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 3nlf_1_B DATA FIRST_RESID 69 DATA SEQUENCE KFPRVKNWEL GSITYDTLCA QSQQDGPCTP RRCLGSLVLP RXXXXXXXXX DATA SEQUENCE XXPAEQLLSQ ARDFINQYYS SIKRSGSQAH EERLQEVEAE VASTGTYHLR DATA SEQUENCE ESELVFGAKQ AWRNAPRCVG RIQWGKLQVF DARDCSSAQE MFTYICNHIK DATA SEQUENCE YATNRGNLRS AITVFPQRAP GRGDFRIWNS QLVRYAGYRQ QDGSVRGDPA DATA SEQUENCE NVEITELCIQ HGWTPGNGRF DVLPLLLQAP DEAPELFVLP PELVLEVPLE DATA SEQUENCE HPTLEWFAAL GLRWYALPAV SNMLLEIGGL EFSAAPFSGW YMSTEIGTRN DATA SEQUENCE LCDPHRYNIL EDVAVCMDLD TRTTSSLWKD KAAVEINLAV LHSFQLAKVT DATA SEQUENCE IVDHHAATVS FMKHLDNEQK ARGGCPADWA WIVPPISGSL TPVFHQEMVN DATA SEQUENCE YILSPAFRYQ PDPW 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 69 K HA 0.000 nan 4.320 nan 0.000 0.191 69 K C 0.000 176.416 176.600 -0.306 0.000 0.988 69 K CA 0.000 56.098 56.287 -0.316 0.000 0.838 69 K CB 0.000 32.167 32.500 -0.554 0.000 1.064 70 F N 5.189 125.146 119.950 0.011 0.000 2.444 70 F HA 0.298 4.826 4.527 0.002 0.000 0.360 70 F C -1.923 173.956 175.800 0.133 0.000 1.106 70 F CA -2.185 55.843 58.000 0.046 0.000 1.170 70 F CB 0.323 39.343 39.000 0.033 0.000 1.113 70 F HN -0.043 nan 8.300 nan 0.000 0.521 71 P HA 0.132 nan 4.420 nan 0.000 0.276 71 P C -0.354 177.080 177.300 0.223 0.000 1.235 71 P CA -0.577 62.650 63.100 0.213 0.000 0.772 71 P CB 0.864 32.647 31.700 0.138 0.000 0.871 72 R N 2.274 122.863 120.500 0.148 0.000 2.489 72 R HA 0.277 4.618 4.340 0.002 0.000 0.287 72 R C -0.802 175.424 176.300 -0.123 0.000 1.053 72 R CA -0.127 55.862 56.100 -0.184 0.000 1.036 72 R CB 0.183 30.423 30.300 -0.100 0.000 0.966 72 R HN 0.275 nan 8.270 nan 0.000 0.432 73 V N 5.545 125.341 119.914 -0.196 0.000 2.376 73 V HA 0.288 4.409 4.120 0.002 0.000 0.287 73 V C -0.296 175.729 176.094 -0.114 0.000 1.015 73 V CA -0.715 61.542 62.300 -0.072 0.000 0.834 73 V CB 1.324 33.142 31.823 -0.010 0.000 1.001 73 V HN 0.714 nan 8.190 nan 0.000 0.428 74 K N 4.032 124.383 120.400 -0.080 0.000 2.164 74 K HA 0.429 4.750 4.320 0.002 0.000 0.258 74 K C -0.376 176.144 176.600 -0.133 0.000 0.951 74 K CA -0.647 55.510 56.287 -0.216 0.000 0.844 74 K CB 1.353 33.585 32.500 -0.447 0.000 1.099 74 K HN 0.692 nan 8.250 nan 0.000 0.435 75 N N 3.964 122.572 118.700 -0.155 0.000 2.422 75 N HA 0.089 4.830 4.740 0.002 0.000 0.266 75 N C -0.340 175.111 175.510 -0.097 0.000 1.007 75 N CA -0.305 52.746 53.050 0.002 0.000 0.941 75 N CB 0.534 39.053 38.487 0.053 0.000 1.115 75 N HN 0.694 nan 8.380 nan 0.000 0.492 76 W N 2.002 123.389 121.300 0.144 0.000 3.003 76 W HA 0.160 4.821 4.660 0.002 0.000 0.257 76 W C 2.068 178.638 176.519 0.085 0.000 1.308 76 W CA -0.160 57.259 57.345 0.124 0.000 1.529 76 W CB 0.294 29.854 29.460 0.167 0.000 1.115 76 W HN 0.674 nan 8.180 nan 0.000 0.659 77 E N 0.388 120.725 120.200 0.227 0.000 2.158 77 E HA -0.111 4.240 4.350 0.002 0.000 0.191 77 E C 1.575 178.196 176.600 0.034 0.000 0.982 77 E CA 1.067 57.499 56.400 0.053 0.000 0.823 77 E CB -0.080 29.609 29.700 -0.020 0.000 0.766 77 E HN 0.282 nan 8.360 nan 0.000 0.468 78 L N -1.501 119.739 121.223 0.027 0.000 2.781 78 L HA 0.363 4.704 4.340 0.002 0.000 0.245 78 L C 1.342 178.186 176.870 -0.044 0.000 1.118 78 L CA 0.316 55.154 54.840 -0.004 0.000 0.918 78 L CB 1.008 43.070 42.059 0.005 0.000 1.246 78 L HN 0.346 nan 8.230 nan 0.000 0.526 79 G N 0.963 109.705 108.800 -0.097 0.000 2.143 79 G HA2 -0.297 3.664 3.960 0.002 0.000 0.249 79 G HA3 -0.297 3.664 3.960 0.002 0.000 0.249 79 G C 0.326 175.120 174.900 -0.178 0.000 0.981 79 G CA 0.438 45.433 45.100 -0.174 0.000 0.665 79 G HN 0.441 nan 8.290 nan 0.000 0.528 80 S N -0.690 114.926 115.700 -0.139 0.000 2.610 80 S HA 0.806 5.277 4.470 0.002 0.000 0.273 80 S C -0.072 174.431 174.600 -0.162 0.000 1.274 80 S CA -0.617 57.512 58.200 -0.119 0.000 1.023 80 S CB 2.410 65.569 63.200 -0.069 0.000 0.962 80 S HN 0.580 nan 8.310 nan 0.000 0.523 81 I N 1.682 122.157 120.570 -0.158 0.000 2.545 81 I HA 0.523 4.694 4.170 0.002 0.000 0.292 81 I C 0.085 176.073 176.117 -0.215 0.000 1.040 81 I CA -0.273 60.892 61.300 -0.224 0.000 1.068 81 I CB 2.671 40.516 38.000 -0.258 0.000 1.251 81 I HN 1.020 nan 8.210 nan 0.000 0.424 82 T N 0.939 115.331 114.554 -0.270 0.000 2.864 82 T HA 0.634 4.985 4.350 0.002 0.000 0.289 82 T C -1.213 173.251 174.700 -0.393 0.000 1.082 82 T CA -0.826 61.147 62.100 -0.213 0.000 1.009 82 T CB 1.500 70.318 68.868 -0.083 0.000 1.234 82 T HN 0.258 nan 8.240 nan 0.000 0.526 83 Y N 0.030 120.321 120.300 -0.014 0.000 2.350 83 Y HA 0.430 4.981 4.550 0.002 0.000 0.338 83 Y C -0.050 175.840 175.900 -0.018 0.000 0.961 83 Y CA -0.971 57.128 58.100 -0.001 0.000 1.100 83 Y CB 1.705 40.153 38.460 -0.021 0.000 1.179 83 Y HN 0.698 nan 8.280 nan 0.000 0.454 84 D N 2.184 122.679 120.400 0.159 0.000 2.336 84 D HA 0.055 4.696 4.640 0.002 0.000 0.249 84 D C 0.769 177.123 176.300 0.090 0.000 1.213 84 D CA 0.270 54.338 54.000 0.114 0.000 0.870 84 D CB 1.280 42.170 40.800 0.150 0.000 1.076 84 D HN 0.808 nan 8.370 nan 0.000 0.483 85 T N 1.096 115.611 114.554 -0.065 0.000 3.014 85 T HA -0.053 4.298 4.350 0.002 0.000 0.250 85 T C 1.876 176.551 174.700 -0.041 0.000 1.060 85 T CA -0.257 61.706 62.100 -0.228 0.000 1.040 85 T CB 0.086 68.618 68.868 -0.561 0.000 0.971 85 T HN 0.251 nan 8.240 nan 0.000 0.497 86 L N 2.633 123.843 121.223 -0.020 0.000 2.083 86 L HA -0.002 4.339 4.340 0.002 0.000 0.209 86 L C 2.720 179.529 176.870 -0.102 0.000 1.083 86 L CA 1.514 56.359 54.840 0.007 0.000 0.752 86 L CB -1.067 41.053 42.059 0.103 0.000 0.899 86 L HN 0.676 nan 8.230 nan 0.000 0.433 87 C N -1.230 117.847 119.300 -0.373 0.000 2.403 87 C HA -0.096 4.365 4.460 0.002 0.000 0.282 87 C C 2.803 177.584 174.990 -0.348 0.000 1.297 87 C CA 0.331 58.803 59.018 -0.910 0.000 1.785 87 C CB -2.264 24.872 27.740 -1.006 0.000 1.963 87 C HN 0.597 nan 8.230 nan 0.000 0.507 88 A N 0.143 122.916 122.820 -0.078 0.000 2.070 88 A HA -0.114 4.207 4.320 0.002 0.000 0.220 88 A C 2.250 179.833 177.584 -0.002 0.000 1.159 88 A CA 1.577 53.617 52.037 0.005 0.000 0.656 88 A CB -0.496 18.599 19.000 0.159 0.000 0.800 88 A HN 0.703 nan 8.150 nan 0.000 0.453 89 Q N 0.317 120.117 119.800 -0.000 0.000 2.436 89 Q HA 0.022 4.363 4.340 0.002 0.000 0.209 89 Q C 0.865 176.891 176.000 0.043 0.000 0.965 89 Q CA 0.428 56.251 55.803 0.032 0.000 0.910 89 Q CB -0.651 28.119 28.738 0.053 0.000 0.980 89 Q HN 0.506 nan 8.270 nan 0.000 0.491 90 S N 1.023 116.737 115.700 0.022 0.000 2.537 90 S HA -0.005 4.466 4.470 0.002 0.000 0.286 90 S C 0.894 175.521 174.600 0.044 0.000 1.299 90 S CA 0.039 58.277 58.200 0.063 0.000 1.067 90 S CB 0.436 63.677 63.200 0.069 0.000 0.864 90 S HN 0.148 nan 8.310 nan 0.000 0.494 91 Q N 2.091 121.924 119.800 0.055 0.000 2.214 91 Q HA 0.262 4.603 4.340 0.002 0.000 0.229 91 Q C -0.235 175.787 176.000 0.038 0.000 0.835 91 Q CA 0.170 55.998 55.803 0.041 0.000 0.953 91 Q CB 0.627 29.392 28.738 0.045 0.000 1.131 91 Q HN 0.607 nan 8.270 nan 0.000 0.501 92 Q N 1.323 121.151 119.800 0.047 0.000 2.330 92 Q HA 0.232 4.573 4.340 0.002 0.000 0.269 92 Q C -1.284 174.745 176.000 0.048 0.000 1.022 92 Q CA -0.317 55.511 55.803 0.041 0.000 0.796 92 Q CB 1.783 30.544 28.738 0.038 0.000 1.271 92 Q HN 0.068 nan 8.270 nan 0.000 0.450 93 D N 1.620 122.043 120.400 0.037 0.000 2.389 93 D HA 0.327 4.968 4.640 0.002 0.000 0.247 93 D C 0.410 176.735 176.300 0.042 0.000 1.128 93 D CA 0.300 54.323 54.000 0.038 0.000 0.884 93 D CB 1.161 41.977 40.800 0.027 0.000 1.194 93 D HN 0.642 nan 8.370 nan 0.000 0.441 94 G N 1.119 109.949 108.800 0.050 0.000 2.531 94 G HA2 0.377 4.338 3.960 0.002 0.000 0.281 94 G HA3 0.377 4.338 3.960 0.002 0.000 0.281 94 G C -1.478 173.445 174.900 0.039 0.000 1.382 94 G CA -0.598 44.530 45.100 0.047 0.000 1.045 94 G HN 0.362 nan 8.290 nan 0.000 0.533 95 P HA 0.202 nan 4.420 nan 0.000 0.245 95 P C 0.228 177.546 177.300 0.031 0.000 1.203 95 P CA -0.102 63.017 63.100 0.033 0.000 0.792 95 P CB 0.154 31.875 31.700 0.035 0.000 0.997 96 C N 0.903 120.224 119.300 0.035 0.000 2.520 96 C HA 0.602 5.063 4.460 0.002 0.000 0.376 96 C C 1.076 176.080 174.990 0.024 0.000 1.268 96 C CA 0.083 59.120 59.018 0.030 0.000 2.414 96 C CB 0.788 28.550 27.740 0.036 0.000 2.521 96 C HN 0.390 nan 8.230 nan 0.000 0.618 97 T N -1.428 113.136 114.554 0.018 0.000 2.865 97 T HA 0.457 4.808 4.350 0.002 0.000 0.294 97 T C -2.357 172.349 174.700 0.010 0.000 1.119 97 T CA -1.138 60.969 62.100 0.012 0.000 1.007 97 T CB 1.226 70.099 68.868 0.009 0.000 1.225 97 T HN 0.285 nan 8.240 nan 0.000 0.515 98 P HA -0.018 nan 4.420 nan 0.000 0.218 98 P C 1.546 178.847 177.300 0.003 0.000 1.148 98 P CA 0.767 63.870 63.100 0.004 0.000 0.822 98 P CB 0.061 31.761 31.700 0.001 0.000 0.784 99 R N 0.077 120.578 120.500 0.003 0.000 2.096 99 R HA -0.092 4.249 4.340 0.002 0.000 0.235 99 R C 0.618 176.919 176.300 0.002 0.000 1.127 99 R CA 1.062 57.163 56.100 0.002 0.000 0.968 99 R CB 0.093 30.394 30.300 0.002 0.000 0.861 99 R HN 0.094 nan 8.270 nan 0.000 0.440 100 R N -0.205 120.298 120.500 0.005 0.000 2.594 100 R HA 0.145 4.486 4.340 0.002 0.000 0.265 100 R C -1.839 174.467 176.300 0.010 0.000 1.070 100 R CA -0.705 55.398 56.100 0.006 0.000 0.909 100 R CB 0.091 30.394 30.300 0.005 0.000 1.243 100 R HN 0.093 nan 8.270 nan 0.000 0.455 101 C N 3.586 122.892 119.300 0.009 0.000 2.435 101 C HA 0.535 4.996 4.460 0.002 0.000 0.375 101 C C 0.356 175.359 174.990 0.022 0.000 1.281 101 C CA -0.468 58.559 59.018 0.016 0.000 1.963 101 C CB -0.462 27.283 27.740 0.008 0.000 2.490 101 C HN 0.668 nan 8.230 nan 0.000 0.557 102 L N 5.976 127.218 121.223 0.032 0.000 3.168 102 L HA 0.343 4.684 4.340 0.002 0.000 0.277 102 L C 1.973 178.877 176.870 0.057 0.000 1.245 102 L CA 0.678 55.541 54.840 0.039 0.000 1.035 102 L CB -0.185 41.894 42.059 0.033 0.000 1.399 102 L HN 1.027 nan 8.230 nan 0.000 0.580 103 G N -0.595 108.243 108.800 0.063 0.000 2.498 103 G HA2 -0.233 3.728 3.960 0.002 0.000 0.219 103 G HA3 -0.233 3.728 3.960 0.002 0.000 0.219 103 G C 1.463 176.442 174.900 0.131 0.000 1.119 103 G CA 1.098 46.251 45.100 0.088 0.000 0.766 103 G HN 0.502 nan 8.290 nan 0.000 0.552 104 S N -0.231 115.541 115.700 0.119 0.000 2.593 104 S HA 0.285 4.756 4.470 0.002 0.000 0.217 104 S C 0.957 175.655 174.600 0.163 0.000 0.966 104 S CA -0.493 57.800 58.200 0.154 0.000 0.914 104 S CB -0.163 63.099 63.200 0.104 0.000 0.776 104 S HN 0.113 nan 8.310 nan 0.000 0.523 105 L N 2.150 123.449 121.223 0.126 0.000 2.416 105 L HA 0.197 4.538 4.340 0.002 0.000 0.272 105 L C 1.505 178.468 176.870 0.156 0.000 1.161 105 L CA -0.298 54.609 54.840 0.111 0.000 0.845 105 L CB 0.996 43.094 42.059 0.066 0.000 1.119 105 L HN 0.090 nan 8.230 nan 0.000 0.464 106 V N 4.261 124.271 119.914 0.161 0.000 2.323 106 V HA -0.087 4.034 4.120 0.002 0.000 0.244 106 V C 0.887 177.006 176.094 0.041 0.000 1.041 106 V CA 1.177 63.604 62.300 0.211 0.000 1.025 106 V CB -0.114 31.834 31.823 0.207 0.000 0.656 106 V HN 0.500 nan 8.190 nan 0.000 0.451 107 L N -0.055 121.153 121.223 -0.025 0.000 2.334 107 L HA 0.479 4.820 4.340 0.002 0.000 0.273 107 L C -2.423 174.445 176.870 -0.004 0.000 1.013 107 L CA -1.888 52.900 54.840 -0.086 0.000 0.816 107 L CB 1.104 43.062 42.059 -0.169 0.000 1.278 107 L HN 0.064 nan 8.230 nan 0.000 0.431 108 P HA 0.128 nan 4.420 nan 0.000 0.265 108 P C -0.543 176.763 177.300 0.010 0.000 1.193 108 P CA -0.326 62.794 63.100 0.033 0.000 0.765 108 P CB 0.575 32.307 31.700 0.054 0.000 0.823 122 A N 0.500 123.329 122.820 0.014 0.000 1.917 122 A HA -0.217 4.104 4.320 0.002 0.000 0.219 122 A C 1.658 179.250 177.584 0.014 0.000 1.182 122 A CA 2.070 54.117 52.037 0.017 0.000 0.633 122 A CB -0.469 18.540 19.000 0.015 0.000 0.819 122 A HN 0.662 nan 8.150 nan 0.000 0.448 123 E N 0.191 120.397 120.200 0.010 0.000 2.085 123 E HA -0.261 4.090 4.350 0.002 0.000 0.194 123 E C 2.121 178.729 176.600 0.012 0.000 0.994 123 E CA 1.798 58.203 56.400 0.008 0.000 0.801 123 E CB -0.578 29.126 29.700 0.006 0.000 0.743 123 E HN 0.870 nan 8.360 nan 0.000 0.453 124 Q N 0.313 120.121 119.800 0.015 0.000 2.049 124 Q HA -0.074 4.267 4.340 0.002 0.000 0.198 124 Q C 2.342 178.359 176.000 0.028 0.000 0.971 124 Q CA 0.870 56.684 55.803 0.019 0.000 0.833 124 Q CB -0.242 28.506 28.738 0.016 0.000 0.896 124 Q HN 0.128 nan 8.270 nan 0.000 0.434 125 L N 0.626 121.868 121.223 0.033 0.000 2.017 125 L HA -0.149 4.192 4.340 0.002 0.000 0.208 125 L C 2.026 178.924 176.870 0.046 0.000 1.073 125 L CA 1.410 56.284 54.840 0.055 0.000 0.745 125 L CB -0.627 41.473 42.059 0.069 0.000 0.894 125 L HN 0.209 nan 8.230 nan 0.000 0.432 126 L N -0.460 120.773 121.223 0.016 0.000 2.042 126 L HA -0.223 4.118 4.340 0.002 0.000 0.210 126 L C 2.842 179.708 176.870 -0.006 0.000 1.076 126 L CA 2.223 57.051 54.840 -0.020 0.000 0.749 126 L CB -0.975 41.073 42.059 -0.018 0.000 0.893 126 L HN 0.665 nan 8.230 nan 0.000 0.432 127 S N -1.887 113.823 115.700 0.016 0.000 2.406 127 S HA -0.196 4.275 4.470 0.002 0.000 0.228 127 S C 1.853 176.487 174.600 0.057 0.000 1.020 127 S CA 0.971 59.189 58.200 0.029 0.000 0.965 127 S CB -0.400 62.816 63.200 0.026 0.000 0.798 127 S HN 0.640 nan 8.310 nan 0.000 0.488 128 Q N 0.850 120.690 119.800 0.068 0.000 2.119 128 Q HA 0.130 4.471 4.340 0.002 0.000 0.201 128 Q C 2.590 178.686 176.000 0.160 0.000 0.972 128 Q CA 1.326 57.192 55.803 0.105 0.000 0.847 128 Q CB -0.472 28.319 28.738 0.088 0.000 0.903 128 Q HN 0.778 nan 8.270 nan 0.000 0.433 129 A N 1.348 124.237 122.820 0.115 0.000 1.873 129 A HA -0.187 4.134 4.320 0.002 0.000 0.215 129 A C 1.998 179.651 177.584 0.113 0.000 1.186 129 A CA 1.211 53.303 52.037 0.092 0.000 0.616 129 A CB -0.349 18.483 19.000 -0.280 0.000 0.823 129 A HN 0.191 nan 8.150 nan 0.000 0.442 130 R N -0.447 120.085 120.500 0.052 0.000 2.080 130 R HA -0.190 4.151 4.340 0.002 0.000 0.236 130 R C 2.093 178.470 176.300 0.129 0.000 1.137 130 R CA 1.779 57.921 56.100 0.070 0.000 0.943 130 R CB -0.620 29.700 30.300 0.033 0.000 0.846 130 R HN 0.697 nan 8.270 nan 0.000 0.431 131 D N 0.082 120.564 120.400 0.136 0.000 2.133 131 D HA -0.231 4.410 4.640 0.002 0.000 0.195 131 D C 1.649 178.071 176.300 0.204 0.000 0.997 131 D CA 1.244 55.334 54.000 0.150 0.000 0.840 131 D CB -0.090 40.793 40.800 0.139 0.000 0.947 131 D HN 0.197 nan 8.370 nan 0.000 0.452 132 F N 0.624 120.657 119.950 0.138 0.000 2.163 132 F HA -0.009 4.519 4.527 0.002 0.000 0.297 132 F C 1.930 177.867 175.800 0.229 0.000 1.094 132 F CA 0.928 59.043 58.000 0.192 0.000 1.290 132 F CB -0.130 38.986 39.000 0.193 0.000 1.017 132 F HN -0.018 nan 8.300 nan 0.000 0.483 133 I N 0.964 121.552 120.570 0.030 0.000 2.226 133 I HA -0.298 3.873 4.170 0.002 0.000 0.245 133 I C 1.914 178.056 176.117 0.042 0.000 1.100 133 I CA 1.130 62.438 61.300 0.012 0.000 1.374 133 I CB -1.518 36.606 38.000 0.207 0.000 1.057 133 I HN 0.241 nan 8.210 nan 0.000 0.413 134 N N 1.185 119.943 118.700 0.097 0.000 2.104 134 N HA -0.217 4.524 4.740 0.002 0.000 0.190 134 N C 1.835 177.293 175.510 -0.086 0.000 1.024 134 N CA 1.275 54.360 53.050 0.059 0.000 0.853 134 N CB -0.410 38.150 38.487 0.122 0.000 1.008 134 N HN 0.524 nan 8.380 nan 0.000 0.424 135 Q N -0.490 119.272 119.800 -0.064 0.000 2.096 135 Q HA -0.182 4.159 4.340 0.002 0.000 0.204 135 Q C 1.861 177.644 176.000 -0.361 0.000 0.982 135 Q CA 1.332 57.104 55.803 -0.053 0.000 0.850 135 Q CB -0.265 28.582 28.738 0.181 0.000 0.901 135 Q HN 0.484 nan 8.270 nan 0.000 0.422 136 Y N -0.180 119.679 120.300 -0.735 0.000 2.163 136 Y HA -0.267 4.284 4.550 0.002 0.000 0.288 136 Y C 1.656 177.025 175.900 -0.885 0.000 1.136 136 Y CA 1.528 58.920 58.100 -1.181 0.000 1.147 136 Y CB -0.323 37.526 38.460 -1.018 0.000 0.987 136 Y HN 0.069 nan 8.280 nan 0.000 0.509 137 Y N -0.960 118.952 120.300 -0.646 0.000 2.314 137 Y HA -0.165 4.386 4.550 0.002 0.000 0.293 137 Y C 3.017 178.583 175.900 -0.557 0.000 1.129 137 Y CA 1.574 59.272 58.100 -0.671 0.000 1.201 137 Y CB -0.587 37.385 38.460 -0.814 0.000 0.999 137 Y HN 0.205 nan 8.280 nan 0.000 0.541 138 S N -0.566 114.924 115.700 -0.350 0.000 2.383 138 S HA -0.198 4.273 4.470 0.002 0.000 0.227 138 S C 2.371 176.806 174.600 -0.275 0.000 1.026 138 S CA 1.420 59.478 58.200 -0.236 0.000 0.981 138 S CB -0.634 62.482 63.200 -0.141 0.000 0.818 138 S HN 0.570 nan 8.310 nan 0.000 0.472 139 S N 1.999 117.436 115.700 -0.439 0.000 2.399 139 S HA -0.070 4.400 4.470 0.002 0.000 0.231 139 S C 1.679 176.046 174.600 -0.389 0.000 1.022 139 S CA 1.108 59.072 58.200 -0.393 0.000 0.983 139 S CB -0.959 61.876 63.200 -0.609 0.000 0.803 139 S HN 0.810 nan 8.310 nan 0.000 0.480 140 I N -2.759 117.476 120.570 -0.558 0.000 3.810 140 I HA 0.387 4.558 4.170 0.002 0.000 0.322 140 I C 0.167 176.134 176.117 -0.251 0.000 1.288 140 I CA -0.410 60.637 61.300 -0.422 0.000 1.143 140 I CB -0.078 37.573 38.000 -0.581 0.000 1.012 140 I HN -0.076 nan 8.210 nan 0.000 0.423 141 K N 0.506 120.782 120.400 -0.207 0.000 3.426 141 K HA -0.183 4.138 4.320 0.002 0.000 0.315 141 K C 0.455 177.006 176.600 -0.082 0.000 1.293 141 K CA 0.800 57.015 56.287 -0.120 0.000 0.955 141 K CB -1.739 30.710 32.500 -0.085 0.000 1.238 141 K HN 0.506 nan 8.250 nan 0.000 0.441 142 R N 0.933 121.384 120.500 -0.082 0.000 2.555 142 R HA 0.128 4.469 4.340 0.002 0.000 0.272 142 R C 0.218 176.541 176.300 0.038 0.000 1.089 142 R CA -0.084 56.026 56.100 0.016 0.000 1.126 142 R CB 0.259 30.622 30.300 0.106 0.000 1.250 142 R HN 0.127 nan 8.270 nan 0.000 0.551 143 S N 0.009 115.693 115.700 -0.027 0.000 2.546 143 S HA 0.240 4.711 4.470 0.002 0.000 0.290 143 S C 1.270 175.951 174.600 0.134 0.000 1.262 143 S CA 1.143 59.337 58.200 -0.010 0.000 1.083 143 S CB 0.199 63.379 63.200 -0.032 0.000 0.859 143 S HN 0.748 nan 8.310 nan 0.000 0.495 144 G N 3.249 112.298 108.800 0.414 0.000 2.176 144 G HA2 -0.283 3.678 3.960 0.002 0.000 0.253 144 G HA3 -0.283 3.678 3.960 0.002 0.000 0.253 144 G C 0.291 175.211 174.900 0.033 0.000 0.979 144 G CA 0.376 45.566 45.100 0.150 0.000 0.641 144 G HN 1.336 nan 8.290 nan 0.000 0.530 145 S N -0.697 115.032 115.700 0.048 0.000 2.633 145 S HA 0.493 4.964 4.470 0.002 0.000 0.257 145 S C 1.351 175.916 174.600 -0.058 0.000 1.265 145 S CA 0.487 58.684 58.200 -0.005 0.000 0.980 145 S CB 0.907 64.118 63.200 0.017 0.000 1.017 145 S HN 0.201 nan 8.310 nan 0.000 0.577 146 Q N 0.110 119.882 119.800 -0.048 0.000 2.083 146 Q HA -0.022 4.319 4.340 0.002 0.000 0.198 146 Q C 2.598 178.551 176.000 -0.078 0.000 0.969 146 Q CA 1.556 57.322 55.803 -0.061 0.000 0.838 146 Q CB -0.994 27.724 28.738 -0.032 0.000 0.900 146 Q HN 0.889 nan 8.270 nan 0.000 0.436 147 A N 0.480 123.269 122.820 -0.051 0.000 1.933 147 A HA -0.236 4.084 4.320 0.002 0.000 0.218 147 A C 1.911 179.318 177.584 -0.296 0.000 1.175 147 A CA 1.753 53.769 52.037 -0.036 0.000 0.628 147 A CB -0.928 18.152 19.000 0.133 0.000 0.814 147 A HN 0.540 nan 8.150 nan 0.000 0.444 148 H N -0.959 117.650 119.070 -0.767 0.000 2.321 148 H HA -0.116 4.441 4.556 0.002 0.000 0.300 148 H C 2.009 177.019 175.328 -0.530 0.000 1.087 148 H CA 1.254 56.571 56.048 -1.219 0.000 1.319 148 H CB 0.119 29.383 29.762 -0.829 0.000 1.379 148 H HN 0.411 nan 8.280 nan 0.000 0.501 149 E N 0.769 120.765 120.200 -0.339 0.000 2.051 149 E HA -0.160 4.191 4.350 0.002 0.000 0.192 149 E C 2.147 178.644 176.600 -0.172 0.000 0.991 149 E CA 1.103 57.330 56.400 -0.288 0.000 0.799 149 E CB -0.127 29.450 29.700 -0.206 0.000 0.748 149 E HN 0.668 nan 8.360 nan 0.000 0.449 150 E N 0.200 120.329 120.200 -0.118 0.000 2.150 150 E HA -0.166 4.185 4.350 0.002 0.000 0.193 150 E C 2.124 178.709 176.600 -0.024 0.000 0.985 150 E CA 0.667 57.034 56.400 -0.055 0.000 0.814 150 E CB 0.010 29.695 29.700 -0.025 0.000 0.752 150 E HN -0.077 nan 8.360 nan 0.000 0.466 151 R N 1.017 121.503 120.500 -0.023 0.000 2.090 151 R HA -0.058 4.283 4.340 0.002 0.000 0.228 151 R C 1.955 178.278 176.300 0.038 0.000 1.110 151 R CA 1.042 57.180 56.100 0.063 0.000 0.973 151 R CB -0.421 29.994 30.300 0.191 0.000 0.869 151 R HN 0.138 nan 8.270 nan 0.000 0.440 152 L N 0.216 121.426 121.223 -0.020 0.000 2.046 152 L HA -0.202 4.138 4.340 0.002 0.000 0.208 152 L C 2.574 179.414 176.870 -0.050 0.000 1.077 152 L CA 1.702 56.517 54.840 -0.042 0.000 0.747 152 L CB -0.458 41.538 42.059 -0.106 0.000 0.896 152 L HN 0.334 nan 8.230 nan 0.000 0.432 153 Q N -0.316 119.455 119.800 -0.049 0.000 2.084 153 Q HA -0.236 4.105 4.340 0.002 0.000 0.202 153 Q C 2.140 178.133 176.000 -0.012 0.000 0.978 153 Q CA 1.534 57.316 55.803 -0.035 0.000 0.844 153 Q CB -0.076 28.642 28.738 -0.034 0.000 0.898 153 Q HN 0.533 nan 8.270 nan 0.000 0.426 154 E N -0.163 120.042 120.200 0.008 0.000 2.058 154 E HA -0.189 4.161 4.350 0.002 0.000 0.194 154 E C 2.090 178.712 176.600 0.036 0.000 0.997 154 E CA 1.422 57.844 56.400 0.037 0.000 0.801 154 E CB -0.004 29.737 29.700 0.068 0.000 0.746 154 E HN 0.130 nan 8.360 nan 0.000 0.450 155 V N 1.724 121.633 119.914 -0.008 0.000 2.295 155 V HA -0.254 3.866 4.120 0.002 0.000 0.246 155 V C 2.164 178.200 176.094 -0.098 0.000 1.049 155 V CA 1.808 64.039 62.300 -0.114 0.000 1.024 155 V CB -0.443 31.198 31.823 -0.303 0.000 0.648 155 V HN 0.255 nan 8.190 nan 0.000 0.447 156 E N 0.328 120.486 120.200 -0.070 0.000 2.051 156 E HA -0.225 4.126 4.350 0.002 0.000 0.192 156 E C 2.368 178.962 176.600 -0.011 0.000 0.991 156 E CA 1.447 57.820 56.400 -0.045 0.000 0.799 156 E CB -0.374 29.303 29.700 -0.039 0.000 0.748 156 E HN 0.584 nan 8.360 nan 0.000 0.449 157 A N 1.498 124.320 122.820 0.002 0.000 1.908 157 A HA -0.260 4.061 4.320 0.002 0.000 0.218 157 A C 2.048 179.656 177.584 0.041 0.000 1.181 157 A CA 1.771 53.820 52.037 0.020 0.000 0.627 157 A CB -0.464 18.549 19.000 0.023 0.000 0.818 157 A HN 0.238 nan 8.150 nan 0.000 0.445 158 E N -0.591 119.646 120.200 0.062 0.000 2.072 158 E HA -0.079 4.272 4.350 0.002 0.000 0.190 158 E C 1.929 178.588 176.600 0.099 0.000 0.982 158 E CA 1.068 57.531 56.400 0.105 0.000 0.803 158 E CB -0.027 29.779 29.700 0.177 0.000 0.755 158 E HN 0.351 nan 8.360 nan 0.000 0.453 159 V N 1.107 121.067 119.914 0.076 0.000 2.307 159 V HA -0.240 3.881 4.120 0.002 0.000 0.245 159 V C 2.386 178.507 176.094 0.044 0.000 1.045 159 V CA 1.733 64.074 62.300 0.067 0.000 1.024 159 V CB -0.670 31.173 31.823 0.033 0.000 0.651 159 V HN 0.377 nan 8.190 nan 0.000 0.449 160 A N -0.498 122.339 122.820 0.029 0.000 1.940 160 A HA -0.219 4.102 4.320 0.002 0.000 0.219 160 A C 2.453 180.053 177.584 0.028 0.000 1.176 160 A CA 2.486 54.536 52.037 0.022 0.000 0.631 160 A CB -0.533 18.475 19.000 0.014 0.000 0.814 160 A HN 0.523 nan 8.150 nan 0.000 0.446 161 S N -1.529 114.193 115.700 0.037 0.000 2.421 161 S HA -0.033 4.438 4.470 0.002 0.000 0.224 161 S C 1.947 176.573 174.600 0.045 0.000 1.035 161 S CA 1.523 59.746 58.200 0.039 0.000 0.953 161 S CB -0.046 63.180 63.200 0.042 0.000 0.810 161 S HN 0.892 nan 8.310 nan 0.000 0.497 162 T N -2.721 111.867 114.554 0.057 0.000 2.975 162 T HA 0.447 4.798 4.350 0.002 0.000 0.257 162 T C 1.445 176.176 174.700 0.051 0.000 1.003 162 T CA 0.885 63.022 62.100 0.061 0.000 0.932 162 T CB 0.497 69.418 68.868 0.089 0.000 1.087 162 T HN 0.492 nan 8.240 nan 0.000 0.512 163 G N 0.354 109.183 108.800 0.049 0.000 2.184 163 G HA2 -0.208 3.753 3.960 0.002 0.000 0.264 163 G HA3 -0.208 3.753 3.960 0.002 0.000 0.264 163 G C 0.198 175.125 174.900 0.046 0.000 0.975 163 G CA 0.651 45.775 45.100 0.040 0.000 0.642 163 G HN 1.021 nan 8.290 nan 0.000 0.536 164 T N -1.559 113.033 114.554 0.064 0.000 2.671 164 T HA 0.698 5.049 4.350 0.002 0.000 0.300 164 T C -1.294 173.494 174.700 0.146 0.000 1.238 164 T CA 0.414 62.548 62.100 0.057 0.000 1.020 164 T CB 1.486 70.304 68.868 -0.082 0.000 1.503 164 T HN 1.565 nan 8.240 nan 0.000 0.497 165 Y N -0.695 119.510 120.300 -0.158 0.000 2.764 165 Y HA 0.834 5.385 4.550 0.002 0.000 0.331 165 Y C -1.682 174.018 175.900 -0.333 0.000 1.280 165 Y CA -1.156 56.888 58.100 -0.092 0.000 1.065 165 Y CB 0.733 39.199 38.460 0.011 0.000 1.319 165 Y HN 0.783 nan 8.280 nan 0.000 0.453 166 H N 0.431 119.477 119.070 -0.040 0.000 2.690 166 H HA 0.662 5.219 4.556 0.002 0.000 0.368 166 H C -1.085 174.251 175.328 0.015 0.000 1.150 166 H CA -0.818 55.156 56.048 -0.123 0.000 1.174 166 H CB 1.990 31.745 29.762 -0.012 0.000 1.684 166 H HN 0.731 nan 8.280 nan 0.000 0.538 167 L N 2.553 123.826 121.223 0.083 0.000 2.375 167 L HA 0.401 4.742 4.340 0.002 0.000 0.271 167 L C 0.340 177.281 176.870 0.117 0.000 1.107 167 L CA -0.959 53.968 54.840 0.145 0.000 0.806 167 L CB 0.425 42.545 42.059 0.102 0.000 1.146 167 L HN 0.390 nan 8.230 nan 0.000 0.447 168 R N 1.526 122.078 120.500 0.087 0.000 2.539 168 R HA 0.047 4.388 4.340 0.002 0.000 0.275 168 R C 0.934 177.224 176.300 -0.018 0.000 1.077 168 R CA -0.222 55.894 56.100 0.026 0.000 1.097 168 R CB 0.397 30.695 30.300 -0.003 0.000 1.018 168 R HN 0.660 nan 8.270 nan 0.000 0.483 169 E N 1.321 121.511 120.200 -0.018 0.000 2.065 169 E HA -0.259 4.092 4.350 0.002 0.000 0.201 169 E C 1.300 177.876 176.600 -0.040 0.000 1.016 169 E CA 2.408 58.788 56.400 -0.033 0.000 0.818 169 E CB 0.198 29.883 29.700 -0.024 0.000 0.749 169 E HN 0.684 nan 8.360 nan 0.000 0.453 170 S N 0.200 115.876 115.700 -0.040 0.000 2.382 170 S HA -0.197 4.274 4.470 0.002 0.000 0.228 170 S C 1.755 176.325 174.600 -0.050 0.000 1.027 170 S CA 1.309 59.507 58.200 -0.003 0.000 0.991 170 S CB -0.364 62.870 63.200 0.056 0.000 0.823 170 S HN 0.322 nan 8.310 nan 0.000 0.469 171 E N 1.178 121.198 120.200 -0.301 0.000 2.051 171 E HA -0.108 4.243 4.350 0.002 0.000 0.192 171 E C 2.066 178.765 176.600 0.164 0.000 0.991 171 E CA 1.256 57.486 56.400 -0.284 0.000 0.799 171 E CB -0.394 29.169 29.700 -0.229 0.000 0.748 171 E HN 0.429 nan 8.360 nan 0.000 0.449 172 L N 0.885 122.130 121.223 0.036 0.000 2.042 172 L HA -0.192 4.149 4.340 0.002 0.000 0.210 172 L C 2.222 179.076 176.870 -0.026 0.000 1.076 172 L CA 1.390 56.197 54.840 -0.055 0.000 0.749 172 L CB -0.262 41.701 42.059 -0.161 0.000 0.893 172 L HN -0.035 nan 8.230 nan 0.000 0.432 173 V N -0.543 119.385 119.914 0.022 0.000 2.343 173 V HA -0.319 3.802 4.120 0.002 0.000 0.247 173 V C 2.305 178.496 176.094 0.162 0.000 1.051 173 V CA 2.166 64.497 62.300 0.051 0.000 1.036 173 V CB -0.970 30.881 31.823 0.045 0.000 0.654 173 V HN 0.584 nan 8.190 nan 0.000 0.451 174 F N 2.075 122.108 119.950 0.138 0.000 2.134 174 F HA -0.035 4.493 4.527 0.002 0.000 0.299 174 F C 2.157 178.098 175.800 0.235 0.000 1.097 174 F CA 1.693 59.828 58.000 0.226 0.000 1.264 174 F CB -0.858 38.353 39.000 0.352 0.000 1.001 174 F HN 0.123 nan 8.300 nan 0.000 0.479 175 G N -0.286 108.605 108.800 0.152 0.000 2.408 175 G HA2 -0.177 3.784 3.960 0.002 0.000 0.217 175 G HA3 -0.177 3.784 3.960 0.002 0.000 0.217 175 G C 1.818 176.601 174.900 -0.196 0.000 1.150 175 G CA 0.750 45.834 45.100 -0.026 0.000 0.776 175 G HN 0.623 nan 8.290 nan 0.000 0.542 176 A N 0.973 123.707 122.820 -0.145 0.000 1.902 176 A HA 0.002 4.323 4.320 0.002 0.000 0.217 176 A C 2.306 179.906 177.584 0.026 0.000 1.181 176 A CA 1.936 53.902 52.037 -0.119 0.000 0.623 176 A CB -0.344 18.612 19.000 -0.073 0.000 0.818 176 A HN 0.375 nan 8.150 nan 0.000 0.443 177 K N -1.092 119.355 120.400 0.078 0.000 2.057 177 K HA -0.180 4.141 4.320 0.002 0.000 0.207 177 K C 2.337 179.012 176.600 0.126 0.000 1.049 177 K CA 1.578 58.015 56.287 0.251 0.000 0.931 177 K CB -0.133 32.551 32.500 0.308 0.000 0.714 177 K HN 0.391 nan 8.250 nan 0.000 0.440 178 Q N 0.551 120.244 119.800 -0.177 0.000 2.119 178 Q HA -0.032 4.309 4.340 0.002 0.000 0.201 178 Q C 1.873 177.740 176.000 -0.221 0.000 0.972 178 Q CA 1.612 57.206 55.803 -0.347 0.000 0.847 178 Q CB -0.192 28.198 28.738 -0.580 0.000 0.903 178 Q HN 0.344 nan 8.270 nan 0.000 0.433 179 A N -0.761 121.940 122.820 -0.198 0.000 1.933 179 A HA -0.175 4.146 4.320 0.002 0.000 0.218 179 A C 1.790 179.450 177.584 0.125 0.000 1.175 179 A CA 1.380 53.269 52.037 -0.247 0.000 0.628 179 A CB -1.052 17.472 19.000 -0.794 0.000 0.814 179 A HN 0.666 nan 8.150 nan 0.000 0.444 180 W N 0.973 122.314 121.300 0.068 0.000 2.378 180 W HA -0.113 4.548 4.660 0.001 0.000 0.313 180 W C 2.313 178.803 176.519 -0.047 0.000 1.197 180 W CA 1.464 58.850 57.345 0.069 0.000 1.304 180 W CB -0.767 28.724 29.460 0.051 0.000 1.148 180 W HN 0.355 nan 8.180 nan 0.000 0.494 181 R N 0.321 120.760 120.500 -0.103 0.000 2.133 181 R HA -0.219 4.122 4.340 0.002 0.000 0.247 181 R C 1.546 177.693 176.300 -0.255 0.000 1.151 181 R CA 1.950 57.771 56.100 -0.465 0.000 0.971 181 R CB -0.625 29.082 30.300 -0.989 0.000 0.866 181 R HN 0.130 nan 8.270 nan 0.000 0.447 182 N N 0.021 118.628 118.700 -0.155 0.000 2.398 182 N HA 0.028 4.769 4.740 0.002 0.000 0.188 182 N C -0.469 175.005 175.510 -0.061 0.000 1.122 182 N CA 0.594 53.575 53.050 -0.116 0.000 0.866 182 N CB 0.574 38.994 38.487 -0.111 0.000 0.970 182 N HN 0.172 nan 8.380 nan 0.000 0.462 183 A N 1.943 124.772 122.820 0.014 0.000 2.410 183 A HA 0.292 4.613 4.320 0.002 0.000 0.292 183 A C -1.361 176.213 177.584 -0.016 0.000 1.232 183 A CA -0.999 51.050 52.037 0.020 0.000 0.893 183 A CB 0.450 19.502 19.000 0.085 0.000 1.131 183 A HN -0.017 nan 8.150 nan 0.000 0.530 184 P HA -0.061 nan 4.420 nan 0.000 0.223 184 P C 1.051 178.317 177.300 -0.057 0.000 1.151 184 P CA 0.941 64.000 63.100 -0.068 0.000 0.787 184 P CB 0.185 31.808 31.700 -0.127 0.000 0.788 185 R N -1.852 118.580 120.500 -0.113 0.000 2.310 185 R HA 0.125 4.466 4.340 0.002 0.000 0.202 185 R C 0.302 176.601 176.300 -0.002 0.000 0.933 185 R CA -0.070 55.973 56.100 -0.095 0.000 1.054 185 R CB -0.489 29.595 30.300 -0.361 0.000 0.985 185 R HN 0.172 nan 8.270 nan 0.000 0.489 186 C N 0.577 119.875 119.300 -0.004 0.000 2.265 186 C HA 0.222 4.683 4.460 0.002 0.000 0.332 186 C C 1.856 176.822 174.990 -0.039 0.000 1.248 186 C CA -0.671 58.368 59.018 0.036 0.000 1.727 186 C CB 0.550 28.381 27.740 0.151 0.000 2.348 186 C HN 0.279 nan 8.230 nan 0.000 0.519 187 V N 6.107 125.950 119.914 -0.119 0.000 3.306 187 V HA 0.196 4.317 4.120 0.002 0.000 0.264 187 V C 1.835 177.967 176.094 0.062 0.000 1.149 187 V CA 2.080 64.218 62.300 -0.270 0.000 1.143 187 V CB -0.129 31.535 31.823 -0.264 0.000 0.767 187 V HN 1.079 nan 8.190 nan 0.000 0.476 188 G N -0.661 108.202 108.800 0.104 0.000 3.181 188 G HA2 -0.008 3.953 3.960 0.002 0.000 0.219 188 G HA3 -0.008 3.953 3.960 0.002 0.000 0.219 188 G C 1.348 176.295 174.900 0.077 0.000 1.182 188 G CA -0.257 44.919 45.100 0.126 0.000 0.791 188 G HN 0.440 nan 8.290 nan 0.000 0.537 189 R N -0.266 120.201 120.500 -0.054 0.000 2.285 189 R HA 0.157 4.498 4.340 0.002 0.000 0.213 189 R C 2.006 177.917 176.300 -0.649 0.000 1.068 189 R CA 0.101 55.892 56.100 -0.515 0.000 1.004 189 R CB -0.160 29.799 30.300 -0.567 0.000 0.873 189 R HN 0.419 nan 8.270 nan 0.000 0.467 190 I N 0.905 121.258 120.570 -0.361 0.000 2.700 190 I HA -0.244 3.927 4.170 0.002 0.000 0.261 190 I C 1.296 177.321 176.117 -0.152 0.000 1.219 190 I CA 1.195 62.433 61.300 -0.104 0.000 1.463 190 I CB 0.176 38.205 38.000 0.049 0.000 1.092 190 I HN 0.185 nan 8.210 nan 0.000 0.452 191 Q N 0.372 120.017 119.800 -0.259 0.000 2.403 191 Q HA -0.093 4.248 4.340 0.002 0.000 0.203 191 Q C 1.599 177.173 176.000 -0.711 0.000 0.932 191 Q CA 0.330 55.967 55.803 -0.276 0.000 0.945 191 Q CB -0.168 28.569 28.738 -0.001 0.000 1.045 191 Q HN 0.776 nan 8.270 nan 0.000 0.511 192 W N -0.259 120.377 121.300 -1.107 0.000 2.331 192 W HA -0.101 4.560 4.660 0.002 0.000 0.291 192 W C 1.118 177.337 176.519 -0.500 0.000 1.214 192 W CA 1.151 57.676 57.345 -1.368 0.000 1.228 192 W CB -1.142 27.741 29.460 -0.962 0.000 1.135 192 W HN 0.089 nan 8.180 nan 0.000 0.537 193 G N 1.055 109.220 108.800 -1.058 0.000 2.813 193 G HA2 -0.114 3.847 3.960 0.002 0.000 0.209 193 G HA3 -0.114 3.847 3.960 0.002 0.000 0.209 193 G C 0.634 175.336 174.900 -0.330 0.000 1.150 193 G CA -0.184 44.370 45.100 -0.909 0.000 0.785 193 G HN 0.196 nan 8.290 nan 0.000 0.535 194 K N 0.300 120.598 120.400 -0.169 0.000 2.414 194 K HA 0.536 4.857 4.320 0.002 0.000 0.251 194 K C -1.789 174.939 176.600 0.213 0.000 1.037 194 K CA -0.668 55.632 56.287 0.023 0.000 0.980 194 K CB 0.596 33.125 32.500 0.050 0.000 1.280 194 K HN 0.068 nan 8.250 nan 0.000 0.451 195 L N 3.370 124.691 121.223 0.163 0.000 2.580 195 L HA 0.262 4.603 4.340 0.002 0.000 0.266 195 L C -1.336 175.541 176.870 0.012 0.000 0.955 195 L CA -0.369 54.579 54.840 0.180 0.000 0.886 195 L CB 1.912 44.153 42.059 0.303 0.000 1.263 195 L HN 0.469 nan 8.230 nan 0.000 0.406 196 Q N 2.841 122.599 119.800 -0.071 0.000 2.293 196 Q HA 0.528 4.869 4.340 0.002 0.000 0.263 196 Q C -1.411 174.297 176.000 -0.486 0.000 1.002 196 Q CA 0.117 55.704 55.803 -0.359 0.000 0.910 196 Q CB 1.137 29.538 28.738 -0.562 0.000 1.185 196 Q HN 0.527 nan 8.270 nan 0.000 0.401 197 V N 6.412 126.019 119.914 -0.511 0.000 2.357 197 V HA 0.390 4.511 4.120 0.002 0.000 0.284 197 V C -0.784 174.990 176.094 -0.534 0.000 1.018 197 V CA -0.556 61.511 62.300 -0.388 0.000 0.841 197 V CB 0.376 32.076 31.823 -0.205 0.000 0.991 197 V HN 0.641 nan 8.190 nan 0.000 0.437 198 F N 2.663 122.496 119.950 -0.194 0.000 2.405 198 F HA 0.391 4.919 4.527 0.002 0.000 0.355 198 F C 0.512 176.166 175.800 -0.244 0.000 1.121 198 F CA -0.795 57.090 58.000 -0.191 0.000 1.112 198 F CB 1.069 39.971 39.000 -0.164 0.000 1.126 198 F HN 0.414 nan 8.300 nan 0.000 0.481 199 D N 3.109 123.480 120.400 -0.048 0.000 2.365 199 D HA 0.392 5.033 4.640 0.002 0.000 0.237 199 D C 0.058 176.208 176.300 -0.250 0.000 1.190 199 D CA -0.000 53.907 54.000 -0.156 0.000 0.867 199 D CB 1.173 41.917 40.800 -0.093 0.000 1.050 199 D HN 0.611 nan 8.370 nan 0.000 0.491 200 A N 4.532 127.027 122.820 -0.542 0.000 2.630 200 A HA 0.170 4.491 4.320 0.002 0.000 0.290 200 A C 1.559 178.827 177.584 -0.526 0.000 1.267 200 A CA -0.391 51.055 52.037 -0.985 0.000 0.950 200 A CB 0.024 17.941 19.000 -1.805 0.000 1.144 200 A HN 0.551 nan 8.150 nan 0.000 0.527 201 R N 0.985 121.323 120.500 -0.271 0.000 2.280 201 R HA -0.043 4.298 4.340 0.002 0.000 0.207 201 R C -0.077 176.174 176.300 -0.081 0.000 1.043 201 R CA 1.021 57.041 56.100 -0.134 0.000 1.006 201 R CB 0.044 30.328 30.300 -0.027 0.000 0.885 201 R HN 0.632 nan 8.270 nan 0.000 0.467 202 D N 0.284 120.655 120.400 -0.048 0.000 2.943 202 D HA 0.015 4.656 4.640 0.002 0.000 0.249 202 D C -0.850 175.515 176.300 0.109 0.000 1.231 202 D CA -0.331 53.693 54.000 0.039 0.000 0.979 202 D CB -0.033 40.809 40.800 0.070 0.000 1.053 202 D HN -0.043 nan 8.370 nan 0.000 0.504 203 C N 1.549 120.885 119.300 0.061 0.000 2.396 203 C HA 0.593 5.054 4.460 0.002 0.000 0.321 203 C C 1.073 176.192 174.990 0.215 0.000 1.233 203 C CA -0.170 58.952 59.018 0.173 0.000 1.440 203 C CB 0.913 28.747 27.740 0.156 0.000 2.110 203 C HN 0.543 nan 8.230 nan 0.000 0.473 204 S N 2.435 118.305 115.700 0.283 0.000 2.666 204 S HA 0.348 4.819 4.470 0.002 0.000 0.239 204 S C 0.084 174.850 174.600 0.277 0.000 1.031 204 S CA 0.288 58.678 58.200 0.318 0.000 1.015 204 S CB -0.160 63.160 63.200 0.199 0.000 0.981 204 S HN 1.386 nan 8.310 nan 0.000 0.547 205 S N -0.453 115.410 115.700 0.272 0.000 2.596 205 S HA 0.808 5.279 4.470 0.002 0.000 0.270 205 S C 0.811 175.505 174.600 0.157 0.000 1.155 205 S CA -0.300 58.002 58.200 0.171 0.000 0.827 205 S CB 0.993 64.271 63.200 0.130 0.000 1.130 205 S HN 0.469 nan 8.310 nan 0.000 0.467 206 A N 1.038 123.921 122.820 0.105 0.000 1.902 206 A HA -0.067 4.254 4.320 0.002 0.000 0.217 206 A C 2.132 179.676 177.584 -0.067 0.000 1.181 206 A CA 1.606 53.685 52.037 0.069 0.000 0.623 206 A CB -1.045 18.068 19.000 0.187 0.000 0.818 206 A HN 0.779 nan 8.150 nan 0.000 0.443 207 Q N -0.028 119.815 119.800 0.072 0.000 2.077 207 Q HA -0.232 4.109 4.340 0.002 0.000 0.206 207 Q C 1.876 177.868 176.000 -0.014 0.000 0.989 207 Q CA 2.264 58.070 55.803 0.005 0.000 0.853 207 Q CB -0.317 28.517 28.738 0.160 0.000 0.907 207 Q HN 0.831 nan 8.270 nan 0.000 0.418 208 E N -0.577 119.667 120.200 0.075 0.000 2.150 208 E HA -0.110 4.241 4.350 0.002 0.000 0.193 208 E C 2.152 178.899 176.600 0.244 0.000 0.985 208 E CA 0.760 57.243 56.400 0.138 0.000 0.814 208 E CB -0.072 29.758 29.700 0.216 0.000 0.752 208 E HN 0.355 nan 8.360 nan 0.000 0.466 209 M N -0.053 119.636 119.600 0.147 0.000 2.108 209 M HA -0.179 4.302 4.480 0.002 0.000 0.261 209 M C 2.166 178.519 176.300 0.088 0.000 1.066 209 M CA 1.342 56.672 55.300 0.050 0.000 1.107 209 M CB -0.340 32.064 32.600 -0.326 0.000 1.356 209 M HN 0.137 nan 8.290 nan 0.000 0.406 210 F N 1.343 121.102 119.950 -0.319 0.000 2.102 210 F HA -0.188 4.340 4.527 0.002 0.000 0.298 210 F C 2.344 178.037 175.800 -0.180 0.000 1.105 210 F CA 1.899 59.654 58.000 -0.408 0.000 1.239 210 F CB -0.825 37.601 39.000 -0.957 0.000 0.991 210 F HN 0.046 nan 8.300 nan 0.000 0.474 211 T N -0.318 114.082 114.554 -0.256 0.000 2.684 211 T HA -0.252 4.099 4.350 0.002 0.000 0.267 211 T C 1.740 176.272 174.700 -0.280 0.000 1.036 211 T CA 2.000 63.898 62.100 -0.337 0.000 1.148 211 T CB -0.795 67.924 68.868 -0.248 0.000 0.863 211 T HN 0.298 nan 8.240 nan 0.000 0.436 212 Y N 0.928 121.179 120.300 -0.082 0.000 2.165 212 Y HA -0.044 4.507 4.550 0.002 0.000 0.286 212 Y C 2.263 178.114 175.900 -0.081 0.000 1.155 212 Y CA 0.701 58.767 58.100 -0.057 0.000 1.164 212 Y CB -0.542 37.981 38.460 0.105 0.000 0.978 212 Y HN 0.191 nan 8.280 nan 0.000 0.513 213 I N -1.632 119.015 120.570 0.129 0.000 2.226 213 I HA -0.352 3.819 4.170 0.002 0.000 0.245 213 I C 2.272 178.322 176.117 -0.112 0.000 1.100 213 I CA 0.969 62.285 61.300 0.026 0.000 1.374 213 I CB -0.421 37.596 38.000 0.029 0.000 1.057 213 I HN 0.296 nan 8.210 nan 0.000 0.413 214 C N 0.578 119.699 119.300 -0.299 0.000 2.425 214 C HA -0.140 4.321 4.460 0.002 0.000 0.277 214 C C 2.487 177.364 174.990 -0.188 0.000 1.280 214 C CA 1.197 60.024 59.018 -0.319 0.000 1.744 214 C CB -1.622 25.793 27.740 -0.542 0.000 1.989 214 C HN 0.546 nan 8.230 nan 0.000 0.491 215 N N -0.705 117.869 118.700 -0.210 0.000 2.188 215 N HA -0.174 4.567 4.740 0.002 0.000 0.184 215 N C 1.601 176.988 175.510 -0.205 0.000 1.018 215 N CA 1.164 54.084 53.050 -0.217 0.000 0.858 215 N CB -0.316 37.986 38.487 -0.308 0.000 0.989 215 N HN 0.705 nan 8.380 nan 0.000 0.426 216 H N 1.115 119.990 119.070 -0.324 0.000 2.267 216 H HA -0.073 4.484 4.556 0.002 0.000 0.297 216 H C 2.084 177.404 175.328 -0.014 0.000 1.080 216 H CA 1.697 57.608 56.048 -0.230 0.000 1.278 216 H CB -0.020 29.665 29.762 -0.128 0.000 1.365 216 H HN 0.111 nan 8.280 nan 0.000 0.489 217 I N 0.865 121.565 120.570 0.218 0.000 2.151 217 I HA -0.326 3.845 4.170 0.002 0.000 0.243 217 I C 2.725 178.907 176.117 0.110 0.000 1.080 217 I CA 1.603 62.996 61.300 0.156 0.000 1.339 217 I CB -0.419 37.603 38.000 0.037 0.000 1.039 217 I HN 0.356 nan 8.210 nan 0.000 0.409 218 K N 0.922 121.353 120.400 0.051 0.000 2.057 218 K HA -0.265 4.056 4.320 0.002 0.000 0.207 218 K C 2.296 178.935 176.600 0.065 0.000 1.049 218 K CA 1.859 58.166 56.287 0.034 0.000 0.931 218 K CB -0.623 31.875 32.500 -0.003 0.000 0.714 218 K HN 0.334 nan 8.250 nan 0.000 0.440 219 Y N 0.980 121.274 120.300 -0.010 0.000 2.145 219 Y HA -0.193 4.358 4.550 0.002 0.000 0.286 219 Y C 2.186 178.131 175.900 0.076 0.000 1.145 219 Y CA 2.336 60.462 58.100 0.044 0.000 1.148 219 Y CB -0.401 38.117 38.460 0.096 0.000 0.981 219 Y HN 0.180 nan 8.280 nan 0.000 0.507 220 A N -0.919 122.049 122.820 0.247 0.000 1.929 220 A HA -0.111 4.210 4.320 0.002 0.000 0.216 220 A C 2.157 179.802 177.584 0.102 0.000 1.176 220 A CA 1.989 54.154 52.037 0.212 0.000 0.628 220 A CB -1.153 18.011 19.000 0.274 0.000 0.816 220 A HN 0.516 nan 8.150 nan 0.000 0.444 221 T N -0.379 114.224 114.554 0.083 0.000 2.732 221 T HA -0.085 4.266 4.350 0.002 0.000 0.261 221 T C 0.989 175.689 174.700 0.001 0.000 1.040 221 T CA 0.935 63.073 62.100 0.063 0.000 1.145 221 T CB -0.482 68.423 68.868 0.062 0.000 0.866 221 T HN 0.732 nan 8.240 nan 0.000 0.427 222 N N 0.728 119.397 118.700 -0.050 0.000 2.714 222 N HA -0.263 4.478 4.740 0.002 0.000 0.253 222 N C -0.696 174.781 175.510 -0.055 0.000 1.024 222 N CA 0.107 53.101 53.050 -0.093 0.000 0.726 222 N CB -0.462 37.924 38.487 -0.168 0.000 0.908 222 N HN 0.259 nan 8.380 nan 0.000 0.542 223 R N -1.467 119.013 120.500 -0.033 0.000 3.610 223 R HA -0.249 4.092 4.340 0.002 0.000 0.274 223 R C 1.363 177.646 176.300 -0.029 0.000 1.123 223 R CA 1.725 57.809 56.100 -0.028 0.000 0.747 223 R CB -1.840 28.441 30.300 -0.031 0.000 1.149 223 R HN 0.912 nan 8.270 nan 0.000 0.471 224 G N -1.148 107.641 108.800 -0.017 0.000 2.259 224 G HA2 -0.346 3.615 3.960 0.002 0.000 0.217 224 G HA3 -0.346 3.615 3.960 0.002 0.000 0.217 224 G C 0.038 174.926 174.900 -0.020 0.000 1.001 224 G CA 0.013 45.104 45.100 -0.016 0.000 0.627 224 G HN 0.503 nan 8.290 nan 0.000 0.501 225 N N 1.308 119.984 118.700 -0.040 0.000 2.968 225 N HA 0.415 5.156 4.740 0.002 0.000 0.271 225 N C 0.107 175.592 175.510 -0.042 0.000 1.174 225 N CA -0.610 52.401 53.050 -0.065 0.000 1.096 225 N CB -0.085 38.358 38.487 -0.074 0.000 1.403 225 N HN 0.154 nan 8.380 nan 0.000 0.522 226 L N 2.373 123.597 121.223 0.002 0.000 2.483 226 L HA 0.154 4.495 4.340 0.002 0.000 0.276 226 L C 0.664 177.659 176.870 0.208 0.000 1.213 226 L CA 0.828 55.748 54.840 0.134 0.000 0.843 226 L CB 0.446 42.675 42.059 0.284 0.000 1.107 226 L HN 0.367 nan 8.230 nan 0.000 0.487 227 R N 1.365 122.011 120.500 0.244 0.000 2.502 227 R HA 0.364 4.705 4.340 0.002 0.000 0.300 227 R C -0.670 175.824 176.300 0.324 0.000 0.984 227 R CA -0.623 55.645 56.100 0.280 0.000 0.882 227 R CB 1.676 32.028 30.300 0.086 0.000 1.180 227 R HN 0.608 nan 8.270 nan 0.000 0.444 228 S N 1.684 117.578 115.700 0.324 0.000 2.563 228 S HA 0.270 4.741 4.470 0.002 0.000 0.294 228 S C -0.125 174.553 174.600 0.129 0.000 1.279 228 S CA 0.046 58.329 58.200 0.137 0.000 1.069 228 S CB 0.867 64.110 63.200 0.071 0.000 0.828 228 S HN 0.680 nan 8.310 nan 0.000 0.497 229 A N 3.015 125.870 122.820 0.059 0.000 2.594 229 A HA 0.811 5.132 4.320 0.002 0.000 0.295 229 A C -1.092 176.543 177.584 0.085 0.000 1.071 229 A CA -0.658 51.369 52.037 -0.016 0.000 0.685 229 A CB 1.220 20.144 19.000 -0.127 0.000 1.285 229 A HN 0.791 nan 8.150 nan 0.000 0.405 230 I N 0.651 121.273 120.570 0.088 0.000 2.647 230 I HA 0.675 4.846 4.170 0.002 0.000 0.295 230 I C -0.979 175.282 176.117 0.239 0.000 1.078 230 I CA -0.154 61.303 61.300 0.262 0.000 1.048 230 I CB 2.424 40.531 38.000 0.179 0.000 1.239 230 I HN 0.616 nan 8.210 nan 0.000 0.421 231 T N 6.100 120.820 114.554 0.277 0.000 2.807 231 T HA 0.490 4.840 4.350 0.002 0.000 0.279 231 T C -0.888 173.649 174.700 -0.271 0.000 0.993 231 T CA -0.395 61.717 62.100 0.019 0.000 0.970 231 T CB 1.725 70.602 68.868 0.015 0.000 0.950 231 T HN 0.262 nan 8.240 nan 0.000 0.441 232 V N 4.746 124.398 119.914 -0.437 0.000 2.334 232 V HA 0.471 4.592 4.120 0.002 0.000 0.281 232 V C -0.497 175.288 176.094 -0.515 0.000 1.016 232 V CA -0.855 61.205 62.300 -0.399 0.000 0.832 232 V CB 0.069 31.633 31.823 -0.431 0.000 0.999 232 V HN 0.732 nan 8.190 nan 0.000 0.439 233 F N 5.174 125.057 119.950 -0.113 0.000 2.368 233 F HA 0.482 5.010 4.527 0.002 0.000 0.308 233 F C -1.797 173.910 175.800 -0.156 0.000 1.198 233 F CA -2.338 55.522 58.000 -0.233 0.000 1.130 233 F CB 0.094 38.955 39.000 -0.232 0.000 1.300 233 F HN 0.276 nan 8.300 nan 0.000 0.537 234 P HA 0.028 nan 4.420 nan 0.000 0.268 234 P C -1.038 176.250 177.300 -0.020 0.000 1.205 234 P CA -0.285 62.713 63.100 -0.170 0.000 0.771 234 P CB 0.264 31.684 31.700 -0.467 0.000 0.858 235 Q N 3.345 123.086 119.800 -0.099 0.000 2.474 235 Q HA 0.099 4.440 4.340 0.002 0.000 0.256 235 Q C -0.112 175.785 176.000 -0.172 0.000 1.048 235 Q CA -0.257 55.271 55.803 -0.459 0.000 0.922 235 Q CB 0.430 28.650 28.738 -0.863 0.000 1.288 235 Q HN 0.337 nan 8.270 nan 0.000 0.484 236 R N 0.139 120.521 120.500 -0.196 0.000 2.640 236 R HA 0.246 4.587 4.340 0.002 0.000 0.270 236 R C -0.637 175.604 176.300 -0.098 0.000 1.024 236 R CA 0.626 56.675 56.100 -0.085 0.000 1.085 236 R CB 0.281 30.521 30.300 -0.098 0.000 0.963 236 R HN 0.729 nan 8.270 nan 0.000 0.426 237 A N 4.384 127.188 122.820 -0.028 0.000 2.374 237 A HA 0.418 4.739 4.320 0.002 0.000 0.305 237 A C -1.705 175.871 177.584 -0.012 0.000 1.053 237 A CA -1.438 50.585 52.037 -0.023 0.000 0.726 237 A CB 1.552 20.565 19.000 0.022 0.000 1.229 237 A HN 0.476 nan 8.150 nan 0.000 0.431 238 P HA -0.123 nan 4.420 nan 0.000 0.218 238 P C 1.251 178.551 177.300 0.000 0.000 1.148 238 P CA 1.894 64.988 63.100 -0.011 0.000 0.822 238 P CB 0.106 31.800 31.700 -0.010 0.000 0.784 239 G N -0.176 108.628 108.800 0.008 0.000 3.124 239 G HA2 0.104 4.065 3.960 0.002 0.000 0.212 239 G HA3 0.104 4.065 3.960 0.002 0.000 0.212 239 G C 0.545 175.452 174.900 0.012 0.000 1.181 239 G CA -0.189 44.918 45.100 0.012 0.000 0.803 239 G HN 0.458 nan 8.290 nan 0.000 0.529 240 R N -2.668 117.838 120.500 0.010 0.000 2.728 240 R HA 0.565 4.906 4.340 0.002 0.000 0.274 240 R C 0.114 176.415 176.300 0.001 0.000 1.030 240 R CA -0.480 55.623 56.100 0.006 0.000 0.876 240 R CB -0.006 30.299 30.300 0.009 0.000 1.259 240 R HN 0.033 nan 8.270 nan 0.000 0.468 241 G N 0.357 109.150 108.800 -0.012 0.000 2.614 241 G HA2 0.232 4.193 3.960 0.002 0.000 0.239 241 G HA3 0.232 4.193 3.960 0.002 0.000 0.239 241 G C -0.839 174.050 174.900 -0.019 0.000 1.240 241 G CA -0.349 44.743 45.100 -0.014 0.000 0.842 241 G HN 0.573 nan 8.290 nan 0.000 0.584 242 D N -0.297 120.110 120.400 0.012 0.000 2.304 242 D HA 0.265 4.906 4.640 0.002 0.000 0.247 242 D C 0.091 176.414 176.300 0.037 0.000 1.089 242 D CA 0.046 54.087 54.000 0.069 0.000 0.910 242 D CB 0.913 41.765 40.800 0.087 0.000 1.199 242 D HN 0.112 nan 8.370 nan 0.000 0.426 243 F N 1.686 121.667 119.950 0.051 0.000 2.538 243 F HA 0.198 4.726 4.527 0.002 0.000 0.371 243 F C 1.238 177.075 175.800 0.062 0.000 1.087 243 F CA 0.366 58.389 58.000 0.038 0.000 1.250 243 F CB 0.468 39.487 39.000 0.033 0.000 1.110 243 F HN -0.165 nan 8.300 nan 0.000 0.570 244 R N 3.501 124.136 120.500 0.224 0.000 2.626 244 R HA 0.477 4.818 4.340 0.002 0.000 0.274 244 R C -1.355 175.088 176.300 0.239 0.000 1.031 244 R CA -0.910 55.331 56.100 0.234 0.000 0.898 244 R CB 2.050 32.516 30.300 0.277 0.000 1.222 244 R HN 0.597 nan 8.270 nan 0.000 0.455 245 I N 1.966 122.663 120.570 0.212 0.000 2.321 245 I HA 0.186 4.357 4.170 0.002 0.000 0.291 245 I C 0.575 176.899 176.117 0.345 0.000 0.998 245 I CA -0.378 61.045 61.300 0.205 0.000 1.227 245 I CB 1.124 39.184 38.000 0.100 0.000 1.368 245 I HN 0.525 nan 8.210 nan 0.000 0.466 246 W N 3.409 124.744 121.300 0.059 0.000 2.388 246 W HA -0.061 4.600 4.660 0.002 0.000 0.294 246 W C 0.979 177.582 176.519 0.141 0.000 1.212 246 W CA 0.086 57.523 57.345 0.152 0.000 1.271 246 W CB -0.885 28.614 29.460 0.066 0.000 1.126 246 W HN 0.402 nan 8.180 nan 0.000 0.535 247 N N 0.184 119.030 118.700 0.244 0.000 2.395 247 N HA -0.014 4.727 4.740 0.002 0.000 0.246 247 N C 1.329 176.903 175.510 0.107 0.000 1.246 247 N CA 0.954 54.074 53.050 0.117 0.000 0.879 247 N CB 0.617 39.111 38.487 0.012 0.000 1.098 247 N HN -0.069 nan 8.380 nan 0.000 0.444 248 S N 0.689 116.445 115.700 0.092 0.000 2.436 248 S HA -0.020 4.451 4.470 0.002 0.000 0.228 248 S C 0.296 174.897 174.600 0.001 0.000 1.014 248 S CA 0.585 58.830 58.200 0.074 0.000 0.950 248 S CB 0.077 63.343 63.200 0.111 0.000 0.784 248 S HN 0.649 nan 8.310 nan 0.000 0.504 249 Q N -0.636 119.146 119.800 -0.029 0.000 2.421 249 Q HA 0.511 4.852 4.340 0.002 0.000 0.280 249 Q C 0.193 176.107 176.000 -0.142 0.000 1.085 249 Q CA -0.572 55.173 55.803 -0.096 0.000 0.807 249 Q CB 1.984 30.691 28.738 -0.051 0.000 1.405 249 Q HN 0.113 nan 8.270 nan 0.000 0.419 250 L N 0.062 121.177 121.223 -0.181 0.000 2.093 250 L HA 0.013 4.354 4.340 0.002 0.000 0.208 250 L C 0.431 177.153 176.870 -0.247 0.000 1.085 250 L CA 0.856 55.589 54.840 -0.177 0.000 0.755 250 L CB 0.086 42.038 42.059 -0.178 0.000 0.904 250 L HN 0.272 nan 8.230 nan 0.000 0.435 251 V N 0.946 120.620 119.914 -0.401 0.000 2.409 251 V HA 0.476 4.597 4.120 0.002 0.000 0.291 251 V C -0.194 175.314 176.094 -0.977 0.000 1.020 251 V CA -0.644 61.235 62.300 -0.702 0.000 0.848 251 V CB 1.590 32.864 31.823 -0.916 0.000 0.990 251 V HN 0.190 nan 8.190 nan 0.000 0.430 252 R N 2.759 122.845 120.500 -0.692 0.000 2.668 252 R HA 0.484 4.825 4.340 0.002 0.000 0.272 252 R C -1.860 174.241 176.300 -0.331 0.000 1.019 252 R CA -0.828 54.999 56.100 -0.456 0.000 0.894 252 R CB 2.552 32.749 30.300 -0.172 0.000 1.228 252 R HN 0.555 nan 8.270 nan 0.000 0.460 253 Y N 0.480 120.766 120.300 -0.023 0.000 2.308 253 Y HA 0.395 4.946 4.550 0.002 0.000 0.329 253 Y C 0.951 176.824 175.900 -0.046 0.000 1.111 253 Y CA -0.676 57.429 58.100 0.009 0.000 1.179 253 Y CB 1.112 39.641 38.460 0.115 0.000 1.201 253 Y HN 0.672 nan 8.280 nan 0.000 0.483 254 A N 1.882 124.745 122.820 0.072 0.000 2.466 254 A HA 0.519 4.840 4.320 0.002 0.000 0.238 254 A C 0.636 178.007 177.584 -0.355 0.000 1.074 254 A CA 0.341 52.261 52.037 -0.196 0.000 0.774 254 A CB -0.254 18.575 19.000 -0.285 0.000 1.015 254 A HN 0.937 nan 8.150 nan 0.000 0.498 255 G N 0.522 109.084 108.800 -0.397 0.000 2.574 255 G HA2 0.547 4.507 3.960 0.002 0.000 0.306 255 G HA3 0.547 4.507 3.960 0.002 0.000 0.306 255 G C -1.196 173.496 174.900 -0.347 0.000 1.334 255 G CA -0.284 44.615 45.100 -0.335 0.000 0.954 255 G HN 0.513 nan 8.290 nan 0.000 0.500 256 Y N 1.507 121.815 120.300 0.014 0.000 2.385 256 Y HA 0.483 5.034 4.550 0.002 0.000 0.341 256 Y C 0.893 176.792 175.900 -0.002 0.000 0.965 256 Y CA -1.148 56.962 58.100 0.017 0.000 1.180 256 Y CB 1.318 39.785 38.460 0.011 0.000 1.139 256 Y HN 0.492 nan 8.280 nan 0.000 0.502 257 R N 3.010 123.590 120.500 0.133 0.000 2.489 257 R HA 0.131 4.472 4.340 0.002 0.000 0.287 257 R C -0.340 176.006 176.300 0.076 0.000 1.053 257 R CA 0.036 56.182 56.100 0.078 0.000 1.036 257 R CB 0.354 30.690 30.300 0.059 0.000 0.966 257 R HN 0.590 nan 8.270 nan 0.000 0.432 258 Q N 2.655 122.485 119.800 0.049 0.000 2.248 258 Q HA 0.093 4.434 4.340 0.002 0.000 0.263 258 Q C 0.616 176.627 176.000 0.018 0.000 1.007 258 Q CA -0.689 55.133 55.803 0.031 0.000 0.877 258 Q CB 1.461 30.213 28.738 0.023 0.000 1.315 258 Q HN 0.584 nan 8.270 nan 0.000 0.454 259 Q N 0.838 120.643 119.800 0.008 0.000 2.152 259 Q HA -0.190 4.151 4.340 0.002 0.000 0.206 259 Q C 0.704 176.707 176.000 0.005 0.000 0.985 259 Q CA 1.944 57.749 55.803 0.004 0.000 0.863 259 Q CB -0.099 28.637 28.738 -0.003 0.000 0.904 259 Q HN 0.617 nan 8.270 nan 0.000 0.422 260 D N -0.930 119.473 120.400 0.005 0.000 2.323 260 D HA 0.080 4.721 4.640 0.002 0.000 0.239 260 D C 0.884 177.189 176.300 0.008 0.000 1.129 260 D CA 0.672 54.675 54.000 0.005 0.000 0.865 260 D CB -0.117 40.685 40.800 0.002 0.000 0.913 260 D HN 0.404 nan 8.370 nan 0.000 0.517 261 G N 1.253 110.059 108.800 0.011 0.000 2.196 261 G HA2 -0.370 3.591 3.960 0.002 0.000 0.268 261 G HA3 -0.370 3.591 3.960 0.002 0.000 0.268 261 G C 0.622 175.530 174.900 0.015 0.000 0.975 261 G CA 0.871 45.980 45.100 0.014 0.000 0.648 261 G HN 0.677 nan 8.290 nan 0.000 0.538 262 S N -1.305 114.403 115.700 0.013 0.000 2.661 262 S HA 0.727 5.198 4.470 0.002 0.000 0.265 262 S C -0.017 174.589 174.600 0.010 0.000 1.225 262 S CA -0.090 58.116 58.200 0.009 0.000 0.986 262 S CB 2.350 65.554 63.200 0.006 0.000 1.008 262 S HN 1.016 nan 8.310 nan 0.000 0.565 263 V N 1.132 121.043 119.914 -0.005 0.000 2.483 263 V HA 0.496 4.617 4.120 0.002 0.000 0.297 263 V C 0.025 176.099 176.094 -0.032 0.000 1.027 263 V CA -0.756 61.536 62.300 -0.014 0.000 0.855 263 V CB 1.400 33.195 31.823 -0.046 0.000 0.995 263 V HN 0.916 nan 8.190 nan 0.000 0.424 264 R N 3.229 123.742 120.500 0.022 0.000 2.265 264 R HA 0.636 4.977 4.340 0.002 0.000 0.314 264 R C 0.752 177.030 176.300 -0.037 0.000 1.053 264 R CA 1.103 57.221 56.100 0.029 0.000 0.931 264 R CB 0.794 31.173 30.300 0.132 0.000 1.024 264 R HN 1.172 nan 8.270 nan 0.000 0.457 265 G N 3.060 111.751 108.800 -0.182 0.000 2.475 265 G HA2 -0.261 3.700 3.960 0.002 0.000 0.223 265 G HA3 -0.261 3.700 3.960 0.002 0.000 0.223 265 G C -1.251 173.247 174.900 -0.670 0.000 1.201 265 G CA -0.016 44.890 45.100 -0.324 0.000 0.962 265 G HN 0.659 nan 8.290 nan 0.000 0.586 266 D N 1.692 121.831 120.400 -0.435 0.000 2.359 266 D HA 0.578 5.218 4.640 0.002 0.000 0.230 266 D C -1.050 175.132 176.300 -0.197 0.000 1.118 266 D CA -2.053 51.708 54.000 -0.400 0.000 0.844 266 D CB 1.467 42.367 40.800 0.167 0.000 1.059 266 D HN 0.003 nan 8.370 nan 0.000 0.493 267 P HA -0.034 nan 4.420 nan 0.000 0.225 267 P C 0.855 178.158 177.300 0.005 0.000 1.148 267 P CA 0.626 63.680 63.100 -0.077 0.000 0.779 267 P CB 0.234 31.901 31.700 -0.056 0.000 0.780 268 A N -0.467 122.376 122.820 0.038 0.000 2.121 268 A HA -0.089 4.232 4.320 0.002 0.000 0.218 268 A C 1.468 179.105 177.584 0.088 0.000 1.154 268 A CA 1.191 53.285 52.037 0.095 0.000 0.679 268 A CB -0.746 18.335 19.000 0.136 0.000 0.795 268 A HN 0.140 nan 8.150 nan 0.000 0.458 269 N N -0.556 118.174 118.700 0.050 0.000 2.338 269 N HA 0.178 4.919 4.740 0.002 0.000 0.251 269 N C 0.885 176.388 175.510 -0.012 0.000 1.199 269 N CA 0.060 53.128 53.050 0.030 0.000 0.879 269 N CB 0.917 39.418 38.487 0.023 0.000 1.159 269 N HN 0.157 nan 8.380 nan 0.000 0.514 270 V N 0.738 120.653 119.914 0.002 0.000 2.307 270 V HA -0.179 3.942 4.120 0.002 0.000 0.245 270 V C 2.378 178.476 176.094 0.007 0.000 1.045 270 V CA 1.670 63.967 62.300 -0.005 0.000 1.024 270 V CB -0.144 31.688 31.823 0.016 0.000 0.651 270 V HN 0.372 nan 8.190 nan 0.000 0.449 271 E N -0.452 119.766 120.200 0.030 0.000 2.047 271 E HA -0.238 4.113 4.350 0.002 0.000 0.191 271 E C 2.166 178.720 176.600 -0.076 0.000 0.987 271 E CA 1.544 57.955 56.400 0.018 0.000 0.799 271 E CB -0.113 29.654 29.700 0.111 0.000 0.752 271 E HN 0.488 nan 8.360 nan 0.000 0.449 272 I N 0.853 121.379 120.570 -0.072 0.000 2.286 272 I HA -0.217 3.954 4.170 0.002 0.000 0.248 272 I C 2.039 178.095 176.117 -0.102 0.000 1.115 272 I CA 1.513 62.731 61.300 -0.138 0.000 1.392 272 I CB -0.347 37.614 38.000 -0.066 0.000 1.065 272 I HN 0.047 nan 8.210 nan 0.000 0.418 273 T N 0.538 115.056 114.554 -0.060 0.000 2.746 273 T HA -0.181 4.170 4.350 0.002 0.000 0.267 273 T C 1.716 176.463 174.700 0.079 0.000 1.039 273 T CA 1.796 63.891 62.100 -0.007 0.000 1.142 273 T CB -0.343 68.498 68.868 -0.044 0.000 0.866 273 T HN 0.499 nan 8.240 nan 0.000 0.444 274 E N 0.802 121.026 120.200 0.040 0.000 2.150 274 E HA -0.020 4.331 4.350 0.002 0.000 0.193 274 E C 2.227 178.850 176.600 0.039 0.000 0.985 274 E CA 0.701 57.134 56.400 0.056 0.000 0.814 274 E CB -0.285 29.434 29.700 0.031 0.000 0.752 274 E HN 0.441 nan 8.360 nan 0.000 0.466 275 L N 0.386 121.597 121.223 -0.019 0.000 2.072 275 L HA -0.180 4.161 4.340 0.002 0.000 0.205 275 L C 2.673 179.609 176.870 0.110 0.000 1.079 275 L CA 0.712 55.562 54.840 0.017 0.000 0.752 275 L CB -0.419 41.566 42.059 -0.124 0.000 0.906 275 L HN 0.262 nan 8.230 nan 0.000 0.436 276 C N 0.190 119.509 119.300 0.032 0.000 2.398 276 C HA -0.208 4.253 4.460 0.002 0.000 0.276 276 C C 2.726 177.851 174.990 0.225 0.000 1.222 276 C CA 0.773 59.819 59.018 0.047 0.000 1.746 276 C CB -0.761 26.909 27.740 -0.118 0.000 2.039 276 C HN 0.428 nan 8.230 nan 0.000 0.470 277 I N 0.023 120.750 120.570 0.262 0.000 2.252 277 I HA -0.247 3.924 4.170 0.002 0.000 0.245 277 I C 2.822 178.994 176.117 0.092 0.000 1.102 277 I CA 1.457 62.888 61.300 0.218 0.000 1.385 277 I CB -0.769 37.340 38.000 0.181 0.000 1.064 277 I HN 0.462 nan 8.210 nan 0.000 0.414 278 Q N 0.748 120.574 119.800 0.043 0.000 2.135 278 Q HA -0.246 4.095 4.340 0.002 0.000 0.204 278 Q C 1.232 177.117 176.000 -0.193 0.000 0.981 278 Q CA 1.760 57.513 55.803 -0.083 0.000 0.856 278 Q CB -0.056 28.608 28.738 -0.123 0.000 0.902 278 Q HN 0.614 nan 8.270 nan 0.000 0.425 279 H N -1.732 117.311 119.070 -0.044 0.000 2.567 279 H HA 0.242 4.799 4.556 0.002 0.000 0.294 279 H C 0.649 175.940 175.328 -0.062 0.000 1.050 279 H CA 0.633 56.628 56.048 -0.089 0.000 1.168 279 H CB 0.499 30.154 29.762 -0.178 0.000 1.422 279 H HN 0.498 nan 8.280 nan 0.000 0.562 280 G N -0.346 108.485 108.800 0.051 0.000 2.144 280 G HA2 -0.257 3.704 3.960 0.002 0.000 0.218 280 G HA3 -0.257 3.704 3.960 0.002 0.000 0.218 280 G C -0.158 174.804 174.900 0.104 0.000 0.988 280 G CA -0.226 44.896 45.100 0.037 0.000 0.659 280 G HN 0.385 nan 8.290 nan 0.000 0.522 281 W N 2.463 123.735 121.300 -0.047 0.000 2.266 281 W HA 0.626 5.287 4.660 0.001 0.000 0.317 281 W C 0.432 176.940 176.519 -0.018 0.000 1.310 281 W CA 0.173 57.496 57.345 -0.037 0.000 1.207 281 W CB 0.734 30.180 29.460 -0.022 0.000 1.199 281 W HN 0.071 nan 8.180 nan 0.000 0.544 282 T N 9.624 123.893 114.554 -0.475 0.000 2.727 282 T HA 0.196 4.547 4.350 0.002 0.000 0.295 282 T C -2.174 171.732 174.700 -1.323 0.000 0.915 282 T CA -0.841 60.889 62.100 -0.618 0.000 1.066 282 T CB 0.421 69.071 68.868 -0.362 0.000 0.891 282 T HN 0.206 nan 8.240 nan 0.000 0.516 283 P HA 0.376 nan 4.420 nan 0.000 0.281 283 P C 0.481 177.365 177.300 -0.693 0.000 1.249 283 P CA -0.401 61.917 63.100 -1.303 0.000 0.810 283 P CB 0.976 32.394 31.700 -0.469 0.000 1.008 284 G N 1.624 110.187 108.800 -0.395 0.000 2.494 284 G HA2 0.236 4.197 3.960 0.002 0.000 0.270 284 G HA3 0.236 4.197 3.960 0.002 0.000 0.270 284 G C 0.200 174.838 174.900 -0.438 0.000 1.423 284 G CA -0.469 44.510 45.100 -0.202 0.000 1.055 284 G HN 0.676 nan 8.290 nan 0.000 0.536 285 N N -1.437 117.106 118.700 -0.262 0.000 2.301 285 N HA 0.240 4.981 4.740 0.002 0.000 0.247 285 N C 0.406 175.896 175.510 -0.034 0.000 1.347 285 N CA 0.112 52.958 53.050 -0.340 0.000 0.844 285 N CB 0.404 38.730 38.487 -0.269 0.000 1.332 285 N HN 0.652 nan 8.380 nan 0.000 0.494 286 G N 0.086 108.969 108.800 0.139 0.000 2.537 286 G HA2 0.335 4.296 3.960 0.002 0.000 0.297 286 G HA3 0.335 4.296 3.960 0.002 0.000 0.297 286 G C 0.401 175.396 174.900 0.158 0.000 1.310 286 G CA -0.763 44.429 45.100 0.153 0.000 1.027 286 G HN 0.152 nan 8.290 nan 0.000 0.505 287 R N -1.327 119.176 120.500 0.005 0.000 2.300 287 R HA 0.172 4.513 4.340 0.002 0.000 0.199 287 R C -0.321 175.523 176.300 -0.760 0.000 0.920 287 R CA 0.418 56.331 56.100 -0.313 0.000 1.046 287 R CB 0.220 30.273 30.300 -0.411 0.000 0.984 287 R HN 0.367 nan 8.270 nan 0.000 0.493 288 F N 0.434 120.335 119.950 -0.082 0.000 2.556 288 F HA 0.234 4.762 4.527 0.002 0.000 0.384 288 F C -0.788 174.928 175.800 -0.140 0.000 1.493 288 F CA -1.188 56.495 58.000 -0.527 0.000 1.119 288 F CB 0.658 39.262 39.000 -0.659 0.000 1.280 288 F HN -0.268 nan 8.300 nan 0.000 0.525 289 D N 1.730 122.271 120.400 0.235 0.000 2.339 289 D HA 0.209 4.850 4.640 0.002 0.000 0.241 289 D C 0.237 176.780 176.300 0.406 0.000 1.183 289 D CA 0.127 54.343 54.000 0.360 0.000 0.859 289 D CB 2.092 43.169 40.800 0.463 0.000 1.067 289 D HN -0.084 nan 8.370 nan 0.000 0.484 290 V N 3.893 124.024 119.914 0.362 0.000 2.493 290 V HA -0.047 4.074 4.120 0.002 0.000 0.292 290 V C 1.103 177.213 176.094 0.027 0.000 1.016 290 V CA -0.147 62.258 62.300 0.175 0.000 1.097 290 V CB 0.076 31.955 31.823 0.093 0.000 0.947 290 V HN 0.363 nan 8.190 nan 0.000 0.479 291 L N 8.454 129.594 121.223 -0.138 0.000 2.439 291 L HA 0.301 4.641 4.340 0.002 0.000 0.269 291 L C -1.570 175.043 176.870 -0.428 0.000 1.179 291 L CA -1.309 53.292 54.840 -0.397 0.000 0.828 291 L CB 0.958 42.815 42.059 -0.337 0.000 1.106 291 L HN 0.498 nan 8.230 nan 0.000 0.467 292 P HA 0.173 nan 4.420 nan 0.000 0.276 292 P C -1.081 176.023 177.300 -0.326 0.000 1.252 292 P CA -0.429 62.381 63.100 -0.483 0.000 0.802 292 P CB 0.853 32.120 31.700 -0.722 0.000 1.035 293 L N 1.198 122.318 121.223 -0.173 0.000 2.312 293 L HA 0.376 4.717 4.340 0.002 0.000 0.281 293 L C 0.429 177.232 176.870 -0.112 0.000 1.070 293 L CA -0.785 54.002 54.840 -0.089 0.000 0.805 293 L CB 0.553 42.633 42.059 0.036 0.000 1.174 293 L HN 0.229 nan 8.230 nan 0.000 0.434 294 L N 5.069 126.206 121.223 -0.144 0.000 2.277 294 L HA 0.452 4.793 4.340 0.002 0.000 0.284 294 L C -0.527 176.202 176.870 -0.235 0.000 1.028 294 L CA -0.074 54.588 54.840 -0.298 0.000 0.835 294 L CB 0.944 42.713 42.059 -0.483 0.000 1.215 294 L HN 0.426 nan 8.230 nan 0.000 0.425 295 L N 3.998 125.137 121.223 -0.140 0.000 2.317 295 L HA 0.539 4.880 4.340 0.002 0.000 0.281 295 L C -0.316 176.476 176.870 -0.130 0.000 1.024 295 L CA -0.443 54.359 54.840 -0.062 0.000 0.810 295 L CB 1.838 43.911 42.059 0.024 0.000 1.240 295 L HN 0.561 nan 8.230 nan 0.000 0.427 296 Q N 2.447 122.203 119.800 -0.074 0.000 2.309 296 Q HA 0.626 4.967 4.340 0.002 0.000 0.270 296 Q C -1.085 174.857 176.000 -0.097 0.000 1.023 296 Q CA -0.561 55.200 55.803 -0.071 0.000 0.758 296 Q CB 2.178 30.957 28.738 0.068 0.000 1.247 296 Q HN 0.793 nan 8.270 nan 0.000 0.455 297 A N 4.915 127.625 122.820 -0.184 0.000 2.322 297 A HA 0.604 4.925 4.320 0.002 0.000 0.269 297 A C -2.377 174.957 177.584 -0.417 0.000 1.094 297 A CA -1.465 50.301 52.037 -0.451 0.000 0.807 297 A CB 0.076 18.915 19.000 -0.268 0.000 1.047 297 A HN 0.587 nan 8.150 nan 0.000 0.487 298 P HA 0.016 nan 4.420 nan 0.000 0.260 298 P C -0.547 176.660 177.300 -0.155 0.000 1.172 298 P CA 0.980 63.885 63.100 -0.324 0.000 0.760 298 P CB 0.124 31.634 31.700 -0.316 0.000 0.773 299 D N -0.001 120.354 120.400 -0.075 0.000 3.012 299 D HA -0.164 4.477 4.640 0.002 0.000 0.222 299 D C -0.002 176.287 176.300 -0.020 0.000 1.167 299 D CA 1.269 55.254 54.000 -0.025 0.000 0.854 299 D CB -0.601 40.185 40.800 -0.023 0.000 1.107 299 D HN 0.461 nan 8.370 nan 0.000 0.421 300 E N -0.446 119.733 120.200 -0.036 0.000 2.244 300 E HA 0.655 5.006 4.350 0.002 0.000 0.266 300 E C 0.184 176.771 176.600 -0.021 0.000 0.914 300 E CA -0.701 55.679 56.400 -0.034 0.000 0.794 300 E CB 1.604 31.267 29.700 -0.062 0.000 1.210 300 E HN 0.158 nan 8.360 nan 0.000 0.414 301 A N 3.544 126.350 122.820 -0.023 0.000 2.531 301 A HA 0.221 4.542 4.320 0.002 0.000 0.236 301 A C -1.942 175.526 177.584 -0.193 0.000 1.062 301 A CA -0.713 51.293 52.037 -0.051 0.000 0.760 301 A CB -0.624 18.369 19.000 -0.011 0.000 0.995 301 A HN 0.275 nan 8.150 nan 0.000 0.501 302 P HA 0.167 nan 4.420 nan 0.000 0.269 302 P C -0.526 176.460 177.300 -0.522 0.000 1.209 302 P CA 0.204 62.898 63.100 -0.676 0.000 0.776 302 P CB 0.692 31.459 31.700 -1.555 0.000 0.876 303 E N 0.705 120.682 120.200 -0.371 0.000 2.207 303 E HA 0.471 4.822 4.350 0.002 0.000 0.270 303 E C -0.820 175.477 176.600 -0.506 0.000 0.927 303 E CA -1.062 55.105 56.400 -0.388 0.000 0.799 303 E CB 1.586 31.117 29.700 -0.282 0.000 1.172 303 E HN 0.291 nan 8.360 nan 0.000 0.404 304 L N 2.936 123.754 121.223 -0.675 0.000 2.295 304 L HA 0.480 4.821 4.340 0.002 0.000 0.285 304 L C -1.652 174.664 176.870 -0.924 0.000 1.035 304 L CA -0.028 54.466 54.840 -0.577 0.000 0.806 304 L CB 0.299 42.147 42.059 -0.351 0.000 1.214 304 L HN 0.407 nan 8.230 nan 0.000 0.426 305 F N 4.226 123.931 119.950 -0.408 0.000 2.539 305 F HA 0.456 4.984 4.527 0.002 0.000 0.318 305 F C -0.304 175.239 175.800 -0.428 0.000 1.135 305 F CA -0.901 56.719 58.000 -0.634 0.000 0.915 305 F CB 1.844 40.090 39.000 -1.258 0.000 1.176 305 F HN 0.020 nan 8.300 nan 0.000 0.440 306 V N 4.825 124.655 119.914 -0.139 0.000 2.461 306 V HA 0.199 4.320 4.120 0.002 0.000 0.275 306 V C 0.295 176.487 176.094 0.162 0.000 1.047 306 V CA -0.630 61.673 62.300 0.006 0.000 0.955 306 V CB 1.065 32.935 31.823 0.079 0.000 0.988 306 V HN 0.541 nan 8.190 nan 0.000 0.471 307 L N 7.787 129.120 121.223 0.184 0.000 2.410 307 L HA 0.258 4.598 4.340 0.002 0.000 0.273 307 L C -2.053 174.921 176.870 0.174 0.000 1.144 307 L CA -1.472 53.516 54.840 0.245 0.000 0.863 307 L CB 0.554 42.689 42.059 0.126 0.000 1.140 307 L HN 0.456 nan 8.230 nan 0.000 0.463 308 P HA 0.097 nan 4.420 nan 0.000 0.267 308 P C -2.072 175.278 177.300 0.083 0.000 1.209 308 P CA -1.110 62.061 63.100 0.119 0.000 0.763 308 P CB 0.355 32.115 31.700 0.100 0.000 0.816 309 P HA -0.221 nan 4.420 nan 0.000 0.218 309 P C 1.343 178.676 177.300 0.054 0.000 1.146 309 P CA 1.276 64.419 63.100 0.073 0.000 0.813 309 P CB -0.168 31.579 31.700 0.079 0.000 0.778 310 E N -0.108 120.120 120.200 0.046 0.000 2.338 310 E HA -0.132 4.219 4.350 0.002 0.000 0.197 310 E C 1.737 178.351 176.600 0.024 0.000 1.007 310 E CA 0.925 57.344 56.400 0.031 0.000 0.849 310 E CB -1.043 28.672 29.700 0.026 0.000 0.774 310 E HN 0.317 nan 8.360 nan 0.000 0.506 311 L N 0.962 122.200 121.223 0.025 0.000 2.270 311 L HA 0.055 4.396 4.340 0.002 0.000 0.210 311 L C 0.797 177.680 176.870 0.022 0.000 1.104 311 L CA 0.226 55.075 54.840 0.014 0.000 0.804 311 L CB 0.397 42.456 42.059 0.000 0.000 0.937 311 L HN -0.075 nan 8.230 nan 0.000 0.450 312 V N 2.100 122.031 119.914 0.029 0.000 2.322 312 V HA 0.108 4.229 4.120 0.002 0.000 0.258 312 V C 0.099 176.223 176.094 0.050 0.000 1.074 312 V CA -0.486 61.832 62.300 0.030 0.000 0.909 312 V CB 0.930 32.764 31.823 0.019 0.000 1.090 312 V HN 0.051 nan 8.190 nan 0.000 0.486 313 L N 5.557 126.814 121.223 0.057 0.000 2.367 313 L HA 0.403 4.744 4.340 0.002 0.000 0.275 313 L C 0.225 177.135 176.870 0.066 0.000 1.129 313 L CA 0.858 55.725 54.840 0.045 0.000 0.839 313 L CB 0.406 42.483 42.059 0.031 0.000 1.133 313 L HN 0.644 nan 8.230 nan 0.000 0.453 314 E N 3.008 123.226 120.200 0.030 0.000 2.336 314 E HA 0.602 4.953 4.350 0.002 0.000 0.267 314 E C -1.512 175.043 176.600 -0.076 0.000 0.906 314 E CA -0.993 55.426 56.400 0.033 0.000 0.781 314 E CB 2.476 32.226 29.700 0.084 0.000 1.261 314 E HN 0.343 nan 8.360 nan 0.000 0.436 315 V N 2.879 122.722 119.914 -0.117 0.000 2.376 315 V HA 0.291 4.412 4.120 0.002 0.000 0.287 315 V C -2.439 173.610 176.094 -0.074 0.000 1.015 315 V CA -2.046 60.128 62.300 -0.210 0.000 0.834 315 V CB 1.284 32.741 31.823 -0.610 0.000 1.001 315 V HN 0.530 nan 8.190 nan 0.000 0.428 316 P HA 0.195 nan 4.420 nan 0.000 0.268 316 P C -0.600 176.728 177.300 0.048 0.000 1.204 316 P CA 0.066 63.154 63.100 -0.019 0.000 0.768 316 P CB 0.490 32.184 31.700 -0.011 0.000 0.842 317 L N 3.841 125.127 121.223 0.105 0.000 2.257 317 L HA 0.392 4.733 4.340 0.002 0.000 0.290 317 L C 1.093 178.149 176.870 0.311 0.000 1.044 317 L CA -0.197 54.779 54.840 0.226 0.000 0.810 317 L CB 0.389 42.648 42.059 0.333 0.000 1.193 317 L HN 0.491 nan 8.230 nan 0.000 0.425 318 E N 2.285 122.623 120.200 0.231 0.000 2.393 318 E HA 0.473 4.824 4.350 0.002 0.000 0.265 318 E C -1.201 175.408 176.600 0.015 0.000 0.941 318 E CA -0.939 55.595 56.400 0.224 0.000 0.801 318 E CB 2.284 32.085 29.700 0.168 0.000 1.313 318 E HN 0.442 nan 8.360 nan 0.000 0.435 319 H N 0.518 119.449 119.070 -0.231 0.000 2.524 319 H HA 0.230 4.787 4.556 0.002 0.000 0.353 319 H C -1.865 173.120 175.328 -0.570 0.000 1.136 319 H CA -2.326 53.416 56.048 -0.510 0.000 1.193 319 H CB 2.095 31.458 29.762 -0.666 0.000 1.558 319 H HN 0.397 nan 8.280 nan 0.000 0.515 320 P HA -0.157 nan 4.420 nan 0.000 0.216 320 P C 0.988 178.071 177.300 -0.362 0.000 1.153 320 P CA 2.206 64.733 63.100 -0.956 0.000 0.858 320 P CB 0.283 31.491 31.700 -0.820 0.000 0.789 321 T N -4.860 109.630 114.554 -0.106 0.000 2.954 321 T HA 0.230 4.581 4.350 0.002 0.000 0.252 321 T C 0.835 175.500 174.700 -0.057 0.000 0.983 321 T CA -0.209 61.874 62.100 -0.028 0.000 0.941 321 T CB -0.470 68.396 68.868 -0.003 0.000 1.141 321 T HN -0.058 nan 8.240 nan 0.000 0.500 322 L N 3.413 124.588 121.223 -0.080 0.000 2.315 322 L HA 0.396 4.737 4.340 0.002 0.000 0.278 322 L C 1.396 177.927 176.870 -0.565 0.000 1.088 322 L CA -0.680 53.801 54.840 -0.599 0.000 0.899 322 L CB 0.923 42.220 42.059 -1.271 0.000 1.277 322 L HN 0.262 nan 8.230 nan 0.000 0.431 323 E N 2.928 122.931 120.200 -0.328 0.000 2.118 323 E HA -0.251 4.100 4.350 0.002 0.000 0.195 323 E C 1.734 178.314 176.600 -0.033 0.000 0.992 323 E CA 1.469 57.798 56.400 -0.117 0.000 0.804 323 E CB -0.246 29.451 29.700 -0.006 0.000 0.741 323 E HN 0.748 nan 8.360 nan 0.000 0.458 324 W N 0.049 121.398 121.300 0.082 0.000 2.425 324 W HA -0.012 4.649 4.660 0.002 0.000 0.277 324 W C 1.459 178.038 176.519 0.099 0.000 1.231 324 W CA 0.119 57.505 57.345 0.068 0.000 1.248 324 W CB -1.036 28.444 29.460 0.033 0.000 1.117 324 W HN -0.006 nan 8.180 nan 0.000 0.568 325 F N 3.098 122.937 119.950 -0.186 0.000 2.120 325 F HA -0.195 4.332 4.527 0.001 0.000 0.300 325 F C 2.693 178.553 175.800 0.100 0.000 1.095 325 F CA 3.102 61.080 58.000 -0.036 0.000 1.249 325 F CB -0.655 38.160 39.000 -0.309 0.000 0.995 325 F HN -0.076 nan 8.300 nan 0.000 0.480 326 A N -0.109 122.874 122.820 0.273 0.000 2.070 326 A HA -0.048 4.273 4.320 0.002 0.000 0.220 326 A C 2.300 179.952 177.584 0.113 0.000 1.159 326 A CA 1.446 53.598 52.037 0.191 0.000 0.656 326 A CB -1.382 17.706 19.000 0.146 0.000 0.800 326 A HN 0.469 nan 8.150 nan 0.000 0.453 327 A N -0.182 122.714 122.820 0.128 0.000 2.067 327 A HA 0.060 4.381 4.320 0.002 0.000 0.219 327 A C 1.915 179.535 177.584 0.060 0.000 1.158 327 A CA 1.093 53.190 52.037 0.100 0.000 0.661 327 A CB -0.545 18.533 19.000 0.131 0.000 0.801 327 A HN 0.493 nan 8.150 nan 0.000 0.452 328 L N -0.845 120.388 121.223 0.017 0.000 2.450 328 L HA -0.047 4.294 4.340 0.002 0.000 0.224 328 L C 1.836 178.714 176.870 0.013 0.000 1.149 328 L CA 0.633 55.450 54.840 -0.037 0.000 0.816 328 L CB -0.773 41.156 42.059 -0.217 0.000 0.932 328 L HN 0.577 nan 8.230 nan 0.000 0.449 329 G N 0.112 108.925 108.800 0.022 0.000 2.203 329 G HA2 -0.274 3.687 3.960 0.002 0.000 0.263 329 G HA3 -0.274 3.687 3.960 0.002 0.000 0.263 329 G C 0.029 174.910 174.900 -0.032 0.000 1.012 329 G CA -0.150 44.969 45.100 0.030 0.000 0.749 329 G HN 0.108 nan 8.290 nan 0.000 0.512 330 L N 0.391 121.577 121.223 -0.061 0.000 2.417 330 L HA 0.722 5.063 4.340 0.002 0.000 0.268 330 L C 1.091 177.766 176.870 -0.324 0.000 1.158 330 L CA -0.147 54.585 54.840 -0.180 0.000 0.819 330 L CB 0.848 42.907 42.059 0.000 0.000 1.112 330 L HN 0.631 nan 8.230 nan 0.000 0.458 331 R N 1.884 121.973 120.500 -0.685 0.000 2.734 331 R HA 0.557 4.898 4.340 0.002 0.000 0.271 331 R C -1.741 174.546 176.300 -0.021 0.000 1.021 331 R CA -0.932 54.957 56.100 -0.352 0.000 0.893 331 R CB 1.861 31.907 30.300 -0.423 0.000 1.244 331 R HN 0.588 nan 8.270 nan 0.000 0.464 332 W N 1.577 122.863 121.300 -0.023 0.000 3.118 332 W HA 0.363 5.024 4.660 0.002 0.000 0.328 332 W C -1.221 175.396 176.519 0.164 0.000 1.239 332 W CA -1.006 56.415 57.345 0.127 0.000 1.176 332 W CB 2.102 31.551 29.460 -0.018 0.000 1.433 332 W HN 0.690 nan 8.180 nan 0.000 0.562 333 Y N 0.933 121.175 120.300 -0.096 0.000 2.307 333 Y HA 0.574 5.125 4.550 0.002 0.000 0.324 333 Y C 0.758 176.895 175.900 0.394 0.000 1.238 333 Y CA -0.016 58.098 58.100 0.023 0.000 1.280 333 Y CB 0.339 38.665 38.460 -0.223 0.000 1.248 333 Y HN 0.355 nan 8.280 nan 0.000 0.508 334 A N 2.246 125.335 122.820 0.448 0.000 1.970 334 A HA 0.042 4.363 4.320 0.002 0.000 0.216 334 A C 0.547 178.486 177.584 0.590 0.000 1.170 334 A CA 0.551 52.878 52.037 0.484 0.000 0.645 334 A CB -0.317 18.813 19.000 0.215 0.000 0.816 334 A HN 0.660 nan 8.150 nan 0.000 0.447 335 L N 1.978 123.512 121.223 0.519 0.000 2.264 335 L HA 0.421 4.762 4.340 0.002 0.000 0.287 335 L C -2.608 174.424 176.870 0.270 0.000 1.039 335 L CA -2.427 52.604 54.840 0.318 0.000 0.829 335 L CB 1.481 43.662 42.059 0.203 0.000 1.211 335 L HN -0.024 nan 8.230 nan 0.000 0.427 336 P HA 0.342 nan 4.420 nan 0.000 0.291 336 P C -1.382 175.838 177.300 -0.133 0.000 1.340 336 P CA -0.337 62.636 63.100 -0.211 0.000 0.799 336 P CB 1.348 32.529 31.700 -0.865 0.000 0.917 337 A N 4.515 127.268 122.820 -0.112 0.000 2.545 337 A HA 0.419 4.739 4.320 0.002 0.000 0.300 337 A C -0.318 177.058 177.584 -0.347 0.000 1.252 337 A CA -0.644 51.261 52.037 -0.221 0.000 0.753 337 A CB 0.720 19.619 19.000 -0.169 0.000 1.144 337 A HN 0.299 nan 8.150 nan 0.000 0.457 338 V N 2.711 122.243 119.914 -0.635 0.000 2.555 338 V HA 0.312 4.433 4.120 0.002 0.000 0.286 338 V C 1.240 176.924 176.094 -0.684 0.000 1.044 338 V CA 1.108 62.995 62.300 -0.689 0.000 1.026 338 V CB 1.289 32.553 31.823 -0.931 0.000 0.981 338 V HN 1.106 nan 8.190 nan 0.000 0.480 339 S N 1.699 117.209 115.700 -0.317 0.000 2.733 339 S HA 0.054 4.525 4.470 0.002 0.000 0.247 339 S C 0.746 175.335 174.600 -0.020 0.000 1.043 339 S CA 0.112 58.216 58.200 -0.159 0.000 1.066 339 S CB -0.335 62.804 63.200 -0.102 0.000 1.045 339 S HN 0.907 nan 8.310 nan 0.000 0.586 340 N N 0.390 119.087 118.700 -0.004 0.000 2.200 340 N HA 0.322 5.063 4.740 0.002 0.000 0.224 340 N C 0.113 175.687 175.510 0.107 0.000 1.179 340 N CA -0.516 52.579 53.050 0.075 0.000 0.877 340 N CB 0.177 38.719 38.487 0.091 0.000 1.072 340 N HN 0.258 nan 8.380 nan 0.000 0.519 341 M N 1.230 120.902 119.600 0.121 0.000 2.368 341 M HA 0.336 4.817 4.480 0.002 0.000 0.311 341 M C -0.591 175.852 176.300 0.239 0.000 1.168 341 M CA -0.859 54.547 55.300 0.177 0.000 1.044 341 M CB 2.263 34.987 32.600 0.208 0.000 1.506 341 M HN 0.117 nan 8.290 nan 0.000 0.475 342 L N 2.464 123.809 121.223 0.204 0.000 2.309 342 L HA 0.540 4.881 4.340 0.002 0.000 0.282 342 L C -1.356 175.620 176.870 0.176 0.000 1.036 342 L CA -0.914 54.032 54.840 0.177 0.000 0.806 342 L CB 1.233 43.348 42.059 0.094 0.000 1.220 342 L HN 0.594 nan 8.230 nan 0.000 0.429 343 L N 5.169 126.487 121.223 0.159 0.000 2.265 343 L HA 0.450 4.791 4.340 0.002 0.000 0.289 343 L C -0.511 176.360 176.870 0.002 0.000 1.033 343 L CA 0.205 55.010 54.840 -0.059 0.000 0.814 343 L CB 1.088 43.089 42.059 -0.096 0.000 1.203 343 L HN 0.627 nan 8.230 nan 0.000 0.423 344 E N 6.685 126.802 120.200 -0.139 0.000 2.113 344 E HA 0.370 4.721 4.350 0.002 0.000 0.273 344 E C -1.528 174.975 176.600 -0.161 0.000 0.924 344 E CA -0.364 55.980 56.400 -0.094 0.000 0.764 344 E CB 0.917 30.562 29.700 -0.092 0.000 1.104 344 E HN 0.740 nan 8.360 nan 0.000 0.406 345 I N 2.719 123.208 120.570 -0.135 0.000 2.468 345 I HA 0.270 4.441 4.170 0.002 0.000 0.285 345 I C 0.829 176.709 176.117 -0.395 0.000 1.039 345 I CA -0.633 60.451 61.300 -0.359 0.000 1.074 345 I CB 1.997 39.727 38.000 -0.451 0.000 1.228 345 I HN 0.768 nan 8.210 nan 0.000 0.436 346 G N 4.201 112.773 108.800 -0.381 0.000 2.283 346 G HA2 -0.135 3.826 3.960 0.002 0.000 0.280 346 G HA3 -0.135 3.826 3.960 0.002 0.000 0.280 346 G C 1.021 175.980 174.900 0.097 0.000 1.029 346 G CA 0.717 45.789 45.100 -0.047 0.000 0.840 346 G HN 1.565 nan 8.290 nan 0.000 0.505 347 G N -2.109 106.697 108.800 0.010 0.000 2.199 347 G HA2 -0.239 3.722 3.960 0.002 0.000 0.254 347 G HA3 -0.239 3.722 3.960 0.002 0.000 0.254 347 G C 0.482 175.347 174.900 -0.058 0.000 0.982 347 G CA 0.592 45.702 45.100 0.016 0.000 0.632 347 G HN 1.324 nan 8.290 nan 0.000 0.529 348 L N 0.566 121.705 121.223 -0.141 0.000 2.375 348 L HA 0.616 4.957 4.340 0.002 0.000 0.271 348 L C 0.326 176.995 176.870 -0.334 0.000 1.107 348 L CA -0.543 54.101 54.840 -0.326 0.000 0.806 348 L CB 1.124 42.882 42.059 -0.501 0.000 1.146 348 L HN 0.166 nan 8.230 nan 0.000 0.447 349 E N 2.380 122.298 120.200 -0.470 0.000 2.191 349 E HA 0.391 4.742 4.350 0.002 0.000 0.263 349 E C -1.563 174.750 176.600 -0.477 0.000 0.881 349 E CA -0.446 55.768 56.400 -0.310 0.000 0.757 349 E CB 1.797 31.400 29.700 -0.163 0.000 1.147 349 E HN 0.252 nan 8.360 nan 0.000 0.414 350 F N 1.764 121.681 119.950 -0.056 0.000 2.308 350 F HA 0.120 4.648 4.527 0.002 0.000 0.370 350 F C 1.403 177.238 175.800 0.058 0.000 1.100 350 F CA -0.549 57.447 58.000 -0.008 0.000 1.108 350 F CB 1.352 40.329 39.000 -0.038 0.000 1.293 350 F HN 0.415 nan 8.300 nan 0.000 0.478 351 S N 1.238 117.051 115.700 0.187 0.000 2.496 351 S HA 0.367 4.838 4.470 0.002 0.000 0.224 351 S C 0.738 175.472 174.600 0.223 0.000 0.996 351 S CA 0.191 58.494 58.200 0.172 0.000 0.927 351 S CB 0.160 63.438 63.200 0.130 0.000 0.774 351 S HN 0.502 nan 8.310 nan 0.000 0.524 352 A N 0.735 123.731 122.820 0.294 0.000 2.340 352 A HA 0.843 5.164 4.320 0.002 0.000 0.297 352 A C -0.176 177.662 177.584 0.424 0.000 1.195 352 A CA -0.264 51.977 52.037 0.340 0.000 0.769 352 A CB 0.961 20.145 19.000 0.306 0.000 1.163 352 A HN 0.925 nan 8.150 nan 0.000 0.472 353 A N 4.257 127.279 122.820 0.337 0.000 3.399 353 A HA 0.627 4.948 4.320 0.002 0.000 0.262 353 A C -3.087 174.672 177.584 0.292 0.000 1.145 353 A CA -0.909 51.294 52.037 0.278 0.000 0.916 353 A CB 0.425 19.586 19.000 0.268 0.000 1.360 353 A HN 0.505 nan 8.150 nan 0.000 0.628 354 P HA 0.523 nan 4.420 nan 0.000 0.271 354 P C -0.813 176.523 177.300 0.059 0.000 1.216 354 P CA 0.245 63.322 63.100 -0.039 0.000 0.776 354 P CB 0.436 32.060 31.700 -0.127 0.000 0.881 355 F N -0.665 119.249 119.950 -0.060 0.000 2.588 355 F HA 0.755 5.283 4.527 0.001 0.000 0.310 355 F C -0.711 175.027 175.800 -0.103 0.000 1.082 355 F CA -1.140 56.832 58.000 -0.047 0.000 0.929 355 F CB 1.551 40.413 39.000 -0.230 0.000 1.254 355 F HN 0.376 nan 8.300 nan 0.000 0.455 356 S N 0.459 116.259 115.700 0.168 0.000 2.564 356 S HA 0.970 5.440 4.470 0.002 0.000 0.274 356 S C -0.657 173.912 174.600 -0.052 0.000 1.124 356 S CA -0.214 58.012 58.200 0.043 0.000 0.869 356 S CB 1.576 64.868 63.200 0.153 0.000 1.105 356 S HN 1.416 nan 8.310 nan 0.000 0.472 357 G N -0.079 108.644 108.800 -0.130 0.000 3.377 357 G HA2 0.732 4.693 3.960 0.002 0.000 0.182 357 G HA3 0.732 4.693 3.960 0.002 0.000 0.182 357 G C -1.464 173.455 174.900 0.031 0.000 1.166 357 G CA -0.469 44.502 45.100 -0.215 0.000 0.771 357 G HN 1.031 nan 8.290 nan 0.000 0.701 358 W N -1.531 119.782 121.300 0.022 0.000 2.975 358 W HA 0.813 5.474 4.660 0.002 0.000 0.342 358 W C -1.589 174.937 176.519 0.012 0.000 1.168 358 W CA -2.096 55.276 57.345 0.045 0.000 1.141 358 W CB 0.494 30.027 29.460 0.121 0.000 1.445 358 W HN 0.376 nan 8.180 nan 0.000 0.560 359 Y N 2.589 123.090 120.300 0.335 0.000 2.397 359 Y HA 0.227 4.778 4.550 0.002 0.000 0.335 359 Y C 0.921 176.899 175.900 0.129 0.000 1.213 359 Y CA -0.536 57.642 58.100 0.130 0.000 1.391 359 Y CB 1.039 39.489 38.460 -0.017 0.000 1.293 359 Y HN 0.426 nan 8.280 nan 0.000 0.557 360 M N 2.169 121.924 119.600 0.257 0.000 2.233 360 M HA 0.174 4.655 4.480 0.002 0.000 0.355 360 M C 1.071 177.383 176.300 0.019 0.000 1.191 360 M CA -0.184 55.202 55.300 0.142 0.000 1.101 360 M CB 1.069 33.728 32.600 0.099 0.000 1.592 360 M HN 0.841 nan 8.290 nan 0.000 0.461 361 S N 1.067 116.737 115.700 -0.049 0.000 2.400 361 S HA -0.176 4.295 4.470 0.002 0.000 0.232 361 S C 1.525 175.991 174.600 -0.224 0.000 1.025 361 S CA 1.968 60.055 58.200 -0.189 0.000 0.993 361 S CB -1.310 61.813 63.200 -0.128 0.000 0.808 361 S HN 0.932 nan 8.310 nan 0.000 0.478 362 T N 0.491 114.941 114.554 -0.172 0.000 2.867 362 T HA -0.042 4.309 4.350 0.002 0.000 0.268 362 T C 1.569 176.124 174.700 -0.241 0.000 1.057 362 T CA 1.197 63.149 62.100 -0.246 0.000 1.136 362 T CB -0.600 68.077 68.868 -0.317 0.000 0.874 362 T HN 0.571 nan 8.240 nan 0.000 0.466 363 E N 1.081 121.168 120.200 -0.190 0.000 2.070 363 E HA -0.102 4.249 4.350 0.002 0.000 0.197 363 E C 2.091 178.454 176.600 -0.396 0.000 1.004 363 E CA 1.646 57.941 56.400 -0.175 0.000 0.805 363 E CB -0.378 29.348 29.700 0.044 0.000 0.744 363 E HN 0.607 nan 8.360 nan 0.000 0.451 364 I N 0.085 120.282 120.570 -0.621 0.000 2.296 364 I HA -0.054 4.117 4.170 0.002 0.000 0.242 364 I C 2.609 178.376 176.117 -0.584 0.000 1.087 364 I CA 0.936 61.680 61.300 -0.927 0.000 1.393 364 I CB -0.526 36.787 38.000 -1.146 0.000 1.093 364 I HN 0.108 nan 8.210 nan 0.000 0.421 365 G N 0.248 108.808 108.800 -0.400 0.000 2.408 365 G HA2 -0.156 3.805 3.960 0.002 0.000 0.217 365 G HA3 -0.156 3.805 3.960 0.002 0.000 0.217 365 G C 1.624 176.413 174.900 -0.184 0.000 1.150 365 G CA 1.475 46.433 45.100 -0.237 0.000 0.776 365 G HN 0.291 nan 8.290 nan 0.000 0.542 366 T N -0.053 114.372 114.554 -0.215 0.000 2.990 366 T HA 0.103 4.454 4.350 0.002 0.000 0.237 366 T C 2.531 177.131 174.700 -0.167 0.000 1.009 366 T CA 0.239 62.234 62.100 -0.175 0.000 1.195 366 T CB 0.064 68.811 68.868 -0.202 0.000 0.885 366 T HN 0.003 nan 8.240 nan 0.000 0.424 367 R N 1.997 122.381 120.500 -0.195 0.000 2.055 367 R HA 0.136 4.477 4.340 0.002 0.000 0.228 367 R C 2.162 178.361 176.300 -0.169 0.000 1.143 367 R CA 1.083 57.083 56.100 -0.167 0.000 0.945 367 R CB -1.148 29.062 30.300 -0.150 0.000 0.841 367 R HN 0.326 nan 8.270 nan 0.000 0.429 368 N N 0.942 119.491 118.700 -0.252 0.000 2.120 368 N HA -0.083 4.658 4.740 0.002 0.000 0.188 368 N C 1.981 177.427 175.510 -0.107 0.000 1.024 368 N CA 1.115 54.014 53.050 -0.252 0.000 0.852 368 N CB -0.196 37.831 38.487 -0.767 0.000 1.003 368 N HN 0.188 nan 8.380 nan 0.000 0.424 369 L N -0.887 120.231 121.223 -0.175 0.000 2.354 369 L HA 0.103 4.444 4.340 0.002 0.000 0.212 369 L C 1.632 178.531 176.870 0.048 0.000 1.091 369 L CA 0.327 55.155 54.840 -0.020 0.000 0.828 369 L CB 0.193 42.215 42.059 -0.062 0.000 0.973 369 L HN 0.138 nan 8.230 nan 0.000 0.461 370 C N -1.474 117.816 119.300 -0.016 0.000 2.791 370 C HA 0.137 4.598 4.460 0.002 0.000 0.288 370 C C 0.774 175.755 174.990 -0.014 0.000 1.271 370 C CA -0.875 58.144 59.018 0.002 0.000 1.726 370 C CB -0.322 27.405 27.740 -0.022 0.000 2.145 370 C HN 0.317 nan 8.230 nan 0.000 0.572 371 D N 2.344 122.706 120.400 -0.063 0.000 2.506 371 D HA 0.031 4.672 4.640 0.002 0.000 0.234 371 D C -1.458 174.816 176.300 -0.044 0.000 1.143 371 D CA -0.816 53.125 54.000 -0.098 0.000 0.871 371 D CB 0.510 41.123 40.800 -0.311 0.000 1.190 371 D HN 0.186 nan 8.370 nan 0.000 0.459 372 P HA -0.089 nan 4.420 nan 0.000 0.222 372 P C 0.648 178.026 177.300 0.131 0.000 1.153 372 P CA 1.025 64.191 63.100 0.111 0.000 0.798 372 P CB 0.012 31.793 31.700 0.136 0.000 0.796 373 H N -2.221 116.863 119.070 0.023 0.000 2.538 373 H HA 0.347 4.904 4.556 0.002 0.000 0.286 373 H C 0.796 176.138 175.328 0.023 0.000 1.035 373 H CA -0.139 55.920 56.048 0.019 0.000 1.169 373 H CB -0.062 29.710 29.762 0.017 0.000 1.417 373 H HN -0.030 nan 8.280 nan 0.000 0.567 374 R N -0.159 120.230 120.500 -0.185 0.000 3.006 374 R HA 0.176 4.517 4.340 0.002 0.000 0.150 374 R C 1.073 177.355 176.300 -0.029 0.000 1.285 374 R CA -0.720 55.324 56.100 -0.093 0.000 0.813 374 R CB -0.801 29.465 30.300 -0.057 0.000 1.582 374 R HN 0.098 nan 8.270 nan 0.000 0.441 375 Y N 1.612 121.926 120.300 0.023 0.000 2.421 375 Y HA -0.026 4.525 4.550 0.002 0.000 0.292 375 Y C 0.790 176.715 175.900 0.041 0.000 1.136 375 Y CA 1.236 59.366 58.100 0.051 0.000 1.255 375 Y CB -0.173 38.354 38.460 0.113 0.000 0.991 375 Y HN 0.547 nan 8.280 nan 0.000 0.552 376 N N 0.826 119.619 118.700 0.155 0.000 2.714 376 N HA -0.222 4.519 4.740 0.002 0.000 0.253 376 N C 0.422 176.011 175.510 0.130 0.000 1.024 376 N CA 0.462 53.577 53.050 0.109 0.000 0.726 376 N CB -1.085 37.449 38.487 0.078 0.000 0.908 376 N HN 0.618 nan 8.380 nan 0.000 0.542 377 I N -3.445 117.213 120.570 0.146 0.000 3.793 377 I HA 0.036 4.207 4.170 0.002 0.000 0.315 377 I C 1.915 178.121 176.117 0.149 0.000 1.275 377 I CA -0.381 61.004 61.300 0.141 0.000 1.214 377 I CB -0.019 38.066 38.000 0.142 0.000 1.018 377 I HN 0.074 nan 8.210 nan 0.000 0.439 378 L N 1.814 123.139 121.223 0.171 0.000 2.021 378 L HA -0.253 4.088 4.340 0.002 0.000 0.215 378 L C 2.602 179.679 176.870 0.344 0.000 1.074 378 L CA 2.187 57.169 54.840 0.236 0.000 0.760 378 L CB -0.947 41.234 42.059 0.203 0.000 0.889 378 L HN 0.541 nan 8.230 nan 0.000 0.433 379 E N -1.210 119.177 120.200 0.311 0.000 2.047 379 E HA -0.217 4.134 4.350 0.002 0.000 0.191 379 E C 1.767 178.382 176.600 0.024 0.000 0.987 379 E CA 1.158 57.657 56.400 0.165 0.000 0.799 379 E CB 0.034 29.778 29.700 0.074 0.000 0.752 379 E HN 0.467 nan 8.360 nan 0.000 0.449 380 D N 0.214 120.636 120.400 0.037 0.000 2.106 380 D HA -0.181 4.460 4.640 0.002 0.000 0.191 380 D C 2.063 178.344 176.300 -0.031 0.000 0.997 380 D CA 1.430 55.420 54.000 -0.015 0.000 0.834 380 D CB -0.373 40.431 40.800 0.007 0.000 0.956 380 D HN 0.115 nan 8.370 nan 0.000 0.448 381 V N 1.263 121.214 119.914 0.061 0.000 2.343 381 V HA -0.234 3.887 4.120 0.002 0.000 0.247 381 V C 2.495 178.657 176.094 0.114 0.000 1.051 381 V CA 1.827 64.209 62.300 0.136 0.000 1.036 381 V CB -0.800 31.184 31.823 0.268 0.000 0.654 381 V HN 0.205 nan 8.190 nan 0.000 0.451 382 A N -0.436 122.463 122.820 0.131 0.000 1.930 382 A HA -0.128 4.193 4.320 0.002 0.000 0.217 382 A C 2.376 179.922 177.584 -0.064 0.000 1.175 382 A CA 1.851 53.957 52.037 0.116 0.000 0.627 382 A CB -0.562 18.580 19.000 0.236 0.000 0.815 382 A HN 0.337 nan 8.150 nan 0.000 0.443 383 V N -0.838 118.987 119.914 -0.148 0.000 2.427 383 V HA -0.285 3.836 4.120 0.002 0.000 0.248 383 V C 2.591 178.519 176.094 -0.276 0.000 1.051 383 V CA 1.915 64.090 62.300 -0.208 0.000 1.048 383 V CB -0.944 30.758 31.823 -0.203 0.000 0.666 383 V HN 0.716 nan 8.190 nan 0.000 0.456 384 C N -0.331 118.732 119.300 -0.396 0.000 2.411 384 C HA -0.169 4.292 4.460 0.002 0.000 0.279 384 C C 2.610 177.161 174.990 -0.732 0.000 1.288 384 C CA 1.025 59.544 59.018 -0.831 0.000 1.764 384 C CB -1.039 25.815 27.740 -1.477 0.000 1.974 384 C HN 0.522 nan 8.230 nan 0.000 0.498 385 M N 0.095 119.538 119.600 -0.263 0.000 2.618 385 M HA 0.024 4.504 4.480 0.002 0.000 0.240 385 M C 0.605 176.902 176.300 -0.005 0.000 1.123 385 M CA 0.830 56.163 55.300 0.055 0.000 1.060 385 M CB -0.498 32.225 32.600 0.206 0.000 1.535 385 M HN 0.282 nan 8.290 nan 0.000 0.507 386 D N 1.407 121.744 120.400 -0.105 0.000 2.708 386 D HA -0.165 4.476 4.640 0.002 0.000 0.236 386 D C -0.822 175.451 176.300 -0.045 0.000 1.146 386 D CA 0.452 54.400 54.000 -0.087 0.000 0.662 386 D CB -0.842 39.917 40.800 -0.069 0.000 1.059 386 D HN 0.325 nan 8.370 nan 0.000 0.428 387 L N -0.094 121.108 121.223 -0.035 0.000 2.439 387 L HA 0.317 4.658 4.340 0.002 0.000 0.261 387 L C 0.948 177.771 176.870 -0.079 0.000 1.153 387 L CA -0.654 54.188 54.840 0.003 0.000 0.808 387 L CB 0.522 42.642 42.059 0.103 0.000 1.126 387 L HN 0.073 nan 8.230 nan 0.000 0.460 388 D N 0.260 120.636 120.400 -0.038 0.000 2.352 388 D HA 0.038 4.679 4.640 0.002 0.000 0.245 388 D C 0.564 176.737 176.300 -0.211 0.000 1.224 388 D CA 0.047 53.994 54.000 -0.088 0.000 0.879 388 D CB 1.165 41.958 40.800 -0.011 0.000 1.057 388 D HN 0.418 nan 8.370 nan 0.000 0.491 389 T N 3.559 117.844 114.554 -0.447 0.000 3.129 389 T HA 0.045 4.396 4.350 0.002 0.000 0.251 389 T C 1.675 176.127 174.700 -0.415 0.000 1.117 389 T CA 0.183 61.722 62.100 -0.936 0.000 1.034 389 T CB 0.102 68.388 68.868 -0.970 0.000 0.968 389 T HN 0.376 nan 8.240 nan 0.000 0.526 390 R N 0.815 121.216 120.500 -0.165 0.000 2.235 390 R HA 0.080 4.421 4.340 0.002 0.000 0.213 390 R C 0.947 177.283 176.300 0.060 0.000 1.059 390 R CA 0.634 56.707 56.100 -0.044 0.000 0.997 390 R CB 0.158 30.437 30.300 -0.034 0.000 0.884 390 R HN 0.142 nan 8.270 nan 0.000 0.462 391 T N -1.477 113.164 114.554 0.146 0.000 2.956 391 T HA 0.101 4.452 4.350 0.002 0.000 0.312 391 T C 1.040 175.918 174.700 0.297 0.000 1.151 391 T CA -0.544 61.666 62.100 0.184 0.000 1.024 391 T CB 1.821 70.754 68.868 0.110 0.000 1.140 391 T HN 0.166 nan 8.240 nan 0.000 0.473 392 T N 0.912 115.582 114.554 0.193 0.000 2.821 392 T HA -0.095 4.256 4.350 0.002 0.000 0.267 392 T C 2.143 176.877 174.700 0.057 0.000 1.046 392 T CA 1.796 63.954 62.100 0.098 0.000 1.139 392 T CB -0.763 68.124 68.868 0.032 0.000 0.871 392 T HN 0.771 nan 8.240 nan 0.000 0.454 393 S N 2.119 117.863 115.700 0.073 0.000 2.507 393 S HA -0.050 4.421 4.470 0.002 0.000 0.235 393 S C 2.128 176.768 174.600 0.068 0.000 0.988 393 S CA 0.820 59.050 58.200 0.051 0.000 0.944 393 S CB -0.877 62.348 63.200 0.043 0.000 0.762 393 S HN 0.755 nan 8.310 nan 0.000 0.526 394 S N 1.740 117.513 115.700 0.121 0.000 2.561 394 S HA 0.181 4.652 4.470 0.002 0.000 0.225 394 S C 0.970 175.642 174.600 0.121 0.000 0.977 394 S CA 0.309 58.589 58.200 0.134 0.000 0.926 394 S CB -1.056 62.256 63.200 0.186 0.000 0.769 394 S HN 0.677 nan 8.310 nan 0.000 0.533 395 L N 0.654 121.912 121.223 0.057 0.000 3.717 395 L HA -0.182 4.159 4.340 0.002 0.000 0.414 395 L C 1.658 178.524 176.870 -0.007 0.000 1.228 395 L CA 0.667 55.483 54.840 -0.040 0.000 0.918 395 L CB -2.580 39.469 42.059 -0.017 0.000 1.865 395 L HN 0.730 nan 8.230 nan 0.000 0.922 396 W N 0.061 121.373 121.300 0.020 0.000 2.342 396 W HA -0.173 4.488 4.660 0.001 0.000 0.297 396 W C 1.737 178.274 176.519 0.030 0.000 1.213 396 W CA 1.410 58.770 57.345 0.025 0.000 1.251 396 W CB -0.708 28.763 29.460 0.019 0.000 1.136 396 W HN 0.296 nan 8.180 nan 0.000 0.526 397 K N 1.079 121.064 120.400 -0.693 0.000 2.026 397 K HA -0.167 4.154 4.320 0.002 0.000 0.208 397 K C 1.560 178.029 176.600 -0.218 0.000 1.048 397 K CA 2.400 58.316 56.287 -0.618 0.000 0.929 397 K CB -0.405 31.564 32.500 -0.885 0.000 0.713 397 K HN 0.049 nan 8.250 nan 0.000 0.439 398 D N 0.594 120.883 120.400 -0.184 0.000 2.117 398 D HA -0.125 4.516 4.640 0.002 0.000 0.197 398 D C 1.704 177.996 176.300 -0.013 0.000 0.987 398 D CA 1.198 55.146 54.000 -0.087 0.000 0.829 398 D CB 0.069 40.826 40.800 -0.072 0.000 0.961 398 D HN 0.118 nan 8.370 nan 0.000 0.460 399 K N 0.439 120.855 120.400 0.026 0.000 2.001 399 K HA -0.016 4.305 4.320 0.002 0.000 0.208 399 K C 2.242 178.907 176.600 0.108 0.000 1.048 399 K CA 1.124 57.458 56.287 0.079 0.000 0.932 399 K CB -0.183 32.385 32.500 0.113 0.000 0.715 399 K HN 0.083 nan 8.250 nan 0.000 0.437 400 A N 1.532 124.441 122.820 0.148 0.000 1.933 400 A HA -0.121 4.200 4.320 0.002 0.000 0.218 400 A C 2.359 180.026 177.584 0.138 0.000 1.175 400 A CA 1.833 53.982 52.037 0.187 0.000 0.628 400 A CB -0.662 18.494 19.000 0.261 0.000 0.814 400 A HN 0.351 nan 8.150 nan 0.000 0.444 401 A N -0.436 122.427 122.820 0.070 0.000 1.883 401 A HA -0.051 4.270 4.320 0.002 0.000 0.217 401 A C 2.235 179.836 177.584 0.027 0.000 1.186 401 A CA 1.888 53.942 52.037 0.029 0.000 0.624 401 A CB -1.050 17.931 19.000 -0.032 0.000 0.822 401 A HN 0.409 nan 8.150 nan 0.000 0.444 402 V N 0.282 120.218 119.914 0.036 0.000 2.287 402 V HA -0.255 3.866 4.120 0.002 0.000 0.248 402 V C 2.624 178.756 176.094 0.062 0.000 1.053 402 V CA 2.307 64.635 62.300 0.047 0.000 1.027 402 V CB -0.767 31.090 31.823 0.057 0.000 0.646 402 V HN 0.512 nan 8.190 nan 0.000 0.447 403 E N -0.130 120.127 120.200 0.094 0.000 2.110 403 E HA -0.150 4.201 4.350 0.002 0.000 0.193 403 E C 2.062 178.700 176.600 0.064 0.000 0.988 403 E CA 1.290 57.763 56.400 0.122 0.000 0.804 403 E CB -0.382 29.369 29.700 0.085 0.000 0.745 403 E HN 0.623 nan 8.360 nan 0.000 0.458 404 I N 1.090 121.721 120.570 0.101 0.000 2.252 404 I HA -0.274 3.897 4.170 0.002 0.000 0.245 404 I C 1.752 177.864 176.117 -0.009 0.000 1.102 404 I CA 1.048 62.415 61.300 0.111 0.000 1.385 404 I CB -0.299 37.823 38.000 0.202 0.000 1.064 404 I HN 0.037 nan 8.210 nan 0.000 0.414 405 N N 0.562 119.250 118.700 -0.021 0.000 2.166 405 N HA -0.177 4.564 4.740 0.002 0.000 0.186 405 N C 1.680 177.156 175.510 -0.057 0.000 1.019 405 N CA 0.920 53.937 53.050 -0.056 0.000 0.856 405 N CB -0.223 38.238 38.487 -0.044 0.000 0.993 405 N HN 0.159 nan 8.380 nan 0.000 0.426 406 L N 0.794 121.985 121.223 -0.054 0.000 2.017 406 L HA -0.015 4.326 4.340 0.002 0.000 0.208 406 L C 2.029 178.782 176.870 -0.195 0.000 1.073 406 L CA 1.505 56.279 54.840 -0.110 0.000 0.745 406 L CB -0.979 41.003 42.059 -0.129 0.000 0.894 406 L HN 0.163 nan 8.230 nan 0.000 0.432 407 A N -1.106 121.549 122.820 -0.275 0.000 1.917 407 A HA -0.211 4.110 4.320 0.002 0.000 0.219 407 A C 2.287 179.811 177.584 -0.099 0.000 1.182 407 A CA 2.301 54.129 52.037 -0.348 0.000 0.633 407 A CB -1.220 17.288 19.000 -0.820 0.000 0.819 407 A HN 0.329 nan 8.150 nan 0.000 0.448 408 V N -0.207 119.665 119.914 -0.069 0.000 2.295 408 V HA -0.255 3.866 4.120 0.002 0.000 0.246 408 V C 2.575 178.667 176.094 -0.003 0.000 1.049 408 V CA 1.976 64.261 62.300 -0.023 0.000 1.024 408 V CB -0.733 30.986 31.823 -0.173 0.000 0.648 408 V HN 0.573 nan 8.190 nan 0.000 0.447 409 L N -0.607 120.590 121.223 -0.044 0.000 2.017 409 L HA -0.240 4.101 4.340 0.002 0.000 0.208 409 L C 2.619 179.520 176.870 0.051 0.000 1.073 409 L CA 2.260 57.094 54.840 -0.011 0.000 0.745 409 L CB -0.771 41.280 42.059 -0.014 0.000 0.894 409 L HN 0.474 nan 8.230 nan 0.000 0.432 410 H N -0.403 118.625 119.070 -0.070 0.000 2.319 410 H HA -0.162 4.395 4.556 0.002 0.000 0.299 410 H C 2.327 177.648 175.328 -0.013 0.000 1.092 410 H CA 2.109 58.109 56.048 -0.080 0.000 1.302 410 H CB 0.046 29.693 29.762 -0.191 0.000 1.373 410 H HN 0.194 nan 8.280 nan 0.000 0.497 411 S N -0.372 115.342 115.700 0.024 0.000 2.368 411 S HA -0.095 4.376 4.470 0.002 0.000 0.224 411 S C 1.923 176.536 174.600 0.021 0.000 1.029 411 S CA 1.075 59.275 58.200 0.000 0.000 0.988 411 S CB -0.435 62.839 63.200 0.124 0.000 0.838 411 S HN 0.298 nan 8.310 nan 0.000 0.462 412 F N 2.118 122.026 119.950 -0.069 0.000 2.102 412 F HA -0.105 4.423 4.527 0.002 0.000 0.298 412 F C 2.690 178.445 175.800 -0.075 0.000 1.105 412 F CA 1.148 59.124 58.000 -0.039 0.000 1.239 412 F CB -0.762 38.238 39.000 0.000 0.000 0.991 412 F HN 0.197 nan 8.300 nan 0.000 0.474 413 Q N -0.611 119.234 119.800 0.076 0.000 2.124 413 Q HA -0.212 4.129 4.340 0.002 0.000 0.202 413 Q C 2.200 178.139 176.000 -0.101 0.000 0.977 413 Q CA 1.370 57.158 55.803 -0.025 0.000 0.850 413 Q CB -0.435 28.277 28.738 -0.044 0.000 0.901 413 Q HN 0.324 nan 8.270 nan 0.000 0.429 414 L N 0.072 121.181 121.223 -0.189 0.000 2.056 414 L HA -0.060 4.281 4.340 0.002 0.000 0.207 414 L C 1.891 178.681 176.870 -0.132 0.000 1.078 414 L CA 1.753 56.468 54.840 -0.207 0.000 0.749 414 L CB -0.455 41.405 42.059 -0.330 0.000 0.901 414 L HN 0.112 nan 8.230 nan 0.000 0.433 415 A N -1.617 121.126 122.820 -0.128 0.000 2.238 415 A HA 0.037 4.357 4.320 0.002 0.000 0.208 415 A C 0.634 178.158 177.584 -0.101 0.000 1.177 415 A CA 0.009 51.973 52.037 -0.121 0.000 0.804 415 A CB -0.315 18.583 19.000 -0.171 0.000 0.823 415 A HN 0.350 nan 8.150 nan 0.000 0.482 416 K N -1.007 119.345 120.400 -0.079 0.000 3.162 416 K HA -0.121 4.200 4.320 0.002 0.000 0.268 416 K C -0.705 175.865 176.600 -0.050 0.000 1.062 416 K CA 0.762 57.014 56.287 -0.059 0.000 0.769 416 K CB -2.612 29.853 32.500 -0.058 0.000 1.274 416 K HN 0.298 nan 8.250 nan 0.000 0.478 417 V N 0.923 120.820 119.914 -0.028 0.000 2.495 417 V HA 0.225 4.346 4.120 0.002 0.000 0.298 417 V C 0.758 176.933 176.094 0.135 0.000 1.031 417 V CA -0.778 61.533 62.300 0.018 0.000 0.871 417 V CB 2.121 33.883 31.823 -0.101 0.000 0.988 417 V HN 0.300 nan 8.190 nan 0.000 0.432 418 T N 5.996 120.592 114.554 0.070 0.000 2.908 418 T HA 0.426 4.777 4.350 0.002 0.000 0.301 418 T C -0.282 174.496 174.700 0.129 0.000 1.019 418 T CA 0.858 62.923 62.100 -0.059 0.000 1.152 418 T CB 0.101 68.770 68.868 -0.332 0.000 0.966 418 T HN 0.553 nan 8.240 nan 0.000 0.540 419 I N 2.602 123.188 120.570 0.026 0.000 2.908 419 I HA 0.630 4.801 4.170 0.002 0.000 0.300 419 I C -1.573 174.592 176.117 0.081 0.000 1.385 419 I CA -0.844 60.522 61.300 0.110 0.000 1.004 419 I CB 1.984 39.984 38.000 -0.001 0.000 1.309 419 I HN 0.446 nan 8.210 nan 0.000 0.449 420 V N 5.201 125.225 119.914 0.184 0.000 2.656 420 V HA 0.539 4.660 4.120 0.002 0.000 0.307 420 V C -1.179 174.981 176.094 0.110 0.000 1.051 420 V CA -0.272 62.129 62.300 0.169 0.000 0.893 420 V CB 2.160 34.173 31.823 0.318 0.000 0.999 420 V HN 0.900 nan 8.190 nan 0.000 0.426 421 D N 3.730 124.172 120.400 0.069 0.000 2.383 421 D HA 0.200 4.841 4.640 0.002 0.000 0.248 421 D C 1.201 177.515 176.300 0.023 0.000 1.170 421 D CA 0.095 54.124 54.000 0.048 0.000 0.977 421 D CB 0.474 41.272 40.800 -0.003 0.000 1.120 421 D HN 0.723 nan 8.370 nan 0.000 0.481 422 H N -0.513 118.489 119.070 -0.114 0.000 2.495 422 H HA -0.092 4.465 4.556 0.002 0.000 0.287 422 H C 0.958 176.174 175.328 -0.188 0.000 1.033 422 H CA 1.118 57.062 56.048 -0.174 0.000 1.307 422 H CB -0.516 29.092 29.762 -0.257 0.000 1.401 422 H HN 0.505 nan 8.280 nan 0.000 0.555 423 H N 1.258 120.134 119.070 -0.323 0.000 2.307 423 H HA 0.140 4.697 4.556 0.001 0.000 0.303 423 H C 2.509 177.815 175.328 -0.037 0.000 1.073 423 H CA 1.331 57.280 56.048 -0.165 0.000 1.338 423 H CB -0.314 29.321 29.762 -0.212 0.000 1.389 423 H HN 0.494 nan 8.280 nan 0.000 0.503 424 A N 1.441 124.313 122.820 0.087 0.000 1.902 424 A HA -0.083 4.238 4.320 0.002 0.000 0.217 424 A C 2.686 180.341 177.584 0.118 0.000 1.181 424 A CA 1.798 53.892 52.037 0.095 0.000 0.623 424 A CB -0.804 18.245 19.000 0.082 0.000 0.818 424 A HN 0.434 nan 8.150 nan 0.000 0.443 425 A N -0.289 122.601 122.820 0.117 0.000 1.898 425 A HA -0.081 4.240 4.320 0.002 0.000 0.216 425 A C 2.430 180.111 177.584 0.163 0.000 1.181 425 A CA 2.463 54.588 52.037 0.147 0.000 0.620 425 A CB -1.337 17.741 19.000 0.130 0.000 0.819 425 A HN 0.735 nan 8.150 nan 0.000 0.442 426 T N -2.732 111.900 114.554 0.130 0.000 2.904 426 T HA -0.054 4.297 4.350 0.002 0.000 0.267 426 T C 1.687 176.514 174.700 0.212 0.000 1.059 426 T CA 1.261 63.460 62.100 0.165 0.000 1.137 426 T CB -0.648 68.280 68.868 0.099 0.000 0.879 426 T HN 0.041 nan 8.240 nan 0.000 0.467 427 V N 2.828 122.841 119.914 0.166 0.000 2.343 427 V HA -0.178 3.943 4.120 0.002 0.000 0.247 427 V C 3.219 179.402 176.094 0.149 0.000 1.051 427 V CA 2.160 64.548 62.300 0.147 0.000 1.036 427 V CB -0.950 30.941 31.823 0.113 0.000 0.654 427 V HN 0.796 nan 8.190 nan 0.000 0.451 428 S N -0.430 115.367 115.700 0.162 0.000 2.402 428 S HA -0.203 4.268 4.470 0.002 0.000 0.229 428 S C 1.972 176.688 174.600 0.193 0.000 1.021 428 S CA 1.424 59.718 58.200 0.157 0.000 0.974 428 S CB -0.704 62.593 63.200 0.161 0.000 0.800 428 S HN 0.505 nan 8.310 nan 0.000 0.484 429 F N 2.405 122.415 119.950 0.100 0.000 2.134 429 F HA 0.033 4.561 4.527 0.002 0.000 0.299 429 F C 2.323 178.209 175.800 0.143 0.000 1.097 429 F CA 1.425 59.496 58.000 0.118 0.000 1.264 429 F CB -0.340 38.709 39.000 0.082 0.000 1.001 429 F HN 0.095 nan 8.300 nan 0.000 0.479 430 M N 0.215 119.909 119.600 0.156 0.000 2.144 430 M HA -0.232 4.249 4.480 0.002 0.000 0.260 430 M C 2.167 178.452 176.300 -0.026 0.000 1.067 430 M CA 1.689 57.023 55.300 0.056 0.000 1.095 430 M CB -1.314 31.357 32.600 0.119 0.000 1.365 430 M HN 0.113 nan 8.290 nan 0.000 0.406 431 K N -0.362 120.046 120.400 0.013 0.000 2.057 431 K HA -0.180 4.141 4.320 0.002 0.000 0.206 431 K C 1.954 178.536 176.600 -0.029 0.000 1.050 431 K CA 1.655 57.945 56.287 0.006 0.000 0.935 431 K CB -0.592 31.934 32.500 0.043 0.000 0.715 431 K HN 0.388 nan 8.250 nan 0.000 0.439 432 H N 0.131 119.110 119.070 -0.152 0.000 2.352 432 H HA -0.019 4.538 4.556 0.002 0.000 0.299 432 H C 1.686 176.854 175.328 -0.267 0.000 1.097 432 H CA 2.192 58.121 56.048 -0.198 0.000 1.311 432 H CB -0.175 29.429 29.762 -0.264 0.000 1.377 432 H HN 0.174 nan 8.280 nan 0.000 0.504 433 L N -0.256 120.699 121.223 -0.447 0.000 2.042 433 L HA -0.187 4.154 4.340 0.002 0.000 0.210 433 L C 2.285 179.009 176.870 -0.244 0.000 1.076 433 L CA 1.920 56.527 54.840 -0.387 0.000 0.749 433 L CB -0.443 41.452 42.059 -0.272 0.000 0.893 433 L HN 0.408 nan 8.230 nan 0.000 0.432 434 D N -0.310 119.990 120.400 -0.166 0.000 2.117 434 D HA -0.176 4.465 4.640 0.002 0.000 0.198 434 D C 1.915 178.148 176.300 -0.112 0.000 0.982 434 D CA 1.022 54.959 54.000 -0.105 0.000 0.828 434 D CB 0.106 40.870 40.800 -0.060 0.000 0.967 434 D HN 0.127 nan 8.370 nan 0.000 0.464 435 N N 0.485 119.107 118.700 -0.131 0.000 2.104 435 N HA -0.135 4.606 4.740 0.002 0.000 0.190 435 N C 1.547 176.974 175.510 -0.138 0.000 1.024 435 N CA 0.882 53.871 53.050 -0.103 0.000 0.853 435 N CB -0.213 38.235 38.487 -0.064 0.000 1.008 435 N HN 0.324 nan 8.380 nan 0.000 0.424 436 E N 0.366 120.403 120.200 -0.271 0.000 2.216 436 E HA -0.112 4.239 4.350 0.002 0.000 0.192 436 E C 1.835 178.344 176.600 -0.151 0.000 0.988 436 E CA 0.387 56.630 56.400 -0.261 0.000 0.834 436 E CB -0.062 29.373 29.700 -0.440 0.000 0.772 436 E HN 0.321 nan 8.360 nan 0.000 0.479 437 Q N 1.637 121.358 119.800 -0.132 0.000 2.030 437 Q HA -0.139 4.202 4.340 0.002 0.000 0.204 437 Q C 1.846 177.809 176.000 -0.060 0.000 0.986 437 Q CA 1.817 57.572 55.803 -0.079 0.000 0.843 437 Q CB -0.017 28.681 28.738 -0.067 0.000 0.904 437 Q HN 0.091 nan 8.270 nan 0.000 0.420 438 K N -0.654 119.711 120.400 -0.058 0.000 2.057 438 K HA -0.058 4.263 4.320 0.002 0.000 0.207 438 K C 2.014 178.593 176.600 -0.035 0.000 1.049 438 K CA 1.240 57.502 56.287 -0.041 0.000 0.931 438 K CB -0.272 32.207 32.500 -0.034 0.000 0.714 438 K HN 0.269 nan 8.250 nan 0.000 0.440 439 A N 0.869 123.667 122.820 -0.036 0.000 1.897 439 A HA -0.059 4.262 4.320 0.002 0.000 0.215 439 A C 1.869 179.437 177.584 -0.026 0.000 1.181 439 A CA 1.235 53.261 52.037 -0.018 0.000 0.620 439 A CB -0.000 19.003 19.000 0.006 0.000 0.821 439 A HN 0.139 nan 8.150 nan 0.000 0.443 440 R N -3.040 117.434 120.500 -0.044 0.000 2.517 440 R HA 0.234 4.575 4.340 0.002 0.000 0.265 440 R C 0.861 177.140 176.300 -0.036 0.000 0.921 440 R CA 0.638 56.715 56.100 -0.038 0.000 1.054 440 R CB 0.829 31.098 30.300 -0.052 0.000 1.340 440 R HN 0.728 nan 8.270 nan 0.000 0.551 441 G N 0.845 109.619 108.800 -0.044 0.000 2.136 441 G HA2 -0.180 3.780 3.960 0.002 0.000 0.242 441 G HA3 -0.180 3.780 3.960 0.002 0.000 0.242 441 G C 0.203 175.093 174.900 -0.017 0.000 0.989 441 G CA 0.098 45.170 45.100 -0.046 0.000 0.682 441 G HN 0.729 nan 8.290 nan 0.000 0.522 442 G N -2.361 106.435 108.800 -0.007 0.000 2.341 442 G HA2 0.536 4.497 3.960 0.002 0.000 0.293 442 G HA3 0.536 4.497 3.960 0.002 0.000 0.293 442 G C -0.854 174.061 174.900 0.024 0.000 1.298 442 G CA 0.431 45.554 45.100 0.039 0.000 0.868 442 G HN 1.940 nan 8.290 nan 0.000 0.540 443 C N 1.879 121.220 119.300 0.068 0.000 2.817 443 C HA 0.713 5.174 4.460 0.002 0.000 0.385 443 C C -2.571 172.410 174.990 -0.015 0.000 1.050 443 C CA -1.092 57.922 59.018 -0.006 0.000 1.245 443 C CB 1.303 28.982 27.740 -0.102 0.000 1.706 443 C HN 0.713 nan 8.230 nan 0.000 0.488 444 P HA 0.428 nan 4.420 nan 0.000 0.271 444 P C -0.686 176.509 177.300 -0.174 0.000 1.226 444 P CA 0.527 63.267 63.100 -0.601 0.000 0.765 444 P CB 1.128 32.215 31.700 -1.021 0.000 0.835 445 A N 2.664 125.454 122.820 -0.051 0.000 2.520 445 A HA 0.455 4.776 4.320 0.002 0.000 0.298 445 A C -1.200 176.445 177.584 0.102 0.000 1.051 445 A CA -0.540 51.560 52.037 0.106 0.000 0.690 445 A CB 1.405 20.583 19.000 0.297 0.000 1.281 445 A HN 0.446 nan 8.150 nan 0.000 0.402 446 D N 1.765 122.219 120.400 0.090 0.000 2.454 446 D HA 0.156 4.797 4.640 0.002 0.000 0.225 446 D C 0.726 177.167 176.300 0.236 0.000 1.081 446 D CA -0.521 53.563 54.000 0.140 0.000 0.864 446 D CB 0.464 41.287 40.800 0.038 0.000 1.040 446 D HN 0.603 nan 8.370 nan 0.000 0.517 447 W N 4.256 125.605 121.300 0.082 0.000 2.321 447 W HA -0.256 4.405 4.660 0.002 0.000 0.306 447 W C 1.804 178.357 176.519 0.057 0.000 1.217 447 W CA 2.132 59.507 57.345 0.050 0.000 1.257 447 W CB 0.133 29.600 29.460 0.011 0.000 1.145 447 W HN 0.549 nan 8.180 nan 0.000 0.509 448 A N -1.507 121.590 122.820 0.461 0.000 2.121 448 A HA -0.119 4.202 4.320 0.002 0.000 0.218 448 A C 1.321 178.929 177.584 0.041 0.000 1.154 448 A CA 1.321 53.533 52.037 0.291 0.000 0.679 448 A CB -1.078 18.129 19.000 0.345 0.000 0.795 448 A HN 0.528 nan 8.150 nan 0.000 0.458 449 W N -1.095 120.169 121.300 -0.060 0.000 2.762 449 W HA 0.224 4.885 4.660 0.002 0.000 0.265 449 W C 1.749 178.151 176.519 -0.194 0.000 1.263 449 W CA -0.195 57.095 57.345 -0.092 0.000 1.411 449 W CB -0.017 29.419 29.460 -0.040 0.000 1.065 449 W HN 0.112 nan 8.180 nan 0.000 0.609 450 I N -0.078 120.445 120.570 -0.078 0.000 2.353 450 I HA -0.063 4.107 4.170 0.002 0.000 0.248 450 I C 0.686 176.591 176.117 -0.354 0.000 1.119 450 I CA 0.770 61.887 61.300 -0.304 0.000 1.417 450 I CB -1.444 36.293 38.000 -0.438 0.000 1.078 450 I HN -0.411 nan 8.210 nan 0.000 0.421 451 V N 4.093 123.712 119.914 -0.491 0.000 2.521 451 V HA 0.078 4.199 4.120 0.002 0.000 0.286 451 V C -1.852 174.061 176.094 -0.301 0.000 1.034 451 V CA -1.023 60.980 62.300 -0.495 0.000 1.045 451 V CB 0.180 31.459 31.823 -0.907 0.000 0.974 451 V HN 0.127 nan 8.190 nan 0.000 0.480 452 P HA 0.161 nan 4.420 nan 0.000 0.271 452 P C -1.998 175.178 177.300 -0.206 0.000 1.233 452 P CA -1.174 61.807 63.100 -0.197 0.000 0.789 452 P CB 0.069 31.666 31.700 -0.172 0.000 0.951 453 P HA 0.120 nan 4.420 nan 0.000 0.255 453 P C -0.004 177.188 177.300 -0.181 0.000 1.248 453 P CA 0.614 63.599 63.100 -0.193 0.000 0.807 453 P CB 0.129 31.710 31.700 -0.199 0.000 1.150 454 I N -5.833 114.596 120.570 -0.235 0.000 2.785 454 I HA 0.502 4.673 4.170 0.002 0.000 0.302 454 I C -0.078 175.949 176.117 -0.149 0.000 1.069 454 I CA -1.210 59.977 61.300 -0.188 0.000 1.045 454 I CB 1.943 39.813 38.000 -0.216 0.000 1.236 454 I HN -0.392 nan 8.210 nan 0.000 0.429 455 S N 2.270 117.932 115.700 -0.063 0.000 3.581 455 S HA -0.182 4.289 4.470 0.002 0.000 0.354 455 S C 1.328 175.920 174.600 -0.013 0.000 1.059 455 S CA 0.736 58.937 58.200 0.001 0.000 1.060 455 S CB -1.653 61.620 63.200 0.121 0.000 0.908 455 S HN 1.246 nan 8.310 nan 0.000 0.475 456 G N 2.249 111.021 108.800 -0.047 0.000 2.553 456 G HA2 -0.290 3.671 3.960 0.002 0.000 0.218 456 G HA3 -0.290 3.671 3.960 0.002 0.000 0.218 456 G C 1.483 176.325 174.900 -0.097 0.000 1.195 456 G CA 1.484 46.582 45.100 -0.004 0.000 0.779 456 G HN 1.243 nan 8.290 nan 0.000 0.577 457 S N -0.104 115.287 115.700 -0.516 0.000 2.515 457 S HA 0.110 4.581 4.470 0.002 0.000 0.231 457 S C 2.008 176.522 174.600 -0.143 0.000 0.987 457 S CA 0.541 58.203 58.200 -0.896 0.000 0.936 457 S CB -0.068 62.326 63.200 -1.343 0.000 0.766 457 S HN 0.041 nan 8.310 nan 0.000 0.528 458 L N 2.677 123.882 121.223 -0.030 0.000 2.551 458 L HA 0.213 4.554 4.340 0.002 0.000 0.228 458 L C 1.337 178.326 176.870 0.199 0.000 1.153 458 L CA 0.755 55.663 54.840 0.113 0.000 0.851 458 L CB -1.372 40.782 42.059 0.159 0.000 0.959 458 L HN 0.628 nan 8.230 nan 0.000 0.451 459 T N -4.553 110.103 114.554 0.171 0.000 2.895 459 T HA 0.396 4.747 4.350 0.002 0.000 0.283 459 T C -1.780 173.074 174.700 0.256 0.000 1.014 459 T CA -1.917 60.302 62.100 0.198 0.000 1.037 459 T CB 2.070 71.006 68.868 0.113 0.000 1.006 459 T HN -0.163 nan 8.240 nan 0.000 0.468 460 P HA -0.045 nan 4.420 nan 0.000 0.223 460 P C 1.826 179.322 177.300 0.326 0.000 1.151 460 P CA 0.764 64.065 63.100 0.334 0.000 0.787 460 P CB -0.359 31.482 31.700 0.235 0.000 0.788 461 V N -3.659 116.389 119.914 0.224 0.000 2.594 461 V HA -0.204 3.917 4.120 0.002 0.000 0.253 461 V C 2.310 178.478 176.094 0.123 0.000 1.069 461 V CA 1.219 63.617 62.300 0.162 0.000 1.082 461 V CB -2.236 29.609 31.823 0.037 0.000 0.680 461 V HN -0.118 nan 8.190 nan 0.000 0.469 462 F N 1.901 121.802 119.950 -0.081 0.000 2.161 462 F HA -0.182 4.346 4.527 0.001 0.000 0.300 462 F C 2.441 178.342 175.800 0.169 0.000 1.089 462 F CA 2.309 60.275 58.000 -0.056 0.000 1.282 462 F CB -0.276 38.549 39.000 -0.291 0.000 1.010 462 F HN 0.298 nan 8.300 nan 0.000 0.485 463 H N -1.146 118.281 119.070 0.594 0.000 2.539 463 H HA 0.122 4.679 4.556 0.001 0.000 0.269 463 H C 0.260 175.857 175.328 0.448 0.000 0.980 463 H CA 0.182 56.539 56.048 0.514 0.000 1.152 463 H CB -0.153 29.872 29.762 0.438 0.000 1.407 463 H HN 0.239 nan 8.280 nan 0.000 0.564 464 Q N 1.962 122.053 119.800 0.485 0.000 2.340 464 Q HA 0.164 4.505 4.340 0.002 0.000 0.259 464 Q C -0.554 175.698 176.000 0.420 0.000 0.964 464 Q CA -0.395 55.646 55.803 0.396 0.000 0.900 464 Q CB 0.791 29.724 28.738 0.324 0.000 1.228 464 Q HN 0.232 nan 8.270 nan 0.000 0.449 465 E N 3.288 123.685 120.200 0.328 0.000 2.398 465 E HA 0.282 4.633 4.350 0.002 0.000 0.263 465 E C -0.515 176.232 176.600 0.245 0.000 1.046 465 E CA 0.322 56.870 56.400 0.247 0.000 0.908 465 E CB 0.774 30.597 29.700 0.204 0.000 0.963 465 E HN 0.593 nan 8.360 nan 0.000 0.431 466 M N 1.485 121.227 119.600 0.237 0.000 2.433 466 M HA 0.338 4.819 4.480 0.002 0.000 0.290 466 M C -1.282 175.137 176.300 0.198 0.000 1.173 466 M CA -0.942 54.504 55.300 0.243 0.000 0.905 466 M CB 2.325 35.120 32.600 0.326 0.000 1.692 466 M HN 0.145 nan 8.290 nan 0.000 0.462 467 V N 1.986 122.026 119.914 0.209 0.000 2.435 467 V HA 0.500 4.621 4.120 0.002 0.000 0.290 467 V C -0.576 175.653 176.094 0.225 0.000 1.030 467 V CA -0.666 61.790 62.300 0.259 0.000 0.881 467 V CB 1.672 33.710 31.823 0.359 0.000 0.983 467 V HN 0.815 nan 8.190 nan 0.000 0.445 468 N N 3.648 122.478 118.700 0.217 0.000 2.342 468 N HA 0.689 5.430 4.740 0.002 0.000 0.293 468 N C -1.239 174.375 175.510 0.174 0.000 1.026 468 N CA -0.440 52.645 53.050 0.059 0.000 0.857 468 N CB 1.533 40.060 38.487 0.066 0.000 1.256 468 N HN 0.678 nan 8.380 nan 0.000 0.484 469 Y N 0.085 120.411 120.300 0.044 0.000 2.741 469 Y HA 0.508 5.059 4.550 0.001 0.000 0.339 469 Y C -1.403 174.509 175.900 0.020 0.000 1.226 469 Y CA -1.226 56.894 58.100 0.032 0.000 1.072 469 Y CB 0.665 39.148 38.460 0.038 0.000 1.331 469 Y HN 0.213 nan 8.280 nan 0.000 0.453 470 I N 3.420 124.111 120.570 0.202 0.000 2.312 470 I HA 0.418 4.589 4.170 0.002 0.000 0.290 470 I C -0.672 175.526 176.117 0.136 0.000 1.008 470 I CA -0.433 60.922 61.300 0.091 0.000 1.226 470 I CB 0.955 38.988 38.000 0.055 0.000 1.371 470 I HN 0.412 nan 8.210 nan 0.000 0.468 471 L N 4.737 126.009 121.223 0.083 0.000 2.334 471 L HA 0.572 4.913 4.340 0.002 0.000 0.270 471 L C 0.173 177.054 176.870 0.018 0.000 1.018 471 L CA -0.556 54.332 54.840 0.080 0.000 0.811 471 L CB 1.860 43.968 42.059 0.081 0.000 1.271 471 L HN 0.507 nan 8.230 nan 0.000 0.443 472 S N 1.036 116.753 115.700 0.028 0.000 2.503 472 S HA 0.601 5.072 4.470 0.002 0.000 0.301 472 S C -2.545 172.073 174.600 0.030 0.000 1.087 472 S CA -1.472 56.730 58.200 0.004 0.000 1.042 472 S CB 1.675 64.890 63.200 0.025 0.000 1.043 472 S HN 0.240 nan 8.310 nan 0.000 0.489 473 P HA 0.351 nan 4.420 nan 0.000 0.267 473 P C -1.332 175.851 177.300 -0.195 0.000 1.200 473 P CA -0.017 62.997 63.100 -0.143 0.000 0.772 473 P CB 0.544 32.123 31.700 -0.202 0.000 0.855 474 A N 2.157 124.823 122.820 -0.256 0.000 2.556 474 A HA 0.716 5.037 4.320 0.002 0.000 0.294 474 A C -1.369 175.981 177.584 -0.390 0.000 1.091 474 A CA -0.503 51.390 52.037 -0.241 0.000 0.704 474 A CB 0.834 19.767 19.000 -0.112 0.000 1.300 474 A HN 0.309 nan 8.150 nan 0.000 0.406 475 F N 0.925 120.789 119.950 -0.143 0.000 2.385 475 F HA 0.671 5.199 4.527 0.002 0.000 0.336 475 F C 1.084 176.777 175.800 -0.179 0.000 1.100 475 F CA 0.276 58.183 58.000 -0.156 0.000 1.116 475 F CB 1.511 40.377 39.000 -0.223 0.000 1.166 475 F HN 0.510 nan 8.300 nan 0.000 0.511 476 R N 1.306 121.822 120.500 0.027 0.000 2.771 476 R HA 0.385 4.726 4.340 0.002 0.000 0.274 476 R C -1.569 174.658 176.300 -0.121 0.000 0.987 476 R CA -1.248 54.803 56.100 -0.081 0.000 0.908 476 R CB 1.852 32.147 30.300 -0.009 0.000 1.213 476 R HN 0.418 nan 8.270 nan 0.000 0.468 477 Y N 1.795 122.123 120.300 0.047 0.000 2.480 477 Y HA 0.047 4.598 4.550 0.002 0.000 0.338 477 Y C 0.781 176.685 175.900 0.008 0.000 1.220 477 Y CA 0.265 58.381 58.100 0.026 0.000 1.430 477 Y CB 0.618 39.079 38.460 0.001 0.000 1.311 477 Y HN 0.408 nan 8.280 nan 0.000 0.575 478 Q N 2.847 122.750 119.800 0.172 0.000 2.456 478 Q HA 0.635 4.976 4.340 0.002 0.000 0.283 478 Q C -2.969 173.019 176.000 -0.019 0.000 1.084 478 Q CA -2.423 53.414 55.803 0.057 0.000 0.801 478 Q CB 1.899 30.661 28.738 0.040 0.000 1.434 478 Q HN 0.325 nan 8.270 nan 0.000 0.419 479 P HA 0.063 nan 4.420 nan 0.000 0.269 479 P C -0.783 176.336 177.300 -0.302 0.000 1.209 479 P CA -0.015 62.975 63.100 -0.183 0.000 0.776 479 P CB 0.398 31.994 31.700 -0.173 0.000 0.876 480 D N 3.518 123.615 120.400 -0.504 0.000 2.458 480 D HA 0.006 4.647 4.640 0.002 0.000 0.243 480 D C -1.135 174.615 176.300 -0.917 0.000 1.146 480 D CA -0.724 52.719 54.000 -0.928 0.000 0.877 480 D CB 0.394 40.205 40.800 -1.649 0.000 1.176 480 D HN 0.301 nan 8.370 nan 0.000 0.461 481 P HA -0.002 nan 4.420 nan 0.000 0.242 481 P C 0.004 177.009 177.300 -0.492 0.000 1.197 481 P CA 0.383 63.148 63.100 -0.557 0.000 0.765 481 P CB -0.007 31.380 31.700 -0.522 0.000 0.936 482 W N 0.000 120.908 121.300 -0.654 0.000 2.388 482 W HA 0.000 4.661 4.660 0.001 0.000 0.303 482 W CA 0.000 57.106 57.345 -0.399 0.000 1.226 482 W CB 0.000 29.194 29.460 -0.444 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535