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 3mdt_1_B DATA FIRST_RESID 59 DATA SEQUENCE VLQDVFLDWA KKYGPVVRVN VFHKTSVIVT SPESVKKFLM STKYNKDSKM DATA SEQUENCE YRALQTVFGE RLFGQGLVSE CNYERWHKQR RVIDLAFSRS SLVSLMETFN DATA SEQUENCE EKAEQLVEIL EAKADGQTPV SMQDMLTYTA MDILAKAAFG METSMLLGAQ DATA SEQUENCE KPLSQAVKLM LEGITASRNT XXXXXXXKRK QLREVRESIR FLRQVGRDWV DATA SEQUENCE QRRREALKRG EEVPADILTQ ILKAEEGAQD DEGLLDNFVT FFIAGHETSA DATA SEQUENCE NHLAFTVMEL SRQPEIVARL QAEVDEVIGS KRYLDFEDLG RLQYLSQVLK DATA SEQUENCE ESLRLYPPAW GTFRLLEEET LIDGVRVPGN TPLLFSTYVM GRMDTYFEDP DATA SEQUENCE LTFNPDRFGP GAPKPRFTYF PFSLGHRSCI GQQFAQMEVK VVMAKLLQRL DATA SEQUENCE EFRLVPGQRF GLQEQATLKP LDPVLCTLRP R 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 59 V HA 0.000 nan 4.120 nan 0.000 0.244 59 V C 0.000 175.847 176.094 -0.411 0.000 1.182 59 V CA 0.000 62.145 62.300 -0.259 0.000 1.235 59 V CB 0.000 31.708 31.823 -0.192 0.000 1.184 60 L N 2.892 123.798 121.223 -0.528 0.000 2.127 60 L HA -0.092 4.248 4.340 -0.000 0.000 0.211 60 L C 2.419 178.608 176.870 -1.134 0.000 1.089 60 L CA 2.136 56.468 54.840 -0.846 0.000 0.757 60 L CB -0.270 41.259 42.059 -0.883 0.000 0.899 60 L HN 0.705 nan 8.230 nan 0.000 0.434 61 Q N -0.436 118.824 119.800 -0.900 0.000 2.170 61 Q HA -0.203 4.137 4.340 -0.000 0.000 0.203 61 Q C 1.867 177.638 176.000 -0.382 0.000 0.976 61 Q CA 1.617 56.976 55.803 -0.740 0.000 0.858 61 Q CB -0.395 27.780 28.738 -0.937 0.000 0.907 61 Q HN 0.596 nan 8.270 nan 0.000 0.433 62 D N -0.232 119.966 120.400 -0.337 0.000 2.144 62 D HA -0.088 4.552 4.640 -0.000 0.000 0.200 62 D C 2.045 178.190 176.300 -0.258 0.000 0.978 62 D CA 0.626 54.546 54.000 -0.133 0.000 0.833 62 D CB 0.057 40.797 40.800 -0.100 0.000 0.961 62 D HN 0.043 nan 8.370 nan 0.000 0.470 63 V N 1.009 120.628 119.914 -0.493 0.000 2.343 63 V HA -0.218 3.902 4.120 -0.000 0.000 0.247 63 V C 2.171 177.831 176.094 -0.723 0.000 1.051 63 V CA 1.152 63.020 62.300 -0.719 0.000 1.036 63 V CB -0.537 30.724 31.823 -0.938 0.000 0.654 63 V HN 0.056 nan 8.190 nan 0.000 0.451 64 F N -0.322 119.298 119.950 -0.551 0.000 2.234 64 F HA -0.076 4.451 4.527 -0.000 0.000 0.299 64 F C 2.077 177.803 175.800 -0.124 0.000 1.087 64 F CA 0.836 58.641 58.000 -0.324 0.000 1.340 64 F CB -1.167 37.657 39.000 -0.294 0.000 1.031 64 F HN 0.149 nan 8.300 nan 0.000 0.500 65 L N 0.527 121.789 121.223 0.066 0.000 2.017 65 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 65 L C 1.968 178.874 176.870 0.061 0.000 1.073 65 L CA 1.961 56.847 54.840 0.077 0.000 0.745 65 L CB -1.003 41.097 42.059 0.068 0.000 0.894 65 L HN -0.066 nan 8.230 nan 0.000 0.432 66 D N -0.768 119.634 120.400 0.005 0.000 2.104 66 D HA -0.230 4.410 4.640 -0.000 0.000 0.194 66 D C 1.984 178.414 176.300 0.217 0.000 0.994 66 D CA 1.581 55.614 54.000 0.055 0.000 0.830 66 D CB -0.498 40.307 40.800 0.010 0.000 0.959 66 D HN 0.473 nan 8.370 nan 0.000 0.452 67 W N 1.336 122.696 121.300 0.099 0.000 2.467 67 W HA 0.191 4.851 4.660 -0.000 0.000 0.275 67 W C 2.481 179.086 176.519 0.143 0.000 1.239 67 W CA 0.215 57.673 57.345 0.189 0.000 1.266 67 W CB -1.209 28.454 29.460 0.338 0.000 1.112 67 W HN -0.031 nan 8.180 nan 0.000 0.576 68 A N 0.639 123.641 122.820 0.303 0.000 1.898 68 A HA -0.187 4.133 4.320 -0.000 0.000 0.216 68 A C 2.059 179.708 177.584 0.108 0.000 1.181 68 A CA 1.747 53.895 52.037 0.185 0.000 0.620 68 A CB -0.582 18.508 19.000 0.151 0.000 0.819 68 A HN 0.247 nan 8.150 nan 0.000 0.442 69 K N -0.512 119.929 120.400 0.068 0.000 2.097 69 K HA -0.114 4.206 4.320 -0.000 0.000 0.205 69 K C 2.195 178.770 176.600 -0.042 0.000 1.050 69 K CA 1.603 57.890 56.287 -0.000 0.000 0.938 69 K CB -0.085 32.407 32.500 -0.014 0.000 0.718 69 K HN 0.472 nan 8.250 nan 0.000 0.442 70 K N -0.071 120.280 120.400 -0.082 0.000 2.021 70 K HA -0.079 4.241 4.320 -0.000 0.000 0.205 70 K C 1.202 177.605 176.600 -0.329 0.000 1.047 70 K CA 1.217 57.326 56.287 -0.298 0.000 0.943 70 K CB 0.113 32.290 32.500 -0.538 0.000 0.725 70 K HN 0.061 nan 8.250 nan 0.000 0.439 71 Y N -0.110 120.216 120.300 0.044 0.000 2.458 71 Y HA 0.318 4.868 4.550 -0.000 0.000 0.256 71 Y C 0.828 176.733 175.900 0.008 0.000 1.159 71 Y CA 0.173 58.273 58.100 0.001 0.000 1.261 71 Y CB 0.897 39.332 38.460 -0.042 0.000 1.119 71 Y HN 0.352 nan 8.280 nan 0.000 0.524 72 G N 0.492 109.368 108.800 0.125 0.000 2.526 72 G HA2 -0.194 3.765 3.960 -0.000 0.000 0.250 72 G HA3 -0.194 3.765 3.960 -0.000 0.000 0.250 72 G C -2.226 172.728 174.900 0.090 0.000 1.289 72 G CA -0.505 44.646 45.100 0.085 0.000 0.947 72 G HN -0.016 nan 8.290 nan 0.000 0.517 73 P HA 0.270 nan 4.420 nan 0.000 0.231 73 P C 0.382 177.710 177.300 0.045 0.000 1.168 73 P CA 0.814 63.965 63.100 0.085 0.000 0.779 73 P CB 0.359 32.115 31.700 0.092 0.000 0.844 74 V N 0.656 120.587 119.914 0.029 0.000 2.380 74 V HA 0.273 4.393 4.120 -0.000 0.000 0.286 74 V C -0.537 175.548 176.094 -0.014 0.000 1.015 74 V CA -0.618 61.674 62.300 -0.013 0.000 0.834 74 V CB 2.356 34.169 31.823 -0.016 0.000 1.009 74 V HN -0.318 nan 8.190 nan 0.000 0.428 75 V N 4.971 124.864 119.914 -0.035 0.000 2.577 75 V HA 0.500 4.620 4.120 -0.000 0.000 0.303 75 V C 0.113 176.155 176.094 -0.087 0.000 1.042 75 V CA -0.857 61.423 62.300 -0.032 0.000 0.872 75 V CB 2.179 34.043 31.823 0.070 0.000 0.998 75 V HN 0.802 nan 8.190 nan 0.000 0.423 76 R N 3.293 123.730 120.500 -0.106 0.000 2.347 76 R HA 0.613 4.953 4.340 -0.000 0.000 0.304 76 R C -0.627 175.624 176.300 -0.081 0.000 1.072 76 R CA -0.060 55.977 56.100 -0.105 0.000 0.980 76 R CB 1.107 31.345 30.300 -0.103 0.000 0.986 76 R HN 0.724 nan 8.270 nan 0.000 0.448 77 V N 1.052 120.915 119.914 -0.086 0.000 3.102 77 V HA 0.544 4.664 4.120 -0.000 0.000 0.312 77 V C -0.922 175.179 176.094 0.011 0.000 1.135 77 V CA -1.322 60.974 62.300 -0.007 0.000 1.022 77 V CB 2.347 34.014 31.823 -0.259 0.000 1.056 77 V HN 0.632 nan 8.190 nan 0.000 0.436 78 N N 0.795 119.569 118.700 0.124 0.000 2.425 78 N HA 0.734 5.474 4.740 -0.000 0.000 0.268 78 N C -1.057 174.518 175.510 0.109 0.000 0.991 78 N CA -0.182 52.926 53.050 0.097 0.000 0.931 78 N CB 1.652 40.203 38.487 0.107 0.000 1.130 78 N HN 0.793 nan 8.380 nan 0.000 0.493 79 V N 4.241 124.170 119.914 0.025 0.000 2.760 79 V HA 0.455 4.575 4.120 -0.000 0.000 0.309 79 V C -0.779 175.214 176.094 -0.168 0.000 1.077 79 V CA -0.643 61.578 62.300 -0.132 0.000 0.910 79 V CB 0.274 32.038 31.823 -0.098 0.000 1.008 79 V HN 0.843 nan 8.190 nan 0.000 0.424 80 F N 6.306 126.219 119.950 -0.063 0.000 3.067 80 F HA -0.254 4.273 4.527 -0.000 0.000 0.279 80 F C 0.985 176.637 175.800 -0.247 0.000 0.945 80 F CA 1.255 59.107 58.000 -0.247 0.000 0.948 80 F CB -2.040 36.873 39.000 -0.145 0.000 0.898 80 F HN 1.046 nan 8.300 nan 0.000 0.746 81 H N -3.103 116.038 119.070 0.118 0.000 3.237 81 H HA -0.183 4.373 4.556 -0.000 0.000 0.231 81 H C 0.377 175.732 175.328 0.044 0.000 1.148 81 H CA 1.152 57.242 56.048 0.070 0.000 1.155 81 H CB -1.055 28.746 29.762 0.064 0.000 1.210 81 H HN 0.549 nan 8.280 nan 0.000 0.317 82 K N 0.523 120.991 120.400 0.113 0.000 2.443 82 K HA 0.433 4.753 4.320 -0.000 0.000 0.251 82 K C -0.316 176.302 176.600 0.030 0.000 0.972 82 K CA -0.691 55.629 56.287 0.056 0.000 0.833 82 K CB 2.027 34.535 32.500 0.014 0.000 1.317 82 K HN -0.021 nan 8.250 nan 0.000 0.441 83 T N 1.501 116.064 114.554 0.015 0.000 2.814 83 T HA 0.246 4.596 4.350 -0.000 0.000 0.297 83 T C -0.109 174.585 174.700 -0.009 0.000 0.956 83 T CA -0.293 61.807 62.100 0.001 0.000 1.123 83 T CB 0.396 69.261 68.868 -0.005 0.000 0.902 83 T HN 0.653 nan 8.240 nan 0.000 0.528 84 S N 1.425 117.116 115.700 -0.016 0.000 2.579 84 S HA 0.671 5.141 4.470 -0.000 0.000 0.272 84 S C -1.182 173.376 174.600 -0.069 0.000 1.141 84 S CA -0.916 57.278 58.200 -0.010 0.000 0.843 84 S CB 1.444 64.695 63.200 0.085 0.000 1.122 84 S HN 0.391 nan 8.310 nan 0.000 0.468 85 V N 2.521 122.378 119.914 -0.095 0.000 2.357 85 V HA 0.453 4.573 4.120 -0.000 0.000 0.284 85 V C -0.018 175.941 176.094 -0.226 0.000 1.018 85 V CA -0.717 61.492 62.300 -0.152 0.000 0.841 85 V CB 1.132 32.869 31.823 -0.142 0.000 0.991 85 V HN 0.913 nan 8.190 nan 0.000 0.437 86 I N 6.632 127.050 120.570 -0.253 0.000 2.452 86 I HA 0.328 4.497 4.170 -0.000 0.000 0.287 86 I C -0.549 175.433 176.117 -0.225 0.000 1.079 86 I CA 0.164 61.294 61.300 -0.284 0.000 1.387 86 I CB 0.712 38.508 38.000 -0.339 0.000 1.404 86 I HN 0.410 nan 8.210 nan 0.000 0.522 87 V N 5.900 125.623 119.914 -0.317 0.000 2.384 87 V HA 0.336 4.456 4.120 -0.000 0.000 0.287 87 V C 0.643 176.694 176.094 -0.072 0.000 1.020 87 V CA -0.348 61.816 62.300 -0.227 0.000 0.850 87 V CB 1.063 32.668 31.823 -0.365 0.000 0.987 87 V HN 0.831 nan 8.190 nan 0.000 0.436 88 T N -1.076 113.514 114.554 0.060 0.000 3.252 88 T HA 0.203 4.553 4.350 -0.000 0.000 0.286 88 T C 0.487 175.334 174.700 0.245 0.000 1.013 88 T CA 0.125 62.336 62.100 0.184 0.000 0.914 88 T CB 0.123 69.120 68.868 0.215 0.000 1.131 88 T HN 0.713 nan 8.240 nan 0.000 0.529 89 S N 1.090 116.895 115.700 0.175 0.000 2.541 89 S HA 0.502 4.971 4.470 -0.000 0.000 0.283 89 S C -2.011 172.630 174.600 0.068 0.000 1.196 89 S CA -1.311 56.984 58.200 0.159 0.000 1.062 89 S CB 1.898 65.180 63.200 0.137 0.000 1.009 89 S HN -0.105 nan 8.310 nan 0.000 0.502 90 P HA -0.061 nan 4.420 nan 0.000 0.216 90 P C 0.874 178.160 177.300 -0.024 0.000 1.150 90 P CA 1.142 64.233 63.100 -0.014 0.000 0.837 90 P CB 0.046 31.715 31.700 -0.052 0.000 0.786 91 E N -0.863 119.318 120.200 -0.032 0.000 2.150 91 E HA -0.092 4.258 4.350 -0.000 0.000 0.193 91 E C 2.141 178.677 176.600 -0.106 0.000 0.985 91 E CA 1.168 57.508 56.400 -0.100 0.000 0.814 91 E CB -0.992 28.675 29.700 -0.055 0.000 0.752 91 E HN 0.131 nan 8.360 nan 0.000 0.466 92 S N -0.298 115.416 115.700 0.024 0.000 2.383 92 S HA -0.088 4.382 4.470 -0.000 0.000 0.227 92 S C 2.022 176.796 174.600 0.291 0.000 1.026 92 S CA 0.779 59.088 58.200 0.183 0.000 0.981 92 S CB -0.085 63.268 63.200 0.255 0.000 0.818 92 S HN 0.067 nan 8.310 nan 0.000 0.472 93 V N 1.959 121.975 119.914 0.171 0.000 2.358 93 V HA -0.155 3.965 4.120 -0.000 0.000 0.246 93 V C 2.388 178.340 176.094 -0.237 0.000 1.047 93 V CA 1.649 63.977 62.300 0.046 0.000 1.035 93 V CB -0.488 31.357 31.823 0.037 0.000 0.658 93 V HN 0.421 nan 8.190 nan 0.000 0.452 94 K N 0.558 120.684 120.400 -0.457 0.000 2.025 94 K HA -0.239 4.081 4.320 -0.000 0.000 0.207 94 K C 2.306 178.613 176.600 -0.489 0.000 1.049 94 K CA 1.905 57.683 56.287 -0.849 0.000 0.933 94 K CB -0.135 31.594 32.500 -1.284 0.000 0.714 94 K HN 0.405 nan 8.250 nan 0.000 0.438 95 K N -0.278 119.870 120.400 -0.421 0.000 2.009 95 K HA -0.165 4.155 4.320 -0.000 0.000 0.210 95 K C 1.917 178.213 176.600 -0.507 0.000 1.049 95 K CA 1.982 57.971 56.287 -0.497 0.000 0.929 95 K CB -0.199 31.869 32.500 -0.720 0.000 0.714 95 K HN 0.055 nan 8.250 nan 0.000 0.440 96 F N 0.861 120.628 119.950 -0.306 0.000 2.179 96 F HA 0.038 4.565 4.527 -0.000 0.000 0.292 96 F C 2.058 177.677 175.800 -0.301 0.000 1.089 96 F CA 0.689 58.414 58.000 -0.458 0.000 1.295 96 F CB -0.323 38.442 39.000 -0.392 0.000 1.041 96 F HN -0.055 nan 8.300 nan 0.000 0.487 97 L N -0.688 120.380 121.223 -0.257 0.000 2.156 97 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 97 L C 1.828 178.620 176.870 -0.130 0.000 1.095 97 L CA 0.839 55.485 54.840 -0.323 0.000 0.770 97 L CB -0.469 41.271 42.059 -0.532 0.000 0.914 97 L HN 0.165 nan 8.230 nan 0.000 0.439 98 M N -0.932 118.606 119.600 -0.103 0.000 2.568 98 M HA 0.115 4.595 4.480 -0.000 0.000 0.226 98 M C 0.571 176.892 176.300 0.035 0.000 1.148 98 M CA 0.344 55.635 55.300 -0.015 0.000 1.007 98 M CB -0.445 32.129 32.600 -0.043 0.000 1.651 98 M HN -0.010 nan 8.290 nan 0.000 0.488 99 S N 0.273 116.022 115.700 0.081 0.000 2.502 99 S HA 0.338 4.808 4.470 -0.000 0.000 0.304 99 S C 1.163 175.848 174.600 0.141 0.000 1.097 99 S CA -0.465 57.800 58.200 0.108 0.000 1.045 99 S CB 1.179 64.466 63.200 0.145 0.000 1.019 99 S HN 0.501 nan 8.310 nan 0.000 0.481 100 T N 2.472 117.019 114.554 -0.012 0.000 3.051 100 T HA 0.016 4.366 4.350 -0.000 0.000 0.269 100 T C 1.248 175.755 174.700 -0.323 0.000 1.127 100 T CA 0.780 62.717 62.100 -0.271 0.000 1.107 100 T CB -0.315 68.293 68.868 -0.433 0.000 0.898 100 T HN 0.552 nan 8.240 nan 0.000 0.517 101 K N 0.288 120.548 120.400 -0.234 0.000 2.442 101 K HA 0.109 4.429 4.320 -0.000 0.000 0.198 101 K C -0.441 175.900 176.600 -0.432 0.000 1.042 101 K CA 0.567 56.624 56.287 -0.384 0.000 0.958 101 K CB -0.199 32.017 32.500 -0.474 0.000 0.766 101 K HN 0.594 nan 8.250 nan 0.000 0.474 102 Y N 0.716 121.037 120.300 0.034 0.000 2.345 102 Y HA 0.297 4.847 4.550 -0.000 0.000 0.331 102 Y C -0.066 175.905 175.900 0.118 0.000 0.959 102 Y CA -1.032 57.135 58.100 0.112 0.000 1.204 102 Y CB 1.076 39.653 38.460 0.195 0.000 1.135 102 Y HN -0.096 nan 8.280 nan 0.000 0.477 103 N N 2.863 121.696 118.700 0.221 0.000 2.384 103 N HA 0.256 4.996 4.740 -0.000 0.000 0.301 103 N C -0.869 174.718 175.510 0.129 0.000 1.133 103 N CA -0.977 52.160 53.050 0.145 0.000 0.853 103 N CB 1.779 40.340 38.487 0.124 0.000 1.241 103 N HN 0.506 nan 8.380 nan 0.000 0.502 104 K N 0.885 121.317 120.400 0.054 0.000 2.472 104 K HA -0.066 4.254 4.320 -0.000 0.000 0.280 104 K C -0.610 176.081 176.600 0.152 0.000 1.028 104 K CA 0.165 56.494 56.287 0.069 0.000 1.045 104 K CB 0.227 32.607 32.500 -0.200 0.000 0.902 104 K HN 0.357 nan 8.250 nan 0.000 0.478 105 D N 2.330 122.910 120.400 0.301 0.000 2.344 105 D HA 0.018 4.658 4.640 -0.000 0.000 0.253 105 D C 0.798 177.246 176.300 0.246 0.000 1.255 105 D CA 0.411 54.550 54.000 0.233 0.000 0.894 105 D CB 0.850 41.736 40.800 0.143 0.000 1.067 105 D HN 0.384 nan 8.370 nan 0.000 0.492 106 S N 3.287 119.077 115.700 0.151 0.000 2.380 106 S HA -0.231 4.239 4.470 -0.000 0.000 0.229 106 S C 1.662 176.301 174.600 0.064 0.000 1.043 106 S CA 1.349 59.617 58.200 0.112 0.000 1.038 106 S CB 0.089 63.331 63.200 0.070 0.000 0.872 106 S HN 0.525 nan 8.310 nan 0.000 0.456 107 K N 0.059 120.465 120.400 0.010 0.000 2.057 107 K HA -0.043 4.277 4.320 -0.000 0.000 0.207 107 K C 2.065 178.585 176.600 -0.133 0.000 1.049 107 K CA 1.201 57.460 56.287 -0.047 0.000 0.931 107 K CB -0.209 32.260 32.500 -0.052 0.000 0.714 107 K HN 0.332 nan 8.250 nan 0.000 0.440 108 M N -0.520 118.932 119.600 -0.248 0.000 2.236 108 M HA -0.055 4.425 4.480 -0.000 0.000 0.266 108 M C 1.507 177.485 176.300 -0.537 0.000 1.070 108 M CA 1.625 56.594 55.300 -0.552 0.000 1.137 108 M CB -0.706 31.250 32.600 -1.074 0.000 1.378 108 M HN 0.121 nan 8.290 nan 0.000 0.426 109 Y N -0.982 119.229 120.300 -0.149 0.000 2.449 109 Y HA 0.226 4.776 4.550 -0.000 0.000 0.254 109 Y C 2.311 178.153 175.900 -0.096 0.000 1.140 109 Y CA -0.007 58.017 58.100 -0.126 0.000 1.272 109 Y CB -0.030 38.380 38.460 -0.085 0.000 1.114 109 Y HN 0.120 nan 8.280 nan 0.000 0.525 110 R N 0.235 120.754 120.500 0.033 0.000 2.148 110 R HA -0.049 4.291 4.340 -0.000 0.000 0.227 110 R C 1.959 178.247 176.300 -0.021 0.000 1.103 110 R CA 0.880 56.991 56.100 0.018 0.000 0.983 110 R CB -0.169 30.139 30.300 0.012 0.000 0.874 110 R HN 0.218 nan 8.270 nan 0.000 0.451 111 A N 0.028 122.799 122.820 -0.082 0.000 2.258 111 A HA 0.030 4.350 4.320 -0.000 0.000 0.206 111 A C 1.444 178.960 177.584 -0.114 0.000 1.222 111 A CA 0.695 52.662 52.037 -0.118 0.000 0.822 111 A CB -0.015 18.880 19.000 -0.175 0.000 0.804 111 A HN 0.232 nan 8.150 nan 0.000 0.483 112 L N -2.710 118.483 121.223 -0.050 0.000 3.076 112 L HA 0.058 4.398 4.340 -0.000 0.000 0.271 112 L C 2.223 179.186 176.870 0.156 0.000 1.152 112 L CA 0.178 55.029 54.840 0.019 0.000 0.996 112 L CB -0.001 41.999 42.059 -0.099 0.000 1.453 112 L HN 0.308 nan 8.230 nan 0.000 0.571 113 Q N -0.113 119.753 119.800 0.109 0.000 2.079 113 Q HA -0.016 4.324 4.340 -0.000 0.000 0.200 113 Q C -0.126 175.940 176.000 0.111 0.000 0.974 113 Q CA 1.130 57.012 55.803 0.131 0.000 0.840 113 Q CB 0.060 28.851 28.738 0.089 0.000 0.898 113 Q HN 0.285 nan 8.270 nan 0.000 0.430 114 T N 0.311 114.905 114.554 0.066 0.000 2.881 114 T HA 0.506 4.856 4.350 -0.000 0.000 0.290 114 T C -1.018 173.685 174.700 0.005 0.000 1.000 114 T CA -0.613 61.514 62.100 0.044 0.000 0.978 114 T CB 2.405 71.292 68.868 0.031 0.000 0.997 114 T HN -0.206 nan 8.240 nan 0.000 0.443 115 V N 4.120 124.043 119.914 0.016 0.000 2.407 115 V HA 0.394 4.514 4.120 -0.000 0.000 0.291 115 V C -0.405 175.721 176.094 0.053 0.000 1.018 115 V CA -0.733 61.537 62.300 -0.051 0.000 0.842 115 V CB 0.394 32.225 31.823 0.014 0.000 0.996 115 V HN 0.986 nan 8.190 nan 0.000 0.426 116 F N 4.092 124.068 119.950 0.043 0.000 3.067 116 F HA -0.204 4.323 4.527 -0.000 0.000 0.279 116 F C 1.601 177.418 175.800 0.028 0.000 0.945 116 F CA 1.489 59.510 58.000 0.035 0.000 0.948 116 F CB -1.516 37.505 39.000 0.034 0.000 0.898 116 F HN 0.963 nan 8.300 nan 0.000 0.746 117 G N -1.049 107.838 108.800 0.145 0.000 2.225 117 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.254 117 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.254 117 G C -0.012 174.936 174.900 0.079 0.000 0.988 117 G CA 0.312 45.472 45.100 0.100 0.000 0.625 117 G HN 0.614 nan 8.290 nan 0.000 0.527 118 E N 0.597 120.851 120.200 0.091 0.000 2.134 118 E HA 0.586 4.936 4.350 -0.000 0.000 0.278 118 E C 0.567 177.196 176.600 0.048 0.000 0.959 118 E CA -0.996 55.443 56.400 0.065 0.000 0.783 118 E CB 0.481 30.225 29.700 0.073 0.000 1.095 118 E HN 0.400 nan 8.360 nan 0.000 0.399 119 R N 4.100 124.619 120.500 0.033 0.000 2.484 119 R HA 0.078 4.418 4.340 -0.000 0.000 0.293 119 R C -0.174 176.129 176.300 0.006 0.000 1.023 119 R CA 0.060 56.177 56.100 0.028 0.000 1.037 119 R CB 0.246 30.560 30.300 0.022 0.000 0.951 119 R HN 0.652 nan 8.270 nan 0.000 0.418 120 L N 4.142 125.372 121.223 0.012 0.000 3.073 120 L HA 0.309 4.649 4.340 -0.000 0.000 0.194 120 L C 0.642 177.463 176.870 -0.082 0.000 1.355 120 L CA 0.571 55.373 54.840 -0.064 0.000 2.306 120 L CB -0.104 41.923 42.059 -0.053 0.000 2.239 120 L HN 0.700 nan 8.230 nan 0.000 0.978 121 F N 0.379 120.359 119.950 0.050 0.000 2.698 121 F HA 0.351 4.878 4.527 -0.000 0.000 0.295 121 F C 1.785 177.617 175.800 0.055 0.000 1.124 121 F CA 0.545 58.578 58.000 0.055 0.000 1.426 121 F CB -0.718 38.306 39.000 0.039 0.000 1.120 121 F HN 0.421 nan 8.300 nan 0.000 0.583 122 G N 0.359 109.282 108.800 0.205 0.000 2.698 122 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.337 122 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.337 122 G C 0.690 175.669 174.900 0.132 0.000 1.286 122 G CA 0.558 45.739 45.100 0.135 0.000 1.000 122 G HN 0.269 nan 8.290 nan 0.000 0.547 123 Q N 2.145 122.015 119.800 0.115 0.000 2.341 123 Q HA 0.385 4.724 4.340 -0.000 0.000 0.325 123 Q C 1.123 177.198 176.000 0.125 0.000 0.920 123 Q CA 0.542 56.408 55.803 0.106 0.000 1.065 123 Q CB 0.224 29.016 28.738 0.090 0.000 1.218 123 Q HN 0.789 nan 8.270 nan 0.000 0.434 124 G N 0.440 109.332 108.800 0.154 0.000 2.684 124 G HA2 0.092 4.052 3.960 -0.000 0.000 0.255 124 G HA3 0.092 4.052 3.960 -0.000 0.000 0.255 124 G C 0.971 175.949 174.900 0.131 0.000 1.219 124 G CA -0.516 44.689 45.100 0.175 0.000 0.901 124 G HN 0.348 nan 8.290 nan 0.000 0.548 125 L N 0.491 121.794 121.223 0.132 0.000 2.013 125 L HA -0.140 4.199 4.340 -0.000 0.000 0.212 125 L C 2.944 179.851 176.870 0.062 0.000 1.073 125 L CA 1.877 56.797 54.840 0.132 0.000 0.753 125 L CB -0.478 41.655 42.059 0.123 0.000 0.890 125 L HN 0.308 nan 8.230 nan 0.000 0.432 126 V N -1.413 118.455 119.914 -0.077 0.000 2.591 126 V HA -0.117 4.003 4.120 -0.000 0.000 0.249 126 V C 2.387 178.321 176.094 -0.267 0.000 1.053 126 V CA 1.341 63.530 62.300 -0.185 0.000 1.068 126 V CB -1.114 30.570 31.823 -0.232 0.000 0.689 126 V HN 0.645 nan 8.190 nan 0.000 0.462 127 S N -0.082 115.531 115.700 -0.144 0.000 2.478 127 S HA 0.019 4.489 4.470 -0.000 0.000 0.222 127 S C 0.905 175.449 174.600 -0.094 0.000 1.008 127 S CA 0.155 58.287 58.200 -0.113 0.000 0.928 127 S CB -0.212 63.003 63.200 0.026 0.000 0.781 127 S HN 0.577 nan 8.310 nan 0.000 0.518 128 E N 0.622 120.803 120.200 -0.031 0.000 2.384 128 E HA 0.222 4.572 4.350 -0.000 0.000 0.266 128 E C 0.075 176.648 176.600 -0.045 0.000 1.012 128 E CA -0.025 56.393 56.400 0.029 0.000 0.901 128 E CB 0.528 30.310 29.700 0.137 0.000 0.967 128 E HN 0.263 nan 8.360 nan 0.000 0.435 129 C N 3.865 123.162 119.300 -0.006 0.000 3.123 129 C HA 0.253 4.713 4.460 -0.000 0.000 0.399 129 C C 0.775 175.799 174.990 0.057 0.000 1.320 129 C CA -0.398 58.601 59.018 -0.031 0.000 1.949 129 C CB -0.601 27.136 27.740 -0.005 0.000 2.692 129 C HN 0.801 nan 8.230 nan 0.000 0.623 130 N N 0.601 119.367 118.700 0.111 0.000 2.475 130 N HA -0.044 4.696 4.740 -0.000 0.000 0.267 130 N C 0.577 176.240 175.510 0.254 0.000 1.169 130 N CA 0.168 53.314 53.050 0.161 0.000 0.947 130 N CB 0.457 39.025 38.487 0.135 0.000 1.061 130 N HN 0.531 nan 8.380 nan 0.000 0.466 131 Y N 4.382 124.776 120.300 0.156 0.000 2.053 131 Y HA -0.247 4.302 4.550 -0.000 0.000 0.277 131 Y C 1.881 177.992 175.900 0.351 0.000 1.159 131 Y CA 1.778 60.026 58.100 0.247 0.000 1.125 131 Y CB 0.192 38.728 38.460 0.127 0.000 0.969 131 Y HN 0.610 nan 8.280 nan 0.000 0.492 132 E N 0.354 120.700 120.200 0.244 0.000 2.051 132 E HA -0.214 4.135 4.350 -0.000 0.000 0.192 132 E C 2.319 178.973 176.600 0.090 0.000 0.991 132 E CA 1.412 57.878 56.400 0.109 0.000 0.799 132 E CB -0.438 29.331 29.700 0.114 0.000 0.748 132 E HN 0.537 nan 8.360 nan 0.000 0.449 133 R N -0.397 120.179 120.500 0.126 0.000 2.091 133 R HA -0.175 4.165 4.340 -0.000 0.000 0.238 133 R C 2.200 178.574 176.300 0.123 0.000 1.136 133 R CA 1.632 57.798 56.100 0.109 0.000 0.959 133 R CB -0.460 29.910 30.300 0.117 0.000 0.856 133 R HN 0.275 nan 8.270 nan 0.000 0.437 134 W N 0.898 122.191 121.300 -0.011 0.000 2.388 134 W HA -0.188 4.472 4.660 -0.000 0.000 0.294 134 W C 2.216 178.699 176.519 -0.059 0.000 1.212 134 W CA 1.462 58.789 57.345 -0.030 0.000 1.271 134 W CB -0.394 29.048 29.460 -0.031 0.000 1.126 134 W HN 0.142 nan 8.180 nan 0.000 0.535 135 H N 1.168 120.032 119.070 -0.344 0.000 2.290 135 H HA -0.196 4.360 4.556 -0.000 0.000 0.298 135 H C 2.145 177.179 175.328 -0.491 0.000 1.087 135 H CA 2.426 58.082 56.048 -0.653 0.000 1.291 135 H CB -0.475 29.022 29.762 -0.441 0.000 1.369 135 H HN 0.207 nan 8.280 nan 0.000 0.492 136 K N 0.511 120.872 120.400 -0.065 0.000 2.032 136 K HA -0.211 4.109 4.320 -0.000 0.000 0.209 136 K C 2.429 178.951 176.600 -0.130 0.000 1.048 136 K CA 2.191 58.453 56.287 -0.042 0.000 0.927 136 K CB -0.022 32.471 32.500 -0.012 0.000 0.712 136 K HN 0.582 nan 8.250 nan 0.000 0.441 137 Q N -0.370 119.326 119.800 -0.173 0.000 2.187 137 Q HA -0.151 4.189 4.340 -0.000 0.000 0.199 137 Q C 2.064 177.926 176.000 -0.230 0.000 0.957 137 Q CA 0.858 56.576 55.803 -0.142 0.000 0.857 137 Q CB -0.267 28.439 28.738 -0.054 0.000 0.929 137 Q HN 0.071 nan 8.270 nan 0.000 0.453 138 R N 1.356 121.548 120.500 -0.513 0.000 2.080 138 R HA -0.090 4.250 4.340 -0.000 0.000 0.236 138 R C 1.969 178.045 176.300 -0.373 0.000 1.137 138 R CA 1.807 57.551 56.100 -0.593 0.000 0.943 138 R CB -0.272 29.219 30.300 -1.348 0.000 0.846 138 R HN 0.153 nan 8.270 nan 0.000 0.431 139 R N -0.661 119.584 120.500 -0.424 0.000 2.237 139 R HA 0.039 4.379 4.340 -0.000 0.000 0.219 139 R C 1.870 178.098 176.300 -0.121 0.000 1.080 139 R CA 0.856 56.807 56.100 -0.249 0.000 0.995 139 R CB -0.099 30.052 30.300 -0.247 0.000 0.875 139 R HN 0.149 nan 8.270 nan 0.000 0.462 140 V N -0.416 119.432 119.914 -0.110 0.000 2.500 140 V HA -0.047 4.073 4.120 -0.000 0.000 0.243 140 V C 1.804 177.879 176.094 -0.030 0.000 1.039 140 V CA 1.181 63.447 62.300 -0.056 0.000 1.053 140 V CB -0.107 31.687 31.823 -0.047 0.000 0.695 140 V HN 0.205 nan 8.190 nan 0.000 0.463 141 I N 0.232 120.793 120.570 -0.014 0.000 2.676 141 I HA -0.164 4.006 4.170 -0.000 0.000 0.259 141 I C 2.034 178.250 176.117 0.166 0.000 1.194 141 I CA 0.935 62.267 61.300 0.054 0.000 1.473 141 I CB -0.369 37.702 38.000 0.120 0.000 1.096 141 I HN 0.280 nan 8.210 nan 0.000 0.443 142 D N 0.889 121.351 120.400 0.104 0.000 2.190 142 D HA -0.169 4.471 4.640 -0.000 0.000 0.200 142 D C 2.161 178.551 176.300 0.149 0.000 0.992 142 D CA 1.091 55.179 54.000 0.147 0.000 0.854 142 D CB -0.039 40.776 40.800 0.024 0.000 0.936 142 D HN 0.148 nan 8.370 nan 0.000 0.462 143 L N 0.271 121.525 121.223 0.051 0.000 2.131 143 L HA -0.046 4.294 4.340 -0.000 0.000 0.210 143 L C 2.203 179.045 176.870 -0.048 0.000 1.092 143 L CA 0.967 55.808 54.840 0.002 0.000 0.759 143 L CB -1.247 40.796 42.059 -0.027 0.000 0.903 143 L HN -0.029 nan 8.230 nan 0.000 0.435 144 A N -1.771 120.982 122.820 -0.112 0.000 2.216 144 A HA -0.089 4.231 4.320 -0.000 0.000 0.214 144 A C 1.337 178.594 177.584 -0.545 0.000 1.160 144 A CA 0.756 52.579 52.037 -0.356 0.000 0.725 144 A CB -0.509 18.175 19.000 -0.527 0.000 0.784 144 A HN 0.386 nan 8.150 nan 0.000 0.472 145 F N -0.076 119.887 119.950 0.022 0.000 2.791 145 F HA 0.163 4.690 4.527 -0.000 0.000 0.316 145 F C 1.162 176.980 175.800 0.030 0.000 1.134 145 F CA -0.026 58.014 58.000 0.066 0.000 1.222 145 F CB 0.205 39.261 39.000 0.093 0.000 1.034 145 F HN 0.142 nan 8.300 nan 0.000 0.516 146 S N -0.295 115.463 115.700 0.098 0.000 2.600 146 S HA 0.175 4.645 4.470 -0.000 0.000 0.265 146 S C 1.509 176.111 174.600 0.003 0.000 1.325 146 S CA -0.609 57.618 58.200 0.045 0.000 1.002 146 S CB 1.248 64.450 63.200 0.002 0.000 0.921 146 S HN 0.442 nan 8.310 nan 0.000 0.554 147 R N 1.038 121.525 120.500 -0.021 0.000 2.096 147 R HA -0.154 4.186 4.340 -0.000 0.000 0.240 147 R C 2.402 178.596 176.300 -0.176 0.000 1.139 147 R CA 2.289 58.334 56.100 -0.090 0.000 0.952 147 R CB -0.904 29.351 30.300 -0.075 0.000 0.854 147 R HN 0.877 nan 8.270 nan 0.000 0.436 148 S N -0.782 114.839 115.700 -0.132 0.000 2.383 148 S HA -0.054 4.416 4.470 -0.000 0.000 0.227 148 S C 2.076 176.586 174.600 -0.149 0.000 1.026 148 S CA 1.226 59.338 58.200 -0.146 0.000 0.981 148 S CB -0.210 62.929 63.200 -0.102 0.000 0.818 148 S HN 0.303 nan 8.310 nan 0.000 0.472 149 S N 2.277 117.904 115.700 -0.122 0.000 2.382 149 S HA 0.114 4.584 4.470 -0.000 0.000 0.228 149 S C 1.797 176.301 174.600 -0.161 0.000 1.027 149 S CA 1.246 59.364 58.200 -0.136 0.000 0.991 149 S CB -0.552 62.570 63.200 -0.130 0.000 0.823 149 S HN 0.431 nan 8.310 nan 0.000 0.469 150 L N 0.831 121.975 121.223 -0.131 0.000 2.109 150 L HA -0.026 4.314 4.340 -0.000 0.000 0.207 150 L C 2.260 179.007 176.870 -0.204 0.000 1.086 150 L CA 0.682 55.449 54.840 -0.122 0.000 0.760 150 L CB -0.559 41.503 42.059 0.005 0.000 0.910 150 L HN 0.176 nan 8.230 nan 0.000 0.437 151 V N -0.904 118.846 119.914 -0.273 0.000 2.490 151 V HA -0.237 3.883 4.120 -0.000 0.000 0.250 151 V C 2.428 178.400 176.094 -0.204 0.000 1.061 151 V CA 1.822 63.946 62.300 -0.294 0.000 1.064 151 V CB -0.321 31.252 31.823 -0.417 0.000 0.670 151 V HN 0.389 nan 8.190 nan 0.000 0.461 152 S N 0.173 115.750 115.700 -0.204 0.000 2.469 152 S HA 0.001 4.470 4.470 -0.000 0.000 0.238 152 S C 1.580 176.034 174.600 -0.243 0.000 0.998 152 S CA 1.029 59.120 58.200 -0.181 0.000 0.957 152 S CB -0.244 62.860 63.200 -0.160 0.000 0.764 152 S HN 0.539 nan 8.310 nan 0.000 0.514 153 L N 0.348 121.344 121.223 -0.378 0.000 2.592 153 L HA 0.189 4.529 4.340 -0.000 0.000 0.227 153 L C 1.958 178.337 176.870 -0.819 0.000 1.127 153 L CA -0.024 54.423 54.840 -0.656 0.000 0.884 153 L CB -0.388 41.090 42.059 -0.968 0.000 1.065 153 L HN 0.251 nan 8.230 nan 0.000 0.457 154 M N -0.030 119.322 119.600 -0.415 0.000 2.202 154 M HA -0.198 4.282 4.480 -0.000 0.000 0.262 154 M C 1.949 178.204 176.300 -0.074 0.000 1.063 154 M CA 1.661 56.846 55.300 -0.191 0.000 1.097 154 M CB -0.668 31.935 32.600 0.005 0.000 1.382 154 M HN 0.214 nan 8.290 nan 0.000 0.413 155 E N -0.389 119.809 120.200 -0.003 0.000 2.072 155 E HA -0.104 4.246 4.350 -0.000 0.000 0.191 155 E C 1.972 178.591 176.600 0.033 0.000 0.985 155 E CA 1.805 58.278 56.400 0.122 0.000 0.801 155 E CB -0.186 29.555 29.700 0.069 0.000 0.750 155 E HN 0.426 nan 8.360 nan 0.000 0.452 156 T N 0.677 115.165 114.554 -0.111 0.000 2.684 156 T HA -0.153 4.197 4.350 -0.000 0.000 0.267 156 T C 1.347 176.091 174.700 0.074 0.000 1.036 156 T CA 1.181 63.236 62.100 -0.075 0.000 1.148 156 T CB -0.356 68.400 68.868 -0.187 0.000 0.863 156 T HN 0.055 nan 8.240 nan 0.000 0.436 157 F N 2.085 122.017 119.950 -0.029 0.000 2.075 157 F HA -0.029 4.498 4.527 -0.000 0.000 0.297 157 F C 2.495 178.282 175.800 -0.021 0.000 1.113 157 F CA 0.153 58.132 58.000 -0.036 0.000 1.218 157 F CB -1.234 37.720 39.000 -0.077 0.000 0.984 157 F HN 0.156 nan 8.300 nan 0.000 0.472 158 N N 0.261 119.053 118.700 0.153 0.000 2.166 158 N HA -0.160 4.580 4.740 -0.000 0.000 0.186 158 N C 1.871 177.453 175.510 0.120 0.000 1.019 158 N CA 0.978 54.070 53.050 0.069 0.000 0.856 158 N CB -0.242 38.200 38.487 -0.075 0.000 0.993 158 N HN 0.443 nan 8.380 nan 0.000 0.426 159 E N 0.755 121.035 120.200 0.135 0.000 2.023 159 E HA -0.160 4.189 4.350 -0.000 0.000 0.196 159 E C 1.710 178.369 176.600 0.099 0.000 1.003 159 E CA 1.073 57.539 56.400 0.111 0.000 0.809 159 E CB 0.139 29.891 29.700 0.087 0.000 0.755 159 E HN 0.199 nan 8.360 nan 0.000 0.449 160 K N 0.131 120.597 120.400 0.110 0.000 2.097 160 K HA -0.047 4.273 4.320 -0.000 0.000 0.205 160 K C 1.970 178.629 176.600 0.099 0.000 1.050 160 K CA 0.946 57.297 56.287 0.107 0.000 0.938 160 K CB -0.358 32.218 32.500 0.127 0.000 0.718 160 K HN 0.084 nan 8.250 nan 0.000 0.442 161 A N 1.518 124.396 122.820 0.097 0.000 1.898 161 A HA -0.184 4.136 4.320 -0.000 0.000 0.216 161 A C 2.222 179.850 177.584 0.074 0.000 1.181 161 A CA 1.812 53.894 52.037 0.076 0.000 0.620 161 A CB -0.348 18.687 19.000 0.058 0.000 0.819 161 A HN 0.302 nan 8.150 nan 0.000 0.442 162 E N -0.136 120.110 120.200 0.077 0.000 2.106 162 E HA -0.192 4.158 4.350 -0.000 0.000 0.192 162 E C 2.088 178.729 176.600 0.068 0.000 0.984 162 E CA 1.607 58.051 56.400 0.073 0.000 0.806 162 E CB -0.342 29.408 29.700 0.084 0.000 0.750 162 E HN 0.691 nan 8.360 nan 0.000 0.458 163 Q N -0.532 119.311 119.800 0.071 0.000 2.084 163 Q HA -0.155 4.185 4.340 -0.000 0.000 0.202 163 Q C 2.159 178.201 176.000 0.070 0.000 0.978 163 Q CA 1.529 57.371 55.803 0.065 0.000 0.844 163 Q CB -0.202 28.576 28.738 0.066 0.000 0.898 163 Q HN 0.384 nan 8.270 nan 0.000 0.426 164 L N -0.206 121.066 121.223 0.081 0.000 2.017 164 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 164 L C 2.118 179.039 176.870 0.086 0.000 1.073 164 L CA 1.551 56.446 54.840 0.091 0.000 0.745 164 L CB -0.664 41.452 42.059 0.096 0.000 0.894 164 L HN 0.067 nan 8.230 nan 0.000 0.432 165 V N -0.129 119.832 119.914 0.078 0.000 2.343 165 V HA -0.296 3.824 4.120 -0.000 0.000 0.247 165 V C 2.561 178.684 176.094 0.048 0.000 1.051 165 V CA 2.099 64.440 62.300 0.068 0.000 1.036 165 V CB -0.646 31.214 31.823 0.063 0.000 0.654 165 V HN 0.518 nan 8.190 nan 0.000 0.451 166 E N -0.204 120.024 120.200 0.047 0.000 2.085 166 E HA -0.214 4.136 4.350 -0.000 0.000 0.194 166 E C 2.139 178.759 176.600 0.033 0.000 0.994 166 E CA 1.576 57.997 56.400 0.036 0.000 0.801 166 E CB -0.213 29.509 29.700 0.036 0.000 0.743 166 E HN 0.575 nan 8.360 nan 0.000 0.453 167 I N 0.737 121.334 120.570 0.044 0.000 2.226 167 I HA -0.288 3.882 4.170 -0.000 0.000 0.245 167 I C 2.224 178.366 176.117 0.042 0.000 1.100 167 I CA 1.028 62.355 61.300 0.045 0.000 1.374 167 I CB -0.164 37.872 38.000 0.061 0.000 1.057 167 I HN 0.109 nan 8.210 nan 0.000 0.413 168 L N 0.059 121.311 121.223 0.049 0.000 2.093 168 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 168 L C 2.383 179.249 176.870 -0.007 0.000 1.085 168 L CA 1.238 56.098 54.840 0.035 0.000 0.755 168 L CB -0.576 41.520 42.059 0.062 0.000 0.904 168 L HN 0.232 nan 8.230 nan 0.000 0.435 169 E N 0.231 120.427 120.200 -0.006 0.000 2.265 169 E HA -0.198 4.152 4.350 -0.000 0.000 0.196 169 E C 2.201 178.793 176.600 -0.013 0.000 0.996 169 E CA 0.958 57.346 56.400 -0.020 0.000 0.832 169 E CB -0.058 29.636 29.700 -0.009 0.000 0.756 169 E HN 0.509 nan 8.360 nan 0.000 0.491 170 A N 1.049 123.869 122.820 -0.000 0.000 2.016 170 A HA -0.092 4.228 4.320 -0.000 0.000 0.217 170 A C 1.689 179.273 177.584 -0.001 0.000 1.162 170 A CA 0.867 52.905 52.037 0.002 0.000 0.662 170 A CB 0.063 19.069 19.000 0.010 0.000 0.812 170 A HN -0.001 nan 8.150 nan 0.000 0.450 171 K N -0.103 120.296 120.400 -0.001 0.000 2.387 171 K HA 0.321 4.641 4.320 -0.000 0.000 0.198 171 K C 0.552 177.140 176.600 -0.020 0.000 1.022 171 K CA 0.359 56.645 56.287 -0.002 0.000 1.128 171 K CB 0.376 32.883 32.500 0.011 0.000 0.853 171 K HN 0.303 nan 8.250 nan 0.000 0.523 172 A N 2.384 125.184 122.820 -0.033 0.000 3.033 172 A HA 0.002 4.322 4.320 -0.000 0.000 0.250 172 A C 0.387 177.944 177.584 -0.044 0.000 1.633 172 A CA -0.074 51.928 52.037 -0.058 0.000 1.290 172 A CB -0.481 18.473 19.000 -0.077 0.000 1.048 172 A HN 0.291 nan 8.150 nan 0.000 0.648 173 D N -1.350 119.032 120.400 -0.031 0.000 2.360 173 D HA 0.199 4.839 4.640 -0.000 0.000 0.210 173 D C 1.127 177.413 176.300 -0.023 0.000 1.047 173 D CA 0.651 54.637 54.000 -0.023 0.000 0.854 173 D CB -0.298 40.493 40.800 -0.014 0.000 0.936 173 D HN 0.754 nan 8.370 nan 0.000 0.514 174 G N 0.437 109.219 108.800 -0.029 0.000 2.136 174 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.242 174 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.242 174 G C 0.717 175.610 174.900 -0.013 0.000 0.989 174 G CA 0.520 45.605 45.100 -0.025 0.000 0.682 174 G HN 0.459 nan 8.290 nan 0.000 0.522 175 Q N -0.986 118.808 119.800 -0.010 0.000 2.089 175 Q HA 0.162 4.502 4.340 -0.000 0.000 0.227 175 Q C 0.207 176.206 176.000 -0.001 0.000 0.774 175 Q CA 0.509 56.309 55.803 -0.004 0.000 0.960 175 Q CB 1.094 29.829 28.738 -0.004 0.000 1.179 175 Q HN 0.401 nan 8.270 nan 0.000 0.460 176 T N 3.910 118.463 114.554 -0.001 0.000 2.728 176 T HA 0.265 4.614 4.350 -0.000 0.000 0.296 176 T C -2.527 172.179 174.700 0.010 0.000 0.940 176 T CA -1.310 60.792 62.100 0.005 0.000 1.013 176 T CB 0.860 69.732 68.868 0.006 0.000 0.912 176 T HN -0.030 nan 8.240 nan 0.000 0.484 177 P HA 0.290 nan 4.420 nan 0.000 0.276 177 P C -0.951 176.362 177.300 0.021 0.000 1.253 177 P CA -0.293 62.814 63.100 0.012 0.000 0.766 177 P CB 0.604 32.307 31.700 0.006 0.000 0.845 178 V N 2.812 122.743 119.914 0.029 0.000 2.483 178 V HA 0.236 4.356 4.120 -0.000 0.000 0.297 178 V C 0.530 176.641 176.094 0.027 0.000 1.027 178 V CA -0.636 61.690 62.300 0.043 0.000 0.855 178 V CB 1.809 33.673 31.823 0.068 0.000 0.995 178 V HN 0.565 nan 8.190 nan 0.000 0.424 179 S N 5.466 121.173 115.700 0.010 0.000 2.405 179 S HA 0.222 4.692 4.470 -0.000 0.000 0.291 179 S C 1.270 175.841 174.600 -0.049 0.000 1.137 179 S CA -0.619 57.562 58.200 -0.033 0.000 1.061 179 S CB 0.268 63.440 63.200 -0.046 0.000 1.001 179 S HN 0.591 nan 8.310 nan 0.000 0.507 180 M N 3.755 123.315 119.600 -0.066 0.000 2.229 180 M HA -0.065 4.415 4.480 -0.000 0.000 0.264 180 M C 2.075 178.285 176.300 -0.150 0.000 1.063 180 M CA 1.294 56.539 55.300 -0.092 0.000 1.114 180 M CB -1.485 31.029 32.600 -0.143 0.000 1.387 180 M HN 0.833 nan 8.290 nan 0.000 0.420 181 Q N 1.241 120.935 119.800 -0.176 0.000 2.014 181 Q HA -0.211 4.129 4.340 -0.000 0.000 0.207 181 Q C 1.418 177.274 176.000 -0.241 0.000 0.993 181 Q CA 2.418 58.097 55.803 -0.208 0.000 0.850 181 Q CB -0.193 28.423 28.738 -0.203 0.000 0.916 181 Q HN 0.386 nan 8.270 nan 0.000 0.417 182 D N -0.827 119.410 120.400 -0.272 0.000 2.097 182 D HA -0.159 4.481 4.640 -0.000 0.000 0.195 182 D C 1.796 177.635 176.300 -0.769 0.000 0.989 182 D CA 1.339 55.025 54.000 -0.522 0.000 0.827 182 D CB -0.168 40.404 40.800 -0.379 0.000 0.966 182 D HN 0.301 nan 8.370 nan 0.000 0.456 183 M N -0.096 119.312 119.600 -0.319 0.000 2.159 183 M HA -0.060 4.420 4.480 -0.000 0.000 0.263 183 M C 2.244 178.513 176.300 -0.053 0.000 1.063 183 M CA 0.953 56.213 55.300 -0.065 0.000 1.110 183 M CB -0.796 31.844 32.600 0.067 0.000 1.374 183 M HN 0.080 nan 8.290 nan 0.000 0.411 184 L N -1.022 120.137 121.223 -0.108 0.000 2.313 184 L HA -0.105 4.235 4.340 -0.000 0.000 0.214 184 L C 2.242 179.078 176.870 -0.057 0.000 1.119 184 L CA 0.744 55.544 54.840 -0.066 0.000 0.809 184 L CB -0.765 41.235 42.059 -0.098 0.000 0.933 184 L HN 0.274 nan 8.230 nan 0.000 0.449 185 T N -1.395 113.069 114.554 -0.152 0.000 2.812 185 T HA -0.141 4.209 4.350 -0.000 0.000 0.264 185 T C 1.700 176.419 174.700 0.031 0.000 1.042 185 T CA 1.154 63.202 62.100 -0.086 0.000 1.140 185 T CB -0.258 68.498 68.868 -0.187 0.000 0.870 185 T HN 0.152 nan 8.240 nan 0.000 0.445 186 Y N 2.243 122.583 120.300 0.067 0.000 2.181 186 Y HA -0.110 4.440 4.550 -0.000 0.000 0.288 186 Y C 2.978 178.915 175.900 0.061 0.000 1.146 186 Y CA 0.528 58.665 58.100 0.061 0.000 1.164 186 Y CB -1.754 36.738 38.460 0.054 0.000 0.982 186 Y HN 0.194 nan 8.280 nan 0.000 0.515 187 T N 0.109 114.788 114.554 0.208 0.000 2.674 187 T HA -0.215 4.135 4.350 -0.000 0.000 0.265 187 T C 2.275 177.059 174.700 0.140 0.000 1.039 187 T CA 1.617 63.807 62.100 0.150 0.000 1.150 187 T CB -0.782 68.150 68.868 0.107 0.000 0.864 187 T HN 0.414 nan 8.240 nan 0.000 0.427 188 A N 1.253 124.155 122.820 0.136 0.000 1.933 188 A HA -0.047 4.273 4.320 -0.000 0.000 0.218 188 A C 2.268 179.954 177.584 0.169 0.000 1.175 188 A CA 1.887 54.026 52.037 0.170 0.000 0.628 188 A CB -0.666 18.442 19.000 0.180 0.000 0.814 188 A HN 0.415 nan 8.150 nan 0.000 0.444 189 M N 0.283 119.936 119.600 0.089 0.000 2.086 189 M HA -0.116 4.363 4.480 -0.000 0.000 0.261 189 M C 1.188 177.485 176.300 -0.004 0.000 1.067 189 M CA 2.198 57.407 55.300 -0.151 0.000 1.116 189 M CB -0.638 31.843 32.600 -0.198 0.000 1.348 189 M HN 0.326 nan 8.290 nan 0.000 0.407 190 D N 0.100 120.551 120.400 0.086 0.000 2.123 190 D HA -0.140 4.500 4.640 -0.000 0.000 0.196 190 D C 2.094 178.467 176.300 0.122 0.000 0.992 190 D CA 1.639 55.701 54.000 0.103 0.000 0.833 190 D CB -0.381 40.485 40.800 0.110 0.000 0.954 190 D HN 0.462 nan 8.370 nan 0.000 0.455 191 I N 0.567 121.235 120.570 0.164 0.000 2.142 191 I HA -0.217 3.952 4.170 -0.000 0.000 0.240 191 I C 2.443 178.724 176.117 0.275 0.000 1.078 191 I CA 0.615 62.060 61.300 0.242 0.000 1.343 191 I CB -0.115 38.068 38.000 0.305 0.000 1.046 191 I HN 0.081 nan 8.210 nan 0.000 0.405 192 L N 0.988 122.368 121.223 0.262 0.000 2.017 192 L HA -0.218 4.122 4.340 -0.000 0.000 0.208 192 L C 2.707 179.699 176.870 0.203 0.000 1.073 192 L CA 2.435 57.429 54.840 0.257 0.000 0.745 192 L CB -1.040 41.115 42.059 0.161 0.000 0.894 192 L HN 0.273 nan 8.230 nan 0.000 0.432 193 A N 0.270 123.201 122.820 0.185 0.000 1.883 193 A HA -0.296 4.024 4.320 -0.000 0.000 0.217 193 A C 2.309 179.962 177.584 0.115 0.000 1.186 193 A CA 2.275 54.472 52.037 0.266 0.000 0.624 193 A CB -0.529 18.593 19.000 0.204 0.000 0.822 193 A HN 0.462 nan 8.150 nan 0.000 0.444 194 K N -0.110 120.325 120.400 0.058 0.000 2.062 194 K HA 0.144 4.464 4.320 -0.000 0.000 0.205 194 K C 1.944 178.546 176.600 0.003 0.000 1.051 194 K CA 1.576 57.864 56.287 0.002 0.000 0.941 194 K CB -0.506 31.997 32.500 0.006 0.000 0.719 194 K HN 0.293 nan 8.250 nan 0.000 0.440 195 A N 0.229 123.080 122.820 0.052 0.000 1.897 195 A HA 0.125 4.445 4.320 -0.000 0.000 0.215 195 A C 2.296 179.865 177.584 -0.024 0.000 1.181 195 A CA 1.678 53.730 52.037 0.026 0.000 0.620 195 A CB -0.779 18.306 19.000 0.142 0.000 0.821 195 A HN 0.411 nan 8.150 nan 0.000 0.443 196 A N -1.680 121.092 122.820 -0.080 0.000 1.887 196 A HA 0.356 4.676 4.320 -0.000 0.000 0.212 196 A C 1.521 178.799 177.584 -0.510 0.000 1.198 196 A CA 0.972 52.756 52.037 -0.422 0.000 0.628 196 A CB -0.287 18.266 19.000 -0.745 0.000 0.847 196 A HN 0.465 nan 8.150 nan 0.000 0.449 197 F N -0.913 119.101 119.950 0.106 0.000 2.682 197 F HA 0.388 4.915 4.527 -0.000 0.000 0.308 197 F C 1.685 177.465 175.800 -0.033 0.000 1.093 197 F CA 0.394 58.476 58.000 0.136 0.000 1.244 197 F CB 0.562 39.819 39.000 0.428 0.000 1.052 197 F HN 0.335 nan 8.300 nan 0.000 0.573 198 G N 0.904 109.722 108.800 0.030 0.000 2.168 198 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.257 198 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.257 198 G C 0.131 174.940 174.900 -0.153 0.000 0.997 198 G CA 0.146 45.214 45.100 -0.054 0.000 0.708 198 G HN 0.143 nan 8.290 nan 0.000 0.520 199 M N 0.245 119.669 119.600 -0.293 0.000 2.456 199 M HA 0.418 4.898 4.480 -0.000 0.000 0.324 199 M C -0.185 175.901 176.300 -0.355 0.000 1.124 199 M CA -0.742 54.244 55.300 -0.524 0.000 0.959 199 M CB 1.715 33.496 32.600 -1.364 0.000 1.692 199 M HN 0.007 nan 8.290 nan 0.000 0.444 200 E N 2.277 122.346 120.200 -0.217 0.000 2.046 200 E HA 0.195 4.545 4.350 -0.000 0.000 0.279 200 E C 0.828 177.418 176.600 -0.018 0.000 0.989 200 E CA 0.026 56.376 56.400 -0.083 0.000 0.798 200 E CB 1.067 30.742 29.700 -0.042 0.000 1.086 200 E HN 0.722 nan 8.360 nan 0.000 0.399 201 T N -1.276 113.307 114.554 0.048 0.000 2.857 201 T HA -0.111 4.239 4.350 -0.000 0.000 0.266 201 T C 0.950 175.711 174.700 0.102 0.000 1.048 201 T CA 0.306 62.498 62.100 0.153 0.000 1.139 201 T CB -0.055 68.952 68.868 0.231 0.000 0.874 201 T HN 0.352 nan 8.240 nan 0.000 0.455 202 S N 0.896 116.635 115.700 0.064 0.000 3.631 202 S HA -0.171 4.299 4.470 -0.000 0.000 0.366 202 S C 0.846 175.451 174.600 0.010 0.000 0.993 202 S CA 0.769 58.991 58.200 0.037 0.000 1.167 202 S CB -2.094 61.122 63.200 0.027 0.000 0.909 202 S HN 0.600 nan 8.310 nan 0.000 0.478 203 M N -0.438 119.169 119.600 0.012 0.000 2.288 203 M HA 0.031 4.511 4.480 -0.000 0.000 0.266 203 M C 2.001 178.150 176.300 -0.252 0.000 1.072 203 M CA 1.301 56.544 55.300 -0.095 0.000 1.132 203 M CB -0.261 32.353 32.600 0.023 0.000 1.386 203 M HN 0.470 nan 8.290 nan 0.000 0.432 204 L N 0.115 121.296 121.223 -0.069 0.000 2.187 204 L HA -0.165 4.174 4.340 -0.000 0.000 0.213 204 L C 1.741 178.572 176.870 -0.066 0.000 1.100 204 L CA 0.954 55.774 54.840 -0.033 0.000 0.765 204 L CB -0.314 41.784 42.059 0.066 0.000 0.904 204 L HN 0.337 nan 8.230 nan 0.000 0.437 205 L N -1.050 120.139 121.223 -0.057 0.000 2.700 205 L HA 0.273 4.613 4.340 -0.000 0.000 0.234 205 L C 1.331 178.164 176.870 -0.063 0.000 1.156 205 L CA 0.418 55.233 54.840 -0.041 0.000 0.946 205 L CB 0.065 42.118 42.059 -0.011 0.000 1.216 205 L HN 0.373 nan 8.230 nan 0.000 0.493 206 G N -0.004 108.722 108.800 -0.124 0.000 2.175 206 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.244 206 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.244 206 G C 0.367 175.224 174.900 -0.072 0.000 0.982 206 G CA 0.019 45.045 45.100 -0.122 0.000 0.641 206 G HN 0.481 nan 8.290 nan 0.000 0.527 207 A N -0.471 122.324 122.820 -0.042 0.000 2.257 207 A HA 0.683 5.003 4.320 -0.000 0.000 0.289 207 A C 1.184 178.791 177.584 0.038 0.000 1.095 207 A CA 0.955 52.997 52.037 0.010 0.000 0.836 207 A CB 0.224 19.243 19.000 0.032 0.000 1.111 207 A HN 1.221 nan 8.150 nan 0.000 0.497 208 Q N -0.675 119.176 119.800 0.085 0.000 2.451 208 Q HA -0.165 4.175 4.340 -0.000 0.000 0.305 208 Q C 0.631 176.701 176.000 0.118 0.000 1.345 208 Q CA 0.894 56.781 55.803 0.140 0.000 0.854 208 Q CB -1.308 27.556 28.738 0.211 0.000 1.162 208 Q HN 0.818 nan 8.270 nan 0.000 0.440 209 K N -0.603 119.838 120.400 0.069 0.000 2.057 209 K HA -0.077 4.243 4.320 -0.000 0.000 0.206 209 K C -0.701 175.933 176.600 0.057 0.000 1.050 209 K CA 1.346 57.665 56.287 0.052 0.000 0.935 209 K CB -0.608 31.904 32.500 0.021 0.000 0.715 209 K HN 0.297 nan 8.250 nan 0.000 0.439 210 P HA -0.128 nan 4.420 nan 0.000 0.218 210 P C 1.447 178.758 177.300 0.018 0.000 1.149 210 P CA 0.691 63.758 63.100 -0.057 0.000 0.817 210 P CB 0.081 31.679 31.700 -0.169 0.000 0.785 211 L N 0.157 121.502 121.223 0.204 0.000 2.072 211 L HA -0.091 4.249 4.340 -0.000 0.000 0.205 211 L C 2.118 179.151 176.870 0.272 0.000 1.079 211 L CA 2.177 57.228 54.840 0.352 0.000 0.752 211 L CB -1.493 40.807 42.059 0.402 0.000 0.906 211 L HN -0.020 nan 8.230 nan 0.000 0.436 212 S N -1.570 114.262 115.700 0.219 0.000 2.453 212 S HA -0.199 4.271 4.470 -0.000 0.000 0.231 212 S C 1.861 176.564 174.600 0.172 0.000 1.005 212 S CA 0.866 59.196 58.200 0.218 0.000 0.949 212 S CB -0.449 62.898 63.200 0.244 0.000 0.774 212 S HN 0.612 nan 8.310 nan 0.000 0.510 213 Q N 2.304 122.178 119.800 0.122 0.000 2.083 213 Q HA 0.202 4.542 4.340 -0.000 0.000 0.198 213 Q C 2.138 178.188 176.000 0.085 0.000 0.969 213 Q CA 1.579 57.428 55.803 0.078 0.000 0.838 213 Q CB -0.889 27.862 28.738 0.022 0.000 0.900 213 Q HN 0.551 nan 8.270 nan 0.000 0.436 214 A N -0.092 122.790 122.820 0.103 0.000 1.902 214 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 214 A C 2.270 179.956 177.584 0.169 0.000 1.181 214 A CA 1.662 53.779 52.037 0.133 0.000 0.623 214 A CB -0.873 18.267 19.000 0.232 0.000 0.818 214 A HN 0.290 nan 8.150 nan 0.000 0.443 215 V N 0.625 120.669 119.914 0.216 0.000 2.307 215 V HA -0.283 3.837 4.120 -0.000 0.000 0.245 215 V C 2.541 178.737 176.094 0.171 0.000 1.045 215 V CA 2.347 64.787 62.300 0.233 0.000 1.024 215 V CB -0.747 31.261 31.823 0.308 0.000 0.651 215 V HN 0.750 nan 8.190 nan 0.000 0.449 216 K N 0.246 120.732 120.400 0.144 0.000 2.020 216 K HA -0.230 4.090 4.320 -0.000 0.000 0.212 216 K C 2.129 178.783 176.600 0.091 0.000 1.050 216 K CA 2.044 58.394 56.287 0.104 0.000 0.929 216 K CB -0.323 32.229 32.500 0.088 0.000 0.714 216 K HN 0.415 nan 8.250 nan 0.000 0.443 217 L N 0.615 121.890 121.223 0.087 0.000 2.093 217 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 217 L C 2.854 179.782 176.870 0.098 0.000 1.085 217 L CA 0.682 55.569 54.840 0.078 0.000 0.755 217 L CB -0.385 41.709 42.059 0.058 0.000 0.904 217 L HN 0.398 nan 8.230 nan 0.000 0.435 218 M N 0.250 119.917 119.600 0.112 0.000 2.108 218 M HA -0.218 4.262 4.480 -0.000 0.000 0.261 218 M C 2.236 178.616 176.300 0.132 0.000 1.066 218 M CA 2.032 57.406 55.300 0.122 0.000 1.107 218 M CB -0.442 32.233 32.600 0.125 0.000 1.356 218 M HN 0.237 nan 8.290 nan 0.000 0.406 219 L N -0.467 120.831 121.223 0.126 0.000 2.217 219 L HA -0.172 4.168 4.340 -0.000 0.000 0.211 219 L C 2.176 179.107 176.870 0.102 0.000 1.107 219 L CA 0.925 55.834 54.840 0.115 0.000 0.783 219 L CB -0.576 41.540 42.059 0.094 0.000 0.919 219 L HN 0.330 nan 8.230 nan 0.000 0.442 220 E N 0.195 120.454 120.200 0.099 0.000 2.110 220 E HA -0.160 4.190 4.350 -0.000 0.000 0.193 220 E C 2.248 178.929 176.600 0.134 0.000 0.988 220 E CA 1.048 57.507 56.400 0.098 0.000 0.804 220 E CB -0.234 29.515 29.700 0.081 0.000 0.745 220 E HN 0.547 nan 8.360 nan 0.000 0.458 221 G N 1.104 110.000 108.800 0.161 0.000 2.448 221 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.218 221 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.218 221 G C 1.494 176.505 174.900 0.185 0.000 1.135 221 G CA 0.175 45.422 45.100 0.246 0.000 0.784 221 G HN 0.062 nan 8.290 nan 0.000 0.543 222 I N 1.848 122.495 120.570 0.129 0.000 2.142 222 I HA -0.131 4.039 4.170 -0.000 0.000 0.240 222 I C 2.895 179.040 176.117 0.046 0.000 1.078 222 I CA 1.578 62.922 61.300 0.074 0.000 1.343 222 I CB -1.643 36.411 38.000 0.091 0.000 1.046 222 I HN 0.103 nan 8.210 nan 0.000 0.405 223 T N 1.528 116.132 114.554 0.083 0.000 2.684 223 T HA -0.137 4.213 4.350 -0.000 0.000 0.267 223 T C 2.084 176.850 174.700 0.109 0.000 1.036 223 T CA 1.652 63.808 62.100 0.093 0.000 1.148 223 T CB -0.428 68.497 68.868 0.095 0.000 0.863 223 T HN 0.449 nan 8.240 nan 0.000 0.436 224 A N 2.244 125.152 122.820 0.147 0.000 1.835 224 A HA -0.119 4.201 4.320 -0.000 0.000 0.215 224 A C 2.660 180.345 177.584 0.168 0.000 1.199 224 A CA 2.404 54.566 52.037 0.208 0.000 0.615 224 A CB -1.185 18.012 19.000 0.329 0.000 0.838 224 A HN 0.606 nan 8.150 nan 0.000 0.444 225 S N 0.889 116.592 115.700 0.005 0.000 2.383 225 S HA -0.244 4.226 4.470 -0.000 0.000 0.229 225 S C 1.863 176.404 174.600 -0.098 0.000 1.030 225 S CA 1.455 59.456 58.200 -0.331 0.000 1.002 225 S CB -0.550 62.141 63.200 -0.849 0.000 0.829 225 S HN 0.774 nan 8.310 nan 0.000 0.467 226 R N 0.814 121.273 120.500 -0.068 0.000 2.310 226 R HA 0.264 4.604 4.340 -0.000 0.000 0.202 226 R C 0.078 176.365 176.300 -0.021 0.000 0.933 226 R CA 0.368 56.427 56.100 -0.068 0.000 1.054 226 R CB -0.255 29.875 30.300 -0.283 0.000 0.985 226 R HN 0.287 nan 8.270 nan 0.000 0.489 227 N N 1.044 119.780 118.700 0.060 0.000 2.466 227 N HA 0.091 4.831 4.740 -0.000 0.000 0.272 227 N C -0.836 174.818 175.510 0.239 0.000 1.455 227 N CA -0.068 52.998 53.050 0.028 0.000 0.875 227 N CB 1.553 40.098 38.487 0.097 0.000 1.372 227 N HN 0.083 nan 8.380 nan 0.000 0.492 237 R N 2.426 122.883 120.500 -0.071 0.000 2.092 237 R HA -0.019 4.320 4.340 -0.000 0.000 0.231 237 R C 2.050 178.303 176.300 -0.080 0.000 1.119 237 R CA 1.739 57.792 56.100 -0.079 0.000 0.970 237 R CB 0.135 30.404 30.300 -0.052 0.000 0.864 237 R HN 0.018 nan 8.270 nan 0.000 0.440 238 K N 0.060 120.423 120.400 -0.061 0.000 2.097 238 K HA -0.154 4.166 4.320 -0.000 0.000 0.205 238 K C 2.074 178.635 176.600 -0.064 0.000 1.050 238 K CA 1.136 57.391 56.287 -0.053 0.000 0.938 238 K CB 0.027 32.505 32.500 -0.037 0.000 0.718 238 K HN 0.131 nan 8.250 nan 0.000 0.442 239 Q N 0.549 120.305 119.800 -0.074 0.000 2.224 239 Q HA -0.122 4.218 4.340 -0.000 0.000 0.203 239 Q C 1.982 177.895 176.000 -0.144 0.000 0.970 239 Q CA 0.750 56.506 55.803 -0.079 0.000 0.865 239 Q CB 0.128 28.828 28.738 -0.064 0.000 0.922 239 Q HN 0.347 nan 8.270 nan 0.000 0.445 240 L N 0.289 121.382 121.223 -0.216 0.000 2.109 240 L HA -0.138 4.202 4.340 -0.000 0.000 0.207 240 L C 2.561 179.331 176.870 -0.167 0.000 1.086 240 L CA 1.402 56.047 54.840 -0.324 0.000 0.760 240 L CB -0.758 41.095 42.059 -0.343 0.000 0.910 240 L HN 0.272 nan 8.230 nan 0.000 0.437 241 R N -0.006 120.432 120.500 -0.104 0.000 2.062 241 R HA -0.184 4.156 4.340 -0.000 0.000 0.229 241 R C 2.030 178.308 176.300 -0.036 0.000 1.128 241 R CA 1.256 57.322 56.100 -0.057 0.000 0.960 241 R CB 0.100 30.371 30.300 -0.047 0.000 0.855 241 R HN 0.115 nan 8.270 nan 0.000 0.432 242 E N 0.104 120.282 120.200 -0.037 0.000 2.085 242 E HA -0.131 4.219 4.350 -0.000 0.000 0.194 242 E C 1.886 178.490 176.600 0.007 0.000 0.994 242 E CA 1.283 57.672 56.400 -0.018 0.000 0.801 242 E CB -0.121 29.569 29.700 -0.017 0.000 0.743 242 E HN 0.146 nan 8.360 nan 0.000 0.453 243 V N 0.473 120.396 119.914 0.014 0.000 2.358 243 V HA -0.218 3.902 4.120 -0.000 0.000 0.246 243 V C 2.265 178.407 176.094 0.079 0.000 1.047 243 V CA 1.740 64.082 62.300 0.068 0.000 1.035 243 V CB -0.346 31.549 31.823 0.121 0.000 0.658 243 V HN 0.207 nan 8.190 nan 0.000 0.452 244 R N -0.296 120.238 120.500 0.056 0.000 2.081 244 R HA -0.205 4.134 4.340 -0.000 0.000 0.235 244 R C 2.382 178.709 176.300 0.045 0.000 1.131 244 R CA 1.794 57.930 56.100 0.059 0.000 0.960 244 R CB -0.274 30.049 30.300 0.038 0.000 0.856 244 R HN 0.620 nan 8.270 nan 0.000 0.436 245 E N 0.188 120.405 120.200 0.029 0.000 2.072 245 E HA -0.124 4.226 4.350 -0.000 0.000 0.191 245 E C 1.757 178.393 176.600 0.060 0.000 0.985 245 E CA 1.228 57.645 56.400 0.027 0.000 0.801 245 E CB 0.178 29.874 29.700 -0.007 0.000 0.750 245 E HN 0.161 nan 8.360 nan 0.000 0.452 246 S N 0.522 116.257 115.700 0.059 0.000 2.368 246 S HA -0.117 4.353 4.470 -0.000 0.000 0.224 246 S C 1.945 176.615 174.600 0.116 0.000 1.029 246 S CA 0.925 59.184 58.200 0.098 0.000 0.988 246 S CB -0.154 63.095 63.200 0.082 0.000 0.838 246 S HN 0.279 nan 8.310 nan 0.000 0.462 247 I N 1.055 121.669 120.570 0.073 0.000 2.202 247 I HA -0.151 4.019 4.170 -0.000 0.000 0.242 247 I C 2.727 178.848 176.117 0.006 0.000 1.091 247 I CA 1.092 62.410 61.300 0.030 0.000 1.368 247 I CB -0.269 37.750 38.000 0.031 0.000 1.058 247 I HN 0.153 nan 8.210 nan 0.000 0.410 248 R N 0.052 120.570 120.500 0.030 0.000 2.105 248 R HA -0.204 4.136 4.340 -0.000 0.000 0.239 248 R C 2.357 178.659 176.300 0.005 0.000 1.135 248 R CA 1.765 57.870 56.100 0.009 0.000 0.967 248 R CB -0.417 29.899 30.300 0.026 0.000 0.861 248 R HN 0.294 nan 8.270 nan 0.000 0.442 249 F N 0.788 120.680 119.950 -0.095 0.000 2.146 249 F HA -0.195 4.332 4.527 -0.000 0.000 0.298 249 F C 1.852 177.536 175.800 -0.193 0.000 1.096 249 F CA 1.002 58.927 58.000 -0.124 0.000 1.275 249 F CB -0.008 38.941 39.000 -0.085 0.000 1.008 249 F HN -0.079 nan 8.300 nan 0.000 0.480 250 L N 0.692 121.810 121.223 -0.175 0.000 2.046 250 L HA -0.190 4.150 4.340 -0.000 0.000 0.208 250 L C 2.443 179.061 176.870 -0.421 0.000 1.077 250 L CA 1.767 56.406 54.840 -0.334 0.000 0.747 250 L CB -0.756 41.200 42.059 -0.171 0.000 0.896 250 L HN 0.029 nan 8.230 nan 0.000 0.432 251 R N -1.508 118.806 120.500 -0.310 0.000 2.148 251 R HA -0.159 4.181 4.340 -0.000 0.000 0.223 251 R C 2.183 178.201 176.300 -0.471 0.000 1.088 251 R CA 0.805 56.705 56.100 -0.333 0.000 0.985 251 R CB -0.197 29.988 30.300 -0.192 0.000 0.880 251 R HN 0.285 nan 8.270 nan 0.000 0.451 252 Q N 0.723 120.248 119.800 -0.458 0.000 2.119 252 Q HA -0.071 4.269 4.340 -0.000 0.000 0.201 252 Q C 1.890 177.477 176.000 -0.688 0.000 0.972 252 Q CA 1.355 56.873 55.803 -0.475 0.000 0.847 252 Q CB -0.003 28.524 28.738 -0.352 0.000 0.903 252 Q HN 0.095 nan 8.270 nan 0.000 0.433 253 V N -0.000 119.338 119.914 -0.959 0.000 2.407 253 V HA -0.185 3.935 4.120 -0.000 0.000 0.248 253 V C 2.154 177.377 176.094 -1.452 0.000 1.055 253 V CA 1.808 63.397 62.300 -1.186 0.000 1.049 253 V CB -1.243 29.801 31.823 -1.299 0.000 0.662 253 V HN 0.578 nan 8.190 nan 0.000 0.455 254 G N -0.123 107.669 108.800 -1.680 0.000 2.432 254 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.219 254 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.219 254 G C 1.745 176.021 174.900 -1.039 0.000 1.135 254 G CA 0.616 44.385 45.100 -2.218 0.000 0.767 254 G HN 0.455 nan 8.290 nan 0.000 0.550 255 R N 0.277 120.362 120.500 -0.692 0.000 2.092 255 R HA -0.019 4.321 4.340 -0.000 0.000 0.231 255 R C 2.177 178.295 176.300 -0.303 0.000 1.119 255 R CA 1.405 57.268 56.100 -0.395 0.000 0.970 255 R CB -0.261 29.859 30.300 -0.299 0.000 0.864 255 R HN 0.256 nan 8.270 nan 0.000 0.440 256 D N -0.334 119.851 120.400 -0.359 0.000 2.078 256 D HA -0.173 4.467 4.640 -0.000 0.000 0.193 256 D C 1.573 177.899 176.300 0.044 0.000 0.990 256 D CA 1.018 54.924 54.000 -0.157 0.000 0.827 256 D CB -0.222 40.479 40.800 -0.165 0.000 0.975 256 D HN 0.234 nan 8.370 nan 0.000 0.451 257 W N 0.713 121.871 121.300 -0.237 0.000 2.465 257 W HA 0.057 4.717 4.660 -0.000 0.000 0.268 257 W C 2.061 178.541 176.519 -0.064 0.000 1.242 257 W CA -0.007 57.271 57.345 -0.112 0.000 1.248 257 W CB -1.125 28.299 29.460 -0.061 0.000 1.118 257 W HN -0.106 nan 8.180 nan 0.000 0.587 258 V N 0.320 120.270 119.914 0.059 0.000 2.346 258 V HA -0.241 3.879 4.120 -0.000 0.000 0.244 258 V C 2.539 178.653 176.094 0.032 0.000 1.037 258 V CA 1.585 63.911 62.300 0.043 0.000 1.029 258 V CB -0.653 31.147 31.823 -0.039 0.000 0.663 258 V HN 0.023 nan 8.190 nan 0.000 0.454 259 Q N -0.137 119.662 119.800 -0.001 0.000 2.124 259 Q HA -0.184 4.156 4.340 -0.000 0.000 0.202 259 Q C 2.357 178.371 176.000 0.023 0.000 0.977 259 Q CA 1.512 57.315 55.803 -0.000 0.000 0.850 259 Q CB -0.385 28.340 28.738 -0.023 0.000 0.901 259 Q HN 0.519 nan 8.270 nan 0.000 0.429 260 R N 0.361 120.891 120.500 0.050 0.000 2.115 260 R HA -0.125 4.215 4.340 -0.000 0.000 0.230 260 R C 2.214 178.538 176.300 0.040 0.000 1.111 260 R CA 1.168 57.298 56.100 0.050 0.000 0.976 260 R CB 0.080 30.425 30.300 0.075 0.000 0.870 260 R HN -0.043 nan 8.270 nan 0.000 0.445 261 R N 0.498 121.032 120.500 0.057 0.000 2.073 261 R HA 0.006 4.346 4.340 -0.000 0.000 0.229 261 R C 1.898 178.217 176.300 0.031 0.000 1.120 261 R CA 1.549 57.679 56.100 0.049 0.000 0.967 261 R CB -0.143 30.206 30.300 0.082 0.000 0.862 261 R HN 0.101 nan 8.270 nan 0.000 0.436 262 R N -0.218 120.299 120.500 0.029 0.000 2.092 262 R HA -0.087 4.253 4.340 -0.000 0.000 0.231 262 R C 2.026 178.332 176.300 0.010 0.000 1.119 262 R CA 1.568 57.677 56.100 0.016 0.000 0.970 262 R CB -0.218 30.089 30.300 0.012 0.000 0.864 262 R HN 0.202 nan 8.270 nan 0.000 0.440 263 E N 0.553 120.759 120.200 0.010 0.000 2.204 263 E HA -0.070 4.280 4.350 -0.000 0.000 0.194 263 E C 1.653 178.255 176.600 0.004 0.000 0.989 263 E CA 1.207 57.610 56.400 0.006 0.000 0.824 263 E CB 0.014 29.718 29.700 0.006 0.000 0.756 263 E HN 0.340 nan 8.360 nan 0.000 0.477 264 A N -0.022 122.801 122.820 0.006 0.000 1.929 264 A HA -0.053 4.267 4.320 -0.000 0.000 0.216 264 A C 2.156 179.739 177.584 -0.000 0.000 1.176 264 A CA 0.910 52.948 52.037 0.001 0.000 0.628 264 A CB -0.481 18.520 19.000 0.001 0.000 0.816 264 A HN 0.315 nan 8.150 nan 0.000 0.444 265 L N -0.990 120.234 121.223 0.002 0.000 2.156 265 L HA -0.075 4.265 4.340 -0.000 0.000 0.208 265 L C 2.527 179.397 176.870 -0.001 0.000 1.095 265 L CA 1.360 56.200 54.840 -0.000 0.000 0.770 265 L CB -0.205 41.855 42.059 0.002 0.000 0.914 265 L HN 0.356 nan 8.230 nan 0.000 0.439 266 K N 0.649 121.049 120.400 -0.000 0.000 2.288 266 K HA -0.124 4.196 4.320 -0.000 0.000 0.201 266 K C 1.870 178.469 176.600 -0.002 0.000 1.048 266 K CA 0.683 56.970 56.287 -0.001 0.000 0.956 266 K CB 0.179 32.679 32.500 -0.001 0.000 0.746 266 K HN 0.312 nan 8.250 nan 0.000 0.461 267 R N -0.799 119.699 120.500 -0.003 0.000 2.356 267 R HA 0.115 4.455 4.340 -0.000 0.000 0.234 267 R C 0.477 176.774 176.300 -0.005 0.000 0.929 267 R CA 0.653 56.751 56.100 -0.004 0.000 1.084 267 R CB 0.095 30.393 30.300 -0.003 0.000 1.105 267 R HN 0.107 nan 8.270 nan 0.000 0.515 268 G N 1.105 109.902 108.800 -0.005 0.000 2.212 268 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.255 268 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.255 268 G C -0.582 174.312 174.900 -0.009 0.000 1.062 268 G CA 0.045 45.141 45.100 -0.007 0.000 0.815 268 G HN 0.548 nan 8.290 nan 0.000 0.497 269 E N 0.168 120.363 120.200 -0.009 0.000 2.313 269 E HA 0.326 4.676 4.350 -0.000 0.000 0.272 269 E C -0.012 176.579 176.600 -0.014 0.000 1.038 269 E CA -0.559 55.834 56.400 -0.011 0.000 0.863 269 E CB 0.842 30.536 29.700 -0.011 0.000 1.060 269 E HN 0.254 nan 8.360 nan 0.000 0.402 270 E N 2.181 122.371 120.200 -0.017 0.000 2.105 270 E HA 0.147 4.497 4.350 -0.000 0.000 0.285 270 E C -0.590 175.995 176.600 -0.024 0.000 1.055 270 E CA -0.254 56.134 56.400 -0.021 0.000 0.843 270 E CB 1.111 30.798 29.700 -0.022 0.000 1.067 270 E HN 0.257 nan 8.360 nan 0.000 0.398 271 V N 1.502 121.401 119.914 -0.025 0.000 2.513 271 V HA 0.572 4.692 4.120 -0.000 0.000 0.299 271 V C -2.245 173.825 176.094 -0.039 0.000 1.035 271 V CA -2.286 59.996 62.300 -0.030 0.000 0.889 271 V CB 0.980 32.789 31.823 -0.023 0.000 0.988 271 V HN 0.375 nan 8.190 nan 0.000 0.440 272 P HA 0.398 nan 4.420 nan 0.000 0.269 272 P C -0.209 177.049 177.300 -0.070 0.000 1.209 272 P CA 0.048 63.110 63.100 -0.063 0.000 0.776 272 P CB 0.564 32.220 31.700 -0.073 0.000 0.876 273 A N 2.586 125.359 122.820 -0.078 0.000 2.457 273 A HA 0.366 4.686 4.320 -0.000 0.000 0.298 273 A C 0.301 177.811 177.584 -0.123 0.000 1.288 273 A CA -0.301 51.683 52.037 -0.088 0.000 0.956 273 A CB -0.681 18.270 19.000 -0.081 0.000 1.135 273 A HN 0.608 nan 8.150 nan 0.000 0.535 274 D N 1.779 122.099 120.400 -0.132 0.000 2.668 274 D HA 0.366 5.006 4.640 -0.000 0.000 0.249 274 D C 0.938 177.090 176.300 -0.247 0.000 1.150 274 D CA -0.678 53.210 54.000 -0.188 0.000 1.090 274 D CB 0.046 40.748 40.800 -0.163 0.000 1.244 274 D HN 0.203 nan 8.370 nan 0.000 0.636 275 I N -0.658 119.704 120.570 -0.347 0.000 2.252 275 I HA -0.134 4.036 4.170 -0.000 0.000 0.245 275 I C 2.249 178.172 176.117 -0.325 0.000 1.102 275 I CA 0.623 61.645 61.300 -0.464 0.000 1.385 275 I CB -0.212 37.388 38.000 -0.667 0.000 1.064 275 I HN 0.212 nan 8.210 nan 0.000 0.414 276 L N 0.465 121.557 121.223 -0.218 0.000 2.079 276 L HA -0.203 4.136 4.340 -0.000 0.000 0.210 276 L C 2.403 179.298 176.870 0.041 0.000 1.081 276 L CA 2.105 56.981 54.840 0.061 0.000 0.752 276 L CB -0.921 41.297 42.059 0.265 0.000 0.896 276 L HN 0.180 nan 8.230 nan 0.000 0.433 277 T N -0.998 113.540 114.554 -0.027 0.000 2.821 277 T HA -0.135 4.215 4.350 -0.000 0.000 0.267 277 T C 1.799 176.478 174.700 -0.034 0.000 1.046 277 T CA 1.242 63.328 62.100 -0.023 0.000 1.139 277 T CB -0.132 68.709 68.868 -0.044 0.000 0.871 277 T HN 0.362 nan 8.240 nan 0.000 0.454 278 Q N 0.906 120.659 119.800 -0.077 0.000 2.172 278 Q HA 0.079 4.419 4.340 -0.000 0.000 0.200 278 Q C 2.497 178.474 176.000 -0.039 0.000 0.964 278 Q CA 0.799 56.559 55.803 -0.072 0.000 0.855 278 Q CB -0.523 28.148 28.738 -0.112 0.000 0.918 278 Q HN 0.762 nan 8.270 nan 0.000 0.444 279 I N -3.166 117.385 120.570 -0.032 0.000 2.617 279 I HA -0.118 4.052 4.170 -0.000 0.000 0.256 279 I C 1.951 178.106 176.117 0.064 0.000 1.167 279 I CA 0.710 62.033 61.300 0.039 0.000 1.469 279 I CB -0.346 37.711 38.000 0.096 0.000 1.098 279 I HN -0.031 nan 8.210 nan 0.000 0.436 280 L N 1.027 122.282 121.223 0.053 0.000 2.044 280 L HA -0.112 4.228 4.340 -0.000 0.000 0.205 280 L C 2.678 179.564 176.870 0.026 0.000 1.075 280 L CA 1.372 56.240 54.840 0.047 0.000 0.747 280 L CB -0.455 41.631 42.059 0.045 0.000 0.903 280 L HN 0.189 nan 8.230 nan 0.000 0.435 281 K N 0.574 120.981 120.400 0.012 0.000 2.097 281 K HA -0.117 4.203 4.320 -0.000 0.000 0.206 281 K C 1.939 178.542 176.600 0.005 0.000 1.049 281 K CA 1.447 57.735 56.287 0.003 0.000 0.933 281 K CB -0.245 32.249 32.500 -0.010 0.000 0.717 281 K HN 0.237 nan 8.250 nan 0.000 0.442 282 A N 0.426 123.252 122.820 0.010 0.000 2.067 282 A HA -0.051 4.269 4.320 -0.000 0.000 0.219 282 A C 1.024 178.622 177.584 0.024 0.000 1.158 282 A CA 1.248 53.293 52.037 0.013 0.000 0.661 282 A CB -0.193 18.819 19.000 0.020 0.000 0.801 282 A HN 0.265 nan 8.150 nan 0.000 0.452 283 E N 0.285 120.504 120.200 0.032 0.000 2.411 283 E HA 0.087 4.437 4.350 -0.000 0.000 0.204 283 E C -0.401 176.212 176.600 0.023 0.000 1.059 283 E CA -0.119 56.301 56.400 0.033 0.000 1.112 283 E CB -0.074 29.654 29.700 0.045 0.000 1.168 283 E HN 0.723 nan 8.360 nan 0.000 0.445 284 E N 0.139 120.349 120.200 0.016 0.000 2.104 284 E HA 0.267 4.617 4.350 -0.000 0.000 0.278 284 E C 0.656 177.262 176.600 0.011 0.000 1.127 284 E CA 0.229 56.636 56.400 0.011 0.000 0.897 284 E CB 0.048 29.752 29.700 0.007 0.000 1.043 284 E HN 0.358 nan 8.360 nan 0.000 0.410 285 G N 2.826 111.633 108.800 0.011 0.000 2.296 285 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.188 285 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.188 285 G C 0.231 175.138 174.900 0.012 0.000 1.000 285 G CA -0.223 44.883 45.100 0.010 0.000 0.672 285 G HN 0.784 nan 8.290 nan 0.000 0.483 286 A N 0.752 123.581 122.820 0.015 0.000 2.407 286 A HA 0.595 4.915 4.320 -0.000 0.000 0.248 286 A C 1.438 179.029 177.584 0.012 0.000 1.082 286 A CA 0.994 53.041 52.037 0.017 0.000 0.785 286 A CB 0.349 19.363 19.000 0.022 0.000 1.020 286 A HN 0.818 nan 8.150 nan 0.000 0.489 287 Q N 0.748 120.555 119.800 0.012 0.000 2.212 287 Q HA 0.012 4.352 4.340 -0.000 0.000 0.199 287 Q C -0.409 175.594 176.000 0.005 0.000 0.950 287 Q CA 1.147 56.954 55.803 0.008 0.000 0.863 287 Q CB -0.288 28.455 28.738 0.008 0.000 0.944 287 Q HN 0.865 nan 8.270 nan 0.000 0.465 288 D N -0.376 120.029 120.400 0.007 0.000 2.419 288 D HA 0.218 4.858 4.640 -0.000 0.000 0.234 288 D C -0.887 175.416 176.300 0.005 0.000 1.014 288 D CA -0.804 53.198 54.000 0.002 0.000 0.919 288 D CB 1.246 42.047 40.800 0.002 0.000 1.366 288 D HN -0.198 nan 8.370 nan 0.000 0.490 289 D N -0.264 120.133 120.400 -0.005 0.000 2.325 289 D HA 0.013 4.653 4.640 -0.000 0.000 0.225 289 D C 0.927 177.225 176.300 -0.003 0.000 1.096 289 D CA 0.056 54.053 54.000 -0.005 0.000 0.844 289 D CB 0.280 41.065 40.800 -0.024 0.000 0.925 289 D HN 0.353 nan 8.370 nan 0.000 0.513 290 E N 0.192 120.394 120.200 0.002 0.000 2.106 290 E HA -0.074 4.275 4.350 -0.000 0.000 0.192 290 E C 2.192 178.814 176.600 0.035 0.000 0.984 290 E CA 0.840 57.245 56.400 0.008 0.000 0.806 290 E CB -0.368 29.338 29.700 0.009 0.000 0.750 290 E HN 0.355 nan 8.360 nan 0.000 0.458 291 G N 1.508 110.336 108.800 0.046 0.000 2.408 291 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.217 291 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.217 291 G C 1.652 176.608 174.900 0.094 0.000 1.150 291 G CA 0.697 45.839 45.100 0.070 0.000 0.776 291 G HN 0.243 nan 8.290 nan 0.000 0.542 292 L N 0.275 121.545 121.223 0.078 0.000 2.093 292 L HA 0.159 4.499 4.340 -0.000 0.000 0.208 292 L C 2.551 179.500 176.870 0.133 0.000 1.085 292 L CA 1.325 56.227 54.840 0.103 0.000 0.755 292 L CB -0.286 41.813 42.059 0.068 0.000 0.904 292 L HN 0.188 nan 8.230 nan 0.000 0.435 293 L N -0.765 120.502 121.223 0.073 0.000 2.156 293 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 293 L C 2.192 179.143 176.870 0.135 0.000 1.095 293 L CA 0.842 55.718 54.840 0.060 0.000 0.770 293 L CB -0.812 41.219 42.059 -0.046 0.000 0.914 293 L HN 0.245 nan 8.230 nan 0.000 0.439 294 D N 0.266 120.740 120.400 0.123 0.000 2.106 294 D HA -0.207 4.433 4.640 -0.000 0.000 0.191 294 D C 1.935 178.372 176.300 0.229 0.000 0.997 294 D CA 1.238 55.327 54.000 0.148 0.000 0.834 294 D CB -0.314 40.571 40.800 0.142 0.000 0.956 294 D HN 0.190 nan 8.370 nan 0.000 0.448 295 N N -0.267 118.601 118.700 0.281 0.000 2.309 295 N HA -0.120 4.619 4.740 -0.000 0.000 0.182 295 N C 1.621 177.452 175.510 0.536 0.000 1.018 295 N CA 0.196 53.497 53.050 0.419 0.000 0.876 295 N CB -0.340 38.393 38.487 0.409 0.000 0.972 295 N HN 0.217 nan 8.380 nan 0.000 0.434 296 F N 1.510 121.627 119.950 0.278 0.000 2.051 296 F HA -0.164 4.363 4.527 -0.000 0.000 0.296 296 F C 2.066 177.999 175.800 0.222 0.000 1.122 296 F CA 1.195 59.331 58.000 0.226 0.000 1.201 296 F CB -0.390 38.548 39.000 -0.103 0.000 0.978 296 F HN -0.210 nan 8.300 nan 0.000 0.472 297 V N -0.001 119.990 119.914 0.128 0.000 2.626 297 V HA -0.253 3.867 4.120 -0.000 0.000 0.252 297 V C 2.205 178.320 176.094 0.034 0.000 1.067 297 V CA 2.081 64.342 62.300 -0.064 0.000 1.081 297 V CB -1.202 30.521 31.823 -0.166 0.000 0.686 297 V HN 0.470 nan 8.190 nan 0.000 0.468 298 T N 0.327 115.014 114.554 0.221 0.000 2.614 298 T HA -0.141 4.209 4.350 -0.000 0.000 0.263 298 T C 1.653 176.496 174.700 0.238 0.000 1.055 298 T CA 1.845 64.172 62.100 0.379 0.000 1.162 298 T CB -0.402 68.629 68.868 0.272 0.000 0.863 298 T HN 0.390 nan 8.240 nan 0.000 0.414 299 F N 0.197 120.309 119.950 0.271 0.000 2.293 299 F HA 0.119 4.645 4.527 -0.000 0.000 0.300 299 F C 1.943 177.908 175.800 0.274 0.000 1.086 299 F CA 0.363 58.501 58.000 0.231 0.000 1.375 299 F CB -0.536 38.586 39.000 0.203 0.000 1.045 299 F HN 0.070 nan 8.300 nan 0.000 0.516 300 F N 0.642 120.756 119.950 0.273 0.000 2.069 300 F HA -0.272 4.255 4.527 -0.000 0.000 0.298 300 F C 2.184 178.165 175.800 0.302 0.000 1.113 300 F CA 1.583 59.665 58.000 0.136 0.000 1.214 300 F CB -0.293 38.454 39.000 -0.421 0.000 0.978 300 F HN -0.191 nan 8.300 nan 0.000 0.474 301 I N 0.032 120.835 120.570 0.390 0.000 2.235 301 I HA -0.118 4.051 4.170 -0.000 0.000 0.241 301 I C 2.717 178.902 176.117 0.114 0.000 1.085 301 I CA 1.359 62.847 61.300 0.313 0.000 1.378 301 I CB -2.087 36.130 38.000 0.362 0.000 1.076 301 I HN 0.184 nan 8.210 nan 0.000 0.415 302 A N 1.117 124.018 122.820 0.135 0.000 1.908 302 A HA -0.117 4.203 4.320 -0.000 0.000 0.218 302 A C 2.352 179.935 177.584 -0.002 0.000 1.181 302 A CA 1.851 53.889 52.037 0.001 0.000 0.627 302 A CB -1.377 17.570 19.000 -0.089 0.000 0.818 302 A HN 0.450 nan 8.150 nan 0.000 0.445 303 G N -1.459 107.389 108.800 0.080 0.000 2.708 303 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.210 303 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.210 303 G C 1.145 176.125 174.900 0.134 0.000 1.141 303 G CA 1.389 46.522 45.100 0.055 0.000 0.788 303 G HN 0.908 nan 8.290 nan 0.000 0.531 304 H N -1.787 117.290 119.070 0.011 0.000 2.998 304 H HA 0.135 4.691 4.556 -0.000 0.000 0.223 304 H C 1.822 177.166 175.328 0.026 0.000 0.906 304 H CA 0.755 56.819 56.048 0.027 0.000 1.014 304 H CB -0.063 29.691 29.762 -0.013 0.000 1.389 304 H HN 0.251 nan 8.280 nan 0.000 0.467 305 E N 2.495 122.283 120.200 -0.687 0.000 2.051 305 E HA -0.125 4.225 4.350 -0.000 0.000 0.192 305 E C 2.203 178.704 176.600 -0.164 0.000 0.991 305 E CA 3.122 59.243 56.400 -0.465 0.000 0.799 305 E CB -0.403 29.039 29.700 -0.430 0.000 0.748 305 E HN 0.572 nan 8.360 nan 0.000 0.449 306 T N -2.078 112.412 114.554 -0.105 0.000 2.867 306 T HA -0.064 4.286 4.350 -0.000 0.000 0.268 306 T C 2.173 176.900 174.700 0.045 0.000 1.057 306 T CA 1.302 63.384 62.100 -0.030 0.000 1.136 306 T CB -0.514 68.323 68.868 -0.052 0.000 0.874 306 T HN 0.017 nan 8.240 nan 0.000 0.466 307 S N 1.934 117.672 115.700 0.064 0.000 2.368 307 S HA 0.067 4.537 4.470 -0.000 0.000 0.225 307 S C 2.641 177.294 174.600 0.088 0.000 1.030 307 S CA 1.043 59.322 58.200 0.133 0.000 0.999 307 S CB -0.838 62.448 63.200 0.143 0.000 0.844 307 S HN 0.769 nan 8.310 nan 0.000 0.459 308 A N 2.160 124.997 122.820 0.028 0.000 1.902 308 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 308 A C 1.839 179.385 177.584 -0.063 0.000 1.181 308 A CA 1.677 53.701 52.037 -0.022 0.000 0.623 308 A CB -0.891 18.090 19.000 -0.033 0.000 0.818 308 A HN 0.646 nan 8.150 nan 0.000 0.443 309 N N -1.306 117.367 118.700 -0.046 0.000 2.043 309 N HA -0.251 4.489 4.740 -0.000 0.000 0.193 309 N C 1.914 177.466 175.510 0.071 0.000 1.037 309 N CA 1.503 54.506 53.050 -0.079 0.000 0.851 309 N CB -0.386 38.118 38.487 0.027 0.000 1.027 309 N HN 0.671 nan 8.380 nan 0.000 0.422 310 H N 1.296 120.417 119.070 0.086 0.000 2.319 310 H HA -0.015 4.541 4.556 -0.000 0.000 0.299 310 H C 1.980 177.365 175.328 0.095 0.000 1.092 310 H CA 1.388 57.527 56.048 0.152 0.000 1.302 310 H CB -0.485 29.325 29.762 0.080 0.000 1.373 310 H HN 0.146 nan 8.280 nan 0.000 0.497 311 L N -0.465 120.710 121.223 -0.081 0.000 2.046 311 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 311 L C 2.866 179.634 176.870 -0.170 0.000 1.077 311 L CA 1.190 55.924 54.840 -0.176 0.000 0.747 311 L CB -0.691 41.294 42.059 -0.124 0.000 0.896 311 L HN 0.419 nan 8.230 nan 0.000 0.432 312 A N -0.276 122.436 122.820 -0.180 0.000 1.877 312 A HA -0.215 4.105 4.320 -0.000 0.000 0.216 312 A C 2.032 179.466 177.584 -0.250 0.000 1.186 312 A CA 1.476 53.354 52.037 -0.265 0.000 0.620 312 A CB -0.833 17.951 19.000 -0.359 0.000 0.822 312 A HN 0.276 nan 8.150 nan 0.000 0.443 313 F N 1.052 120.906 119.950 -0.159 0.000 2.126 313 F HA -0.165 4.361 4.527 -0.000 0.000 0.299 313 F C 2.786 178.481 175.800 -0.174 0.000 1.096 313 F CA 1.839 59.709 58.000 -0.217 0.000 1.255 313 F CB -1.155 37.791 39.000 -0.091 0.000 0.997 313 F HN 0.179 nan 8.300 nan 0.000 0.479 314 T N -0.600 113.992 114.554 0.063 0.000 2.737 314 T HA -0.124 4.226 4.350 -0.000 0.000 0.265 314 T C 2.286 176.919 174.700 -0.112 0.000 1.038 314 T CA 1.469 63.556 62.100 -0.021 0.000 1.144 314 T CB -0.682 68.116 68.868 -0.115 0.000 0.866 314 T HN 0.047 nan 8.240 nan 0.000 0.434 315 V N 1.796 121.600 119.914 -0.183 0.000 2.358 315 V HA -0.145 3.975 4.120 -0.000 0.000 0.246 315 V C 2.464 178.437 176.094 -0.202 0.000 1.047 315 V CA 1.603 63.738 62.300 -0.275 0.000 1.035 315 V CB -0.655 30.898 31.823 -0.451 0.000 0.658 315 V HN 0.472 nan 8.190 nan 0.000 0.452 316 M N 0.181 119.683 119.600 -0.164 0.000 2.080 316 M HA -0.249 4.231 4.480 -0.000 0.000 0.260 316 M C 2.247 178.576 176.300 0.048 0.000 1.068 316 M CA 2.543 57.784 55.300 -0.098 0.000 1.109 316 M CB -0.163 32.354 32.600 -0.138 0.000 1.342 316 M HN 0.390 nan 8.290 nan 0.000 0.405 317 E N 0.516 120.690 120.200 -0.044 0.000 2.072 317 E HA -0.137 4.213 4.350 -0.000 0.000 0.191 317 E C 1.841 178.324 176.600 -0.196 0.000 0.985 317 E CA 1.452 57.765 56.400 -0.145 0.000 0.801 317 E CB -0.547 28.918 29.700 -0.391 0.000 0.750 317 E HN 0.651 nan 8.360 nan 0.000 0.452 318 L N 0.709 121.832 121.223 -0.166 0.000 2.131 318 L HA -0.165 4.175 4.340 -0.000 0.000 0.210 318 L C 2.510 179.383 176.870 0.004 0.000 1.092 318 L CA 1.280 56.069 54.840 -0.084 0.000 0.759 318 L CB -0.656 41.377 42.059 -0.043 0.000 0.903 318 L HN 0.248 nan 8.230 nan 0.000 0.435 319 S N 1.018 116.743 115.700 0.043 0.000 2.402 319 S HA -0.255 4.215 4.470 -0.000 0.000 0.233 319 S C 1.844 176.515 174.600 0.118 0.000 1.030 319 S CA 1.393 59.658 58.200 0.107 0.000 1.003 319 S CB -0.478 62.799 63.200 0.128 0.000 0.813 319 S HN 0.653 nan 8.310 nan 0.000 0.477 320 R N 0.124 120.678 120.500 0.089 0.000 2.393 320 R HA 0.282 4.622 4.340 -0.000 0.000 0.244 320 R C 0.141 176.425 176.300 -0.027 0.000 0.920 320 R CA -0.200 55.904 56.100 0.007 0.000 1.076 320 R CB 0.041 30.239 30.300 -0.171 0.000 1.119 320 R HN 0.296 nan 8.270 nan 0.000 0.524 321 Q N 1.482 121.280 119.800 -0.004 0.000 2.851 321 Q HA 0.205 4.545 4.340 -0.000 0.000 0.331 321 Q C -2.065 173.976 176.000 0.067 0.000 0.979 321 Q CA -1.750 54.070 55.803 0.029 0.000 0.955 321 Q CB 1.825 30.578 28.738 0.025 0.000 1.298 321 Q HN 0.187 nan 8.270 nan 0.000 0.432 322 P HA -0.136 nan 4.420 nan 0.000 0.220 322 P C 0.571 177.914 177.300 0.072 0.000 1.148 322 P CA 1.104 64.243 63.100 0.066 0.000 0.803 322 P CB 0.635 32.366 31.700 0.052 0.000 0.782 323 E N -0.130 120.113 120.200 0.073 0.000 2.107 323 E HA -0.061 4.289 4.350 -0.000 0.000 0.191 323 E C 2.147 178.809 176.600 0.103 0.000 0.982 323 E CA 0.843 57.285 56.400 0.071 0.000 0.809 323 E CB -0.805 28.932 29.700 0.063 0.000 0.756 323 E HN 0.278 nan 8.360 nan 0.000 0.459 324 I N -0.154 120.512 120.570 0.161 0.000 2.353 324 I HA -0.204 3.966 4.170 -0.000 0.000 0.248 324 I C 1.997 178.260 176.117 0.244 0.000 1.119 324 I CA 0.460 61.922 61.300 0.269 0.000 1.417 324 I CB -0.094 38.107 38.000 0.336 0.000 1.078 324 I HN -0.006 nan 8.210 nan 0.000 0.421 325 V N 1.232 121.245 119.914 0.165 0.000 2.287 325 V HA -0.349 3.771 4.120 -0.000 0.000 0.248 325 V C 2.757 178.920 176.094 0.114 0.000 1.053 325 V CA 2.171 64.553 62.300 0.137 0.000 1.027 325 V CB -1.027 30.862 31.823 0.110 0.000 0.646 325 V HN 0.512 nan 8.190 nan 0.000 0.447 326 A N -0.590 122.281 122.820 0.084 0.000 1.902 326 A HA -0.233 4.086 4.320 -0.000 0.000 0.217 326 A C 2.412 180.013 177.584 0.028 0.000 1.181 326 A CA 1.813 53.879 52.037 0.049 0.000 0.623 326 A CB -0.518 18.501 19.000 0.031 0.000 0.818 326 A HN 0.456 nan 8.150 nan 0.000 0.443 327 R N -0.883 119.623 120.500 0.011 0.000 2.092 327 R HA 0.014 4.354 4.340 -0.000 0.000 0.231 327 R C 2.086 178.382 176.300 -0.006 0.000 1.119 327 R CA 1.158 57.197 56.100 -0.102 0.000 0.970 327 R CB -0.437 29.645 30.300 -0.364 0.000 0.864 327 R HN 0.545 nan 8.270 nan 0.000 0.440 328 L N 0.558 121.888 121.223 0.179 0.000 2.046 328 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 328 L C 2.545 179.490 176.870 0.125 0.000 1.077 328 L CA 1.491 56.471 54.840 0.234 0.000 0.747 328 L CB -0.333 41.870 42.059 0.240 0.000 0.896 328 L HN 0.237 nan 8.230 nan 0.000 0.432 329 Q N -0.548 119.308 119.800 0.093 0.000 2.084 329 Q HA -0.199 4.141 4.340 -0.000 0.000 0.202 329 Q C 2.409 178.434 176.000 0.042 0.000 0.978 329 Q CA 1.584 57.426 55.803 0.065 0.000 0.844 329 Q CB -0.264 28.509 28.738 0.057 0.000 0.898 329 Q HN 0.565 nan 8.270 nan 0.000 0.426 330 A N 1.154 123.989 122.820 0.025 0.000 1.933 330 A HA -0.261 4.059 4.320 -0.000 0.000 0.218 330 A C 1.913 179.500 177.584 0.005 0.000 1.175 330 A CA 1.687 53.725 52.037 0.003 0.000 0.628 330 A CB -0.483 18.503 19.000 -0.025 0.000 0.814 330 A HN 0.472 nan 8.150 nan 0.000 0.444 331 E N -0.219 119.992 120.200 0.017 0.000 2.046 331 E HA -0.111 4.238 4.350 -0.000 0.000 0.190 331 E C 1.822 178.446 176.600 0.039 0.000 0.982 331 E CA 1.307 57.727 56.400 0.032 0.000 0.800 331 E CB -0.150 29.595 29.700 0.076 0.000 0.756 331 E HN 0.263 nan 8.360 nan 0.000 0.449 332 V N 2.125 122.068 119.914 0.049 0.000 2.332 332 V HA -0.257 3.863 4.120 -0.000 0.000 0.248 332 V C 1.566 177.678 176.094 0.031 0.000 1.055 332 V CA 2.222 64.546 62.300 0.041 0.000 1.038 332 V CB -0.556 31.296 31.823 0.048 0.000 0.651 332 V HN 0.312 nan 8.190 nan 0.000 0.450 333 D N -0.660 119.756 120.400 0.027 0.000 2.351 333 D HA -0.104 4.536 4.640 -0.000 0.000 0.216 333 D C 2.060 178.370 176.300 0.017 0.000 0.968 333 D CA 0.779 54.791 54.000 0.021 0.000 0.899 333 D CB 0.053 40.864 40.800 0.017 0.000 0.907 333 D HN 0.614 nan 8.370 nan 0.000 0.514 334 E N -0.283 119.927 120.200 0.017 0.000 2.057 334 E HA -0.022 4.328 4.350 -0.000 0.000 0.191 334 E C 2.065 178.674 176.600 0.016 0.000 0.959 334 E CA 0.168 56.576 56.400 0.014 0.000 0.828 334 E CB 0.008 29.714 29.700 0.010 0.000 0.800 334 E HN 0.050 nan 8.360 nan 0.000 0.460 335 V N 1.942 121.866 119.914 0.017 0.000 2.379 335 V HA -0.143 3.977 4.120 -0.000 0.000 0.245 335 V C 1.867 177.971 176.094 0.017 0.000 1.044 335 V CA 1.722 64.031 62.300 0.015 0.000 1.036 335 V CB -0.257 31.573 31.823 0.011 0.000 0.664 335 V HN 0.331 nan 8.190 nan 0.000 0.453 336 I N -2.103 118.478 120.570 0.019 0.000 3.194 336 I HA 0.623 4.793 4.170 -0.000 0.000 0.271 336 I C 1.832 177.965 176.117 0.027 0.000 1.150 336 I CA 0.656 61.971 61.300 0.024 0.000 1.440 336 I CB -0.714 37.298 38.000 0.020 0.000 1.276 336 I HN 0.429 nan 8.210 nan 0.000 0.457 337 G N 2.637 111.452 108.800 0.025 0.000 2.543 337 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.286 337 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.286 337 G C 0.734 175.651 174.900 0.027 0.000 1.153 337 G CA 0.824 45.938 45.100 0.024 0.000 0.968 337 G HN 0.771 nan 8.290 nan 0.000 0.544 338 S N 0.353 116.069 115.700 0.027 0.000 2.614 338 S HA 0.436 4.906 4.470 -0.000 0.000 0.230 338 S C 0.592 175.214 174.600 0.037 0.000 0.952 338 S CA 1.031 59.248 58.200 0.029 0.000 0.949 338 S CB 0.395 63.610 63.200 0.024 0.000 0.786 338 S HN 0.745 nan 8.310 nan 0.000 0.478 339 K N 1.221 121.646 120.400 0.042 0.000 2.412 339 K HA 0.230 4.550 4.320 -0.000 0.000 0.281 339 K C 1.086 177.727 176.600 0.068 0.000 1.027 339 K CA -0.384 55.938 56.287 0.057 0.000 0.989 339 K CB 0.501 33.038 32.500 0.061 0.000 0.935 339 K HN 0.076 nan 8.250 nan 0.000 0.475 340 R N 2.402 122.956 120.500 0.091 0.000 2.161 340 R HA 0.035 4.375 4.340 -0.000 0.000 0.213 340 R C -0.487 175.908 176.300 0.160 0.000 1.055 340 R CA 0.993 57.157 56.100 0.106 0.000 0.996 340 R CB 0.045 30.404 30.300 0.100 0.000 0.901 340 R HN 0.616 nan 8.270 nan 0.000 0.456 341 Y N -0.825 119.493 120.300 0.030 0.000 2.524 341 Y HA 0.508 5.058 4.550 -0.000 0.000 0.344 341 Y C -1.397 174.526 175.900 0.039 0.000 1.012 341 Y CA -1.365 56.756 58.100 0.035 0.000 1.068 341 Y CB 1.226 39.704 38.460 0.029 0.000 1.249 341 Y HN -0.195 nan 8.280 nan 0.000 0.468 342 L N 5.022 125.941 121.223 -0.507 0.000 2.322 342 L HA 0.368 4.708 4.340 -0.000 0.000 0.281 342 L C -0.319 176.403 176.870 -0.246 0.000 1.014 342 L CA -0.467 54.211 54.840 -0.269 0.000 0.815 342 L CB 1.399 43.336 42.059 -0.204 0.000 1.247 342 L HN 0.658 nan 8.230 nan 0.000 0.421 343 D N 1.034 121.438 120.400 0.007 0.000 2.411 343 D HA 0.035 4.675 4.640 -0.000 0.000 0.251 343 D C 0.786 177.143 176.300 0.095 0.000 1.201 343 D CA -0.127 53.938 54.000 0.107 0.000 0.996 343 D CB 1.122 41.999 40.800 0.129 0.000 1.101 343 D HN 0.441 nan 8.370 nan 0.000 0.504 344 F N 0.961 120.922 119.950 0.019 0.000 2.146 344 F HA -0.158 4.369 4.527 -0.000 0.000 0.298 344 F C 2.356 178.167 175.800 0.018 0.000 1.096 344 F CA 1.486 59.495 58.000 0.016 0.000 1.275 344 F CB 0.161 39.172 39.000 0.019 0.000 1.008 344 F HN 0.439 nan 8.300 nan 0.000 0.480 345 E N -0.839 119.367 120.200 0.010 0.000 2.347 345 E HA -0.183 4.167 4.350 -0.000 0.000 0.196 345 E C 1.365 177.906 176.600 -0.097 0.000 1.008 345 E CA 1.178 57.531 56.400 -0.078 0.000 0.852 345 E CB -0.495 29.230 29.700 0.042 0.000 0.783 345 E HN 0.382 nan 8.360 nan 0.000 0.505 346 D N 1.313 121.672 120.400 -0.068 0.000 2.144 346 D HA -0.087 4.553 4.640 -0.000 0.000 0.200 346 D C 2.074 178.315 176.300 -0.098 0.000 0.978 346 D CA 0.878 54.844 54.000 -0.057 0.000 0.833 346 D CB -0.009 40.773 40.800 -0.030 0.000 0.961 346 D HN 0.297 nan 8.370 nan 0.000 0.470 347 L N 0.440 121.563 121.223 -0.167 0.000 2.093 347 L HA -0.038 4.302 4.340 -0.000 0.000 0.208 347 L C 2.575 179.328 176.870 -0.195 0.000 1.085 347 L CA 1.167 55.897 54.840 -0.182 0.000 0.755 347 L CB -0.660 41.260 42.059 -0.231 0.000 0.904 347 L HN 0.055 nan 8.230 nan 0.000 0.435 348 G N 0.120 108.758 108.800 -0.269 0.000 2.432 348 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.219 348 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.219 348 G C 1.716 176.559 174.900 -0.095 0.000 1.135 348 G CA 0.345 45.328 45.100 -0.197 0.000 0.767 348 G HN 0.343 nan 8.290 nan 0.000 0.550 349 R N -0.410 120.046 120.500 -0.074 0.000 2.297 349 R HA 0.244 4.584 4.340 -0.000 0.000 0.197 349 R C 0.617 176.911 176.300 -0.009 0.000 0.943 349 R CA -0.204 55.879 56.100 -0.030 0.000 1.038 349 R CB -0.007 30.281 30.300 -0.020 0.000 0.957 349 R HN 0.275 nan 8.270 nan 0.000 0.484 350 L N 2.507 123.718 121.223 -0.020 0.000 2.511 350 L HA 0.041 4.380 4.340 -0.000 0.000 0.239 350 L C 1.960 178.844 176.870 0.023 0.000 1.400 350 L CA 0.008 54.853 54.840 0.008 0.000 1.226 350 L CB -0.206 41.848 42.059 -0.007 0.000 1.475 350 L HN 0.244 nan 8.230 nan 0.000 0.428 351 Q N 0.897 120.724 119.800 0.046 0.000 2.050 351 Q HA -0.262 4.078 4.340 -0.000 0.000 0.202 351 Q C 1.915 177.970 176.000 0.092 0.000 0.980 351 Q CA 1.877 57.714 55.803 0.057 0.000 0.840 351 Q CB -0.129 28.648 28.738 0.065 0.000 0.898 351 Q HN 0.696 nan 8.270 nan 0.000 0.424 352 Y N 0.408 120.714 120.300 0.009 0.000 2.314 352 Y HA -0.190 4.360 4.550 -0.000 0.000 0.293 352 Y C 2.001 177.914 175.900 0.022 0.000 1.129 352 Y CA 0.967 59.078 58.100 0.019 0.000 1.201 352 Y CB 0.051 38.524 38.460 0.023 0.000 0.999 352 Y HN 0.286 nan 8.280 nan 0.000 0.541 353 L N -0.496 120.734 121.223 0.012 0.000 2.141 353 L HA -0.156 4.184 4.340 -0.000 0.000 0.209 353 L C 2.324 179.139 176.870 -0.092 0.000 1.094 353 L CA 1.836 56.645 54.840 -0.053 0.000 0.763 353 L CB -0.992 41.076 42.059 0.014 0.000 0.908 353 L HN 0.123 nan 8.230 nan 0.000 0.437 354 S N -0.685 114.973 115.700 -0.070 0.000 2.356 354 S HA -0.231 4.239 4.470 -0.000 0.000 0.223 354 S C 1.829 176.336 174.600 -0.156 0.000 1.032 354 S CA 1.548 59.701 58.200 -0.078 0.000 1.005 354 S CB -0.190 62.981 63.200 -0.048 0.000 0.867 354 S HN 0.603 nan 8.310 nan 0.000 0.449 355 Q N 0.239 119.929 119.800 -0.183 0.000 2.096 355 Q HA -0.090 4.250 4.340 -0.000 0.000 0.204 355 Q C 2.265 178.081 176.000 -0.306 0.000 0.982 355 Q CA 1.469 57.137 55.803 -0.225 0.000 0.850 355 Q CB -0.362 28.275 28.738 -0.167 0.000 0.901 355 Q HN 0.349 nan 8.270 nan 0.000 0.422 356 V N 0.995 120.707 119.914 -0.336 0.000 2.343 356 V HA -0.257 3.862 4.120 -0.000 0.000 0.247 356 V C 2.132 178.212 176.094 -0.025 0.000 1.051 356 V CA 1.600 63.785 62.300 -0.191 0.000 1.036 356 V CB -0.445 31.293 31.823 -0.141 0.000 0.654 356 V HN 0.340 nan 8.190 nan 0.000 0.451 357 L N -0.759 120.444 121.223 -0.034 0.000 2.109 357 L HA -0.142 4.198 4.340 -0.000 0.000 0.207 357 L C 2.509 179.424 176.870 0.076 0.000 1.086 357 L CA 1.489 56.391 54.840 0.103 0.000 0.760 357 L CB -0.492 41.642 42.059 0.126 0.000 0.910 357 L HN 0.253 nan 8.230 nan 0.000 0.437 358 K N -0.305 119.969 120.400 -0.211 0.000 2.148 358 K HA -0.202 4.118 4.320 -0.000 0.000 0.204 358 K C 1.992 178.253 176.600 -0.565 0.000 1.050 358 K CA 1.074 57.048 56.287 -0.521 0.000 0.942 358 K CB 0.051 31.819 32.500 -1.221 0.000 0.724 358 K HN 0.080 nan 8.250 nan 0.000 0.446 359 E N 0.514 120.479 120.200 -0.392 0.000 2.216 359 E HA -0.080 4.270 4.350 -0.000 0.000 0.192 359 E C 1.873 178.436 176.600 -0.061 0.000 0.988 359 E CA 0.908 57.160 56.400 -0.247 0.000 0.834 359 E CB -0.021 29.353 29.700 -0.543 0.000 0.772 359 E HN 0.066 nan 8.360 nan 0.000 0.479 360 S N -0.657 115.160 115.700 0.195 0.000 2.383 360 S HA -0.024 4.446 4.470 -0.000 0.000 0.227 360 S C 1.780 176.507 174.600 0.211 0.000 1.026 360 S CA 0.826 59.277 58.200 0.418 0.000 0.981 360 S CB -0.200 63.286 63.200 0.476 0.000 0.818 360 S HN 0.376 nan 8.310 nan 0.000 0.472 361 L N 0.861 122.146 121.223 0.104 0.000 2.217 361 L HA 0.080 4.420 4.340 -0.000 0.000 0.211 361 L C 2.797 179.633 176.870 -0.056 0.000 1.107 361 L CA 0.839 55.637 54.840 -0.069 0.000 0.783 361 L CB -0.369 41.555 42.059 -0.225 0.000 0.919 361 L HN 0.326 nan 8.230 nan 0.000 0.442 362 R N 0.610 121.131 120.500 0.035 0.000 2.062 362 R HA -0.137 4.203 4.340 -0.000 0.000 0.231 362 R C 2.268 178.382 176.300 -0.310 0.000 1.136 362 R CA 1.419 57.488 56.100 -0.051 0.000 0.948 362 R CB -0.142 30.053 30.300 -0.174 0.000 0.845 362 R HN 0.281 nan 8.270 nan 0.000 0.430 363 L N -0.547 120.419 121.223 -0.429 0.000 2.131 363 L HA -0.065 4.275 4.340 -0.000 0.000 0.206 363 L C 0.400 176.779 176.870 -0.818 0.000 1.087 363 L CA 0.888 55.278 54.840 -0.750 0.000 0.767 363 L CB 0.186 41.625 42.059 -1.033 0.000 0.917 363 L HN 0.248 nan 8.230 nan 0.000 0.441 364 Y N -0.451 119.670 120.300 -0.298 0.000 2.562 364 Y HA 0.301 4.851 4.550 -0.000 0.000 0.363 364 Y C -2.292 173.370 175.900 -0.396 0.000 0.991 364 Y CA -2.650 55.083 58.100 -0.612 0.000 1.121 364 Y CB 0.095 37.702 38.460 -1.422 0.000 1.159 364 Y HN -0.044 nan 8.280 nan 0.000 0.651 365 P HA 0.171 nan 4.420 nan 0.000 0.282 365 P C -2.388 174.929 177.300 0.028 0.000 1.274 365 P CA -1.714 61.334 63.100 -0.087 0.000 0.770 365 P CB 2.039 33.672 31.700 -0.113 0.000 0.867 366 P HA -0.126 nan 4.420 nan 0.000 0.215 366 P C 0.413 177.728 177.300 0.024 0.000 1.157 366 P CA 1.681 64.848 63.100 0.111 0.000 0.868 366 P CB -0.017 31.715 31.700 0.053 0.000 0.788 367 A N 0.353 123.116 122.820 -0.095 0.000 2.253 367 A HA 0.218 4.538 4.320 -0.000 0.000 0.316 367 A C 0.985 178.479 177.584 -0.149 0.000 1.327 367 A CA -0.861 51.070 52.037 -0.178 0.000 0.917 367 A CB -0.378 18.483 19.000 -0.231 0.000 1.162 367 A HN 0.327 nan 8.150 nan 0.000 0.535 368 W N 2.921 124.192 121.300 -0.049 0.000 2.465 368 W HA 0.337 4.997 4.660 -0.000 0.000 0.268 368 W C 0.224 176.716 176.519 -0.045 0.000 1.242 368 W CA 0.642 57.958 57.345 -0.050 0.000 1.248 368 W CB -0.388 29.039 29.460 -0.056 0.000 1.118 368 W HN 0.887 nan 8.180 nan 0.000 0.587 369 G N -0.320 108.288 108.800 -0.320 0.000 2.367 369 G HA2 0.311 4.271 3.960 -0.000 0.000 0.272 369 G HA3 0.311 4.271 3.960 -0.000 0.000 0.272 369 G C -1.329 173.280 174.900 -0.485 0.000 1.271 369 G CA -0.010 45.007 45.100 -0.138 0.000 0.893 369 G HN 0.190 nan 8.290 nan 0.000 0.485 370 T N -1.507 112.893 114.554 -0.256 0.000 2.681 370 T HA 0.760 5.110 4.350 -0.000 0.000 0.296 370 T C -1.882 172.676 174.700 -0.237 0.000 1.157 370 T CA -0.507 61.459 62.100 -0.223 0.000 1.025 370 T CB 1.293 70.141 68.868 -0.034 0.000 1.441 370 T HN 0.669 nan 8.240 nan 0.000 0.504 371 F N 1.052 121.156 119.950 0.257 0.000 2.577 371 F HA 0.794 5.321 4.527 -0.000 0.000 0.318 371 F C 0.390 176.352 175.800 0.271 0.000 1.065 371 F CA -1.061 57.116 58.000 0.295 0.000 0.929 371 F CB 1.835 40.943 39.000 0.179 0.000 1.237 371 F HN 0.157 nan 8.300 nan 0.000 0.468 372 R N 2.267 123.055 120.500 0.480 0.000 2.514 372 R HA 0.373 4.713 4.340 -0.000 0.000 0.296 372 R C -1.516 174.923 176.300 0.231 0.000 1.012 372 R CA -1.040 55.247 56.100 0.311 0.000 0.897 372 R CB 2.186 32.639 30.300 0.256 0.000 1.184 372 R HN 0.657 nan 8.270 nan 0.000 0.440 373 L N 4.015 125.363 121.223 0.208 0.000 2.433 373 L HA 0.158 4.498 4.340 -0.000 0.000 0.275 373 L C -0.416 176.563 176.870 0.180 0.000 1.128 373 L CA -0.210 54.722 54.840 0.153 0.000 0.875 373 L CB 0.216 42.352 42.059 0.129 0.000 1.171 373 L HN 0.487 nan 8.230 nan 0.000 0.463 374 L N 5.473 126.763 121.223 0.113 0.000 2.433 374 L HA 0.186 4.526 4.340 -0.000 0.000 0.284 374 L C 1.173 178.133 176.870 0.149 0.000 1.120 374 L CA 0.709 55.646 54.840 0.161 0.000 0.879 374 L CB 0.089 42.169 42.059 0.036 0.000 1.232 374 L HN 0.808 nan 8.230 nan 0.000 0.454 375 E N 2.684 122.988 120.200 0.172 0.000 2.051 375 E HA -0.091 4.259 4.350 -0.000 0.000 0.192 375 E C -0.170 176.477 176.600 0.079 0.000 0.991 375 E CA 1.242 57.698 56.400 0.093 0.000 0.799 375 E CB 0.245 29.972 29.700 0.046 0.000 0.748 375 E HN 0.695 nan 8.360 nan 0.000 0.449 376 E N 0.715 120.977 120.200 0.103 0.000 2.244 376 E HA 0.175 4.525 4.350 -0.000 0.000 0.266 376 E C -0.798 175.862 176.600 0.100 0.000 0.914 376 E CA -0.496 55.953 56.400 0.081 0.000 0.794 376 E CB 1.744 31.481 29.700 0.062 0.000 1.210 376 E HN 0.034 nan 8.360 nan 0.000 0.414 377 E N 1.701 121.943 120.200 0.070 0.000 2.558 377 E HA -0.002 4.348 4.350 -0.000 0.000 0.255 377 E C -0.995 175.656 176.600 0.085 0.000 0.968 377 E CA 0.668 57.108 56.400 0.066 0.000 0.939 377 E CB 0.455 30.180 29.700 0.042 0.000 0.921 377 E HN 0.334 nan 8.360 nan 0.000 0.477 378 T N 4.499 119.114 114.554 0.102 0.000 2.909 378 T HA 0.273 4.623 4.350 -0.000 0.000 0.299 378 T C -0.590 174.168 174.700 0.096 0.000 1.073 378 T CA -0.768 61.406 62.100 0.124 0.000 0.999 378 T CB 1.141 70.142 68.868 0.222 0.000 1.098 378 T HN 0.431 nan 8.240 nan 0.000 0.477 379 L N 3.314 124.583 121.223 0.077 0.000 2.325 379 L HA 0.490 4.830 4.340 -0.000 0.000 0.284 379 L C -0.974 175.942 176.870 0.076 0.000 1.089 379 L CA 0.040 54.914 54.840 0.058 0.000 0.836 379 L CB -0.306 41.775 42.059 0.038 0.000 1.184 379 L HN 0.558 nan 8.230 nan 0.000 0.444 380 I N 5.132 125.749 120.570 0.078 0.000 2.354 380 I HA 0.264 4.434 4.170 -0.000 0.000 0.286 380 I C -0.095 176.058 176.117 0.060 0.000 1.007 380 I CA -0.595 60.765 61.300 0.099 0.000 1.167 380 I CB 0.970 39.043 38.000 0.122 0.000 1.320 380 I HN 0.586 nan 8.210 nan 0.000 0.458 381 D N 5.219 125.651 120.400 0.054 0.000 2.837 381 D HA -0.200 4.440 4.640 -0.000 0.000 0.230 381 D C 1.132 177.451 176.300 0.032 0.000 1.152 381 D CA 1.590 55.616 54.000 0.042 0.000 0.736 381 D CB -0.870 39.960 40.800 0.051 0.000 1.084 381 D HN 1.157 nan 8.370 nan 0.000 0.429 382 G N -2.025 106.792 108.800 0.027 0.000 2.157 382 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.248 382 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.248 382 G C 0.224 175.134 174.900 0.017 0.000 0.979 382 G CA 0.248 45.360 45.100 0.020 0.000 0.650 382 G HN 0.593 nan 8.290 nan 0.000 0.529 383 V N 1.143 121.068 119.914 0.019 0.000 2.448 383 V HA 0.510 4.630 4.120 -0.000 0.000 0.295 383 V C 0.753 176.854 176.094 0.012 0.000 1.025 383 V CA -1.036 61.270 62.300 0.010 0.000 0.859 383 V CB 1.690 33.515 31.823 0.003 0.000 0.988 383 V HN 0.320 nan 8.190 nan 0.000 0.431 384 R N 2.893 123.397 120.500 0.007 0.000 2.316 384 R HA 0.490 4.830 4.340 -0.000 0.000 0.314 384 R C -1.049 175.253 176.300 0.003 0.000 1.069 384 R CA -0.171 55.935 56.100 0.011 0.000 0.959 384 R CB 1.163 31.467 30.300 0.008 0.000 0.987 384 R HN 0.527 nan 8.270 nan 0.000 0.446 385 V N 6.707 126.628 119.914 0.011 0.000 2.409 385 V HA 0.295 4.415 4.120 -0.000 0.000 0.291 385 V C -1.828 174.273 176.094 0.012 0.000 1.020 385 V CA -2.054 60.245 62.300 -0.002 0.000 0.848 385 V CB 1.706 33.517 31.823 -0.020 0.000 0.990 385 V HN 0.705 nan 8.190 nan 0.000 0.430 386 P HA 0.197 nan 4.420 nan 0.000 0.273 386 P C 0.302 177.615 177.300 0.023 0.000 1.250 386 P CA 0.080 63.188 63.100 0.013 0.000 0.793 386 P CB 0.801 32.504 31.700 0.004 0.000 1.011 387 G N 0.281 109.100 108.800 0.031 0.000 2.606 387 G HA2 0.080 4.040 3.960 -0.000 0.000 0.252 387 G HA3 0.080 4.040 3.960 -0.000 0.000 0.252 387 G C 0.265 175.183 174.900 0.030 0.000 1.206 387 G CA -0.276 44.848 45.100 0.040 0.000 0.861 387 G HN 0.674 nan 8.290 nan 0.000 0.561 388 N N -1.283 117.439 118.700 0.037 0.000 2.754 388 N HA -0.150 4.589 4.740 -0.000 0.000 0.248 388 N C -0.193 175.329 175.510 0.020 0.000 1.093 388 N CA 1.335 54.404 53.050 0.030 0.000 0.699 388 N CB -1.188 37.313 38.487 0.023 0.000 1.016 388 N HN 0.590 nan 8.380 nan 0.000 0.552 389 T N 0.899 115.464 114.554 0.019 0.000 2.786 389 T HA 0.442 4.792 4.350 -0.000 0.000 0.283 389 T C -2.624 172.079 174.700 0.005 0.000 0.992 389 T CA -1.244 60.855 62.100 -0.001 0.000 0.954 389 T CB 2.326 71.180 68.868 -0.024 0.000 0.934 389 T HN -0.107 nan 8.240 nan 0.000 0.440 390 P HA 0.243 nan 4.420 nan 0.000 0.275 390 P C -0.590 176.757 177.300 0.078 0.000 1.276 390 P CA -0.335 62.808 63.100 0.071 0.000 0.782 390 P CB 0.139 31.854 31.700 0.024 0.000 0.851 391 L N 4.376 125.619 121.223 0.034 0.000 2.281 391 L HA 0.329 4.669 4.340 -0.000 0.000 0.285 391 L C 0.696 177.492 176.870 -0.124 0.000 1.074 391 L CA -0.585 54.141 54.840 -0.190 0.000 0.817 391 L CB 0.493 42.269 42.059 -0.472 0.000 1.168 391 L HN 0.276 nan 8.230 nan 0.000 0.434 392 L N 3.902 124.982 121.223 -0.238 0.000 2.312 392 L HA 0.499 4.839 4.340 -0.000 0.000 0.281 392 L C -1.115 175.491 176.870 -0.440 0.000 1.070 392 L CA -0.069 54.639 54.840 -0.221 0.000 0.805 392 L CB 0.775 42.758 42.059 -0.126 0.000 1.174 392 L HN 0.348 nan 8.230 nan 0.000 0.434 393 F N 3.150 123.099 119.950 -0.003 0.000 2.518 393 F HA 0.426 4.953 4.527 -0.000 0.000 0.323 393 F C 0.067 176.100 175.800 0.389 0.000 1.129 393 F CA -0.516 57.586 58.000 0.169 0.000 0.920 393 F CB 2.160 41.204 39.000 0.073 0.000 1.160 393 F HN 0.312 nan 8.300 nan 0.000 0.440 394 S N 1.456 117.497 115.700 0.568 0.000 2.647 394 S HA 0.263 4.732 4.470 -0.000 0.000 0.300 394 S C 0.395 175.055 174.600 0.100 0.000 1.129 394 S CA -0.340 58.115 58.200 0.425 0.000 1.029 394 S CB 1.630 65.003 63.200 0.288 0.000 1.007 394 S HN 0.778 nan 8.310 nan 0.000 0.484 395 T N 3.425 117.782 114.554 -0.328 0.000 3.054 395 T HA 0.003 4.353 4.350 -0.000 0.000 0.259 395 T C 1.321 175.899 174.700 -0.203 0.000 1.092 395 T CA 0.960 62.639 62.100 -0.702 0.000 1.121 395 T CB -0.388 67.791 68.868 -1.149 0.000 0.912 395 T HN 0.734 nan 8.240 nan 0.000 0.489 396 Y N 1.118 121.342 120.300 -0.126 0.000 2.200 396 Y HA -0.027 4.523 4.550 -0.000 0.000 0.290 396 Y C 2.076 177.945 175.900 -0.052 0.000 1.137 396 Y CA 1.218 59.269 58.100 -0.083 0.000 1.163 396 Y CB -0.359 38.085 38.460 -0.026 0.000 0.988 396 Y HN 0.043 nan 8.280 nan 0.000 0.518 397 V N 0.473 120.492 119.914 0.175 0.000 2.255 397 V HA -0.348 3.772 4.120 -0.000 0.000 0.243 397 V C 2.348 178.506 176.094 0.108 0.000 1.038 397 V CA 2.401 64.785 62.300 0.140 0.000 1.008 397 V CB -0.645 31.289 31.823 0.184 0.000 0.645 397 V HN 0.435 nan 8.190 nan 0.000 0.449 398 M N 0.410 120.120 119.600 0.184 0.000 2.202 398 M HA -0.103 4.377 4.480 -0.000 0.000 0.262 398 M C 2.140 178.674 176.300 0.390 0.000 1.063 398 M CA 1.918 57.429 55.300 0.351 0.000 1.097 398 M CB -0.790 32.014 32.600 0.341 0.000 1.382 398 M HN 0.503 nan 8.290 nan 0.000 0.413 399 G N 0.013 108.894 108.800 0.136 0.000 2.443 399 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.219 399 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.219 399 G C 1.498 176.309 174.900 -0.148 0.000 1.131 399 G CA 0.370 45.413 45.100 -0.095 0.000 0.775 399 G HN 0.404 nan 8.290 nan 0.000 0.547 400 R N -0.650 119.770 120.500 -0.132 0.000 2.466 400 R HA 0.373 4.713 4.340 -0.000 0.000 0.279 400 R C 0.151 176.438 176.300 -0.021 0.000 0.976 400 R CA -0.233 55.779 56.100 -0.147 0.000 1.081 400 R CB 0.299 30.428 30.300 -0.286 0.000 1.215 400 R HN 0.264 nan 8.270 nan 0.000 0.546 401 M N 1.921 121.575 119.600 0.091 0.000 2.063 401 M HA 0.049 4.529 4.480 -0.000 0.000 0.348 401 M C 0.288 176.595 176.300 0.011 0.000 1.180 401 M CA -0.420 54.901 55.300 0.034 0.000 1.059 401 M CB 1.470 34.087 32.600 0.028 0.000 1.544 401 M HN 0.079 nan 8.290 nan 0.000 0.447 402 D N 0.391 120.766 120.400 -0.042 0.000 2.384 402 D HA -0.157 4.483 4.640 -0.000 0.000 0.222 402 D C 1.546 177.777 176.300 -0.114 0.000 0.976 402 D CA 1.174 55.148 54.000 -0.043 0.000 0.915 402 D CB -0.415 40.357 40.800 -0.046 0.000 0.896 402 D HN 0.565 nan 8.370 nan 0.000 0.523 403 T N -1.789 112.613 114.554 -0.252 0.000 3.055 403 T HA -0.098 4.252 4.350 -0.000 0.000 0.265 403 T C 0.783 175.241 174.700 -0.403 0.000 1.111 403 T CA 0.641 62.507 62.100 -0.389 0.000 1.118 403 T CB -0.199 68.322 68.868 -0.579 0.000 0.909 403 T HN 0.149 nan 8.240 nan 0.000 0.501 404 Y N -0.856 119.381 120.300 -0.106 0.000 2.467 404 Y HA 0.498 5.047 4.550 -0.000 0.000 0.259 404 Y C -0.114 175.372 175.900 -0.689 0.000 1.084 404 Y CA -1.393 56.503 58.100 -0.340 0.000 1.275 404 Y CB 0.541 38.828 38.460 -0.287 0.000 1.208 404 Y HN 0.147 nan 8.280 nan 0.000 0.511 405 F N 0.846 120.822 119.950 0.044 0.000 2.612 405 F HA 0.292 4.819 4.527 -0.000 0.000 0.332 405 F C 0.022 175.783 175.800 -0.066 0.000 1.167 405 F CA -1.554 56.425 58.000 -0.036 0.000 0.970 405 F CB 1.319 40.284 39.000 -0.058 0.000 1.234 405 F HN -0.233 nan 8.300 nan 0.000 0.453 406 E N 2.586 122.825 120.200 0.065 0.000 2.415 406 E HA -0.010 4.340 4.350 -0.000 0.000 0.263 406 E C -0.361 176.249 176.600 0.016 0.000 0.995 406 E CA 0.123 56.532 56.400 0.014 0.000 0.915 406 E CB 0.413 30.104 29.700 -0.015 0.000 0.951 406 E HN 0.637 nan 8.360 nan 0.000 0.449 407 D N 4.116 124.514 120.400 -0.003 0.000 2.904 407 D HA -0.126 4.514 4.640 -0.000 0.000 0.231 407 D C -1.980 174.308 176.300 -0.021 0.000 1.185 407 D CA 0.359 54.350 54.000 -0.015 0.000 0.783 407 D CB 0.023 40.812 40.800 -0.019 0.000 0.961 407 D HN 0.380 nan 8.370 nan 0.000 0.409 408 P HA -0.027 nan 4.420 nan 0.000 0.222 408 P C 1.862 179.094 177.300 -0.113 0.000 1.153 408 P CA 0.464 63.534 63.100 -0.050 0.000 0.798 408 P CB 0.186 31.872 31.700 -0.024 0.000 0.796 409 L N -1.415 119.758 121.223 -0.084 0.000 2.492 409 L HA 0.066 4.406 4.340 -0.000 0.000 0.223 409 L C 0.640 177.480 176.870 -0.051 0.000 1.132 409 L CA 0.501 55.290 54.840 -0.086 0.000 0.850 409 L CB -0.870 41.153 42.059 -0.060 0.000 0.966 409 L HN -0.141 nan 8.230 nan 0.000 0.454 410 T N 0.777 115.309 114.554 -0.038 0.000 2.799 410 T HA 0.025 4.375 4.350 -0.000 0.000 0.296 410 T C -0.328 174.379 174.700 0.011 0.000 0.947 410 T CA -0.127 61.972 62.100 -0.002 0.000 1.141 410 T CB 0.041 68.903 68.868 -0.011 0.000 0.891 410 T HN -0.036 nan 8.240 nan 0.000 0.533 411 F N 5.401 125.304 119.950 -0.078 0.000 2.462 411 F HA 0.333 4.860 4.527 -0.000 0.000 0.360 411 F C 0.396 176.178 175.800 -0.030 0.000 1.134 411 F CA -0.654 57.306 58.000 -0.067 0.000 1.148 411 F CB 0.040 39.022 39.000 -0.030 0.000 1.147 411 F HN 0.412 nan 8.300 nan 0.000 0.550 412 N N 7.938 126.406 118.700 -0.387 0.000 2.577 412 N HA 0.396 5.136 4.740 -0.000 0.000 0.275 412 N C -2.513 172.806 175.510 -0.319 0.000 1.091 412 N CA -2.321 50.578 53.050 -0.251 0.000 0.843 412 N CB 1.844 40.262 38.487 -0.115 0.000 1.295 412 N HN 0.132 nan 8.380 nan 0.000 0.530 413 P HA 0.055 nan 4.420 nan 0.000 0.230 413 P C 0.135 177.416 177.300 -0.032 0.000 1.158 413 P CA 0.616 63.582 63.100 -0.223 0.000 0.769 413 P CB 0.399 31.887 31.700 -0.353 0.000 0.807 414 D N -0.723 119.677 120.400 0.000 0.000 2.371 414 D HA -0.020 4.620 4.640 -0.000 0.000 0.221 414 D C 1.769 178.039 176.300 -0.051 0.000 0.986 414 D CA 0.447 54.464 54.000 0.029 0.000 0.899 414 D CB -0.125 40.699 40.800 0.039 0.000 0.902 414 D HN 0.220 nan 8.370 nan 0.000 0.530 415 R N -0.506 119.912 120.500 -0.138 0.000 2.115 415 R HA -0.031 4.309 4.340 -0.000 0.000 0.230 415 R C 1.070 177.100 176.300 -0.450 0.000 1.111 415 R CA 0.736 56.644 56.100 -0.320 0.000 0.976 415 R CB -0.068 29.935 30.300 -0.495 0.000 0.870 415 R HN 0.160 nan 8.270 nan 0.000 0.445 416 F N 0.111 119.988 119.950 -0.121 0.000 2.641 416 F HA 0.280 4.807 4.527 -0.000 0.000 0.302 416 F C 1.329 177.093 175.800 -0.060 0.000 1.098 416 F CA -0.570 57.362 58.000 -0.112 0.000 1.318 416 F CB 0.326 39.230 39.000 -0.161 0.000 1.035 416 F HN -0.067 nan 8.300 nan 0.000 0.551 417 G N 2.250 111.097 108.800 0.078 0.000 2.432 417 G HA2 0.229 4.189 3.960 -0.000 0.000 0.239 417 G HA3 0.229 4.189 3.960 -0.000 0.000 0.239 417 G C -2.302 172.630 174.900 0.053 0.000 1.291 417 G CA -0.954 44.194 45.100 0.079 0.000 0.863 417 G HN -0.089 nan 8.290 nan 0.000 0.560 418 P HA 0.137 nan 4.420 nan 0.000 0.262 418 P C 0.913 178.226 177.300 0.022 0.000 1.199 418 P CA 1.159 64.282 63.100 0.040 0.000 0.763 418 P CB 0.943 32.667 31.700 0.040 0.000 0.790 419 G N 1.973 110.781 108.800 0.012 0.000 2.284 419 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.201 419 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.201 419 G C 0.234 175.127 174.900 -0.013 0.000 0.998 419 G CA -0.003 45.097 45.100 0.001 0.000 0.651 419 G HN 0.855 nan 8.290 nan 0.000 0.489 420 A N 1.078 123.886 122.820 -0.021 0.000 2.327 420 A HA 0.741 5.061 4.320 -0.000 0.000 0.283 420 A C -1.798 175.756 177.584 -0.051 0.000 1.127 420 A CA -0.881 51.126 52.037 -0.050 0.000 0.810 420 A CB 0.102 19.050 19.000 -0.086 0.000 1.066 420 A HN 0.172 nan 8.150 nan 0.000 0.492 421 P HA 0.184 nan 4.420 nan 0.000 0.271 421 P C -0.492 176.763 177.300 -0.076 0.000 1.220 421 P CA -0.095 62.970 63.100 -0.058 0.000 0.768 421 P CB 0.459 32.122 31.700 -0.061 0.000 0.848 422 K N 4.413 124.785 120.400 -0.047 0.000 2.448 422 K HA 0.127 4.447 4.320 -0.000 0.000 0.278 422 K C -1.774 174.789 176.600 -0.062 0.000 1.009 422 K CA -1.118 55.149 56.287 -0.032 0.000 0.995 422 K CB -0.278 32.222 32.500 -0.001 0.000 0.917 422 K HN 0.447 nan 8.250 nan 0.000 0.481 423 P HA -0.048 nan 4.420 nan 0.000 0.262 423 P C -0.747 176.511 177.300 -0.070 0.000 1.182 423 P CA 0.289 63.367 63.100 -0.036 0.000 0.761 423 P CB 0.436 32.221 31.700 0.140 0.000 0.795 424 R N 3.416 123.854 120.500 -0.105 0.000 2.755 424 R HA 0.262 4.602 4.340 -0.000 0.000 0.268 424 R C -0.168 176.133 176.300 0.002 0.000 1.295 424 R CA -0.476 55.537 56.100 -0.145 0.000 1.379 424 R CB -1.129 29.161 30.300 -0.017 0.000 1.170 424 R HN 0.387 nan 8.270 nan 0.000 0.584 425 F N 0.062 120.055 119.950 0.072 0.000 2.988 425 F HA -0.322 4.205 4.527 -0.000 0.000 0.287 425 F C 1.282 177.167 175.800 0.141 0.000 0.781 425 F CA 1.225 59.273 58.000 0.081 0.000 1.221 425 F CB -1.872 37.122 39.000 -0.010 0.000 1.392 425 F HN 0.522 nan 8.300 nan 0.000 0.425 426 T N -4.105 110.601 114.554 0.253 0.000 3.023 426 T HA 0.226 4.576 4.350 -0.000 0.000 0.253 426 T C -0.201 174.782 174.700 0.472 0.000 1.038 426 T CA 0.294 62.529 62.100 0.225 0.000 0.962 426 T CB 0.313 69.134 68.868 -0.078 0.000 1.018 426 T HN 0.372 nan 8.240 nan 0.000 0.521 427 Y N 1.995 122.509 120.300 0.357 0.000 2.322 427 Y HA 0.517 5.067 4.550 -0.000 0.000 0.324 427 Y C -1.954 174.116 175.900 0.284 0.000 1.027 427 Y CA -2.554 55.678 58.100 0.220 0.000 1.179 427 Y CB 1.122 39.767 38.460 0.308 0.000 1.136 427 Y HN 0.227 nan 8.280 nan 0.000 0.449 428 F N 6.550 126.313 119.950 -0.310 0.000 2.766 428 F HA 0.487 5.014 4.527 -0.000 0.000 0.355 428 F C -2.709 172.877 175.800 -0.357 0.000 1.434 428 F CA -2.216 55.611 58.000 -0.288 0.000 1.139 428 F CB 0.591 39.545 39.000 -0.076 0.000 1.816 428 F HN 0.145 nan 8.300 nan 0.000 0.600 429 P HA 0.004 nan 4.420 nan 0.000 0.237 429 P C 0.277 177.170 177.300 -0.678 0.000 1.178 429 P CA 0.962 63.675 63.100 -0.644 0.000 0.766 429 P CB -0.031 31.183 31.700 -0.809 0.000 0.876 430 F N -0.967 118.886 119.950 -0.162 0.000 2.735 430 F HA 0.329 4.856 4.527 -0.000 0.000 0.308 430 F C 1.116 176.883 175.800 -0.055 0.000 1.112 430 F CA -0.216 57.722 58.000 -0.103 0.000 1.235 430 F CB -0.048 38.897 39.000 -0.091 0.000 1.027 430 F HN -0.186 nan 8.300 nan 0.000 0.528 431 S N 0.340 116.122 115.700 0.137 0.000 3.769 431 S HA -0.154 4.316 4.470 -0.000 0.000 0.656 431 S C -0.685 173.945 174.600 0.049 0.000 1.960 431 S CA 0.104 58.372 58.200 0.114 0.000 2.104 431 S CB -0.558 62.634 63.200 -0.014 0.000 0.328 431 S HN 0.267 nan 8.310 nan 0.000 1.640 432 L N 0.923 122.090 121.223 -0.093 0.000 2.322 432 L HA 0.737 5.076 4.340 -0.000 0.000 0.252 432 L C 1.037 177.841 176.870 -0.110 0.000 1.055 432 L CA -0.110 54.686 54.840 -0.074 0.000 0.849 432 L CB 1.460 43.468 42.059 -0.084 0.000 1.446 432 L HN 1.564 nan 8.230 nan 0.000 0.416 433 G N 0.097 108.882 108.800 -0.025 0.000 2.598 433 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.244 433 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.244 433 G C 0.613 175.527 174.900 0.024 0.000 1.302 433 G CA 0.491 45.599 45.100 0.012 0.000 0.903 433 G HN 1.056 nan 8.290 nan 0.000 0.575 434 H N 0.644 119.717 119.070 0.004 0.000 2.457 434 H HA 0.078 4.634 4.556 -0.000 0.000 0.294 434 H C 1.950 177.242 175.328 -0.059 0.000 1.064 434 H CA 1.439 57.525 56.048 0.064 0.000 1.330 434 H CB -0.064 29.787 29.762 0.148 0.000 1.395 434 H HN 0.362 nan 8.280 nan 0.000 0.541 435 R N 2.327 122.382 120.500 -0.742 0.000 2.449 435 R HA 0.107 4.447 4.340 -0.000 0.000 0.262 435 R C 0.583 176.724 176.300 -0.264 0.000 1.006 435 R CA 0.280 56.014 56.100 -0.611 0.000 1.104 435 R CB -0.389 29.426 30.300 -0.809 0.000 1.206 435 R HN 0.482 nan 8.270 nan 0.000 0.538 436 S N -0.766 114.855 115.700 -0.132 0.000 2.600 436 S HA 0.037 4.507 4.470 -0.000 0.000 0.265 436 S C 0.677 175.264 174.600 -0.021 0.000 1.325 436 S CA -0.778 57.392 58.200 -0.051 0.000 1.002 436 S CB 1.269 64.465 63.200 -0.007 0.000 0.921 436 S HN 0.326 nan 8.310 nan 0.000 0.554 437 C N 2.954 122.262 119.300 0.012 0.000 2.592 437 C HA 0.114 4.574 4.460 -0.000 0.000 0.408 437 C C 1.780 176.703 174.990 -0.112 0.000 1.436 437 C CA -0.332 58.681 59.018 -0.009 0.000 1.595 437 C CB -2.129 25.710 27.740 0.164 0.000 2.487 437 C HN 0.942 nan 8.230 nan 0.000 0.610 438 I N 4.442 124.893 120.570 -0.197 0.000 2.761 438 I HA 0.087 4.257 4.170 -0.000 0.000 0.261 438 I C 1.968 177.613 176.117 -0.788 0.000 1.198 438 I CA 1.530 62.581 61.300 -0.415 0.000 1.482 438 I CB -0.024 37.742 38.000 -0.390 0.000 1.100 438 I HN 0.897 nan 8.210 nan 0.000 0.445 439 G N -0.157 108.350 108.800 -0.490 0.000 3.284 439 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.236 439 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.236 439 G C 1.139 176.034 174.900 -0.008 0.000 1.158 439 G CA -0.102 44.844 45.100 -0.255 0.000 0.774 439 G HN 0.407 nan 8.290 nan 0.000 0.545 440 Q N 0.167 119.865 119.800 -0.170 0.000 1.998 440 Q HA -0.277 4.063 4.340 -0.000 0.000 0.209 440 Q C 2.398 178.216 176.000 -0.304 0.000 1.002 440 Q CA 2.237 57.743 55.803 -0.494 0.000 0.858 440 Q CB -0.084 28.223 28.738 -0.717 0.000 0.932 440 Q HN 0.460 nan 8.270 nan 0.000 0.416 441 Q N -0.408 119.330 119.800 -0.103 0.000 2.124 441 Q HA -0.131 4.209 4.340 -0.000 0.000 0.202 441 Q C 1.730 177.860 176.000 0.217 0.000 0.977 441 Q CA 1.717 57.548 55.803 0.047 0.000 0.850 441 Q CB -0.303 28.500 28.738 0.108 0.000 0.901 441 Q HN 0.496 nan 8.270 nan 0.000 0.429 442 F N 0.482 120.545 119.950 0.189 0.000 2.063 442 F HA -0.356 4.171 4.527 -0.000 0.000 0.298 442 F C 2.026 177.916 175.800 0.151 0.000 1.109 442 F CA 1.502 59.682 58.000 0.300 0.000 1.212 442 F CB -0.234 39.041 39.000 0.459 0.000 0.973 442 F HN 0.124 nan 8.300 nan 0.000 0.480 443 A N -0.222 122.902 122.820 0.507 0.000 1.877 443 A HA -0.243 4.077 4.320 -0.000 0.000 0.216 443 A C 2.063 179.757 177.584 0.184 0.000 1.186 443 A CA 1.813 54.060 52.037 0.349 0.000 0.620 443 A CB -0.954 18.273 19.000 0.377 0.000 0.822 443 A HN 0.624 nan 8.150 nan 0.000 0.443 444 Q N -1.120 118.763 119.800 0.138 0.000 2.124 444 Q HA -0.148 4.192 4.340 -0.000 0.000 0.202 444 Q C 2.176 178.189 176.000 0.021 0.000 0.977 444 Q CA 1.744 57.606 55.803 0.099 0.000 0.850 444 Q CB -0.265 28.490 28.738 0.028 0.000 0.901 444 Q HN 0.732 nan 8.270 nan 0.000 0.429 445 M N 0.335 119.933 119.600 -0.004 0.000 2.099 445 M HA -0.190 4.290 4.480 -0.000 0.000 0.262 445 M C 2.193 178.302 176.300 -0.318 0.000 1.067 445 M CA 1.697 56.967 55.300 -0.050 0.000 1.124 445 M CB -0.233 32.459 32.600 0.154 0.000 1.353 445 M HN 0.225 nan 8.290 nan 0.000 0.410 446 E N 0.636 120.418 120.200 -0.697 0.000 2.110 446 E HA -0.165 4.185 4.350 -0.000 0.000 0.193 446 E C 1.771 178.150 176.600 -0.368 0.000 0.988 446 E CA 1.897 57.705 56.400 -0.987 0.000 0.804 446 E CB -0.635 28.422 29.700 -1.072 0.000 0.745 446 E HN 0.485 nan 8.360 nan 0.000 0.458 447 V N -0.546 119.264 119.914 -0.174 0.000 2.453 447 V HA -0.115 4.005 4.120 -0.000 0.000 0.247 447 V C 2.333 178.375 176.094 -0.087 0.000 1.048 447 V CA 1.695 63.941 62.300 -0.089 0.000 1.049 447 V CB -0.619 31.196 31.823 -0.014 0.000 0.672 447 V HN 0.076 nan 8.190 nan 0.000 0.457 448 K N 0.194 120.549 120.400 -0.074 0.000 2.057 448 K HA -0.073 4.247 4.320 -0.000 0.000 0.207 448 K C 2.193 178.757 176.600 -0.059 0.000 1.049 448 K CA 1.775 58.028 56.287 -0.056 0.000 0.931 448 K CB -0.378 32.093 32.500 -0.049 0.000 0.714 448 K HN 0.476 nan 8.250 nan 0.000 0.440 449 V N 0.821 120.687 119.914 -0.079 0.000 2.255 449 V HA -0.260 3.860 4.120 -0.000 0.000 0.247 449 V C 2.300 178.371 176.094 -0.038 0.000 1.051 449 V CA 1.662 63.929 62.300 -0.056 0.000 1.018 449 V CB -0.364 31.437 31.823 -0.035 0.000 0.641 449 V HN 0.100 nan 8.190 nan 0.000 0.445 450 V N -0.577 119.307 119.914 -0.051 0.000 2.255 450 V HA -0.325 3.795 4.120 -0.000 0.000 0.247 450 V C 2.524 178.611 176.094 -0.012 0.000 1.051 450 V CA 2.140 64.426 62.300 -0.023 0.000 1.018 450 V CB -0.653 31.148 31.823 -0.036 0.000 0.641 450 V HN 0.412 nan 8.190 nan 0.000 0.445 451 M N -0.263 119.316 119.600 -0.035 0.000 2.159 451 M HA -0.114 4.366 4.480 -0.000 0.000 0.263 451 M C 2.384 178.691 176.300 0.012 0.000 1.063 451 M CA 2.098 57.384 55.300 -0.024 0.000 1.110 451 M CB -1.626 30.946 32.600 -0.048 0.000 1.374 451 M HN 0.420 nan 8.290 nan 0.000 0.411 452 A N 0.644 123.466 122.820 0.004 0.000 1.877 452 A HA -0.193 4.127 4.320 -0.000 0.000 0.216 452 A C 2.273 179.876 177.584 0.032 0.000 1.186 452 A CA 1.761 53.808 52.037 0.016 0.000 0.620 452 A CB -0.529 18.469 19.000 -0.003 0.000 0.822 452 A HN 0.513 nan 8.150 nan 0.000 0.443 453 K N -0.383 120.035 120.400 0.030 0.000 2.148 453 K HA 0.048 4.368 4.320 -0.000 0.000 0.204 453 K C 1.848 178.492 176.600 0.072 0.000 1.050 453 K CA 1.080 57.394 56.287 0.044 0.000 0.942 453 K CB -0.348 32.176 32.500 0.040 0.000 0.724 453 K HN 0.451 nan 8.250 nan 0.000 0.446 454 L N 0.848 122.129 121.223 0.097 0.000 2.093 454 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 454 L C 2.219 179.200 176.870 0.185 0.000 1.085 454 L CA 0.982 55.931 54.840 0.181 0.000 0.755 454 L CB -0.311 41.874 42.059 0.212 0.000 0.904 454 L HN 0.145 nan 8.230 nan 0.000 0.435 455 L N -0.972 120.328 121.223 0.127 0.000 2.395 455 L HA -0.135 4.205 4.340 -0.000 0.000 0.218 455 L C 2.475 179.393 176.870 0.081 0.000 1.130 455 L CA 0.654 55.562 54.840 0.114 0.000 0.826 455 L CB -0.214 41.901 42.059 0.093 0.000 0.941 455 L HN 0.322 nan 8.230 nan 0.000 0.451 456 Q N -0.622 119.217 119.800 0.065 0.000 2.137 456 Q HA -0.037 4.303 4.340 -0.000 0.000 0.198 456 Q C 1.857 177.877 176.000 0.034 0.000 0.960 456 Q CA 0.926 56.757 55.803 0.046 0.000 0.847 456 Q CB 0.321 29.083 28.738 0.040 0.000 0.915 456 Q HN 0.396 nan 8.270 nan 0.000 0.448 457 R N -1.130 119.388 120.500 0.031 0.000 2.342 457 R HA 0.294 4.634 4.340 -0.000 0.000 0.204 457 R C 0.168 176.445 176.300 -0.038 0.000 0.882 457 R CA 0.244 56.346 56.100 0.004 0.000 1.041 457 R CB 0.823 31.129 30.300 0.010 0.000 1.188 457 R HN 0.101 nan 8.270 nan 0.000 0.598 458 L N 1.529 122.720 121.223 -0.053 0.000 2.362 458 L HA 0.434 4.774 4.340 -0.000 0.000 0.271 458 L C -0.435 176.289 176.870 -0.244 0.000 1.002 458 L CA -0.629 54.077 54.840 -0.222 0.000 0.818 458 L CB 2.648 44.470 42.059 -0.395 0.000 1.298 458 L HN -0.156 nan 8.230 nan 0.000 0.420 459 E N 2.029 122.039 120.200 -0.317 0.000 2.183 459 E HA 0.523 4.873 4.350 -0.000 0.000 0.271 459 E C -1.565 174.828 176.600 -0.345 0.000 0.919 459 E CA -0.580 55.712 56.400 -0.180 0.000 0.781 459 E CB 2.163 31.822 29.700 -0.068 0.000 1.140 459 E HN 0.229 nan 8.360 nan 0.000 0.402 460 F N 1.469 121.424 119.950 0.008 0.000 2.469 460 F HA 0.475 5.002 4.527 -0.000 0.000 0.332 460 F C 0.314 176.117 175.800 0.006 0.000 1.103 460 F CA -0.804 57.197 58.000 0.002 0.000 0.979 460 F CB 1.462 40.459 39.000 -0.005 0.000 1.137 460 F HN 0.113 nan 8.300 nan 0.000 0.463 461 R N 2.738 123.333 120.500 0.158 0.000 2.476 461 R HA 0.465 4.805 4.340 -0.000 0.000 0.305 461 R C -1.386 174.962 176.300 0.080 0.000 0.965 461 R CA -1.107 55.053 56.100 0.100 0.000 0.867 461 R CB 2.092 32.424 30.300 0.053 0.000 1.176 461 R HN 0.498 nan 8.270 nan 0.000 0.447 462 L N 3.214 124.472 121.223 0.058 0.000 2.456 462 L HA 0.119 4.459 4.340 -0.000 0.000 0.272 462 L C -0.377 176.484 176.870 -0.016 0.000 1.189 462 L CA 0.201 55.036 54.840 -0.008 0.000 0.846 462 L CB 1.092 43.106 42.059 -0.075 0.000 1.111 462 L HN 0.330 nan 8.230 nan 0.000 0.475 463 V N 7.335 127.227 119.914 -0.037 0.000 2.488 463 V HA 0.226 4.346 4.120 -0.000 0.000 0.277 463 V C -1.817 174.252 176.094 -0.041 0.000 1.046 463 V CA -1.482 60.801 62.300 -0.028 0.000 0.986 463 V CB 0.582 32.389 31.823 -0.026 0.000 0.989 463 V HN 0.768 nan 8.190 nan 0.000 0.475 464 P HA 0.055 nan 4.420 nan 0.000 0.259 464 P C 0.895 178.178 177.300 -0.028 0.000 1.163 464 P CA 1.430 64.521 63.100 -0.016 0.000 0.760 464 P CB 0.270 31.969 31.700 -0.002 0.000 0.762 465 G N 1.468 110.247 108.800 -0.035 0.000 2.184 465 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.206 465 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.206 465 G C -0.075 174.781 174.900 -0.072 0.000 0.995 465 G CA -0.478 44.598 45.100 -0.040 0.000 0.651 465 G HN 0.541 nan 8.290 nan 0.000 0.511 466 Q N 0.744 120.473 119.800 -0.118 0.000 2.278 466 Q HA 0.527 4.867 4.340 -0.000 0.000 0.257 466 Q C 0.595 176.428 176.000 -0.279 0.000 0.928 466 Q CA -0.243 55.443 55.803 -0.196 0.000 0.932 466 Q CB 1.323 29.917 28.738 -0.240 0.000 1.221 466 Q HN 0.539 nan 8.270 nan 0.000 0.434 467 R N 1.063 121.426 120.500 -0.229 0.000 2.528 467 R HA 0.314 4.654 4.340 -0.000 0.000 0.271 467 R C 0.354 176.480 176.300 -0.289 0.000 1.056 467 R CA -0.209 55.788 56.100 -0.171 0.000 1.117 467 R CB 0.604 30.873 30.300 -0.052 0.000 1.085 467 R HN 0.484 nan 8.270 nan 0.000 0.530 468 F N -0.278 119.664 119.950 -0.013 0.000 2.727 468 F HA 0.232 4.759 4.527 -0.000 0.000 0.302 468 F C 1.519 177.327 175.800 0.013 0.000 1.097 468 F CA -0.186 57.803 58.000 -0.017 0.000 1.330 468 F CB 0.378 39.378 39.000 0.000 0.000 1.084 468 F HN 0.651 nan 8.300 nan 0.000 0.578 469 G N 0.239 109.134 108.800 0.158 0.000 2.588 469 G HA2 0.470 4.430 3.960 -0.000 0.000 0.278 469 G HA3 0.470 4.430 3.960 -0.000 0.000 0.278 469 G C -0.728 174.267 174.900 0.159 0.000 1.307 469 G CA -0.220 44.973 45.100 0.155 0.000 1.016 469 G HN -0.039 nan 8.290 nan 0.000 0.503 470 L N -1.309 120.021 121.223 0.178 0.000 2.256 470 L HA 0.599 4.939 4.340 -0.000 0.000 0.261 470 L C 0.069 177.000 176.870 0.101 0.000 1.022 470 L CA -0.760 54.209 54.840 0.216 0.000 0.828 470 L CB 2.181 44.423 42.059 0.305 0.000 1.374 470 L HN 0.792 nan 8.230 nan 0.000 0.436 471 Q N -0.902 118.952 119.800 0.089 0.000 2.416 471 Q HA 0.532 4.872 4.340 -0.000 0.000 0.281 471 Q C -1.336 174.682 176.000 0.030 0.000 1.067 471 Q CA -0.821 54.998 55.803 0.027 0.000 0.809 471 Q CB 2.346 31.089 28.738 0.008 0.000 1.418 471 Q HN 0.507 nan 8.270 nan 0.000 0.411 472 E N 1.687 121.882 120.200 -0.009 0.000 2.014 472 E HA 0.109 4.459 4.350 -0.000 0.000 0.275 472 E C -0.676 175.955 176.600 0.050 0.000 0.997 472 E CA 0.023 56.434 56.400 0.018 0.000 0.804 472 E CB 1.055 30.727 29.700 -0.047 0.000 1.090 472 E HN 0.591 nan 8.360 nan 0.000 0.401 473 Q N 2.899 122.741 119.800 0.070 0.000 3.076 473 Q HA 0.427 4.767 4.340 -0.000 0.000 0.212 473 Q C 1.223 177.279 176.000 0.094 0.000 1.168 473 Q CA 0.757 56.601 55.803 0.068 0.000 0.333 473 Q CB 0.015 28.779 28.738 0.044 0.000 5.777 473 Q HN 0.534 nan 8.270 nan 0.000 0.315 474 A N -0.567 122.296 122.820 0.072 0.000 2.014 474 A HA 0.093 4.413 4.320 -0.000 0.000 0.218 474 A C 0.792 178.408 177.584 0.053 0.000 1.163 474 A CA 1.720 53.793 52.037 0.060 0.000 0.652 474 A CB -0.683 18.349 19.000 0.053 0.000 0.808 474 A HN 0.646 nan 8.150 nan 0.000 0.449 475 T N -4.206 110.385 114.554 0.061 0.000 2.716 475 T HA 0.624 4.974 4.350 -0.000 0.000 0.286 475 T C -0.503 174.272 174.700 0.124 0.000 1.052 475 T CA -0.885 61.259 62.100 0.073 0.000 1.024 475 T CB 0.696 69.580 68.868 0.027 0.000 1.349 475 T HN 0.071 nan 8.240 nan 0.000 0.525 476 L N 2.030 123.357 121.223 0.173 0.000 2.290 476 L HA 0.552 4.891 4.340 -0.000 0.000 0.284 476 L C 0.349 177.425 176.870 0.344 0.000 1.078 476 L CA -0.556 54.429 54.840 0.243 0.000 0.815 476 L CB 0.446 42.653 42.059 0.246 0.000 1.162 476 L HN 0.788 nan 8.230 nan 0.000 0.435 477 K N 2.953 123.492 120.400 0.232 0.000 2.533 477 K HA 0.634 4.954 4.320 -0.000 0.000 0.272 477 K C -3.073 173.383 176.600 -0.241 0.000 0.985 477 K CA -2.235 53.962 56.287 -0.150 0.000 0.876 477 K CB 1.798 34.197 32.500 -0.167 0.000 1.452 477 K HN 0.038 nan 8.250 nan 0.000 0.439 478 P HA -0.062 nan 4.420 nan 0.000 0.264 478 P C 0.570 177.765 177.300 -0.175 0.000 1.193 478 P CA -0.317 62.550 63.100 -0.389 0.000 0.763 478 P CB 0.409 31.799 31.700 -0.516 0.000 0.810 479 L N 3.421 124.602 121.223 -0.072 0.000 2.017 479 L HA -0.050 4.290 4.340 -0.000 0.000 0.208 479 L C 0.475 177.294 176.870 -0.085 0.000 1.073 479 L CA 2.048 56.856 54.840 -0.053 0.000 0.745 479 L CB -0.606 41.443 42.059 -0.016 0.000 0.894 479 L HN 0.256 nan 8.230 nan 0.000 0.432 480 D N -0.869 119.463 120.400 -0.114 0.000 2.253 480 D HA 0.246 4.886 4.640 -0.000 0.000 0.249 480 D C -1.896 174.309 176.300 -0.158 0.000 1.049 480 D CA -1.963 51.961 54.000 -0.128 0.000 0.929 480 D CB 1.060 41.773 40.800 -0.145 0.000 1.176 480 D HN 0.021 nan 8.370 nan 0.000 0.437 481 P HA 0.010 nan 4.420 nan 0.000 0.252 481 P C -0.251 176.954 177.300 -0.157 0.000 1.265 481 P CA 0.126 63.143 63.100 -0.140 0.000 0.775 481 P CB 0.185 31.826 31.700 -0.099 0.000 1.128 482 V N -2.577 117.227 119.914 -0.183 0.000 5.961 482 V HA -0.247 3.873 4.120 -0.000 0.000 0.311 482 V C 0.463 176.479 176.094 -0.129 0.000 0.552 482 V CA 0.272 62.457 62.300 -0.191 0.000 0.641 482 V CB -2.632 29.058 31.823 -0.221 0.000 0.286 482 V HN 0.247 nan 8.190 nan 0.000 0.939 483 L N 0.693 121.851 121.223 -0.108 0.000 2.477 483 L HA 0.260 4.600 4.340 -0.000 0.000 0.272 483 L C 0.421 177.271 176.870 -0.033 0.000 1.157 483 L CA 0.540 55.345 54.840 -0.059 0.000 0.889 483 L CB 0.567 42.593 42.059 -0.054 0.000 1.158 483 L HN 0.587 nan 8.230 nan 0.000 0.473 484 C N 1.406 120.717 119.300 0.018 0.000 2.802 484 C HA 0.630 5.090 4.460 -0.000 0.000 0.307 484 C C 0.432 175.462 174.990 0.066 0.000 1.222 484 C CA -0.777 58.283 59.018 0.071 0.000 1.580 484 C CB 2.061 29.916 27.740 0.191 0.000 2.119 484 C HN 0.813 nan 8.230 nan 0.000 0.479 485 T N 0.561 115.145 114.554 0.050 0.000 2.867 485 T HA 0.808 5.158 4.350 -0.000 0.000 0.282 485 T C -0.860 173.826 174.700 -0.023 0.000 1.000 485 T CA -0.471 61.637 62.100 0.014 0.000 1.042 485 T CB 0.742 69.611 68.868 0.002 0.000 0.973 485 T HN 0.367 nan 8.240 nan 0.000 0.465 486 L N 1.663 122.838 121.223 -0.079 0.000 2.333 486 L HA 0.842 5.182 4.340 -0.000 0.000 0.269 486 L C 0.115 176.886 176.870 -0.165 0.000 1.010 486 L CA -0.835 53.879 54.840 -0.210 0.000 0.818 486 L CB 2.107 44.014 42.059 -0.254 0.000 1.306 486 L HN 0.681 nan 8.230 nan 0.000 0.430 487 R N 1.220 121.594 120.500 -0.210 0.000 2.698 487 R HA 0.606 4.946 4.340 -0.000 0.000 0.275 487 R C -2.755 173.460 176.300 -0.142 0.000 1.001 487 R CA -1.837 54.184 56.100 -0.133 0.000 0.896 487 R CB 2.207 32.452 30.300 -0.091 0.000 1.218 487 R HN 0.216 nan 8.270 nan 0.000 0.462 488 P HA 0.097 nan 4.420 nan 0.000 0.269 488 P C -0.767 176.499 177.300 -0.058 0.000 1.215 488 P CA -0.230 62.827 63.100 -0.072 0.000 0.780 488 P CB 0.608 32.281 31.700 -0.044 0.000 0.898 489 R N 0.000 120.474 120.500 -0.044 0.000 2.786 489 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 489 R CA 0.000 56.086 56.100 -0.024 0.000 0.921 489 R CB 0.000 30.294 30.300 -0.010 0.000 0.687 489 R HN 0.000 nan 8.270 nan 0.000 0.535