 120.500 -0.169 0.000 2.115 180 R HA -0.184 4.159 4.340 0.005 0.000 0.230 180 R C 2.146 178.250 176.300 -0.327 0.000 1.111 180 R CA 1.384 57.295 56.100 -0.315 0.000 0.976 180 R CB -0.396 29.809 30.300 -0.159 0.000 0.870 180 R HN 0.163 nan 8.270 nan 0.000 0.445 181 Q N 0.638 120.269 119.800 -0.282 0.000 2.137 181 Q HA 0.037 4.380 4.340 0.005 0.000 0.198 181 Q C 1.868 177.498 176.000 -0.618 0.000 0.960 181 Q CA 1.144 56.724 55.803 -0.373 0.000 0.847 181 Q CB 0.050 28.627 28.738 -0.269 0.000 0.915 181 Q HN 0.304 nan 8.270 nan 0.000 0.448 182 I N -0.147 120.107 120.570 -0.526 0.000 2.361 182 I HA -0.272 3.901 4.170 0.005 0.000 0.251 182 I C 1.883 177.747 176.117 -0.423 0.000 1.133 182 I CA 1.056 62.086 61.300 -0.449 0.000 1.413 182 I CB -0.078 37.870 38.000 -0.087 0.000 1.073 182 I HN 0.099 nan 8.210 nan 0.000 0.424 183 K N 0.629 120.699 120.400 -0.551 0.000 2.167 183 K HA 0.013 4.336 4.320 0.005 0.000 0.203 183 K C 1.976 178.364 176.600 -0.352 0.000 1.052 183 K CA 1.192 57.159 56.287 -0.535 0.000 0.956 183 K CB 0.004 32.055 32.500 -0.748 0.000 0.735 183 K HN 0.292 nan 8.250 nan 0.000 0.451 184 A N -0.437 122.186 122.820 -0.329 0.000 1.973 184 A HA 0.142 4.465 4.320 0.005 0.000 0.210 184 A C 1.771 179.234 177.584 -0.201 0.000 1.200 184 A CA 0.483 52.381 52.037 -0.231 0.000 0.707 184 A CB -0.054 18.826 19.000 -0.200 0.000 0.862 184 A HN 0.178 nan 8.150 nan 0.000 0.461 185 L N -0.966 120.089 121.223 -0.280 0.000 2.477 185 L HA 0.147 4.490 4.340 0.005 0.000 0.220 185 L C 0.175 176.950 176.870 -0.158 0.000 1.106 185 L CA 0.545 55.249 54.840 -0.227 0.000 0.851 185 L CB 0.520 42.392 42.059 -0.312 0.000 0.994 185 L HN 0.270 nan 8.230 nan 0.000 0.462 186 D N -1.028 119.253 120.400 -0.198 0.000 2.735 186 D HA 0.052 4.694 4.640 0.005 0.000 0.291 186 D C 0.994 177.282 176.300 -0.020 0.000 1.205 186 D CA 0.131 54.122 54.000 -0.015 0.000 0.777 186 D CB 0.694 41.601 40.800 0.179 0.000 1.234 186 D HN 0.003 nan 8.370 nan 0.000 0.520 187 S N 0.523 116.198 115.700 -0.043 0.000 2.515 187 S HA -0.072 4.401 4.470 0.005 0.000 0.231 187 S C 1.294 175.902 174.600 0.012 0.000 0.987 187 S CA 0.343 58.518 58.200 -0.041 0.000 0.936 187 S CB 0.129 63.294 63.200 -0.058 0.000 0.766 187 S HN 0.244 nan 8.310 nan 0.000 0.528 188 E N 1.192 121.415 120.200 0.038 0.000 2.274 188 E HA 0.042 4.395 4.350 0.005 0.000 0.194 188 E C 0.120 176.774 176.600 0.090 0.000 0.996 188 E CA 0.135 56.569 56.400 0.056 0.000 0.840 188 E CB -0.250 29.484 29.700 0.056 0.000 0.772 188 E HN 0.339 nan 8.360 nan 0.000 0.491 189 R N 0.185 120.759 120.500 0.122 0.000 3.305 189 R HA -0.135 4.208 4.340 0.005 0.000 0.268 189 R C 1.119 177.522 176.300 0.172 0.000 1.087 189 R CA 0.847 57.056 56.100 0.182 0.000 0.725 189 R CB -3.026 27.390 30.300 0.194 0.000 1.233 189 R HN 0.294 nan 8.270 nan 0.000 0.416 190 S N 0.098 115.895 115.700 0.162 0.000 2.349 190 S HA 0.016 4.489 4.470 0.005 0.000 0.216 190 S C 1.196 175.852 174.600 0.093 0.000 1.033 190 S CA 0.825 59.093 58.200 0.113 0.000 1.021 190 S CB 0.168 63.432 63.200 0.107 0.000 0.968 190 S HN 0.432 nan 8.310 nan 0.000 0.426 191 I N 1.848 122.490 120.570 0.119 0.000 2.588 191 I HA 0.136 4.308 4.170 0.005 0.000 0.283 191 I C 0.238 176.396 176.117 0.067 0.000 1.119 191 I CA -0.142 61.148 61.300 -0.017 0.000 1.419 191 I CB 1.086 38.984 38.000 -0.170 0.000 1.394 191 I HN 0.199 nan 8.210 nan 0.000 0.562 192 S N 5.717 121.384 115.700 -0.055 0.000 2.422 192 S HA 0.399 4.872 4.470 0.005 0.000 0.308 192 S C -1.024 173.595 174.600 0.032 0.000 1.097 192 S CA -0.594 57.651 58.200 0.075 0.000 1.099 192 S CB 0.228 63.448 63.200 0.033 0.000 0.976 192 S HN 0.387 nan 8.310 nan 0.000 0.471 193 W N 2.933 124.384 121.300 0.252 0.000 2.516 193 W HA 0.630 5.292 4.660 0.004 0.000 0.343 193 W C 0.290 177.123 176.519 0.523 0.000 1.094 193 W CA -0.331 57.239 57.345 0.374 0.000 1.250 193 W CB 1.554 31.287 29.460 0.455 0.000 1.308 193 W HN 0.678 nan 8.180 nan 0.000 0.588 194 S N 0.820 116.917 115.700 0.662 0.000 2.537 194 S HA 0.734 5.207 4.470 0.005 0.000 0.270 194 S C -1.758 172.938 174.600 0.160 0.000 1.142 194 S CA -0.985 57.417 58.200 0.338 0.000 0.870 194 S CB 1.600 65.007 63.200 0.346 0.000 1.112 194 S HN 0.536 nan 8.310 nan 0.000 0.466 195 V N 3.003 122.804 119.914 -0.187 0.000 2.769 195 V HA 0.647 4.770 4.120 0.005 0.000 0.312 195 V C -1.202 174.893 176.094 0.002 0.000 1.061 195 V CA -1.283 60.941 62.300 -0.125 0.000 0.931 195 V CB 1.616 33.230 31.823 -0.349 0.000 1.010 195 V HN 0.983 nan 8.190 nan 0.000 0.433 196 I N 6.399 126.987 120.570 0.029 0.000 2.307 196 I HA 0.362 4.535 4.170 0.005 0.000 0.287 196 I C 0.418 176.738 176.117 0.338 0.000 1.054 196 I CA -0.330 61.057 61.300 0.146 0.000 1.218 196 I CB 1.157 39.258 38.000 0.169 0.000 1.398 196 I HN 0.777 nan 8.210 nan 0.000 0.475 197 D N 7.331 127.942 120.400 0.352 0.000 2.339 197 D HA 0.030 4.673 4.640 0.005 0.000 0.217 197 D C 0.404 177.024 176.300 0.533 0.000 1.050 197 D CA -0.068 54.208 54.000 0.459 0.000 0.856 197 D CB 0.599 41.667 40.800 0.447 0.000 0.922 197 D HN 0.627 nan 8.370 nan 0.000 0.518 198 R N -1.039 119.768 120.500 0.512 0.000 3.321 198 R HA 0.237 4.580 4.340 0.005 0.000 0.271 198 R C -1.877 174.759 176.300 0.560 0.000 0.994 198 R CA -1.012 55.348 56.100 0.434 0.000 0.920 198 R CB -0.257 30.254 30.300 0.352 0.000 1.271 198 R HN 0.125 nan 8.270 nan 0.000 0.531 199 W N 0.106 121.502 121.300 0.160 0.000 0.885 199 W HA 0.303 4.964 4.660 0.002 0.000 0.320 199 W C -2.880 173.700 176.519 0.102 0.000 0.884 199 W CA -1.861 55.570 57.345 0.143 0.000 1.281 199 W CB -0.372 29.195 29.460 0.178 0.000 1.324 199 W HN 0.430 nan 8.180 nan 0.000 0.495 200 P HA -0.168 nan 4.420 nan 0.000 0.216 200 P C 1.415 178.809 177.300 0.158 0.000 1.150 200 P CA 3.317 66.473 63.100 0.094 0.000 0.843 200 P CB 0.098 31.905 31.700 0.178 0.000 0.787 201 T N -5.037 109.638 114.554 0.201 0.000 3.448 201 T HA 0.140 4.493 4.350 0.005 0.000 0.271 201 T C 0.104 174.940 174.700 0.226 0.000 1.002 201 T CA -0.821 61.394 62.100 0.192 0.000 0.995 201 T CB -1.118 67.837 68.868 0.144 0.000 1.153 201 T HN -0.038 nan 8.240 nan 0.000 0.510 202 N N 1.746 120.642 118.700 0.327 0.000 2.458 202 N HA -0.023 4.720 4.740 0.005 0.000 0.258 202 N C 0.967 176.623 175.510 0.243 0.000 1.219 202 N CA 0.175 53.414 53.050 0.316 0.000 0.902 202 N CB 0.877 39.648 38.487 0.474 0.000 1.076 202 N HN 0.452 nan 8.380 nan 0.000 0.455 203 E N 3.100 123.399 120.200 0.166 0.000 2.049 203 E HA -0.208 4.145 4.350 0.005 0.000 0.198 203 E C 1.719 178.407 176.600 0.147 0.000 1.007 203 E CA 1.778 58.256 56.400 0.130 0.000 0.809 203 E CB -0.427 29.325 29.700 0.086 0.000 0.749 203 E HN 0.866 nan 8.360 nan 0.000 0.450 204 G N 1.680 110.573 108.800 0.154 0.000 2.440 204 G HA2 -0.266 3.696 3.960 0.005 0.000 0.218 204 G HA3 -0.266 3.696 3.960 0.005 0.000 0.218 204 G C 1.614 176.663 174.900 0.247 0.000 1.154 204 G CA 0.833 46.035 45.100 0.170 0.000 0.767 204 G HN 0.145 nan 8.290 nan 0.000 0.552 205 L N 0.671 122.101 121.223 0.345 0.000 1.994 205 L HA -0.052 4.291 4.340 0.005 0.000 0.208 205 L C 2.676 179.723 176.870 0.295 0.000 1.071 205 L CA 1.461 56.515 54.840 0.356 0.000 0.745 205 L CB -0.336 42.013 42.059 0.483 0.000 0.892 205 L HN 0.110 nan 8.230 nan 0.000 0.431 206 I N -0.019 120.710 120.570 0.265 0.000 2.099 206 I HA -0.333 3.840 4.170 0.005 0.000 0.239 206 I C 2.539 178.761 176.117 0.175 0.000 1.066 206 I CA 1.721 63.151 61.300 0.217 0.000 1.324 206 I CB -1.444 36.639 38.000 0.139 0.000 1.037 206 I HN 0.431 nan 8.210 nan 0.000 0.401 207 K N 0.890 121.367 120.400 0.129 0.000 2.074 207 K HA -0.212 4.110 4.320 0.005 0.000 0.209 207 K C 2.171 178.821 176.600 0.083 0.000 1.048 207 K CA 1.742 58.083 56.287 0.090 0.000 0.926 207 K CB -0.025 32.520 32.500 0.074 0.000 0.713 207 K HN 0.300 nan 8.250 nan 0.000 0.444 208 A N 0.856 123.724 122.820 0.080 0.000 1.834 208 A HA -0.163 4.160 4.320 0.005 0.000 0.216 208 A C 1.990 179.571 177.584 -0.005 0.000 1.203 208 A CA 1.629 53.667 52.037 0.002 0.000 0.621 208 A CB -1.187 17.769 19.000 -0.073 0.000 0.841 208 A HN 0.402 nan 8.150 nan 0.000 0.446 209 F N 0.878 120.823 119.950 -0.008 0.000 2.111 209 F HA -0.284 4.242 4.527 -0.002 0.000 0.300 209 F C 2.914 178.702 175.800 -0.021 0.000 1.088 209 F CA 1.576 59.561 58.000 -0.024 0.000 1.243 209 F CB -0.165 38.837 39.000 0.004 0.000 0.996 209 F HN 0.192 nan 8.300 nan 0.000 0.483 210 S N -0.166 115.645 115.700 0.185 0.000 2.363 210 S HA -0.249 4.224 4.470 0.005 0.000 0.218 210 S C 1.786 176.416 174.600 0.049 0.000 1.035 210 S CA 1.658 59.907 58.200 0.082 0.000 1.043 210 S CB -0.506 62.721 63.200 0.045 0.000 0.986 210 S HN 0.405 nan 8.310 nan 0.000 0.423 211 E N 0.973 121.197 120.200 0.041 0.000 2.086 211 E HA -0.213 4.139 4.350 0.005 0.000 0.200 211 E C 1.947 178.560 176.600 0.022 0.000 1.012 211 E CA 1.429 57.844 56.400 0.024 0.000 0.812 211 E CB -0.281 29.431 29.700 0.021 0.000 0.743 211 E HN 0.332 nan 8.360 nan 0.000 0.453 212 N N 0.211 118.924 118.700 0.023 0.000 2.223 212 N HA -0.103 4.640 4.740 0.005 0.000 0.185 212 N C 1.646 177.174 175.510 0.030 0.000 1.016 212 N CA 0.850 53.909 53.050 0.016 0.000 0.863 212 N CB 0.016 38.496 38.487 -0.010 0.000 0.983 212 N HN 0.158 nan 8.380 nan 0.000 0.429 213 I N -0.483 120.108 120.570 0.035 0.000 2.406 213 I HA -0.172 4.001 4.170 0.005 0.000 0.249 213 I C 1.717 177.832 176.117 -0.003 0.000 1.122 213 I CA 0.883 62.181 61.300 -0.004 0.000 1.431 213 I CB -0.300 37.674 38.000 -0.043 0.000 1.087 213 I HN 0.126 nan 8.210 nan 0.000 0.424 214 T N 1.629 116.186 114.554 0.004 0.000 2.674 214 T HA -0.195 4.158 4.350 0.005 0.000 0.265 214 T C 1.836 176.551 174.700 0.025 0.000 1.039 214 T CA 1.754 63.857 62.100 0.006 0.000 1.150 214 T CB -0.251 68.620 68.868 0.005 0.000 0.864 214 T HN 0.452 nan 8.240 nan 0.000 0.427 215 K N 1.081 121.497 120.400 0.027 0.000 2.147 215 K HA -0.054 4.269 4.320 0.005 0.000 0.205 215 K C 2.186 178.817 176.600 0.053 0.000 1.049 215 K CA 1.280 57.588 56.287 0.035 0.000 0.936 215 K CB -0.129 32.387 32.500 0.026 0.000 0.722 215 K HN 0.062 nan 8.250 nan 0.000 0.446 216 K N 1.509 121.946 120.400 0.061 0.000 2.211 216 K HA 0.075 4.398 4.320 0.005 0.000 0.203 216 K C 1.810 178.521 176.600 0.186 0.000 1.050 216 K CA 0.833 57.179 56.287 0.098 0.000 0.945 216 K CB -0.137 32.421 32.500 0.096 0.000 0.732 216 K HN 0.219 nan 8.250 nan 0.000 0.451 217 L N 0.635 121.949 121.223 0.152 0.000 2.465 217 L HA -0.087 4.255 4.340 0.005 0.000 0.224 217 L C 1.970 178.966 176.870 0.210 0.000 1.145 217 L CA 0.627 55.586 54.840 0.198 0.000 0.834 217 L CB -0.197 41.883 42.059 0.035 0.000 0.944 217 L HN 0.274 nan 8.230 nan 0.000 0.451 218 Q N -0.072 119.808 119.800 0.134 0.000 2.297 218 Q HA -0.160 4.183 4.340 0.005 0.000 0.204 218 Q C 1.520 177.577 176.000 0.096 0.000 0.962 218 Q CA 0.915 56.776 55.803 0.097 0.000 0.879 218 Q CB 0.110 28.883 28.738 0.058 0.000 0.947 218 Q HN 0.613 nan 8.270 nan 0.000 0.462 219 E N -0.287 119.971 120.200 0.096 0.000 2.418 219 E HA -0.031 4.322 4.350 0.005 0.000 0.197 219 E C -0.270 176.285 176.600 -0.074 0.000 1.026 219 E CA 0.114 56.507 56.400 -0.012 0.000 0.862 219 E CB 0.161 29.812 29.700 -0.081 0.000 0.799 219 E HN 0.116 nan 8.360 nan 0.000 0.518 220 F N 0.906 120.868 119.950 0.020 0.000 2.379 220 F HA 0.247 4.784 4.527 0.017 0.000 0.332 220 F C -1.978 173.833 175.800 0.019 0.000 1.096 220 F CA -2.933 55.081 58.000 0.024 0.000 1.105 220 F CB 0.513 39.526 39.000 0.021 0.000 1.189 220 F HN -0.272 nan 8.300 nan 0.000 0.515 221 P HA -0.042 nan 4.420 nan 0.000 0.264 221 P C 0.507 177.876 177.300 0.115 0.000 1.193 221 P CA 0.085 63.255 63.100 0.117 0.000 0.763 221 P CB 0.631 32.389 31.700 0.097 0.000 0.810 222 Q N 5.842 125.689 119.800 0.078 0.000 2.082 222 Q HA -0.204 4.138 4.340 0.005 0.000 0.211 222 Q C -0.898 175.132 176.000 0.049 0.000 1.002 222 Q CA 2.713 58.552 55.803 0.059 0.000 0.868 222 Q CB -2.050 26.713 28.738 0.042 0.000 0.931 222 Q HN 0.382 nan 8.270 nan 0.000 0.414 223 P HA -0.076 nan 4.420 nan 0.000 0.229 223 P C 0.705 178.026 177.300 0.036 0.000 1.150 223 P CA 0.917 64.039 63.100 0.036 0.000 0.765 223 P CB 0.072 31.793 31.700 0.035 0.000 0.783 224 V N -2.429 117.514 119.914 0.048 0.000 3.497 224 V HA 0.145 4.268 4.120 0.005 0.000 0.272 224 V C 2.242 178.329 176.094 -0.012 0.000 1.474 224 V CA -0.123 62.198 62.300 0.034 0.000 1.025 224 V CB -0.314 31.558 31.823 0.082 0.000 0.820 224 V HN -0.074 nan 8.190 nan 0.000 0.437 225 R N 1.299 121.806 120.500 0.012 0.000 2.134 225 R HA -0.251 4.092 4.340 0.005 0.000 0.248 225 R C 1.521 177.768 176.300 -0.088 0.000 1.143 225 R CA 2.488 58.569 56.100 -0.032 0.000 0.957 225 R CB -0.138 30.176 30.300 0.023 0.000 0.867 225 R HN 0.457 nan 8.270 nan 0.000 0.441 226 D N -0.512 119.858 120.400 -0.049 0.000 2.363 226 D HA -0.054 4.589 4.640 0.005 0.000 0.226 226 D C 0.985 177.248 176.300 -0.061 0.000 1.020 226 D CA 0.872 54.843 54.000 -0.047 0.000 0.892 226 D CB 0.234 41.024 40.800 -0.017 0.000 0.900 226 D HN 0.370 nan 8.370 nan 0.000 0.531 227 K N -0.197 120.152 120.400 -0.085 0.000 2.348 227 K HA 0.116 4.439 4.320 0.005 0.000 0.194 227 K C 0.497 177.009 176.600 -0.148 0.000 1.052 227 K CA -0.070 56.166 56.287 -0.086 0.000 1.004 227 K CB 1.057 33.525 32.500 -0.053 0.000 0.873 227 K HN -0.116 nan 8.250 nan 0.000 0.523 228 V N 2.943 122.700 119.914 -0.262 0.000 2.557 228 V HA -0.062 4.061 4.120 0.005 0.000 0.301 228 V C 0.366 176.289 176.094 -0.285 0.000 1.026 228 V CA 0.091 62.150 62.300 -0.401 0.000 1.137 228 V CB 0.676 32.008 31.823 -0.818 0.000 0.917 228 V HN -0.052 nan 8.190 nan 0.000 0.484 229 V N 7.346 127.108 119.914 -0.253 0.000 2.508 229 V HA 0.166 4.289 4.120 0.005 0.000 0.281 229 V C 0.321 176.250 176.094 -0.276 0.000 1.041 229 V CA -0.218 61.958 62.300 -0.206 0.000 1.016 229 V CB 1.089 32.794 31.823 -0.197 0.000 0.984 229 V HN 0.595 nan 8.190 nan 0.000 0.478 230 L N 6.876 127.986 121.223 -0.188 0.000 2.288 230 L HA 0.415 4.758 4.340 0.005 0.000 0.283 230 L C -0.309 176.401 176.870 -0.266 0.000 1.072 230 L CA -0.169 54.497 54.840 -0.291 0.000 0.862 230 L CB 0.338 42.257 42.059 -0.233 0.000 1.245 230 L HN 0.442 nan 8.230 nan 0.000 0.432 231 L N 3.903 124.859 121.223 -0.444 0.000 2.283 231 L HA 0.304 4.647 4.340 0.005 0.000 0.287 231 L C -0.458 176.238 176.870 -0.289 0.000 1.073 231 L CA -0.264 54.379 54.840 -0.328 0.000 0.822 231 L CB 0.195 41.930 42.059 -0.541 0.000 1.186 231 L HN 0.380 nan 8.230 nan 0.000 0.436 232 F N 1.811 121.633 119.950 -0.214 0.000 2.404 232 F HA 0.147 4.684 4.527 0.017 0.000 0.359 232 F C 0.979 176.634 175.800 -0.241 0.000 1.134 232 F CA -0.005 57.861 58.000 -0.223 0.000 1.160 232 F CB 0.998 39.841 39.000 -0.263 0.000 1.186 232 F HN 0.346 nan 8.300 nan 0.000 0.526 233 S N 3.208 118.908 115.700 -0.000 0.000 2.422 233 S HA 0.791 5.264 4.470 0.005 0.000 0.298 233 S C -0.212 174.416 174.600 0.046 0.000 1.118 233 S CA -0.503 57.705 58.200 0.013 0.000 1.083 233 S CB 0.045 63.329 63.200 0.141 0.000 0.971 233 S HN 0.699 nan 8.310 nan 0.000 0.478 234 A N 4.384 127.205 122.820 0.001 0.000 2.355 234 A HA 0.530 4.852 4.320 0.005 0.000 0.324 234 A C -0.312 177.549 177.584 0.463 0.000 1.117 234 A CA -0.693 51.470 52.037 0.210 0.000 0.785 234 A CB 0.534 19.587 19.000 0.088 0.000 1.254 234 A HN 0.933 nan 8.150 nan 0.000 0.453 235 H N 1.550 120.871 119.070 0.420 0.000 3.070 235 H HA 0.079 4.638 4.556 0.004 0.000 0.313 235 H C 0.950 176.602 175.328 0.540 0.000 0.997 235 H CA 1.325 57.598 56.048 0.375 0.000 1.438 235 H CB 0.752 30.651 29.762 0.229 0.000 1.455 235 H HN 0.707 nan 8.280 nan 0.000 0.575 236 S N 3.399 119.449 115.700 0.582 0.000 2.634 236 S HA 0.358 4.830 4.470 0.005 0.000 0.254 236 S C -0.014 174.947 174.600 0.602 0.000 1.299 236 S CA -0.521 58.038 58.200 0.598 0.000 0.974 236 S CB 0.371 63.891 63.200 0.534 0.000 1.001 236 S HN 0.590 nan 8.310 nan 0.000 0.584 237 L N 1.533 122.929 121.223 0.288 0.000 2.445 237 L HA 0.441 4.784 4.340 0.005 0.000 0.262 237 L C -2.590 173.845 176.870 -0.725 0.000 0.974 237 L CA -2.271 52.451 54.840 -0.196 0.000 0.822 237 L CB 2.548 44.484 42.059 -0.205 0.000 1.339 237 L HN 0.475 nan 8.230 nan 0.000 0.409 238 P HA 0.107 nan 4.420 nan 0.000 0.268 238 P C 0.555 177.459 177.300 -0.660 0.000 1.205 238 P CA -0.337 61.875 63.100 -1.480 0.000 0.771 238 P CB 0.498 31.514 31.700 -1.140 0.000 0.858 239 M N 1.235 120.563 119.600 -0.454 0.000 2.279 239 M HA -0.133 4.350 4.480 0.005 0.000 0.264 239 M C 0.934 177.096 176.300 -0.231 0.000 1.062 239 M CA 1.640 56.783 55.300 -0.262 0.000 1.099 239 M CB -1.257 31.247 32.600 -0.160 0.000 1.394 239 M HN 0.385 nan 8.290 nan 0.000 0.426 240 D N 0.015 120.261 120.400 -0.256 0.000 2.149 240 D HA -0.103 4.540 4.640 0.005 0.000 0.198 240 D C 2.187 178.366 176.300 -0.202 0.000 0.990 240 D CA 1.087 54.967 54.000 -0.199 0.000 0.839 240 D CB 0.017 40.703 40.800 -0.189 0.000 0.948 240 D HN 0.209 nan 8.370 nan 0.000 0.460 241 V N 0.308 120.069 119.914 -0.254 0.000 2.535 241 V HA -0.130 3.992 4.120 0.005 0.000 0.246 241 V C 2.630 178.624 176.094 -0.166 0.000 1.045 241 V CA 0.601 62.773 62.300 -0.213 0.000 1.058 241 V CB -0.198 31.476 31.823 -0.248 0.000 0.689 241 V HN 0.026 nan 8.190 nan 0.000 0.461 242 V N 1.265 121.069 119.914 -0.184 0.000 2.287 242 V HA -0.237 3.886 4.120 0.005 0.000 0.248 242 V C 1.891 177.921 176.094 -0.106 0.000 1.053 242 V CA 2.127 64.344 62.300 -0.138 0.000 1.027 242 V CB -0.819 30.903 31.823 -0.169 0.000 0.646 242 V HN 0.638 nan 8.190 nan 0.000 0.447 243 N N 0.428 119.060 118.700 -0.113 0.000 2.501 243 N HA -0.056 4.687 4.740 0.005 0.000 0.195 243 N C 1.563 177.020 175.510 -0.087 0.000 1.213 243 N CA 1.116 54.112 53.050 -0.090 0.000 0.864 243 N CB -0.180 38.255 38.487 -0.086 0.000 0.999 243 N HN 0.753 nan 8.380 nan 0.000 0.454 244 T N -4.080 110.415 114.554 -0.099 0.000 3.051 244 T HA 0.273 4.626 4.350 0.005 0.000 0.255 244 T C 1.396 176.048 174.700 -0.080 0.000 1.085 244 T CA 0.649 62.686 62.100 -0.106 0.000 1.109 244 T CB 0.331 69.110 68.868 -0.148 0.000 0.921 244 T HN 0.235 nan 8.240 nan 0.000 0.488 245 G N 1.160 109.925 108.800 -0.058 0.000 2.159 245 G HA2 -0.157 3.806 3.960 0.005 0.000 0.170 245 G HA3 -0.157 3.806 3.960 0.005 0.000 0.170 245 G C -0.344 174.557 174.900 0.002 0.000 1.007 245 G CA -0.242 44.840 45.100 -0.030 0.000 0.672 245 G HN 0.686 nan 8.290 nan 0.000 0.507 246 D N 0.181 120.587 120.400 0.009 0.000 2.571 246 D HA 0.421 5.064 4.640 0.005 0.000 0.231 246 D C 1.636 178.016 176.300 0.134 0.000 1.133 246 D CA 1.188 55.242 54.000 0.088 0.000 0.862 246 D CB 0.668 41.506 40.800 0.063 0.000 1.179 246 D HN 0.539 nan 8.370 nan 0.000 0.474 247 A N 3.570 126.521 122.820 0.219 0.000 2.167 247 A HA -0.102 4.220 4.320 0.005 0.000 0.214 247 A C 1.637 179.370 177.584 0.248 0.000 1.151 247 A CA 0.462 52.619 52.037 0.201 0.000 0.735 247 A CB -0.627 18.482 19.000 0.182 0.000 0.802 247 A HN 0.803 nan 8.150 nan 0.000 0.467 248 Y N 1.791 122.186 120.300 0.159 0.000 2.049 248 Y HA -0.171 4.381 4.550 0.003 0.000 0.277 248 Y C -0.683 175.282 175.900 0.110 0.000 1.143 248 Y CA 2.641 60.825 58.100 0.139 0.000 1.115 248 Y CB -1.374 37.133 38.460 0.079 0.000 0.975 248 Y HN 0.280 nan 8.280 nan 0.000 0.487 249 P HA -0.276 nan 4.420 nan 0.000 0.216 249 P C 1.344 178.629 177.300 -0.025 0.000 1.157 249 P CA 2.870 65.916 63.100 -0.091 0.000 0.880 249 P CB -0.381 31.270 31.700 -0.082 0.000 0.791 250 A N -0.550 122.265 122.820 -0.008 0.000 2.014 250 A HA -0.169 4.154 4.320 0.005 0.000 0.218 250 A C 2.126 179.703 177.584 -0.011 0.000 1.163 250 A CA 1.258 53.297 52.037 0.002 0.000 0.652 250 A CB -0.895 18.115 19.000 0.016 0.000 0.808 250 A HN 0.172 nan 8.150 nan 0.000 0.449 251 E N -0.205 119.990 120.200 -0.008 0.000 2.107 251 E HA -0.082 4.271 4.350 0.005 0.000 0.191 251 E C 1.976 178.551 176.600 -0.042 0.000 0.982 251 E CA 1.122 57.556 56.400 0.057 0.000 0.809 251 E CB -0.158 29.659 29.700 0.195 0.000 0.756 251 E HN 0.433 nan 8.360 nan 0.000 0.459 252 V N 1.699 121.387 119.914 -0.378 0.000 2.343 252 V HA -0.256 3.867 4.120 0.005 0.000 0.247 252 V C 2.466 178.365 176.094 -0.324 0.000 1.051 252 V CA 1.786 63.666 62.300 -0.699 0.000 1.036 252 V CB -0.826 30.556 31.823 -0.735 0.000 0.654 252 V HN 0.260 nan 8.190 nan 0.000 0.451 253 A N 0.241 122.953 122.820 -0.181 0.000 1.948 253 A HA -0.207 4.116 4.320 0.005 0.000 0.220 253 A C 2.439 179.980 177.584 -0.071 0.000 1.177 253 A CA 2.379 54.351 52.037 -0.108 0.000 0.636 253 A CB -0.823 18.158 19.000 -0.031 0.000 0.815 253 A HN 0.602 nan 8.150 nan 0.000 0.449 254 A N -1.046 121.755 122.820 -0.032 0.000 1.877 254 A HA -0.091 4.232 4.320 0.005 0.000 0.216 254 A C 2.328 179.930 177.584 0.031 0.000 1.186 254 A CA 2.347 54.398 52.037 0.023 0.000 0.620 254 A CB -1.308 17.725 19.000 0.055 0.000 0.822 254 A HN 0.456 nan 8.150 nan 0.000 0.443 255 T N -0.084 114.479 114.554 0.014 0.000 2.708 255 T HA -0.131 4.222 4.350 0.005 0.000 0.266 255 T C 1.917 176.526 174.700 -0.152 0.000 1.037 255 T CA 1.685 63.790 62.100 0.009 0.000 1.146 255 T CB -0.620 68.321 68.868 0.121 0.000 0.865 255 T HN 0.176 nan 8.240 nan 0.000 0.435 256 V N 0.428 120.156 119.914 -0.310 0.000 2.255 256 V HA -0.226 3.897 4.120 0.005 0.000 0.247 256 V C 2.037 177.802 176.094 -0.549 0.000 1.051 256 V CA 1.813 63.711 62.300 -0.670 0.000 1.018 256 V CB -0.875 30.434 31.823 -0.858 0.000 0.641 256 V HN 0.416 nan 8.190 nan 0.000 0.445 257 Y N 1.511 121.574 120.300 -0.395 0.000 2.053 257 Y HA -0.341 4.213 4.550 0.006 0.000 0.277 257 Y C 2.620 178.353 175.900 -0.278 0.000 1.159 257 Y CA 2.338 60.264 58.100 -0.290 0.000 1.125 257 Y CB -0.665 37.744 38.460 -0.085 0.000 0.969 257 Y HN 0.326 nan 8.280 nan 0.000 0.492 258 N N 0.181 118.862 118.700 -0.031 0.000 2.060 258 N HA -0.257 4.486 4.740 0.005 0.000 0.195 258 N C 1.790 177.176 175.510 -0.205 0.000 1.028 258 N CA 2.228 55.239 53.050 -0.065 0.000 0.861 258 N CB -0.499 38.004 38.487 0.026 0.000 1.029 258 N HN 0.492 nan 8.380 nan 0.000 0.428 259 I N -0.288 120.146 120.570 -0.227 0.000 2.264 259 I HA -0.267 3.906 4.170 0.005 0.000 0.248 259 I C 1.739 177.628 176.117 -0.379 0.000 1.111 259 I CA 0.805 61.981 61.300 -0.206 0.000 1.382 259 I CB -0.174 37.764 38.000 -0.103 0.000 1.060 259 I HN 0.282 nan 8.210 nan 0.000 0.418 260 M N -0.381 118.801 119.600 -0.696 0.000 2.319 260 M HA -0.153 4.330 4.480 0.005 0.000 0.265 260 M C 2.163 177.664 176.300 -1.331 0.000 1.068 260 M CA 1.524 56.162 55.300 -1.103 0.000 1.118 260 M CB -1.036 30.558 32.600 -1.677 0.000 1.395 260 M HN 0.313 nan 8.290 nan 0.000 0.435 261 Q N -0.168 119.037 119.800 -0.991 0.000 2.046 261 Q HA -0.139 4.203 4.340 0.005 0.000 0.200 261 Q C 2.190 177.989 176.000 -0.335 0.000 0.975 261 Q CA 0.964 56.415 55.803 -0.586 0.000 0.836 261 Q CB -0.147 28.439 28.738 -0.253 0.000 0.896 261 Q HN 0.246 nan 8.270 nan 0.000 0.428 262 K N 1.142 121.385 120.400 -0.261 0.000 2.152 262 K HA -0.126 4.197 4.320 0.005 0.000 0.206 262 K C 1.511 178.018 176.600 -0.155 0.000 1.048 262 K CA 1.121 57.322 56.287 -0.145 0.000 0.933 262 K CB -0.081 32.365 32.500 -0.091 0.000 0.721 262 K HN 0.254 nan 8.250 nan 0.000 0.447 263 L N 0.666 121.741 121.223 -0.247 0.000 2.611 263 L HA 0.085 4.428 4.340 0.005 0.000 0.229 263 L C 0.253 177.008 176.870 -0.190 0.000 1.137 263 L CA 0.052 54.774 54.840 -0.197 0.000 0.901 263 L CB -0.090 41.845 42.059 -0.207 0.000 1.098 263 L HN 0.103 nan 8.230 nan 0.000 0.456 264 K N -0.188 120.084 120.400 -0.213 0.000 3.035 264 K HA -0.243 4.080 4.320 0.005 0.000 0.262 264 K C -0.261 176.380 176.600 0.068 0.000 1.024 264 K CA 0.345 56.604 56.287 -0.047 0.000 0.748 264 K CB -2.061 30.445 32.500 0.010 0.000 1.247 264 K HN 0.188 nan 8.250 nan 0.000 0.482 265 F N -1.087 118.801 119.950 -0.103 0.000 2.907 265 F HA -0.319 4.212 4.527 0.008 0.000 0.244 265 F C 1.535 177.325 175.800 -0.017 0.000 1.007 265 F CA 1.505 59.468 58.000 -0.063 0.000 0.872 265 F CB -1.260 37.716 39.000 -0.041 0.000 0.767 265 F HN 0.243 nan 8.300 nan 0.000 0.837 266 K N -0.513 119.917 120.400 0.050 0.000 2.103 266 K HA -0.056 4.267 4.320 0.005 0.000 0.204 266 K C 0.654 177.279 176.600 0.042 0.000 1.052 266 K CA 1.431 57.742 56.287 0.039 0.000 0.945 266 K CB 0.106 32.603 32.500 -0.005 0.000 0.722 266 K HN 0.399 nan 8.250 nan 0.000 0.443 267 N N -0.297 118.428 118.700 0.041 0.000 2.531 267 N HA 0.311 5.054 4.740 0.005 0.000 0.290 267 N C -2.764 172.816 175.510 0.116 0.000 1.257 267 N CA -1.736 51.334 53.050 0.032 0.000 0.863 267 N CB 1.103 39.567 38.487 -0.038 0.000 1.320 267 N HN -0.215 nan 8.380 nan 0.000 0.538 268 P HA 0.262 nan 4.420 nan 0.000 0.277 268 P C -1.377 176.009 177.300 0.143 0.000 1.240 268 P CA -0.083 63.063 63.100 0.078 0.000 0.798 268 P CB 0.383 32.072 31.700 -0.018 0.000 0.979 269 Y N -0.762 119.563 120.300 0.042 0.000 2.644 269 Y HA 0.903 5.455 4.550 0.003 0.000 0.338 269 Y C -0.908 175.023 175.900 0.051 0.000 1.119 269 Y CA -1.456 56.698 58.100 0.091 0.000 1.060 269 Y CB 1.618 40.216 38.460 0.231 0.000 1.294 269 Y HN 0.209 nan 8.280 nan 0.000 0.472 270 R N 1.502 122.063 120.500 0.101 0.000 2.604 270 R HA 0.508 4.850 4.340 0.005 0.000 0.261 270 R C -2.641 173.679 176.300 0.034 0.000 1.080 270 R CA -0.694 55.368 56.100 -0.064 0.000 0.917 270 R CB 1.689 31.922 30.300 -0.113 0.000 1.252 270 R HN 0.930 nan 8.270 nan 0.000 0.456 271 L N 5.568 126.732 121.223 -0.098 0.000 2.261 271 L HA 0.654 4.997 4.340 0.005 0.000 0.289 271 L C -0.844 175.742 176.870 -0.474 0.000 1.059 271 L CA -0.323 54.344 54.840 -0.287 0.000 0.816 271 L CB 0.983 42.832 42.059 -0.350 0.000 1.191 271 L HN 0.507 nan 8.230 nan 0.000 0.431 272 V N 1.933 121.522 119.914 -0.542 0.000 3.158 272 V HA 0.768 4.891 4.120 0.005 0.000 0.315 272 V C -1.218 174.439 176.094 -0.728 0.000 1.148 272 V CA -0.953 61.034 62.300 -0.522 0.000 1.042 272 V CB 1.610 33.352 31.823 -0.135 0.000 1.101 272 V HN 0.761 nan 8.190 nan 0.000 0.448 273 W N 0.350 121.704 121.300 0.089 0.000 2.883 273 W HA 0.795 5.460 4.660 0.010 0.000 0.335 273 W C -0.086 176.470 176.519 0.061 0.000 1.083 273 W CA -0.456 56.951 57.345 0.103 0.000 1.233 273 W CB 1.503 31.046 29.460 0.138 0.000 1.412 273 W HN 0.895 nan 8.180 nan 0.000 0.490 274 Q N 0.033 119.969 119.800 0.226 0.000 3.018 274 Q HA 0.715 5.057 4.340 0.005 0.000 0.209 274 Q C 0.805 176.723 176.000 -0.135 0.000 1.036 274 Q CA -0.305 55.524 55.803 0.045 0.000 0.886 274 Q CB 0.985 29.735 28.738 0.019 0.000 2.058 274 Q HN 0.403 nan 8.270 nan 0.000 0.452 275 S N -1.116 114.427 115.700 -0.261 0.000 2.083 275 S HA -0.297 4.176 4.470 0.005 0.000 0.220 275 S C 0.028 174.302 174.600 -0.544 0.000 1.119 275 S CA 1.665 59.569 58.200 -0.492 0.000 1.692 275 S CB -1.427 61.005 63.200 -1.280 0.000 2.260 275 S HN 0.707 nan 8.310 nan 0.000 0.584 276 Q N 0.793 120.152 119.800 -0.735 0.000 2.493 276 Q HA 0.162 4.505 4.340 0.005 0.000 0.342 276 Q C 0.120 175.528 176.000 -0.986 0.000 1.345 276 Q CA 1.030 55.903 55.803 -1.550 0.000 1.045 276 Q CB 0.108 28.004 28.738 -1.404 0.000 1.295 276 Q HN 0.832 nan 8.270 nan 0.000 0.462 277 V N -4.182 115.120 119.914 -1.020 0.000 3.120 277 V HA 0.861 4.984 4.120 0.005 0.000 0.303 277 V C 0.018 176.097 176.094 -0.026 0.000 1.238 277 V CA -0.304 61.835 62.300 -0.269 0.000 1.008 277 V CB 1.294 33.138 31.823 0.034 0.000 1.064 277 V HN 1.415 nan 8.190 nan 0.000 0.434 278 G N 3.329 112.152 108.800 0.037 0.000 2.877 278 G HA2 -0.084 3.879 3.960 0.005 0.000 0.279 278 G HA3 -0.084 3.879 3.960 0.005 0.000 0.279 278 G C -1.690 173.271 174.900 0.102 0.000 1.431 278 G CA 0.191 45.349 45.100 0.097 0.000 0.883 278 G HN 0.932 nan 8.290 nan 0.000 0.547 279 P HA 0.062 nan 4.420 nan 0.000 0.220 279 P C 0.875 178.258 177.300 0.139 0.000 1.152 279 P CA 1.258 64.410 63.100 0.088 0.000 0.812 279 P CB -0.001 31.731 31.700 0.054 0.000 0.792 280 K N 0.748 121.262 120.400 0.190 0.000 2.561 280 K HA 0.011 4.333 4.320 0.005 0.000 0.280 280 K C -2.572 174.213 176.600 0.309 0.000 0.975 280 K CA -0.875 55.531 56.287 0.198 0.000 1.024 280 K CB -1.432 31.182 32.500 0.189 0.000 0.883 280 K HN 0.068 nan 8.250 nan 0.000 0.496 281 P HA 0.204 nan 4.420 nan 0.000 0.274 281 P C -0.959 176.475 177.300 0.224 0.000 1.231 281 P CA -0.242 62.975 63.100 0.196 0.000 0.790 281 P CB 0.383 32.119 31.700 0.060 0.000 0.951 282 W N 1.039 122.317 121.300 -0.036 0.000 2.967 282 W HA 0.507 5.170 4.660 0.005 0.000 0.342 282 W C -0.297 176.157 176.519 -0.110 0.000 1.162 282 W CA -0.531 56.778 57.345 -0.061 0.000 1.085 282 W CB 0.162 29.605 29.460 -0.029 0.000 1.460 282 W HN 0.173 nan 8.180 nan 0.000 0.584 283 L N 1.952 123.184 121.223 0.016 0.000 2.476 283 L HA 0.639 4.982 4.340 0.005 0.000 0.255 283 L C 1.212 177.932 176.870 -0.250 0.000 1.218 283 L CA 1.342 56.022 54.840 -0.268 0.000 0.819 283 L CB -0.252 41.404 42.059 -0.672 0.000 1.119 283 L HN 0.776 nan 8.230 nan 0.000 0.485 284 G N 1.550 110.186 108.800 -0.273 0.000 2.530 284 G HA2 -0.155 3.808 3.960 0.005 0.000 0.405 284 G HA3 -0.155 3.808 3.960 0.005 0.000 0.405 284 G C -0.097 174.987 174.900 0.307 0.000 1.363 284 G CA 0.201 45.414 45.100 0.190 0.000 0.927 284 G HN 1.441 nan 8.290 nan 0.000 0.525 285 A N -0.702 122.370 122.820 0.419 0.000 2.309 285 A HA 0.638 4.961 4.320 0.005 0.000 0.298 285 A C 0.494 178.240 177.584 0.271 0.000 1.165 285 A CA -0.024 52.150 52.037 0.229 0.000 0.821 285 A CB 0.573 19.646 19.000 0.122 0.000 1.102 285 A HN 0.662 nan 8.150 nan 0.000 0.500 286 Q N 1.200 121.108 119.800 0.180 0.000 2.337 286 Q HA 0.110 4.453 4.340 0.005 0.000 0.270 286 Q C 0.842 176.922 176.000 0.132 0.000 1.002 286 Q CA 0.253 56.151 55.803 0.159 0.000 0.888 286 Q CB 0.606 29.399 28.738 0.091 0.000 1.222 286 Q HN 0.859 nan 8.270 nan 0.000 0.400 287 T N 1.837 116.471 114.554 0.133 0.000 2.652 287 T HA -0.260 4.093 4.350 0.005 0.000 0.267 287 T C 1.783 176.570 174.700 0.146 0.000 1.039 287 T CA 1.463 63.647 62.100 0.140 0.000 1.153 287 T CB -0.245 68.713 68.868 0.150 0.000 0.863 287 T HN 0.762 nan 8.240 nan 0.000 0.428 288 A N 1.933 124.811 122.820 0.098 0.000 1.869 288 A HA -0.271 4.052 4.320 0.005 0.000 0.218 288 A C 2.219 179.874 177.584 0.119 0.000 1.203 288 A CA 2.213 54.303 52.037 0.088 0.000 0.638 288 A CB -0.834 18.196 19.000 0.050 0.000 0.831 288 A HN 0.647 nan 8.150 nan 0.000 0.450 289 E N -0.608 119.653 120.200 0.102 0.000 2.038 289 E HA -0.176 4.176 4.350 0.005 0.000 0.195 289 E C 2.009 178.695 176.600 0.144 0.000 1.000 289 E CA 1.212 57.678 56.400 0.110 0.000 0.803 289 E CB -0.330 29.412 29.700 0.069 0.000 0.750 289 E HN 0.536 nan 8.360 nan 0.000 0.448 290 I N 1.410 122.051 120.570 0.118 0.000 2.151 290 I HA -0.298 3.875 4.170 0.005 0.000 0.243 290 I C 2.560 178.774 176.117 0.162 0.000 1.080 290 I CA 1.411 62.785 61.300 0.125 0.000 1.339 290 I CB -1.445 36.595 38.000 0.066 0.000 1.039 290 I HN 0.061 nan 8.210 nan 0.000 0.409 291 A N 0.232 123.148 122.820 0.159 0.000 1.865 291 A HA -0.275 4.048 4.320 0.005 0.000 0.217 291 A C 2.386 180.105 177.584 0.225 0.000 1.191 291 A CA 2.062 54.201 52.037 0.170 0.000 0.623 291 A CB -0.824 18.358 19.000 0.303 0.000 0.826 291 A HN 0.517 nan 8.150 nan 0.000 0.444 292 E N -1.608 118.733 120.200 0.234 0.000 2.110 292 E HA -0.199 4.154 4.350 0.005 0.000 0.193 292 E C 1.738 178.446 176.600 0.181 0.000 0.988 292 E CA 1.299 57.829 56.400 0.217 0.000 0.804 292 E CB -0.230 29.584 29.700 0.190 0.000 0.745 292 E HN 0.623 nan 8.360 nan 0.000 0.458 293 F N 0.740 120.721 119.950 0.052 0.000 2.206 293 F HA -0.060 4.469 4.527 0.004 0.000 0.298 293 F C 1.760 177.557 175.800 -0.006 0.000 1.090 293 F CA 1.094 59.109 58.000 0.025 0.000 1.323 293 F CB 0.016 39.029 39.000 0.021 0.000 1.028 293 F HN -0.010 nan 8.300 nan 0.000 0.492 294 L N -0.436 120.795 121.223 0.013 0.000 2.179 294 L HA 0.003 4.346 4.340 0.005 0.000 0.208 294 L C 2.783 179.540 176.870 -0.188 0.000 1.096 294 L CA 0.869 55.640 54.840 -0.116 0.000 0.779 294 L CB -1.561 40.482 42.059 -0.027 0.000 0.922 294 L HN 0.324 nan 8.230 nan 0.000 0.443 295 G N 1.558 110.255 108.800 -0.173 0.000 2.703 295 G HA2 -0.292 3.670 3.960 0.005 0.000 0.222 295 G HA3 -0.292 3.670 3.960 0.005 0.000 0.222 295 G C -0.763 173.681 174.900 -0.760 0.000 1.183 295 G CA 1.244 45.989 45.100 -0.592 0.000 0.775 295 G HN 0.316 nan 8.290 nan 0.000 0.615 296 P HA 0.032 nan 4.420 nan 0.000 0.218 296 P C 1.357 178.592 177.300 -0.108 0.000 1.149 296 P CA 1.386 64.407 63.100 -0.131 0.000 0.817 296 P CB 0.046 31.690 31.700 -0.094 0.000 0.785 297 K N -1.186 119.109 120.400 -0.175 0.000 2.374 297 K HA 0.119 4.441 4.320 0.005 0.000 0.196 297 K C 0.616 177.174 176.600 -0.069 0.000 1.023 297 K CA 0.092 56.306 56.287 -0.122 0.000 1.103 297 K CB 0.043 32.443 32.500 -0.167 0.000 0.848 297 K HN 0.112 nan 8.250 nan 0.000 0.528 298 V N -3.014 116.867 119.914 -0.055 0.000 3.019 298 V HA 0.380 4.503 4.120 0.005 0.000 0.317 298 V C 0.074 176.196 176.094 0.046 0.000 1.094 298 V CA -0.771 61.519 62.300 -0.017 0.000 1.000 298 V CB 2.146 33.947 31.823 -0.036 0.000 1.060 298 V HN -0.112 nan 8.190 nan 0.000 0.443 299 D N 1.456 121.880 120.400 0.041 0.000 2.271 299 D HA 0.310 4.953 4.640 0.005 0.000 0.206 299 D C 0.721 177.120 176.300 0.166 0.000 0.967 299 D CA 1.761 55.814 54.000 0.089 0.000 0.867 299 D CB 1.065 41.893 40.800 0.047 0.000 0.960 299 D HN 1.022 nan 8.370 nan 0.000 0.509 300 G N -0.128 108.727 108.800 0.093 0.000 2.579 300 G HA2 0.523 4.486 3.960 0.005 0.000 0.292 300 G HA3 0.523 4.486 3.960 0.005 0.000 0.292 300 G C -1.903 172.963 174.900 -0.057 0.000 1.484 300 G CA -0.647 44.558 45.100 0.175 0.000 0.813 300 G HN 0.008 nan 8.290 nan 0.000 0.515 301 L N 0.929 122.160 121.223 0.013 0.000 2.436 301 L HA 0.663 5.006 4.340 0.005 0.000 0.268 301 L C -0.454 176.252 176.870 -0.273 0.000 0.974 301 L CA -0.711 53.916 54.840 -0.354 0.000 0.826 301 L CB 2.477 44.059 42.059 -0.795 0.000 1.291 301 L HN 0.627 nan 8.230 nan 0.000 0.406 302 M N 2.472 121.800 119.600 -0.454 0.000 2.456 302 M HA 0.600 5.083 4.480 0.005 0.000 0.324 302 M C -1.769 174.185 176.300 -0.576 0.000 1.124 302 M CA -0.344 54.791 55.300 -0.274 0.000 0.959 302 M CB 2.024 34.514 32.600 -0.184 0.000 1.692 302 M HN 0.322 nan 8.290 nan 0.000 0.444 303 F N 4.681 124.548 119.950 -0.139 0.000 2.458 303 F HA 0.598 5.120 4.527 -0.008 0.000 0.336 303 F C -0.541 175.164 175.800 -0.158 0.000 1.114 303 F CA -0.550 57.356 58.000 -0.157 0.000 0.987 303 F CB 1.394 40.335 39.000 -0.098 0.000 1.130 303 F HN 0.349 nan 8.300 nan 0.000 0.458 304 I N 4.012 124.526 120.570 -0.093 0.000 2.418 304 I HA 0.320 4.493 4.170 0.005 0.000 0.287 304 I C -2.331 173.792 176.117 0.009 0.000 1.008 304 I CA -2.116 59.116 61.300 -0.113 0.000 1.104 304 I CB 2.047 39.773 38.000 -0.457 0.000 1.264 304 I HN 0.321 nan 8.210 nan 0.000 0.438 305 P HA 0.039 nan 4.420 nan 0.000 0.277 305 P C 1.266 178.730 177.300 0.273 0.000 1.617 305 P CA 0.103 63.334 63.100 0.218 0.000 0.829 305 P CB -0.155 31.676 31.700 0.218 0.000 1.774 306 I N 0.910 121.506 120.570 0.043 0.000 2.290 306 I HA -0.326 3.847 4.170 0.005 0.000 0.253 306 I C 1.721 177.940 176.117 0.170 0.000 1.112 306 I CA 1.749 62.957 61.300 -0.154 0.000 1.377 306 I CB -0.334 37.596 38.000 -0.116 0.000 1.060 306 I HN 0.088 nan 8.210 nan 0.000 0.428 307 A N -1.768 121.238 122.820 0.311 0.000 2.275 307 A HA 0.234 4.557 4.320 0.005 0.000 0.212 307 A C 0.614 178.580 177.584 0.636 0.000 1.201 307 A CA -0.070 52.269 52.037 0.504 0.000 0.843 307 A CB -0.344 18.967 19.000 0.519 0.000 0.873 307 A HN 0.325 nan 8.150 nan 0.000 0.492 308 F N -0.989 119.175 119.950 0.356 0.000 2.640 308 F HA 0.448 4.976 4.527 0.002 0.000 0.324 308 F C 1.241 177.133 175.800 0.153 0.000 1.077 308 F CA -0.214 57.976 58.000 0.316 0.000 0.965 308 F CB 1.736 41.031 39.000 0.492 0.000 1.351 308 F HN -0.059 nan 8.300 nan 0.000 0.487 309 T N -1.514 112.454 114.554 -0.976 0.000 3.069 309 T HA 0.401 4.754 4.350 0.005 0.000 0.252 309 T C -0.024 174.335 174.700 -0.568 0.000 1.053 309 T CA 0.539 62.219 62.100 -0.699 0.000 0.964 309 T CB -0.607 68.028 68.868 -0.387 0.000 1.005 309 T HN 0.714 nan 8.240 nan 0.000 0.532 310 S N -0.533 114.866 115.700 -0.501 0.000 2.636 310 S HA 0.426 4.899 4.470 0.005 0.000 0.268 310 S C -1.987 172.628 174.600 0.026 0.000 1.159 310 S CA -1.024 57.020 58.200 -0.260 0.000 0.815 310 S CB 1.137 64.277 63.200 -0.099 0.000 1.130 310 S HN 0.064 nan 8.310 nan 0.000 0.471 311 D N 1.291 121.604 120.400 -0.145 0.000 2.357 311 D HA 0.599 5.242 4.640 0.005 0.000 0.242 311 D C 0.165 176.570 176.300 0.174 0.000 1.153 311 D CA 0.947 54.922 54.000 -0.043 0.000 0.918 311 D CB 0.725 41.546 40.800 0.036 0.000 1.181 311 D HN 0.821 nan 8.370 nan 0.000 0.435 312 H N -2.253 116.973 119.070 0.260 0.000 3.012 312 H HA 0.135 4.698 4.556 0.011 0.000 0.258 312 H C 0.477 175.930 175.328 0.208 0.000 1.530 312 H CA -0.721 55.469 56.048 0.237 0.000 1.187 312 H CB -0.071 29.798 29.762 0.179 0.000 1.907 312 H HN 0.251 nan 8.280 nan 0.000 0.695 313 I N 0.079 120.935 120.570 0.477 0.000 2.953 313 I HA -0.143 4.030 4.170 0.005 0.000 0.271 313 I C 1.102 177.360 176.117 0.235 0.000 1.286 313 I CA 1.591 63.074 61.300 0.306 0.000 1.449 313 I CB -0.190 37.886 38.000 0.125 0.000 1.086 313 I HN 0.624 nan 8.210 nan 0.000 0.483 314 E N -0.840 119.549 120.200 0.315 0.000 2.340 314 E HA -0.079 4.274 4.350 0.005 0.000 0.198 314 E C 1.981 178.632 176.600 0.085 0.000 0.961 314 E CA 1.049 57.578 56.400 0.214 0.000 0.905 314 E CB 0.258 30.205 29.700 0.411 0.000 0.884 314 E HN 0.617 nan 8.360 nan 0.000 0.491 315 T N -0.540 114.007 114.554 -0.012 0.000 2.837 315 T HA 0.021 4.374 4.350 0.005 0.000 0.248 315 T C 2.018 176.729 174.700 0.017 0.000 1.033 315 T CA 0.200 62.284 62.100 -0.027 0.000 1.150 315 T CB -0.550 68.266 68.868 -0.086 0.000 0.865 315 T HN 0.009 nan 8.240 nan 0.000 0.425 316 L N 0.055 121.309 121.223 0.051 0.000 2.261 316 L HA -0.108 4.235 4.340 0.005 0.000 0.216 316 L C 2.868 179.790 176.870 0.088 0.000 1.114 316 L CA 1.530 56.419 54.840 0.081 0.000 0.777 316 L CB -0.577 41.562 42.059 0.134 0.000 0.910 316 L HN 0.488 nan 8.230 nan 0.000 0.440 317 H N -0.871 118.213 119.070 0.024 0.000 2.143 317 H HA 0.068 4.628 4.556 0.007 0.000 0.238 317 H C 1.873 177.186 175.328 -0.024 0.000 0.914 317 H CA 0.273 56.323 56.048 0.004 0.000 1.154 317 H CB 0.451 30.214 29.762 0.002 0.000 1.359 317 H HN 0.099 nan 8.280 nan 0.000 0.493 318 E N 0.497 120.817 120.200 0.200 0.000 2.086 318 E HA -0.168 4.185 4.350 0.005 0.000 0.200 318 E C 1.978 178.573 176.600 -0.008 0.000 1.012 318 E CA 1.609 58.060 56.400 0.086 0.000 0.812 318 E CB 0.262 29.980 29.700 0.030 0.000 0.743 318 E HN 0.318 nan 8.360 nan 0.000 0.453 319 I N 0.932 121.473 120.570 -0.049 0.000 2.405 319 I HA -0.154 4.019 4.170 0.005 0.000 0.236 319 I C 2.007 178.032 176.117 -0.154 0.000 1.071 319 I CA 0.845 62.041 61.300 -0.174 0.000 1.398 319 I CB -1.320 36.578 38.000 -0.171 0.000 1.162 319 I HN 0.008 nan 8.210 nan 0.000 0.432 320 D N 1.298 121.645 120.400 -0.089 0.000 2.127 320 D HA -0.185 4.457 4.640 0.005 0.000 0.190 320 D C 2.351 178.598 176.300 -0.089 0.000 1.000 320 D CA 1.539 55.497 54.000 -0.069 0.000 0.839 320 D CB -0.220 40.555 40.800 -0.041 0.000 0.955 320 D HN 0.267 nan 8.370 nan 0.000 0.446 321 L N -0.014 121.122 121.223 -0.144 0.000 2.127 321 L HA 0.097 4.439 4.340 0.005 0.000 0.203 321 L C 2.506 179.303 176.870 -0.122 0.000 1.080 321 L CA 1.007 55.725 54.840 -0.202 0.000 0.768 321 L CB -0.618 41.150 42.059 -0.486 0.000 0.924 321 L HN 0.045 nan 8.230 nan 0.000 0.444 322 G N 0.020 108.780 108.800 -0.068 0.000 2.624 322 G HA2 -0.086 3.877 3.960 0.005 0.000 0.216 322 G HA3 -0.086 3.877 3.960 0.005 0.000 0.216 322 G C 1.516 176.406 174.900 -0.017 0.000 1.274 322 G CA 0.623 45.719 45.100 -0.006 0.000 0.856 322 G HN 0.040 nan 8.290 nan 0.000 0.555 323 V N 1.274 121.151 119.914 -0.062 0.000 2.255 323 V HA -0.166 3.957 4.120 0.005 0.000 0.247 323 V C 2.766 178.868 176.094 0.014 0.000 1.051 323 V CA 1.781 64.032 62.300 -0.082 0.000 1.018 323 V CB -0.519 31.104 31.823 -0.333 0.000 0.641 323 V HN 0.365 nan 8.190 nan 0.000 0.445 324 I N 0.416 120.960 120.570 -0.044 0.000 2.260 324 I HA 0.037 4.210 4.170 0.005 0.000 0.237 324 I C 1.890 178.041 176.117 0.057 0.000 1.075 324 I CA 1.363 62.729 61.300 0.110 0.000 1.376 324 I CB -0.725 37.312 38.000 0.062 0.000 1.107 324 I HN 0.406 nan 8.210 nan 0.000 0.420 325 G N 1.152 109.950 108.800 -0.004 0.000 3.213 325 G HA2 0.186 4.149 3.960 0.005 0.000 0.263 325 G HA3 0.186 4.149 3.960 0.005 0.000 0.263 325 G C 0.380 175.263 174.900 -0.028 0.000 0.829 325 G CA 0.176 45.261 45.100 -0.025 0.000 1.983 325 G HN 0.479 nan 8.290 nan 0.000 0.616 326 E N -0.598 119.595 120.200 -0.011 0.000 2.108 326 E HA -0.049 4.304 4.350 0.005 0.000 0.135 326 E C -0.162 176.445 176.600 0.012 0.000 0.799 326 E CA -0.147 56.250 56.400 -0.004 0.000 1.327 326 E CB 0.067 29.770 29.700 0.005 0.000 1.948 326 E HN 0.361 nan 8.360 nan 0.000 0.575 327 S N 0.903 116.608 115.700 0.009 0.000 2.509 327 S HA 0.176 4.648 4.470 0.005 0.000 0.297 327 S C 0.633 175.191 174.600 -0.071 0.000 1.118 327 S CA -0.445 57.769 58.200 0.023 0.000 1.074 327 S CB 1.243 64.474 63.200 0.051 0.000 1.038 327 S HN 0.320 nan 8.310 nan 0.000 0.498 328 E N 2.815 122.958 120.200 -0.095 0.000 2.461 328 E HA -0.025 4.328 4.350 0.005 0.000 0.196 328 E C -0.490 175.784 176.600 -0.542 0.000 1.129 328 E CA 0.726 56.955 56.400 -0.284 0.000 0.902 328 E CB -0.289 29.214 29.700 -0.328 0.000 0.963 328 E HN 0.794 nan 8.360 nan 0.000 0.503 329 Y N 0.396 120.472 120.300 -0.374 0.000 2.641 329 Y HA 0.285 4.836 4.550 0.001 0.000 0.248 329 Y C 1.184 176.719 175.900 -0.608 0.000 1.170 329 Y CA -0.828 56.925 58.100 -0.578 0.000 1.201 329 Y CB 0.683 38.538 38.460 -1.008 0.000 1.232 329 Y HN -0.071 nan 8.280 nan 0.000 0.537 330 K N 0.313 120.561 120.400 -0.253 0.000 2.227 330 K HA -0.289 4.033 4.320 0.005 0.000 0.208 330 K C 0.494 177.070 176.600 -0.040 0.000 1.045 330 K CA 2.290 58.511 56.287 -0.109 0.000 0.931 330 K CB -0.139 32.318 32.500 -0.072 0.000 0.721 330 K HN 0.466 nan 8.250 nan 0.000 0.469 331 D N 0.560 120.921 120.400 -0.064 0.000 2.091 331 D HA -0.104 4.539 4.640 0.005 0.000 0.199 331 D C 1.469 177.802 176.300 0.055 0.000 0.980 331 D CA 1.288 55.276 54.000 -0.021 0.000 0.831 331 D CB 0.027 40.805 40.800 -0.036 0.000 0.987 331 D HN 0.344 nan 8.370 nan 0.000 0.460 332 K N -0.221 120.271 120.400 0.154 0.000 2.569 332 K HA 0.058 4.381 4.320 0.005 0.000 0.193 332 K C -0.534 176.542 176.600 0.793 0.000 1.026 332 K CA 0.232 56.759 56.287 0.400 0.000 1.093 332 K CB 0.038 32.782 32.500 0.406 0.000 0.849 332 K HN -0.004 nan 8.250 nan 0.000 0.509 333 F N 1.876 121.967 119.950 0.234 0.000 2.507 333 F HA 0.518 5.042 4.527 -0.005 0.000 0.325 333 F C -0.204 175.732 175.800 0.227 0.000 1.116 333 F CA -1.557 56.628 58.000 0.308 0.000 0.930 333 F CB 1.908 41.092 39.000 0.307 0.000 1.146 333 F HN -0.143 nan 8.300 nan 0.000 0.447 334 K N 1.800 122.483 120.400 0.472 0.000 2.532 334 K HA 0.533 4.856 4.320 0.005 0.000 0.265 334 K C -1.124 175.662 176.600 0.310 0.000 0.948 334 K CA -1.108 55.351 56.287 0.287 0.000 0.842 334 K CB 3.682 36.283 32.500 0.168 0.000 1.392 334 K HN 0.552 nan 8.250 nan 0.000 0.436 335 R N 1.306 121.925 120.500 0.199 0.000 2.393 335 R HA 0.301 4.643 4.340 0.005 0.000 0.310 335 R C -0.503 175.861 176.300 0.106 0.000 0.968 335 R CA -0.525 55.678 56.100 0.172 0.000 0.867 335 R CB 1.137 31.501 30.300 0.106 0.000 1.124 335 R HN 0.779 nan 8.270 nan 0.000 0.450 336 C N 3.592 122.944 119.300 0.086 0.000 2.662 336 C HA 0.095 4.558 4.460 0.005 0.000 0.420 336 C C 0.580 175.595 174.990 0.042 0.000 1.314 336 C CA -0.164 58.886 59.018 0.054 0.000 1.963 336 C CB -0.089 27.670 27.740 0.033 0.000 2.686 336 C HN 0.830 nan 8.230 nan 0.000 0.609 337 E N 3.257 123.465 120.200 0.015 0.000 2.414 337 E HA 0.094 4.447 4.350 0.005 0.000 0.263 337 E C 0.184 176.736 176.600 -0.080 0.000 1.000 337 E CA 0.217 56.599 56.400 -0.029 0.000 0.914 337 E CB 0.749 30.425 29.700 -0.040 0.000 0.948 337 E HN 0.823 nan 8.360 nan 0.000 0.444 338 S N 3.556 119.182 115.700 -0.124 0.000 2.576 338 S HA 0.048 4.521 4.470 0.005 0.000 0.276 338 S C 1.709 176.099 174.600 -0.350 0.000 1.339 338 S CA -0.545 57.530 58.200 -0.209 0.000 1.039 338 S CB 0.662 63.730 63.200 -0.221 0.000 0.902 338 S HN 0.466 nan 8.310 nan 0.000 0.516 339 L N 2.129 123.056 121.223 -0.494 0.000 2.013 339 L HA -0.272 4.070 4.340 0.005 0.000 0.212 339 L C 1.647 178.309 176.870 -0.345 0.000 1.073 339 L CA 1.071 55.593 54.840 -0.531 0.000 0.753 339 L CB -0.919 40.526 42.059 -1.024 0.000 0.890 339 L HN 0.665 nan 8.230 nan 0.000 0.432 340 N N -0.296 118.105 118.700 -0.498 0.000 1.482 340 N HA -0.275 4.468 4.740 0.005 0.000 0.143 340 N C 1.078 176.466 175.510 -0.204 0.000 0.494 340 N CA 2.254 54.796 53.050 -0.848 0.000 1.128 340 N CB -1.508 35.869 38.487 -1.850 0.000 1.360 340 N HN 0.442 nan 8.380 nan 0.000 0.441 341 G N 0.903 109.620 108.800 -0.138 0.000 3.609 341 G HA2 0.181 4.144 3.960 0.005 0.000 0.280 341 G HA3 0.181 4.144 3.960 0.005 0.000 0.280 341 G C 0.164 175.218 174.900 0.256 0.000 1.155 341 G CA -0.059 45.257 45.100 0.359 0.000 0.876 341 G HN 0.531 nan 8.290 nan 0.000 0.535 342 N N 0.408 119.209 118.700 0.168 0.000 2.411 342 N HA 0.014 4.757 4.740 0.005 0.000 0.265 342 N C 1.656 177.257 175.510 0.151 0.000 1.266 342 N CA 0.115 53.249 53.050 0.139 0.000 0.889 342 N CB 0.555 39.104 38.487 0.104 0.000 1.069 342 N HN 0.223 nan 8.380 nan 0.000 0.476 343 Q N 1.466 121.327 119.800 0.102 0.000 2.124 343 Q HA -0.147 4.195 4.340 0.005 0.000 0.202 343 Q C 1.242 177.268 176.000 0.042 0.000 0.977 343 Q CA 1.522 57.361 55.803 0.059 0.000 0.850 343 Q CB 0.093 28.860 28.738 0.049 0.000 0.901 343 Q HN 0.730 nan 8.270 nan 0.000 0.429 344 T N 0.876 115.471 114.554 0.068 0.000 2.746 344 T HA -0.163 4.190 4.350 0.005 0.000 0.267 344 T C 1.349 176.120 174.700 0.119 0.000 1.039 344 T CA 1.177 63.321 62.100 0.072 0.000 1.142 344 T CB -0.396 68.516 68.868 0.073 0.000 0.866 344 T HN 0.350 nan 8.240 nan 0.000 0.444 345 F N 1.379 121.317 119.950 -0.019 0.000 2.075 345 F HA -0.060 4.470 4.527 0.006 0.000 0.297 345 F C 2.053 177.853 175.800 -0.000 0.000 1.113 345 F CA 1.134 59.127 58.000 -0.011 0.000 1.218 345 F CB -0.195 38.768 39.000 -0.060 0.000 0.984 345 F HN 0.036 nan 8.300 nan 0.000 0.472 346 I N 0.573 120.944 120.570 -0.333 0.000 2.208 346 I HA -0.298 3.874 4.170 0.005 0.000 0.245 346 I C 2.256 178.202 176.117 -0.285 0.000 1.097 346 I CA 1.710 62.749 61.300 -0.435 0.000 1.363 346 I CB -0.612 37.251 38.000 -0.229 0.000 1.051 346 I HN 0.271 nan 8.210 nan 0.000 0.413 347 E N 0.669 120.776 120.200 -0.155 0.000 2.153 347 E HA -0.157 4.196 4.350 0.005 0.000 0.194 347 E C 2.273 178.798 176.600 -0.124 0.000 0.988 347 E CA 1.077 57.404 56.400 -0.122 0.000 0.811 347 E CB -0.205 29.457 29.700 -0.063 0.000 0.746 347 E HN 0.577 nan 8.360 nan 0.000 0.466 348 G N 0.545 109.291 108.800 -0.090 0.000 2.408 348 G HA2 -0.238 3.725 3.960 0.005 0.000 0.217 348 G HA3 -0.238 3.725 3.960 0.005 0.000 0.217 348 G C 1.510 176.309 174.900 -0.168 0.000 1.150 348 G CA 0.481 45.547 45.100 -0.056 0.000 0.776 348 G HN 0.112 nan 8.290 nan 0.000 0.542 349 M N 0.767 120.198 119.600 -0.281 0.000 2.175 349 M HA 0.013 4.496 4.480 0.005 0.000 0.264 349 M C 3.058 179.114 176.300 -0.406 0.000 1.063 349 M CA 1.337 56.409 55.300 -0.380 0.000 1.119 349 M CB -0.310 32.066 32.600 -0.374 0.000 1.377 349 M HN 0.328 nan 8.290 nan 0.000 0.415 350 A N 0.172 122.799 122.820 -0.323 0.000 1.898 350 A HA -0.211 4.112 4.320 0.005 0.000 0.216 350 A C 1.763 179.185 177.584 -0.270 0.000 1.181 350 A CA 2.217 54.070 52.037 -0.306 0.000 0.620 350 A CB -0.796 18.057 19.000 -0.246 0.000 0.819 350 A HN 0.464 nan 8.150 nan 0.000 0.442 351 D N -0.653 119.621 120.400 -0.210 0.000 2.224 351 D HA -0.085 4.557 4.640 0.005 0.000 0.205 351 D C 1.769 177.969 176.300 -0.166 0.000 0.965 351 D CA 0.762 54.669 54.000 -0.156 0.000 0.852 351 D CB -0.127 40.612 40.800 -0.102 0.000 0.947 351 D HN 0.389 nan 8.370 nan 0.000 0.494 352 L N -0.330 120.756 121.223 -0.229 0.000 2.005 352 L HA -0.129 4.214 4.340 0.005 0.000 0.207 352 L C 2.187 178.894 176.870 -0.271 0.000 1.072 352 L CA 0.863 55.559 54.840 -0.240 0.000 0.744 352 L CB -0.255 41.581 42.059 -0.371 0.000 0.895 352 L HN -0.023 nan 8.230 nan 0.000 0.433 353 V N 0.427 120.082 119.914 -0.431 0.000 2.324 353 V HA -0.367 3.755 4.120 0.005 0.000 0.250 353 V C 2.568 178.553 176.094 -0.183 0.000 1.060 353 V CA 2.236 64.294 62.300 -0.404 0.000 1.042 353 V CB -0.726 30.784 31.823 -0.521 0.000 0.650 353 V HN 0.494 nan 8.190 nan 0.000 0.450 354 K N 0.158 120.450 120.400 -0.180 0.000 1.991 354 K HA -0.209 4.114 4.320 0.005 0.000 0.212 354 K C 2.399 178.958 176.600 -0.069 0.000 1.049 354 K CA 2.059 58.276 56.287 -0.117 0.000 0.932 354 K CB -0.300 32.127 32.500 -0.120 0.000 0.717 354 K HN 0.477 nan 8.250 nan 0.000 0.441 355 S N -0.034 115.628 115.700 -0.063 0.000 2.359 355 S HA -0.252 4.221 4.470 0.005 0.000 0.222 355 S C 1.764 176.349 174.600 -0.025 0.000 1.038 355 S CA 1.832 60.010 58.200 -0.037 0.000 1.051 355 S CB -0.760 62.427 63.200 -0.022 0.000 0.944 355 S HN 0.539 nan 8.310 nan 0.000 0.433 356 H N 1.621 120.632 119.070 -0.098 0.000 2.252 356 H HA -0.096 4.463 4.556 0.005 0.000 0.292 356 H C 1.985 177.267 175.328 -0.076 0.000 1.082 356 H CA 2.125 58.122 56.048 -0.085 0.000 1.229 356 H CB -0.622 29.072 29.762 -0.112 0.000 1.353 356 H HN 0.243 nan 8.280 nan 0.000 0.488 357 L N 0.112 121.345 121.223 0.016 0.000 2.043 357 L HA -0.247 4.096 4.340 0.005 0.000 0.212 357 L C 2.075 178.889 176.870 -0.093 0.000 1.075 357 L CA 1.601 56.423 54.840 -0.029 0.000 0.752 357 L CB -0.514 41.561 42.059 0.025 0.000 0.891 357 L HN 0.502 nan 8.230 nan 0.000 0.432 358 Q N -0.073 119.681 119.800 -0.077 0.000 2.425 358 Q HA 0.027 4.370 4.340 0.005 0.000 0.213 358 Q C -0.330 175.613 176.000 -0.095 0.000 0.950 358 Q CA -0.039 55.720 55.803 -0.074 0.000 0.979 358 Q CB -0.008 28.697 28.738 -0.057 0.000 0.997 358 Q HN 0.410 nan 8.270 nan 0.000 0.509 359 S N -1.365 114.250 115.700 -0.141 0.000 2.672 359 S HA 0.187 4.659 4.470 0.005 0.000 0.271 359 S C -0.240 174.253 174.600 -0.179 0.000 1.171 359 S CA -0.980 57.132 58.200 -0.147 0.000 0.817 359 S CB 0.824 63.933 63.200 -0.152 0.000 1.150 359 S HN 0.501 nan 8.310 nan 0.000 0.478 360 N N 0.754 119.359 118.700 -0.158 0.000 2.185 360 N HA 0.191 4.934 4.740 0.005 0.000 0.243 360 N C -0.976 174.395 175.510 -0.232 0.000 1.276 360 N CA -0.405 52.548 53.050 -0.162 0.000 0.941 360 N CB -0.391 38.018 38.487 -0.130 0.000 1.129 360 N HN 0.376 nan 8.380 nan 0.000 0.417 361 Q N -0.101 119.555 119.800 -0.239 0.000 2.779 361 Q HA -0.130 4.213 4.340 0.005 0.000 0.125 361 Q C -0.071 175.739 176.000 -0.315 0.000 1.465 361 Q CA 0.392 56.005 55.803 -0.316 0.000 0.531 361 Q CB -0.774 27.817 28.738 -0.245 0.000 0.684 361 Q HN 0.582 nan 8.270 nan 0.000 0.317 362 L N 2.614 123.655 121.223 -0.303 0.000 2.558 362 L HA 0.119 4.462 4.340 0.005 0.000 0.225 362 L C 0.520 177.357 176.870 -0.055 0.000 1.128 362 L CA 0.708 55.495 54.840 -0.087 0.000 0.868 362 L CB -0.549 41.569 42.059 0.098 0.000 1.006 362 L HN 0.607 nan 8.230 nan 0.000 0.454 363 Y N -4.300 115.957 120.300 -0.073 0.000 2.677 363 Y HA 0.651 5.203 4.550 0.004 0.000 0.334 363 Y C -0.022 175.879 175.900 0.000 0.000 1.196 363 Y CA -1.824 56.229 58.100 -0.079 0.000 1.059 363 Y CB 0.135 38.482 38.460 -0.188 0.000 1.315 363 Y HN -0.113 nan 8.280 nan 0.000 0.455 364 S N 0.093 115.943 115.700 0.249 0.000 2.634 364 S HA 0.159 4.632 4.470 0.005 0.000 0.261 364 S C 0.627 175.345 174.600 0.196 0.000 1.271 364 S CA 0.153 58.449 58.200 0.161 0.000 0.985 364 S CB 0.883 64.178 63.200 0.158 0.000 0.968 364 S HN 0.977 nan 8.310 nan 0.000 0.568 365 N N -0.146 118.618 118.700 0.107 0.000 2.309 365 N HA -0.125 4.618 4.740 0.005 0.000 0.182 365 N C 1.451 177.016 175.510 0.091 0.000 1.018 365 N CA 0.656 53.762 53.050 0.093 0.000 0.876 365 N CB -0.109 38.410 38.487 0.052 0.000 0.972 365 N HN 0.547 nan 8.380 nan 0.000 0.434 366 Q N 0.368 120.205 119.800 0.062 0.000 2.269 366 Q HA -0.044 4.299 4.340 0.005 0.000 0.201 366 Q C 1.978 177.945 176.000 -0.054 0.000 0.946 366 Q CA 0.211 56.012 55.803 -0.004 0.000 0.877 366 Q CB -0.236 28.476 28.738 -0.043 0.000 0.963 366 Q HN 0.334 nan 8.270 nan 0.000 0.472 367 L N 1.538 122.750 121.223 -0.020 0.000 1.990 367 L HA -0.161 4.181 4.340 0.005 0.000 0.213 367 L C -0.796 176.117 176.870 0.071 0.000 1.072 367 L CA 2.232 57.050 54.840 -0.036 0.000 0.755 367 L CB -1.676 40.354 42.059 -0.048 0.000 0.889 367 L HN 0.108 nan 8.230 nan 0.000 0.432 368 P HA -0.209 nan 4.420 nan 0.000 0.215 368 P C 1.942 179.311 177.300 0.115 0.000 1.157 368 P CA 1.268 64.404 63.100 0.062 0.000 0.874 368 P CB -0.100 31.635 31.700 0.058 0.000 0.790 369 L N -0.196 121.066 121.223 0.065 0.000 2.083 369 L HA -0.161 4.181 4.340 0.005 0.000 0.209 369 L C 1.709 178.608 176.870 0.048 0.000 1.083 369 L CA 2.017 56.883 54.840 0.044 0.000 0.752 369 L CB -1.368 40.700 42.059 0.016 0.000 0.899 369 L HN -0.112 nan 8.230 nan 0.000 0.433 370 D N -0.761 119.660 120.400 0.034 0.000 2.123 370 D HA -0.224 4.419 4.640 0.005 0.000 0.196 370 D C 2.004 178.378 176.300 0.122 0.000 0.992 370 D CA 1.585 55.606 54.000 0.035 0.000 0.833 370 D CB -0.150 40.525 40.800 -0.208 0.000 0.954 370 D HN 0.381 nan 8.370 nan 0.000 0.455 371 F N 0.868 120.887 119.950 0.115 0.000 2.558 371 F HA 0.087 4.617 4.527 0.004 0.000 0.298 371 F C 2.292 178.124 175.800 0.053 0.000 1.119 371 F CA 0.229 58.334 58.000 0.174 0.000 1.451 371 F CB -0.195 38.871 39.000 0.112 0.000 1.091 371 F HN -0.108 nan 8.300 nan 0.000 0.563 372 A N -0.414 122.476 122.820 0.117 0.000 1.970 372 A HA 0.024 4.347 4.320 0.005 0.000 0.216 372 A C 2.044 179.602 177.584 -0.043 0.000 1.170 372 A CA 1.031 53.091 52.037 0.039 0.000 0.645 372 A CB -0.634 18.388 19.000 0.036 0.000 0.816 372 A HN 0.363 nan 8.150 nan 0.000 0.447 373 L N -0.640 120.539 121.223 -0.074 0.000 2.416 373 L HA 0.182 4.525 4.340 0.005 0.000 0.216 373 L C 1.748 178.451 176.870 -0.277 0.000 1.098 373 L CA 0.045 54.808 54.840 -0.129 0.000 0.840 373 L CB -0.521 41.493 42.059 -0.076 0.000 0.981 373 L HN 0.391 nan 8.230 nan 0.000 0.462 374 G N 0.574 109.083 108.800 -0.485 0.000 2.699 374 G HA2 0.180 4.143 3.960 0.005 0.000 0.246 374 G HA3 0.180 4.143 3.960 0.005 0.000 0.246 374 G C -0.300 174.068 174.900 -0.887 0.000 1.219 374 G CA -0.236 44.156 45.100 -1.181 0.000 0.866 374 G HN -0.072 nan 8.290 nan 0.000 0.572 375 K N 0.169 120.035 120.400 -0.889 0.000 2.545 375 K HA 0.583 4.906 4.320 0.005 0.000 0.252 375 K C -0.753 175.703 176.600 -0.239 0.000 0.948 375 K CA -0.534 55.509 56.287 -0.408 0.000 0.827 375 K CB 1.530 33.872 32.500 -0.262 0.000 1.128 375 K HN 0.486 nan 8.250 nan 0.000 0.429 376 S N 1.654 117.289 115.700 -0.108 0.000 2.579 376 S HA 0.373 4.846 4.470 0.005 0.000 0.272 376 S C 0.050 174.662 174.600 0.020 0.000 1.141 376 S CA -0.634 57.582 58.200 0.027 0.000 0.843 376 S CB 1.207 64.513 63.200 0.177 0.000 1.122 376 S HN 0.624 nan 8.310 nan 0.000 0.468 377 N N 0.741 119.458 118.700 0.028 0.000 2.424 377 N HA 0.123 4.865 4.740 0.005 0.000 0.178 377 N C -0.775 174.759 175.510 0.039 0.000 1.060 377 N CA 0.312 53.371 53.050 0.014 0.000 0.901 377 N CB 0.292 38.777 38.487 -0.003 0.000 0.979 377 N HN 0.497 nan 8.380 nan 0.000 0.451 378 D N 0.117 120.561 120.400 0.074 0.000 2.735 378 D HA 0.234 4.877 4.640 0.005 0.000 0.291 378 D C -2.755 173.647 176.300 0.169 0.000 1.205 378 D CA -1.828 52.232 54.000 0.099 0.000 0.777 378 D CB 0.743 41.585 40.800 0.071 0.000 1.234 378 D HN -0.041 nan 8.370 nan 0.000 0.520 379 P HA 0.244 nan 4.420 nan 0.000 0.277 379 P C -0.472 177.010 177.300 0.303 0.000 1.271 379 P CA -0.686 62.589 63.100 0.291 0.000 0.795 379 P CB 0.985 32.838 31.700 0.256 0.000 1.101 380 V N 1.678 121.800 119.914 0.346 0.000 2.406 380 V HA 0.112 4.235 4.120 0.005 0.000 0.272 380 V C 1.349 177.451 176.094 0.013 0.000 1.043 380 V CA 0.148 62.460 62.300 0.020 0.000 0.915 380 V CB 0.886 32.506 31.823 -0.338 0.000 0.988 380 V HN 0.476 nan 8.190 nan 0.000 0.466 381 K N 2.244 122.633 120.400 -0.017 0.000 2.076 381 K HA 0.032 4.355 4.320 0.005 0.000 0.204 381 K C 0.576 177.117 176.600 -0.099 0.000 1.051 381 K CA 0.952 57.238 56.287 -0.002 0.000 0.949 381 K CB 0.045 32.569 32.500 0.040 0.000 0.726 381 K HN 0.661 nan 8.250 nan 0.000 0.443 382 D N -0.376 119.884 120.400 -0.233 0.000 2.440 382 D HA 0.117 4.760 4.640 0.005 0.000 0.252 382 D C 0.226 176.264 176.300 -0.437 0.000 1.180 382 D CA -0.292 53.552 54.000 -0.259 0.000 0.894 382 D CB 0.965 41.664 40.800 -0.168 0.000 1.111 382 D HN -0.216 nan 8.370 nan 0.000 0.544 383 L N 2.499 123.462 121.223 -0.433 0.000 2.131 383 L HA -0.098 4.245 4.340 0.005 0.000 0.210 383 L C 2.261 179.012 176.870 -0.199 0.000 1.092 383 L CA 1.403 55.932 54.840 -0.517 0.000 0.759 383 L CB -0.729 40.876 42.059 -0.756 0.000 0.903 383 L HN 0.453 nan 8.230 nan 0.000 0.435 384 S N -1.207 114.459 115.700 -0.055 0.000 2.419 384 S HA -0.176 4.297 4.470 0.005 0.000 0.233 384 S C 1.986 176.655 174.600 0.116 0.000 1.016 384 S CA 1.292 59.578 58.200 0.143 0.000 0.974 384 S CB -0.177 63.090 63.200 0.112 0.000 0.786 384 S HN 0.476 nan 8.310 nan 0.000 0.492 385 L N 0.653 121.782 121.223 -0.156 0.000 2.249 385 L HA 0.138 4.480 4.340 0.005 0.000 0.207 385 L C 2.066 178.612 176.870 -0.540 0.000 1.090 385 L CA 0.556 55.160 54.840 -0.393 0.000 0.802 385 L CB -0.084 41.759 42.059 -0.359 0.000 0.947 385 L HN 0.216 nan 8.230 nan 0.000 0.453 386 V N -0.356 119.139 119.914 -0.698 0.000 2.453 386 V HA -0.164 3.959 4.120 0.005 0.000 0.247 386 V C 0.422 176.184 176.094 -0.555 0.000 1.048 386 V CA 1.216 62.975 62.300 -0.902 0.000 1.049 386 V CB -0.520 30.475 31.823 -1.379 0.000 0.672 386 V HN 0.151 nan 8.190 nan 0.000 0.457 387 F N -0.355 119.682 119.950 0.145 0.000 2.427 387 F HA 0.732 5.262 4.527 0.005 0.000 0.348 387 F C 0.578 176.575 175.800 0.329 0.000 1.125 387 F CA 0.144 58.328 58.000 0.307 0.000 0.989 387 F CB 1.572 40.778 39.000 0.342 0.000 1.165 387 F HN 0.112 nan 8.300 nan 0.000 0.442 388 G N 2.356 111.416 108.800 0.433 0.000 2.335 388 G HA2 -0.006 3.957 3.960 0.005 0.000 0.291 388 G HA3 -0.006 3.957 3.960 0.005 0.000 0.291 388 G C -0.499 174.405 174.900 0.006 0.000 1.261 388 G CA -0.540 44.617 45.100 0.095 0.000 0.871 388 G HN 0.412 nan 8.290 nan 0.000 0.491 389 N N -0.697 117.860 118.700 -0.239 0.000 2.387 389 N HA -0.013 4.729 4.740 0.005 0.000 0.176 389 N C 0.636 176.125 175.510 -0.036 0.000 1.022 389 N CA 0.749 53.740 53.050 -0.098 0.000 0.883 389 N CB -0.326 38.102 38.487 -0.097 0.000 1.019 389 N HN 0.588 nan 8.380 nan 0.000 0.435 390 H N 0.699 119.821 119.070 0.087 0.000 1.799 390 H HA -0.174 4.384 4.556 0.005 0.000 0.315 390 H C -0.158 175.217 175.328 0.078 0.000 0.805 390 H CA 1.046 57.145 56.048 0.085 0.000 1.047 390 H CB -1.076 28.751 29.762 0.109 0.000 1.526 390 H HN 0.581 nan 8.280 nan 0.000 0.272 391 E N 0.000 120.272 120.200 0.120 0.000 2.725 391 E HA 0.000 4.353 4.350 0.005 0.000 0.291 391 E CA 0.000 56.455 56.400 0.092 0.000 0.976 391 E CB 0.000 29.740 29.700 0.066 0.000 0.812 391 E HN 0.000 nan 8.360 nan 0.000 0.440