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 3n5p_1_B DATA FIRST_RESID 69 DATA SEQUENCE KFPRVKNWEL GSITYDTLCA QSQQDGPCTP RRCLGSLVLP RKXXXXXXXX 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 0.000 176.318 176.600 -0.470 0.000 0.988 69 K CA 0.000 56.053 56.287 -0.390 0.000 0.838 69 K CB 0.000 32.127 32.500 -0.622 0.000 1.064 70 F N 4.253 124.223 119.950 0.033 0.000 2.434 70 F HA 0.441 4.968 4.527 0.001 0.000 0.367 70 F C -2.334 173.562 175.800 0.160 0.000 1.093 70 F CA -2.624 55.418 58.000 0.069 0.000 1.085 70 F CB 1.066 40.102 39.000 0.060 0.000 1.322 70 F HN -0.120 nan 8.300 nan 0.000 0.452 71 P HA 0.061 nan 4.420 nan 0.000 0.268 71 P C -0.126 177.264 177.300 0.150 0.000 1.205 71 P CA -0.371 62.836 63.100 0.179 0.000 0.771 71 P CB 1.017 32.789 31.700 0.121 0.000 0.858 72 R N 1.890 122.407 120.500 0.028 0.000 2.438 72 R HA 0.368 4.709 4.340 0.001 0.000 0.287 72 R C -1.154 175.034 176.300 -0.186 0.000 1.077 72 R CA -0.394 55.513 56.100 -0.322 0.000 1.034 72 R CB 0.424 30.564 30.300 -0.266 0.000 0.993 72 R HN 0.274 nan 8.270 nan 0.000 0.459 73 V N 5.159 124.924 119.914 -0.250 0.000 2.447 73 V HA 0.272 4.393 4.120 0.001 0.000 0.292 73 V C -0.473 175.542 176.094 -0.131 0.000 1.021 73 V CA -0.770 61.471 62.300 -0.098 0.000 0.850 73 V CB 1.333 33.139 31.823 -0.028 0.000 1.005 73 V HN 0.746 nan 8.190 nan 0.000 0.426 74 K N 3.960 124.297 120.400 -0.104 0.000 2.164 74 K HA 0.428 4.748 4.320 0.001 0.000 0.258 74 K C -0.279 176.239 176.600 -0.137 0.000 0.951 74 K CA -0.613 55.533 56.287 -0.235 0.000 0.844 74 K CB 1.274 33.481 32.500 -0.489 0.000 1.099 74 K HN 0.676 nan 8.250 nan 0.000 0.435 75 N N 4.101 122.716 118.700 -0.142 0.000 2.422 75 N HA 0.076 4.816 4.740 0.001 0.000 0.266 75 N C -0.302 175.171 175.510 -0.062 0.000 1.007 75 N CA -0.282 52.775 53.050 0.011 0.000 0.941 75 N CB 0.503 39.025 38.487 0.058 0.000 1.115 75 N HN 0.695 nan 8.380 nan 0.000 0.492 76 W N 2.158 123.538 121.300 0.134 0.000 2.905 76 W HA 0.131 4.793 4.660 0.002 0.000 0.251 76 W C 2.094 178.676 176.519 0.106 0.000 1.305 76 W CA -0.136 57.283 57.345 0.124 0.000 1.465 76 W CB 0.313 29.866 29.460 0.155 0.000 1.122 76 W HN 0.671 nan 8.180 nan 0.000 0.659 77 E N 0.583 120.937 120.200 0.257 0.000 2.051 77 E HA -0.128 4.223 4.350 0.001 0.000 0.189 77 E C 1.623 178.255 176.600 0.052 0.000 0.979 77 E CA 1.148 57.595 56.400 0.079 0.000 0.803 77 E CB -0.231 29.456 29.700 -0.021 0.000 0.761 77 E HN 0.242 nan 8.360 nan 0.000 0.451 78 L N -1.032 120.215 121.223 0.041 0.000 2.693 78 L HA 0.369 4.710 4.340 0.001 0.000 0.235 78 L C 1.480 178.330 176.870 -0.033 0.000 1.127 78 L CA 0.300 55.143 54.840 0.006 0.000 0.914 78 L CB 0.664 42.729 42.059 0.010 0.000 1.193 78 L HN 0.394 nan 8.230 nan 0.000 0.502 79 G N 0.813 109.566 108.800 -0.078 0.000 2.189 79 G HA2 -0.352 3.608 3.960 0.001 0.000 0.267 79 G HA3 -0.352 3.608 3.960 0.001 0.000 0.267 79 G C 0.513 175.312 174.900 -0.168 0.000 0.975 79 G CA 0.579 45.578 45.100 -0.169 0.000 0.644 79 G HN 0.520 nan 8.290 nan 0.000 0.537 80 S N -0.474 115.158 115.700 -0.114 0.000 2.579 80 S HA 0.644 5.115 4.470 0.001 0.000 0.275 80 S C 0.144 174.658 174.600 -0.142 0.000 1.345 80 S CA -0.067 58.075 58.200 -0.098 0.000 1.031 80 S CB 1.672 64.840 63.200 -0.054 0.000 0.892 80 S HN 0.682 nan 8.310 nan 0.000 0.529 81 I N 1.644 122.136 120.570 -0.132 0.000 2.647 81 I HA 0.530 4.701 4.170 0.001 0.000 0.295 81 I C 0.011 176.028 176.117 -0.167 0.000 1.078 81 I CA -0.461 60.724 61.300 -0.192 0.000 1.048 81 I CB 2.698 40.565 38.000 -0.221 0.000 1.239 81 I HN 1.013 nan 8.210 nan 0.000 0.421 82 T N 0.839 115.251 114.554 -0.236 0.000 2.865 82 T HA 0.650 5.001 4.350 0.001 0.000 0.294 82 T C -1.318 173.171 174.700 -0.352 0.000 1.119 82 T CA -0.803 61.202 62.100 -0.159 0.000 1.007 82 T CB 1.687 70.522 68.868 -0.056 0.000 1.225 82 T HN 0.293 nan 8.240 nan 0.000 0.515 83 Y N 0.012 120.312 120.300 -0.001 0.000 2.425 83 Y HA 0.547 5.098 4.550 0.001 0.000 0.344 83 Y C -0.292 175.614 175.900 0.011 0.000 0.969 83 Y CA -0.888 57.224 58.100 0.020 0.000 1.052 83 Y CB 1.973 40.437 38.460 0.006 0.000 1.215 83 Y HN 0.742 nan 8.280 nan 0.000 0.451 84 D N 1.471 121.990 120.400 0.198 0.000 2.349 84 D HA 0.146 4.787 4.640 0.001 0.000 0.232 84 D C 0.510 176.893 176.300 0.138 0.000 1.071 84 D CA -0.138 53.945 54.000 0.138 0.000 0.832 84 D CB 1.598 42.496 40.800 0.163 0.000 1.086 84 D HN 0.779 nan 8.370 nan 0.000 0.504 85 T N 1.163 115.713 114.554 -0.008 0.000 3.015 85 T HA -0.041 4.310 4.350 0.001 0.000 0.250 85 T C 1.855 176.550 174.700 -0.008 0.000 1.057 85 T CA -0.163 61.863 62.100 -0.123 0.000 1.066 85 T CB 0.051 68.605 68.868 -0.524 0.000 0.959 85 T HN 0.249 nan 8.240 nan 0.000 0.488 86 L N 2.565 123.773 121.223 -0.024 0.000 2.131 86 L HA 0.028 4.369 4.340 0.001 0.000 0.210 86 L C 2.692 179.451 176.870 -0.185 0.000 1.092 86 L CA 1.259 56.086 54.840 -0.022 0.000 0.759 86 L CB -0.973 41.137 42.059 0.085 0.000 0.903 86 L HN 0.678 nan 8.230 nan 0.000 0.435 87 C N -1.487 117.518 119.300 -0.492 0.000 2.403 87 C HA -0.111 4.350 4.460 0.001 0.000 0.282 87 C C 2.771 177.493 174.990 -0.447 0.000 1.297 87 C CA 0.347 58.709 59.018 -1.092 0.000 1.785 87 C CB -2.292 24.897 27.740 -0.918 0.000 1.963 87 C HN 0.589 nan 8.230 nan 0.000 0.507 88 A N -0.075 122.653 122.820 -0.154 0.000 2.172 88 A HA -0.054 4.267 4.320 0.001 0.000 0.216 88 A C 2.120 179.688 177.584 -0.026 0.000 1.154 88 A CA 1.250 53.259 52.037 -0.046 0.000 0.701 88 A CB -0.423 18.622 19.000 0.076 0.000 0.789 88 A HN 0.674 nan 8.150 nan 0.000 0.465 89 Q N 0.185 119.967 119.800 -0.029 0.000 2.444 89 Q HA 0.093 4.434 4.340 0.001 0.000 0.206 89 Q C 0.635 176.658 176.000 0.037 0.000 0.948 89 Q CA 0.256 56.070 55.803 0.019 0.000 0.946 89 Q CB -0.487 28.275 28.738 0.041 0.000 1.027 89 Q HN 0.488 nan 8.270 nan 0.000 0.513 90 S N 0.602 116.310 115.700 0.014 0.000 2.548 90 S HA 0.126 4.597 4.470 0.001 0.000 0.277 90 S C 0.814 175.439 174.600 0.042 0.000 1.315 90 S CA -0.157 58.079 58.200 0.059 0.000 1.050 90 S CB 0.616 63.863 63.200 0.079 0.000 0.918 90 S HN 0.129 nan 8.310 nan 0.000 0.497 91 Q N 2.087 121.918 119.800 0.051 0.000 2.245 91 Q HA 0.231 4.572 4.340 0.001 0.000 0.250 91 Q C -0.181 175.840 176.000 0.035 0.000 0.830 91 Q CA 0.115 55.941 55.803 0.039 0.000 0.950 91 Q CB 0.423 29.186 28.738 0.043 0.000 1.124 91 Q HN 0.661 nan 8.270 nan 0.000 0.502 92 Q N 1.382 121.208 119.800 0.042 0.000 2.241 92 Q HA 0.232 4.572 4.340 0.001 0.000 0.254 92 Q C -0.932 175.093 176.000 0.042 0.000 0.917 92 Q CA -0.131 55.693 55.803 0.035 0.000 0.919 92 Q CB 1.441 30.197 28.738 0.031 0.000 1.237 92 Q HN 0.040 nan 8.270 nan 0.000 0.434 93 D N 1.067 121.487 120.400 0.033 0.000 2.210 93 D HA 0.372 5.013 4.640 0.001 0.000 0.249 93 D C 0.262 176.584 176.300 0.037 0.000 1.078 93 D CA 0.021 54.042 54.000 0.035 0.000 0.875 93 D CB 1.503 42.319 40.800 0.026 0.000 1.175 93 D HN 0.637 nan 8.370 nan 0.000 0.440 94 G N 1.081 109.909 108.800 0.045 0.000 2.574 94 G HA2 0.340 4.300 3.960 0.001 0.000 0.248 94 G HA3 0.340 4.300 3.960 0.001 0.000 0.248 94 G C -1.686 173.237 174.900 0.039 0.000 1.422 94 G CA -0.550 44.576 45.100 0.043 0.000 1.051 94 G HN 0.342 nan 8.290 nan 0.000 0.560 95 P HA 0.228 nan 4.420 nan 0.000 0.252 95 P C 0.117 177.437 177.300 0.034 0.000 1.218 95 P CA -0.183 62.939 63.100 0.037 0.000 0.807 95 P CB 0.250 31.975 31.700 0.042 0.000 1.072 96 C N 0.751 120.074 119.300 0.037 0.000 2.539 96 C HA 0.603 5.064 4.460 0.001 0.000 0.392 96 C C 1.070 176.076 174.990 0.026 0.000 1.269 96 C CA 0.076 59.114 59.018 0.033 0.000 2.250 96 C CB 0.617 28.381 27.740 0.039 0.000 2.584 96 C HN 0.328 nan 8.230 nan 0.000 0.589 97 T N -0.736 113.831 114.554 0.020 0.000 2.907 97 T HA 0.461 4.812 4.350 0.001 0.000 0.290 97 T C -2.247 172.461 174.700 0.012 0.000 1.066 97 T CA -1.331 60.778 62.100 0.015 0.000 1.012 97 T CB 1.417 70.292 68.868 0.012 0.000 1.184 97 T HN 0.303 nan 8.240 nan 0.000 0.522 98 P HA -0.016 nan 4.420 nan 0.000 0.219 98 P C 1.515 178.818 177.300 0.005 0.000 1.146 98 P CA 0.786 63.889 63.100 0.006 0.000 0.808 98 P CB 0.075 31.776 31.700 0.003 0.000 0.779 99 R N -0.086 120.417 120.500 0.005 0.000 2.066 99 R HA -0.073 4.268 4.340 0.001 0.000 0.232 99 R C 0.747 177.050 176.300 0.005 0.000 1.131 99 R CA 1.107 57.209 56.100 0.004 0.000 0.955 99 R CB 0.106 30.409 30.300 0.005 0.000 0.851 99 R HN 0.061 nan 8.270 nan 0.000 0.432 100 R N -0.178 120.326 120.500 0.008 0.000 2.604 100 R HA 0.191 4.532 4.340 0.001 0.000 0.270 100 R C -1.718 174.590 176.300 0.013 0.000 1.052 100 R CA -0.753 55.352 56.100 0.008 0.000 0.902 100 R CB 0.087 30.393 30.300 0.009 0.000 1.233 100 R HN 0.135 nan 8.270 nan 0.000 0.455 101 C N 3.375 122.683 119.300 0.012 0.000 2.452 101 C HA 0.611 5.072 4.460 0.001 0.000 0.379 101 C C 0.226 175.231 174.990 0.025 0.000 1.275 101 C CA -0.434 58.595 59.018 0.019 0.000 2.056 101 C CB -0.379 27.368 27.740 0.012 0.000 2.506 101 C HN 0.711 nan 8.230 nan 0.000 0.560 102 L N 5.601 126.845 121.223 0.036 0.000 3.431 102 L HA 0.363 4.703 4.340 0.001 0.000 0.316 102 L C 1.779 178.684 176.870 0.059 0.000 1.305 102 L CA 0.766 55.631 54.840 0.042 0.000 0.995 102 L CB -0.019 42.062 42.059 0.037 0.000 1.411 102 L HN 1.015 nan 8.230 nan 0.000 0.610 103 G N -0.577 108.262 108.800 0.064 0.000 2.470 103 G HA2 -0.253 3.708 3.960 0.001 0.000 0.220 103 G HA3 -0.253 3.708 3.960 0.001 0.000 0.220 103 G C 1.418 176.392 174.900 0.124 0.000 1.121 103 G CA 1.117 46.269 45.100 0.087 0.000 0.766 103 G HN 0.509 nan 8.290 nan 0.000 0.553 104 S N -0.135 115.635 115.700 0.116 0.000 2.593 104 S HA 0.291 4.762 4.470 0.001 0.000 0.217 104 S C 0.937 175.634 174.600 0.162 0.000 0.966 104 S CA -0.501 57.792 58.200 0.154 0.000 0.914 104 S CB -0.111 63.155 63.200 0.110 0.000 0.776 104 S HN 0.028 nan 8.310 nan 0.000 0.523 105 L N 2.435 123.734 121.223 0.126 0.000 2.499 105 L HA 0.140 4.481 4.340 0.001 0.000 0.273 105 L C 1.642 178.607 176.870 0.159 0.000 1.195 105 L CA 0.168 55.077 54.840 0.115 0.000 0.882 105 L CB 0.655 42.761 42.059 0.079 0.000 1.133 105 L HN 0.135 nan 8.230 nan 0.000 0.483 106 V N 4.646 124.661 119.914 0.168 0.000 2.283 106 V HA -0.167 3.954 4.120 0.001 0.000 0.243 106 V C 0.775 176.937 176.094 0.113 0.000 1.039 106 V CA 1.343 63.773 62.300 0.217 0.000 1.016 106 V CB -0.200 31.747 31.823 0.208 0.000 0.650 106 V HN 0.671 nan 8.190 nan 0.000 0.449 107 L N -1.235 120.021 121.223 0.055 0.000 2.313 107 L HA 0.691 5.031 4.340 0.001 0.000 0.268 107 L C -2.554 174.361 176.870 0.075 0.000 1.010 107 L CA -2.035 52.838 54.840 0.055 0.000 0.814 107 L CB -0.051 41.963 42.059 -0.074 0.000 1.304 107 L HN -0.083 nan 8.230 nan 0.000 0.441 108 P HA 0.375 nan 4.420 nan 0.000 0.282 108 P C -0.338 176.987 177.300 0.042 0.000 1.249 108 P CA -0.608 62.531 63.100 0.064 0.000 0.806 108 P CB 1.524 33.263 31.700 0.066 0.000 0.984 109 R N 0.383 120.900 120.500 0.029 0.000 2.193 109 R HA 0.062 4.402 4.340 0.001 0.000 0.213 109 R C 1.120 177.431 176.300 0.019 0.000 1.055 109 R CA 0.428 56.538 56.100 0.017 0.000 0.995 109 R CB 0.094 30.401 30.300 0.012 0.000 0.893 109 R HN 0.472 nan 8.270 nan 0.000 0.459 122 A N 0.558 123.383 122.820 0.009 0.000 3.891 122 A HA -0.244 4.077 4.320 0.001 0.000 0.247 122 A C 1.559 179.150 177.584 0.011 0.000 0.892 122 A CA 1.715 53.761 52.037 0.014 0.000 1.522 122 A CB -1.543 17.465 19.000 0.012 0.000 0.963 122 A HN 0.275 nan 8.150 nan 0.000 0.773 123 E N -0.621 119.584 120.200 0.009 0.000 2.216 123 E HA -0.038 4.313 4.350 0.001 0.000 0.192 123 E C 1.966 178.573 176.600 0.011 0.000 0.973 123 E CA 0.993 57.397 56.400 0.007 0.000 0.851 123 E CB -0.193 29.509 29.700 0.004 0.000 0.804 123 E HN 0.849 nan 8.360 nan 0.000 0.477 124 Q N 0.332 120.140 119.800 0.013 0.000 2.167 124 Q HA -0.124 4.217 4.340 0.001 0.000 0.202 124 Q C 2.161 178.176 176.000 0.025 0.000 0.970 124 Q CA 0.714 56.527 55.803 0.016 0.000 0.855 124 Q CB 0.097 28.842 28.738 0.012 0.000 0.911 124 Q HN 0.125 nan 8.270 nan 0.000 0.438 125 L N 0.268 121.507 121.223 0.027 0.000 2.007 125 L HA -0.128 4.212 4.340 0.001 0.000 0.205 125 L C 2.145 179.041 176.870 0.043 0.000 1.073 125 L CA 1.348 56.216 54.840 0.047 0.000 0.744 125 L CB -0.825 41.268 42.059 0.056 0.000 0.898 125 L HN 0.334 nan 8.230 nan 0.000 0.435 126 L N -0.287 120.946 121.223 0.016 0.000 2.021 126 L HA -0.260 4.081 4.340 0.001 0.000 0.215 126 L C 2.682 179.551 176.870 -0.001 0.000 1.074 126 L CA 2.487 57.318 54.840 -0.015 0.000 0.760 126 L CB -1.077 40.971 42.059 -0.018 0.000 0.889 126 L HN 0.636 nan 8.230 nan 0.000 0.433 127 S N -1.889 113.822 115.700 0.018 0.000 2.383 127 S HA -0.221 4.250 4.470 0.001 0.000 0.227 127 S C 1.943 176.579 174.600 0.060 0.000 1.026 127 S CA 1.068 59.286 58.200 0.031 0.000 0.981 127 S CB -0.633 62.584 63.200 0.027 0.000 0.818 127 S HN 0.672 nan 8.310 nan 0.000 0.472 128 Q N 0.921 120.763 119.800 0.069 0.000 2.119 128 Q HA 0.080 4.420 4.340 0.001 0.000 0.201 128 Q C 2.506 178.603 176.000 0.162 0.000 0.972 128 Q CA 1.347 57.212 55.803 0.103 0.000 0.847 128 Q CB -0.438 28.350 28.738 0.083 0.000 0.903 128 Q HN 0.779 nan 8.270 nan 0.000 0.433 129 A N 0.853 123.753 122.820 0.134 0.000 1.872 129 A HA -0.150 4.170 4.320 0.001 0.000 0.214 129 A C 2.027 179.702 177.584 0.152 0.000 1.187 129 A CA 0.902 53.029 52.037 0.149 0.000 0.614 129 A CB -0.434 18.480 19.000 -0.143 0.000 0.826 129 A HN 0.127 nan 8.150 nan 0.000 0.442 130 R N 0.333 120.874 120.500 0.068 0.000 2.094 130 R HA -0.239 4.102 4.340 0.001 0.000 0.239 130 R C 1.825 178.206 176.300 0.134 0.000 1.137 130 R CA 2.489 58.633 56.100 0.074 0.000 0.943 130 R CB -0.961 29.359 30.300 0.033 0.000 0.850 130 R HN 0.608 nan 8.270 nan 0.000 0.433 131 D N -0.819 119.666 120.400 0.142 0.000 2.123 131 D HA -0.204 4.436 4.640 0.001 0.000 0.196 131 D C 1.857 178.283 176.300 0.210 0.000 0.992 131 D CA 1.423 55.516 54.000 0.155 0.000 0.833 131 D CB -0.238 40.649 40.800 0.144 0.000 0.954 131 D HN 0.264 nan 8.370 nan 0.000 0.455 132 F N 0.533 120.571 119.950 0.147 0.000 2.146 132 F HA -0.047 4.481 4.527 0.001 0.000 0.298 132 F C 1.928 177.875 175.800 0.244 0.000 1.096 132 F CA 0.904 59.026 58.000 0.203 0.000 1.275 132 F CB -0.129 38.994 39.000 0.205 0.000 1.008 132 F HN -0.023 nan 8.300 nan 0.000 0.480 133 I N 0.929 121.588 120.570 0.147 0.000 2.361 133 I HA -0.272 3.899 4.170 0.001 0.000 0.251 133 I C 1.868 178.064 176.117 0.132 0.000 1.133 133 I CA 1.003 62.389 61.300 0.143 0.000 1.413 133 I CB -1.605 36.557 38.000 0.270 0.000 1.073 133 I HN 0.249 nan 8.210 nan 0.000 0.424 134 N N 1.043 119.812 118.700 0.114 0.000 2.080 134 N HA -0.172 4.569 4.740 0.001 0.000 0.189 134 N C 1.797 177.252 175.510 -0.091 0.000 1.036 134 N CA 1.090 54.168 53.050 0.046 0.000 0.846 134 N CB -0.403 38.148 38.487 0.106 0.000 1.015 134 N HN 0.472 nan 8.380 nan 0.000 0.423 135 Q N -0.358 119.406 119.800 -0.060 0.000 2.133 135 Q HA -0.229 4.112 4.340 0.001 0.000 0.208 135 Q C 1.871 177.685 176.000 -0.309 0.000 0.991 135 Q CA 1.645 57.419 55.803 -0.050 0.000 0.867 135 Q CB -0.367 28.455 28.738 0.140 0.000 0.911 135 Q HN 0.518 nan 8.270 nan 0.000 0.417 136 Y N -0.155 119.723 120.300 -0.702 0.000 2.220 136 Y HA -0.235 4.316 4.550 0.001 0.000 0.291 136 Y C 1.711 177.100 175.900 -0.853 0.000 1.129 136 Y CA 1.324 58.702 58.100 -1.203 0.000 1.161 136 Y CB -0.413 37.409 38.460 -1.063 0.000 0.997 136 Y HN 0.037 nan 8.280 nan 0.000 0.522 137 Y N -0.653 119.221 120.300 -0.711 0.000 2.293 137 Y HA -0.176 4.374 4.550 0.001 0.000 0.291 137 Y C 3.049 178.606 175.900 -0.572 0.000 1.137 137 Y CA 1.716 59.383 58.100 -0.721 0.000 1.202 137 Y CB -0.683 37.299 38.460 -0.797 0.000 0.990 137 Y HN 0.184 nan 8.280 nan 0.000 0.537 138 S N -0.558 114.934 115.700 -0.348 0.000 2.368 138 S HA -0.222 4.249 4.470 0.001 0.000 0.225 138 S C 2.384 176.829 174.600 -0.258 0.000 1.030 138 S CA 1.603 59.661 58.200 -0.236 0.000 0.999 138 S CB -0.603 62.510 63.200 -0.144 0.000 0.844 138 S HN 0.632 nan 8.310 nan 0.000 0.459 139 S N 1.923 117.389 115.700 -0.390 0.000 2.383 139 S HA -0.072 4.399 4.470 0.001 0.000 0.227 139 S C 1.655 176.054 174.600 -0.334 0.000 1.026 139 S CA 1.150 59.160 58.200 -0.317 0.000 0.981 139 S CB -0.932 62.026 63.200 -0.404 0.000 0.818 139 S HN 0.768 nan 8.310 nan 0.000 0.472 140 I N -2.261 117.991 120.570 -0.529 0.000 3.806 140 I HA 0.379 4.550 4.170 0.001 0.000 0.321 140 I C -0.383 175.573 176.117 -0.268 0.000 1.315 140 I CA -0.499 60.550 61.300 -0.418 0.000 1.148 140 I CB -0.350 37.290 38.000 -0.600 0.000 1.028 140 I HN -0.131 nan 8.210 nan 0.000 0.415 141 K N 1.441 121.712 120.400 -0.214 0.000 3.077 141 K HA -0.182 4.139 4.320 0.001 0.000 0.264 141 K C 0.103 176.645 176.600 -0.097 0.000 1.008 141 K CA 0.575 56.784 56.287 -0.129 0.000 0.740 141 K CB -1.855 30.591 32.500 -0.091 0.000 1.273 141 K HN 0.560 nan 8.250 nan 0.000 0.477 142 R N -0.603 119.839 120.500 -0.097 0.000 2.659 142 R HA 0.108 4.449 4.340 0.001 0.000 0.418 142 R C -0.100 176.219 176.300 0.031 0.000 1.076 142 R CA -0.274 55.830 56.100 0.007 0.000 1.093 142 R CB 0.767 31.120 30.300 0.087 0.000 1.400 142 R HN 0.166 nan 8.270 nan 0.000 0.583 143 S N 0.023 115.693 115.700 -0.050 0.000 2.509 143 S HA 0.291 4.762 4.470 0.001 0.000 0.287 143 S C 1.234 175.881 174.600 0.078 0.000 1.248 143 S CA 1.372 59.539 58.200 -0.054 0.000 1.089 143 S CB 0.102 63.258 63.200 -0.074 0.000 0.900 143 S HN 0.730 nan 8.310 nan 0.000 0.496 144 G N 3.286 112.236 108.800 0.251 0.000 2.176 144 G HA2 -0.261 3.700 3.960 0.001 0.000 0.232 144 G HA3 -0.261 3.700 3.960 0.001 0.000 0.232 144 G C 0.253 175.176 174.900 0.038 0.000 0.986 144 G CA 0.164 45.332 45.100 0.112 0.000 0.643 144 G HN 1.429 nan 8.290 nan 0.000 0.522 145 S N 0.133 115.862 115.700 0.048 0.000 2.587 145 S HA 0.367 4.837 4.470 0.001 0.000 0.260 145 S C 1.617 176.198 174.600 -0.030 0.000 1.353 145 S CA 0.675 58.883 58.200 0.014 0.000 0.995 145 S CB 0.746 63.973 63.200 0.045 0.000 0.912 145 S HN 0.459 nan 8.310 nan 0.000 0.568 146 Q N 1.074 120.859 119.800 -0.024 0.000 2.050 146 Q HA -0.151 4.190 4.340 0.001 0.000 0.202 146 Q C 2.593 178.557 176.000 -0.060 0.000 0.980 146 Q CA 1.631 57.410 55.803 -0.040 0.000 0.840 146 Q CB -1.151 27.576 28.738 -0.018 0.000 0.898 146 Q HN 0.930 nan 8.270 nan 0.000 0.424 147 A N 1.688 124.493 122.820 -0.025 0.000 1.948 147 A HA -0.274 4.047 4.320 0.001 0.000 0.220 147 A C 2.013 179.468 177.584 -0.215 0.000 1.177 147 A CA 1.937 53.967 52.037 -0.013 0.000 0.636 147 A CB -1.078 18.009 19.000 0.145 0.000 0.815 147 A HN 0.605 nan 8.150 nan 0.000 0.449 148 H N -0.934 117.783 119.070 -0.589 0.000 2.333 148 H HA -0.073 4.484 4.556 0.001 0.000 0.302 148 H C 1.788 176.840 175.328 -0.461 0.000 1.075 148 H CA 1.191 56.636 56.048 -1.004 0.000 1.348 148 H CB 0.102 29.332 29.762 -0.886 0.000 1.393 148 H HN 0.430 nan 8.280 nan 0.000 0.509 149 E N 0.887 120.827 120.200 -0.433 0.000 2.106 149 E HA -0.160 4.190 4.350 0.001 0.000 0.192 149 E C 2.076 178.549 176.600 -0.213 0.000 0.984 149 E CA 0.586 56.770 56.400 -0.360 0.000 0.806 149 E CB -0.177 29.376 29.700 -0.245 0.000 0.750 149 E HN 0.652 nan 8.360 nan 0.000 0.458 150 E N 0.575 120.684 120.200 -0.152 0.000 2.051 150 E HA -0.210 4.140 4.350 0.001 0.000 0.192 150 E C 2.210 178.777 176.600 -0.055 0.000 0.991 150 E CA 1.079 57.432 56.400 -0.079 0.000 0.799 150 E CB 0.073 29.749 29.700 -0.041 0.000 0.748 150 E HN -0.067 nan 8.360 nan 0.000 0.449 151 R N 0.671 121.138 120.500 -0.055 0.000 2.075 151 R HA -0.068 4.272 4.340 0.001 0.000 0.232 151 R C 2.307 178.604 176.300 -0.005 0.000 1.126 151 R CA 0.955 57.068 56.100 0.021 0.000 0.963 151 R CB -0.572 29.797 30.300 0.114 0.000 0.858 151 R HN 0.181 nan 8.270 nan 0.000 0.435 152 L N 0.371 121.549 121.223 -0.075 0.000 1.978 152 L HA -0.335 4.006 4.340 0.001 0.000 0.218 152 L C 2.553 179.376 176.870 -0.079 0.000 1.075 152 L CA 2.149 56.935 54.840 -0.089 0.000 0.767 152 L CB -0.487 41.459 42.059 -0.189 0.000 0.890 152 L HN 0.417 nan 8.230 nan 0.000 0.434 153 Q N -0.874 118.878 119.800 -0.081 0.000 2.124 153 Q HA -0.269 4.072 4.340 0.001 0.000 0.202 153 Q C 2.108 178.085 176.000 -0.037 0.000 0.977 153 Q CA 1.641 57.409 55.803 -0.059 0.000 0.850 153 Q CB -0.149 28.556 28.738 -0.055 0.000 0.901 153 Q HN 0.467 nan 8.270 nan 0.000 0.429 154 E N 0.261 120.449 120.200 -0.020 0.000 2.058 154 E HA -0.205 4.146 4.350 0.001 0.000 0.194 154 E C 1.992 178.592 176.600 -0.001 0.000 0.997 154 E CA 1.436 57.841 56.400 0.008 0.000 0.801 154 E CB 0.121 29.843 29.700 0.037 0.000 0.746 154 E HN 0.166 nan 8.360 nan 0.000 0.450 155 V N 1.916 121.804 119.914 -0.044 0.000 2.287 155 V HA -0.272 3.848 4.120 0.001 0.000 0.248 155 V C 2.224 178.223 176.094 -0.158 0.000 1.053 155 V CA 2.214 64.413 62.300 -0.168 0.000 1.027 155 V CB -0.590 31.054 31.823 -0.299 0.000 0.646 155 V HN 0.323 nan 8.190 nan 0.000 0.447 156 E N 0.572 120.708 120.200 -0.107 0.000 2.085 156 E HA -0.226 4.125 4.350 0.001 0.000 0.194 156 E C 2.334 178.911 176.600 -0.039 0.000 0.994 156 E CA 1.464 57.819 56.400 -0.074 0.000 0.801 156 E CB -0.371 29.294 29.700 -0.059 0.000 0.743 156 E HN 0.618 nan 8.360 nan 0.000 0.453 157 A N 1.848 124.654 122.820 -0.022 0.000 1.845 157 A HA -0.250 4.071 4.320 0.001 0.000 0.215 157 A C 2.131 179.727 177.584 0.020 0.000 1.195 157 A CA 1.700 53.737 52.037 0.001 0.000 0.616 157 A CB -0.605 18.400 19.000 0.009 0.000 0.832 157 A HN 0.269 nan 8.150 nan 0.000 0.443 158 E N -0.478 119.745 120.200 0.037 0.000 2.118 158 E HA -0.155 4.196 4.350 0.001 0.000 0.195 158 E C 1.783 178.429 176.600 0.077 0.000 0.992 158 E CA 1.492 57.942 56.400 0.083 0.000 0.804 158 E CB -0.111 29.678 29.700 0.148 0.000 0.741 158 E HN 0.309 nan 8.360 nan 0.000 0.458 159 V N 0.431 120.372 119.914 0.044 0.000 2.591 159 V HA -0.129 3.992 4.120 0.001 0.000 0.249 159 V C 2.171 178.281 176.094 0.027 0.000 1.053 159 V CA 1.470 63.796 62.300 0.043 0.000 1.068 159 V CB -0.126 31.703 31.823 0.009 0.000 0.689 159 V HN 0.418 nan 8.190 nan 0.000 0.462 160 A N -0.283 122.545 122.820 0.015 0.000 2.014 160 A HA -0.099 4.222 4.320 0.001 0.000 0.218 160 A C 2.395 179.991 177.584 0.020 0.000 1.163 160 A CA 1.795 53.840 52.037 0.012 0.000 0.652 160 A CB -0.291 18.711 19.000 0.004 0.000 0.808 160 A HN 0.550 nan 8.150 nan 0.000 0.449 161 S N -0.683 115.035 115.700 0.029 0.000 2.388 161 S HA -0.063 4.408 4.470 0.001 0.000 0.223 161 S C 1.909 176.532 174.600 0.039 0.000 1.034 161 S CA 1.587 59.807 58.200 0.033 0.000 0.963 161 S CB -0.265 62.959 63.200 0.040 0.000 0.827 161 S HN 0.840 nan 8.310 nan 0.000 0.481 162 T N -2.841 111.742 114.554 0.048 0.000 2.959 162 T HA 0.483 4.834 4.350 0.001 0.000 0.254 162 T C 1.502 176.226 174.700 0.040 0.000 1.003 162 T CA 0.854 62.985 62.100 0.052 0.000 0.950 162 T CB 0.343 69.258 68.868 0.078 0.000 1.090 162 T HN 0.664 nan 8.240 nan 0.000 0.503 163 G N 0.332 109.155 108.800 0.040 0.000 2.179 163 G HA2 -0.187 3.774 3.960 0.001 0.000 0.260 163 G HA3 -0.187 3.774 3.960 0.001 0.000 0.260 163 G C 0.186 175.107 174.900 0.035 0.000 0.977 163 G CA 0.624 45.743 45.100 0.031 0.000 0.641 163 G HN 0.992 nan 8.290 nan 0.000 0.533 164 T N -1.619 112.964 114.554 0.049 0.000 2.645 164 T HA 0.729 5.080 4.350 0.001 0.000 0.300 164 T C -1.346 173.422 174.700 0.113 0.000 1.210 164 T CA 0.542 62.661 62.100 0.032 0.000 1.034 164 T CB 1.439 70.244 68.868 -0.105 0.000 1.537 164 T HN 1.683 nan 8.240 nan 0.000 0.492 165 Y N -0.926 119.222 120.300 -0.253 0.000 2.852 165 Y HA 0.740 5.291 4.550 0.001 0.000 0.350 165 Y C -1.934 173.679 175.900 -0.478 0.000 1.272 165 Y CA -1.179 56.780 58.100 -0.236 0.000 1.086 165 Y CB 0.523 38.958 38.460 -0.042 0.000 1.408 165 Y HN 0.808 nan 8.280 nan 0.000 0.447 166 H N 0.726 119.818 119.070 0.037 0.000 2.747 166 H HA 0.732 5.289 4.556 0.001 0.000 0.371 166 H C -1.147 174.231 175.328 0.084 0.000 1.161 166 H CA -0.858 55.166 56.048 -0.041 0.000 1.167 166 H CB 2.124 31.907 29.762 0.035 0.000 1.732 166 H HN 0.710 nan 8.280 nan 0.000 0.544 167 L N 2.437 123.746 121.223 0.144 0.000 2.307 167 L HA 0.444 4.785 4.340 0.001 0.000 0.282 167 L C 0.186 177.130 176.870 0.123 0.000 1.051 167 L CA -1.106 53.828 54.840 0.155 0.000 0.804 167 L CB 0.770 42.880 42.059 0.086 0.000 1.197 167 L HN 0.399 nan 8.230 nan 0.000 0.431 168 R N 1.753 122.314 120.500 0.102 0.000 2.594 168 R HA -0.009 4.332 4.340 0.001 0.000 0.272 168 R C 1.035 177.332 176.300 -0.006 0.000 1.074 168 R CA -0.029 56.099 56.100 0.046 0.000 1.105 168 R CB 0.404 30.726 30.300 0.036 0.000 1.008 168 R HN 0.698 nan 8.270 nan 0.000 0.472 169 E N 1.589 121.783 120.200 -0.010 0.000 2.049 169 E HA -0.260 4.090 4.350 0.001 0.000 0.198 169 E C 1.172 177.745 176.600 -0.046 0.000 1.007 169 E CA 2.295 58.674 56.400 -0.035 0.000 0.809 169 E CB 0.106 29.790 29.700 -0.027 0.000 0.749 169 E HN 0.650 nan 8.360 nan 0.000 0.450 170 S N -0.287 115.389 115.700 -0.041 0.000 2.474 170 S HA -0.146 4.325 4.470 0.001 0.000 0.235 170 S C 1.618 176.144 174.600 -0.123 0.000 0.997 170 S CA 1.206 59.394 58.200 -0.021 0.000 0.949 170 S CB -0.198 63.031 63.200 0.048 0.000 0.766 170 S HN 0.361 nan 8.310 nan 0.000 0.517 171 E N 0.630 120.644 120.200 -0.309 0.000 2.158 171 E HA 0.042 4.393 4.350 0.001 0.000 0.191 171 E C 1.952 178.612 176.600 0.100 0.000 0.982 171 E CA 0.848 57.026 56.400 -0.369 0.000 0.823 171 E CB -0.258 29.272 29.700 -0.284 0.000 0.766 171 E HN 0.480 nan 8.360 nan 0.000 0.468 172 L N 0.760 121.982 121.223 -0.001 0.000 2.056 172 L HA -0.136 4.205 4.340 0.001 0.000 0.207 172 L C 2.145 178.994 176.870 -0.036 0.000 1.078 172 L CA 1.350 56.145 54.840 -0.074 0.000 0.749 172 L CB -0.376 41.573 42.059 -0.184 0.000 0.901 172 L HN -0.070 nan 8.230 nan 0.000 0.433 173 V N -0.179 119.737 119.914 0.002 0.000 2.252 173 V HA -0.347 3.773 4.120 0.001 0.000 0.249 173 V C 2.375 178.553 176.094 0.140 0.000 1.056 173 V CA 2.406 64.727 62.300 0.036 0.000 1.022 173 V CB -0.928 30.918 31.823 0.037 0.000 0.641 173 V HN 0.607 nan 8.190 nan 0.000 0.445 174 F N 1.789 121.796 119.950 0.095 0.000 2.095 174 F HA -0.118 4.410 4.527 0.001 0.000 0.298 174 F C 2.158 178.094 175.800 0.227 0.000 1.104 174 F CA 1.915 60.031 58.000 0.193 0.000 1.232 174 F CB -0.917 38.245 39.000 0.271 0.000 0.987 174 F HN 0.135 nan 8.300 nan 0.000 0.475 175 G N -0.453 108.461 108.800 0.189 0.000 2.422 175 G HA2 -0.189 3.771 3.960 0.001 0.000 0.218 175 G HA3 -0.189 3.771 3.960 0.001 0.000 0.218 175 G C 1.791 176.599 174.900 -0.153 0.000 1.146 175 G CA 0.742 45.862 45.100 0.033 0.000 0.769 175 G HN 0.636 nan 8.290 nan 0.000 0.547 176 A N 0.706 123.455 122.820 -0.118 0.000 1.930 176 A HA 0.050 4.370 4.320 0.001 0.000 0.217 176 A C 2.300 179.907 177.584 0.039 0.000 1.175 176 A CA 1.859 53.832 52.037 -0.106 0.000 0.627 176 A CB -0.272 18.683 19.000 -0.075 0.000 0.815 176 A HN 0.384 nan 8.150 nan 0.000 0.443 177 K N -1.096 119.351 120.400 0.078 0.000 2.057 177 K HA -0.134 4.187 4.320 0.001 0.000 0.206 177 K C 2.315 178.996 176.600 0.136 0.000 1.050 177 K CA 1.374 57.812 56.287 0.252 0.000 0.935 177 K CB -0.125 32.566 32.500 0.318 0.000 0.715 177 K HN 0.301 nan 8.250 nan 0.000 0.439 178 Q N 0.597 120.301 119.800 -0.160 0.000 2.124 178 Q HA -0.043 4.298 4.340 0.001 0.000 0.202 178 Q C 1.829 177.721 176.000 -0.180 0.000 0.977 178 Q CA 1.713 57.319 55.803 -0.328 0.000 0.850 178 Q CB -0.259 28.151 28.738 -0.546 0.000 0.901 178 Q HN 0.345 nan 8.270 nan 0.000 0.429 179 A N -1.152 121.589 122.820 -0.133 0.000 2.014 179 A HA -0.139 4.182 4.320 0.001 0.000 0.218 179 A C 1.758 179.484 177.584 0.235 0.000 1.163 179 A CA 1.126 53.080 52.037 -0.139 0.000 0.652 179 A CB -0.881 17.737 19.000 -0.637 0.000 0.808 179 A HN 0.604 nan 8.150 nan 0.000 0.449 180 W N 1.000 122.378 121.300 0.130 0.000 2.407 180 W HA -0.064 4.597 4.660 0.001 0.000 0.305 180 W C 2.280 178.769 176.519 -0.050 0.000 1.196 180 W CA 1.297 58.683 57.345 0.068 0.000 1.311 180 W CB -0.686 28.792 29.460 0.031 0.000 1.135 180 W HN 0.333 nan 8.180 nan 0.000 0.514 181 R N 0.313 120.764 120.500 -0.081 0.000 2.113 181 R HA -0.224 4.117 4.340 0.001 0.000 0.244 181 R C 1.674 177.825 176.300 -0.247 0.000 1.142 181 R CA 2.024 57.851 56.100 -0.455 0.000 0.953 181 R CB -0.650 29.113 30.300 -0.895 0.000 0.860 181 R HN 0.139 nan 8.270 nan 0.000 0.438 182 N N 0.279 118.894 118.700 -0.141 0.000 2.494 182 N HA -0.009 4.732 4.740 0.001 0.000 0.182 182 N C -0.143 175.344 175.510 -0.039 0.000 1.076 182 N CA 0.713 53.708 53.050 -0.091 0.000 0.908 182 N CB 0.076 38.516 38.487 -0.078 0.000 0.967 182 N HN 0.182 nan 8.380 nan 0.000 0.449 183 A N 2.268 125.109 122.820 0.035 0.000 2.500 183 A HA 0.156 4.477 4.320 0.001 0.000 0.285 183 A C -1.230 176.347 177.584 -0.011 0.000 1.183 183 A CA -0.796 51.257 52.037 0.027 0.000 0.851 183 A CB 0.174 19.218 19.000 0.074 0.000 1.091 183 A HN 0.044 nan 8.150 nan 0.000 0.521 184 P HA -0.091 nan 4.420 nan 0.000 0.221 184 P C 1.170 178.441 177.300 -0.048 0.000 1.150 184 P CA 1.015 64.078 63.100 -0.061 0.000 0.800 184 P CB 0.156 31.785 31.700 -0.119 0.000 0.787 185 R N -1.860 118.578 120.500 -0.104 0.000 2.313 185 R HA 0.091 4.432 4.340 0.001 0.000 0.199 185 R C 0.355 176.645 176.300 -0.016 0.000 0.958 185 R CA 0.002 56.041 56.100 -0.102 0.000 1.047 185 R CB -0.572 29.511 30.300 -0.362 0.000 0.955 185 R HN 0.181 nan 8.270 nan 0.000 0.481 186 C N 0.699 119.996 119.300 -0.005 0.000 2.281 186 C HA 0.195 4.656 4.460 0.001 0.000 0.336 186 C C 1.922 176.905 174.990 -0.012 0.000 1.217 186 C CA -0.687 58.354 59.018 0.039 0.000 1.730 186 C CB 0.299 28.125 27.740 0.142 0.000 2.338 186 C HN 0.273 nan 8.230 nan 0.000 0.521 187 V N 6.140 125.998 119.914 -0.093 0.000 3.305 187 V HA 0.133 4.254 4.120 0.001 0.000 0.269 187 V C 1.849 177.999 176.094 0.093 0.000 1.157 187 V CA 2.310 64.484 62.300 -0.209 0.000 1.157 187 V CB -0.251 31.438 31.823 -0.224 0.000 0.772 187 V HN 1.077 nan 8.190 nan 0.000 0.498 188 G N -0.762 108.101 108.800 0.106 0.000 3.189 188 G HA2 0.006 3.967 3.960 0.001 0.000 0.225 188 G HA3 0.006 3.967 3.960 0.001 0.000 0.225 188 G C 1.299 176.200 174.900 0.002 0.000 1.159 188 G CA -0.312 44.853 45.100 0.108 0.000 0.763 188 G HN 0.454 nan 8.290 nan 0.000 0.549 189 R N -0.032 120.375 120.500 -0.155 0.000 2.357 189 R HA 0.172 4.512 4.340 0.001 0.000 0.202 189 R C 1.826 177.677 176.300 -0.748 0.000 1.047 189 R CA 0.042 55.739 56.100 -0.671 0.000 1.034 189 R CB -0.155 29.705 30.300 -0.733 0.000 0.875 189 R HN 0.377 nan 8.270 nan 0.000 0.473 190 I N 0.734 121.071 120.570 -0.389 0.000 2.830 190 I HA -0.202 3.968 4.170 0.001 0.000 0.263 190 I C 1.273 177.305 176.117 -0.142 0.000 1.230 190 I CA 1.062 62.295 61.300 -0.112 0.000 1.480 190 I CB 0.185 38.208 38.000 0.037 0.000 1.095 190 I HN 0.219 nan 8.210 nan 0.000 0.455 191 Q N 0.398 120.037 119.800 -0.269 0.000 2.425 191 Q HA -0.109 4.232 4.340 0.001 0.000 0.204 191 Q C 1.733 177.380 176.000 -0.589 0.000 0.933 191 Q CA 0.460 56.111 55.803 -0.253 0.000 0.939 191 Q CB -0.199 28.536 28.738 -0.005 0.000 1.044 191 Q HN 0.751 nan 8.270 nan 0.000 0.513 192 W N 0.023 120.698 121.300 -1.040 0.000 2.308 192 W HA -0.157 4.504 4.660 0.001 0.000 0.301 192 W C 1.283 177.596 176.519 -0.343 0.000 1.220 192 W CA 1.241 57.896 57.345 -1.150 0.000 1.240 192 W CB -1.357 27.577 29.460 -0.877 0.000 1.142 192 W HN 0.088 nan 8.180 nan 0.000 0.521 193 G N 1.305 109.488 108.800 -1.029 0.000 2.484 193 G HA2 -0.162 3.799 3.960 0.001 0.000 0.218 193 G HA3 -0.162 3.799 3.960 0.001 0.000 0.218 193 G C 0.831 175.552 174.900 -0.298 0.000 1.130 193 G CA 0.084 44.650 45.100 -0.890 0.000 0.784 193 G HN 0.189 nan 8.290 nan 0.000 0.543 194 K N 0.243 120.558 120.400 -0.142 0.000 2.296 194 K HA 0.476 4.797 4.320 0.001 0.000 0.257 194 K C -1.591 175.132 176.600 0.206 0.000 1.088 194 K CA -0.440 55.870 56.287 0.037 0.000 0.980 194 K CB 1.164 33.706 32.500 0.071 0.000 1.430 194 K HN 0.099 nan 8.250 nan 0.000 0.441 195 L N 2.481 123.800 121.223 0.160 0.000 2.528 195 L HA 0.201 4.542 4.340 0.001 0.000 0.267 195 L C -1.279 175.602 176.870 0.019 0.000 0.961 195 L CA -0.496 54.449 54.840 0.175 0.000 0.866 195 L CB 1.940 44.175 42.059 0.293 0.000 1.248 195 L HN 0.344 nan 8.230 nan 0.000 0.404 196 Q N 3.103 122.869 119.800 -0.057 0.000 2.307 196 Q HA 0.523 4.864 4.340 0.001 0.000 0.259 196 Q C -1.467 174.238 176.000 -0.490 0.000 0.998 196 Q CA -0.008 55.601 55.803 -0.324 0.000 0.923 196 Q CB 1.163 29.637 28.738 -0.440 0.000 1.196 196 Q HN 0.529 nan 8.270 nan 0.000 0.416 197 V N 6.441 126.067 119.914 -0.480 0.000 2.350 197 V HA 0.381 4.502 4.120 0.001 0.000 0.276 197 V C -0.659 175.103 176.094 -0.553 0.000 1.028 197 V CA -0.512 61.552 62.300 -0.393 0.000 0.860 197 V CB 0.297 32.000 31.823 -0.199 0.000 0.990 197 V HN 0.641 nan 8.190 nan 0.000 0.453 198 F N 2.648 122.489 119.950 -0.181 0.000 2.410 198 F HA 0.376 4.904 4.527 0.001 0.000 0.349 198 F C 0.552 176.207 175.800 -0.241 0.000 1.117 198 F CA -0.807 57.082 58.000 -0.184 0.000 1.104 198 F CB 0.919 39.825 39.000 -0.156 0.000 1.122 198 F HN 0.394 nan 8.300 nan 0.000 0.483 199 D N 2.931 123.306 120.400 -0.041 0.000 2.339 199 D HA 0.410 5.051 4.640 0.001 0.000 0.241 199 D C 0.011 176.162 176.300 -0.248 0.000 1.183 199 D CA 0.077 53.986 54.000 -0.152 0.000 0.859 199 D CB 1.229 41.975 40.800 -0.089 0.000 1.067 199 D HN 0.635 nan 8.370 nan 0.000 0.484 200 A N 4.530 127.037 122.820 -0.522 0.000 2.631 200 A HA 0.166 4.486 4.320 0.001 0.000 0.294 200 A C 1.539 178.795 177.584 -0.546 0.000 1.156 200 A CA -0.380 51.080 52.037 -0.962 0.000 0.963 200 A CB 0.093 18.031 19.000 -1.769 0.000 1.202 200 A HN 0.539 nan 8.150 nan 0.000 0.523 201 R N 1.041 121.369 120.500 -0.286 0.000 2.235 201 R HA -0.038 4.303 4.340 0.001 0.000 0.213 201 R C -0.476 175.769 176.300 -0.091 0.000 1.059 201 R CA 0.878 56.890 56.100 -0.148 0.000 0.997 201 R CB -0.054 30.220 30.300 -0.044 0.000 0.884 201 R HN 0.610 nan 8.270 nan 0.000 0.462 202 D N 0.405 120.770 120.400 -0.059 0.000 2.453 202 D HA 0.111 4.752 4.640 0.001 0.000 0.223 202 D C -0.673 175.671 176.300 0.073 0.000 1.183 202 D CA -0.310 53.707 54.000 0.028 0.000 0.933 202 D CB 0.538 41.382 40.800 0.072 0.000 1.038 202 D HN -0.064 nan 8.370 nan 0.000 0.513 203 C N 2.015 121.347 119.300 0.054 0.000 2.931 203 C HA 0.540 5.001 4.460 0.001 0.000 0.370 203 C C 0.296 175.413 174.990 0.213 0.000 1.071 203 C CA -0.147 58.946 59.018 0.125 0.000 1.266 203 C CB 1.050 28.816 27.740 0.045 0.000 1.691 203 C HN 0.669 nan 8.230 nan 0.000 0.511 204 S N 1.785 117.659 115.700 0.290 0.000 2.893 204 S HA 0.419 4.890 4.470 0.001 0.000 0.258 204 S C -0.115 174.643 174.600 0.264 0.000 1.034 204 S CA 0.454 58.852 58.200 0.330 0.000 1.167 204 S CB -0.073 63.248 63.200 0.202 0.000 1.137 204 S HN 1.697 nan 8.310 nan 0.000 0.650 205 S N -0.316 115.547 115.700 0.271 0.000 2.579 205 S HA 0.827 5.297 4.470 0.001 0.000 0.272 205 S C 0.878 175.582 174.600 0.173 0.000 1.141 205 S CA -0.299 58.008 58.200 0.178 0.000 0.843 205 S CB 1.042 64.325 63.200 0.139 0.000 1.122 205 S HN 0.602 nan 8.310 nan 0.000 0.468 206 A N 0.997 123.894 122.820 0.128 0.000 1.933 206 A HA -0.062 4.259 4.320 0.001 0.000 0.218 206 A C 2.141 179.703 177.584 -0.036 0.000 1.175 206 A CA 1.426 53.519 52.037 0.094 0.000 0.628 206 A CB -0.951 18.177 19.000 0.214 0.000 0.814 206 A HN 0.759 nan 8.150 nan 0.000 0.444 207 Q N -0.006 119.845 119.800 0.086 0.000 2.077 207 Q HA -0.225 4.116 4.340 0.001 0.000 0.206 207 Q C 1.930 177.931 176.000 0.002 0.000 0.989 207 Q CA 2.138 57.950 55.803 0.015 0.000 0.853 207 Q CB -0.389 28.445 28.738 0.159 0.000 0.907 207 Q HN 0.831 nan 8.270 nan 0.000 0.418 208 E N -0.287 119.971 120.200 0.096 0.000 2.110 208 E HA -0.149 4.202 4.350 0.001 0.000 0.193 208 E C 2.156 178.931 176.600 0.293 0.000 0.988 208 E CA 0.859 57.365 56.400 0.177 0.000 0.804 208 E CB -0.147 29.702 29.700 0.248 0.000 0.745 208 E HN 0.358 nan 8.360 nan 0.000 0.458 209 M N 0.027 119.737 119.600 0.184 0.000 2.082 209 M HA -0.194 4.287 4.480 0.001 0.000 0.258 209 M C 2.253 178.635 176.300 0.137 0.000 1.069 209 M CA 1.459 56.830 55.300 0.119 0.000 1.102 209 M CB -0.378 32.085 32.600 -0.228 0.000 1.336 209 M HN 0.122 nan 8.290 nan 0.000 0.404 210 F N 1.234 121.011 119.950 -0.289 0.000 2.134 210 F HA -0.166 4.362 4.527 0.001 0.000 0.299 210 F C 2.336 178.035 175.800 -0.169 0.000 1.097 210 F CA 1.750 59.517 58.000 -0.387 0.000 1.264 210 F CB -0.735 37.704 39.000 -0.936 0.000 1.001 210 F HN 0.063 nan 8.300 nan 0.000 0.479 211 T N -0.449 113.985 114.554 -0.200 0.000 2.684 211 T HA -0.256 4.095 4.350 0.001 0.000 0.267 211 T C 1.735 176.255 174.700 -0.300 0.000 1.036 211 T CA 2.009 63.925 62.100 -0.306 0.000 1.148 211 T CB -0.821 67.908 68.868 -0.232 0.000 0.863 211 T HN 0.291 nan 8.240 nan 0.000 0.436 212 Y N 0.895 121.121 120.300 -0.123 0.000 2.207 212 Y HA -0.036 4.515 4.550 0.001 0.000 0.287 212 Y C 2.221 178.038 175.900 -0.139 0.000 1.156 212 Y CA 0.685 58.711 58.100 -0.123 0.000 1.182 212 Y CB -0.565 37.892 38.460 -0.005 0.000 0.979 212 Y HN 0.193 nan 8.280 nan 0.000 0.521 213 I N -1.628 118.980 120.570 0.064 0.000 2.252 213 I HA -0.328 3.842 4.170 0.001 0.000 0.245 213 I C 2.219 178.243 176.117 -0.155 0.000 1.102 213 I CA 0.898 62.185 61.300 -0.022 0.000 1.385 213 I CB -0.446 37.554 38.000 -0.001 0.000 1.064 213 I HN 0.261 nan 8.210 nan 0.000 0.414 214 C N 0.268 119.350 119.300 -0.363 0.000 2.425 214 C HA -0.123 4.338 4.460 0.001 0.000 0.277 214 C C 2.583 177.451 174.990 -0.203 0.000 1.280 214 C CA 0.975 59.784 59.018 -0.348 0.000 1.744 214 C CB -1.441 25.977 27.740 -0.537 0.000 1.989 214 C HN 0.529 nan 8.230 nan 0.000 0.491 215 N N -0.324 118.239 118.700 -0.229 0.000 2.216 215 N HA -0.102 4.638 4.740 0.001 0.000 0.183 215 N C 1.477 176.852 175.510 -0.225 0.000 1.017 215 N CA 1.189 54.097 53.050 -0.237 0.000 0.861 215 N CB -0.441 37.838 38.487 -0.347 0.000 0.986 215 N HN 0.720 nan 8.380 nan 0.000 0.428 216 H N 0.159 119.031 119.070 -0.330 0.000 2.251 216 H HA -0.063 4.494 4.556 0.001 0.000 0.294 216 H C 1.964 177.293 175.328 0.002 0.000 1.078 216 H CA 2.289 58.218 56.048 -0.198 0.000 1.246 216 H CB -0.224 29.479 29.762 -0.098 0.000 1.358 216 H HN 0.132 nan 8.280 nan 0.000 0.488 217 I N 0.635 121.346 120.570 0.235 0.000 2.145 217 I HA -0.350 3.821 4.170 0.001 0.000 0.244 217 I C 2.727 178.910 176.117 0.110 0.000 1.075 217 I CA 1.779 63.175 61.300 0.160 0.000 1.332 217 I CB -0.389 37.632 38.000 0.035 0.000 1.033 217 I HN 0.378 nan 8.210 nan 0.000 0.410 218 K N 0.465 120.898 120.400 0.055 0.000 2.002 218 K HA -0.270 4.051 4.320 0.001 0.000 0.209 218 K C 2.435 179.082 176.600 0.079 0.000 1.048 218 K CA 1.953 58.264 56.287 0.040 0.000 0.930 218 K CB -0.401 32.100 32.500 0.002 0.000 0.714 218 K HN 0.271 nan 8.250 nan 0.000 0.438 219 Y N 0.900 121.196 120.300 -0.006 0.000 2.145 219 Y HA -0.240 4.311 4.550 0.001 0.000 0.286 219 Y C 2.038 177.981 175.900 0.072 0.000 1.145 219 Y CA 1.932 60.059 58.100 0.044 0.000 1.148 219 Y CB -0.417 38.104 38.460 0.102 0.000 0.981 219 Y HN 0.201 nan 8.280 nan 0.000 0.507 220 A N -0.674 122.270 122.820 0.207 0.000 1.902 220 A HA -0.179 4.142 4.320 0.001 0.000 0.217 220 A C 2.200 179.832 177.584 0.080 0.000 1.181 220 A CA 2.308 54.444 52.037 0.165 0.000 0.623 220 A CB -1.285 17.873 19.000 0.263 0.000 0.818 220 A HN 0.526 nan 8.150 nan 0.000 0.443 221 T N -0.431 114.168 114.554 0.075 0.000 2.812 221 T HA -0.061 4.290 4.350 0.001 0.000 0.264 221 T C 0.971 175.676 174.700 0.008 0.000 1.042 221 T CA 0.745 62.884 62.100 0.065 0.000 1.140 221 T CB -0.488 68.416 68.868 0.061 0.000 0.870 221 T HN 0.710 nan 8.240 nan 0.000 0.445 222 N N 1.284 119.959 118.700 -0.041 0.000 2.686 222 N HA -0.276 4.465 4.740 0.001 0.000 0.261 222 N C -0.518 174.964 175.510 -0.048 0.000 1.001 222 N CA 0.221 53.222 53.050 -0.082 0.000 0.764 222 N CB -0.488 37.901 38.487 -0.163 0.000 0.898 222 N HN 0.418 nan 8.380 nan 0.000 0.544 223 R N -1.706 118.778 120.500 -0.025 0.000 3.741 223 R HA -0.270 4.071 4.340 0.001 0.000 0.292 223 R C 1.285 177.573 176.300 -0.021 0.000 1.176 223 R CA 1.234 57.322 56.100 -0.021 0.000 0.794 223 R CB -1.933 28.351 30.300 -0.027 0.000 1.213 223 R HN 0.873 nan 8.270 nan 0.000 0.494 224 G N -0.192 108.603 108.800 -0.008 0.000 2.259 224 G HA2 -0.337 3.624 3.960 0.001 0.000 0.217 224 G HA3 -0.337 3.624 3.960 0.001 0.000 0.217 224 G C -0.085 174.808 174.900 -0.011 0.000 1.001 224 G CA 0.059 45.157 45.100 -0.003 0.000 0.627 224 G HN 0.493 nan 8.290 nan 0.000 0.501 225 N N 1.391 120.068 118.700 -0.037 0.000 2.663 225 N HA 0.417 5.157 4.740 0.001 0.000 0.250 225 N C 0.049 175.524 175.510 -0.059 0.000 1.129 225 N CA -0.664 52.344 53.050 -0.069 0.000 0.995 225 N CB -0.038 38.402 38.487 -0.079 0.000 1.324 225 N HN 0.110 nan 8.380 nan 0.000 0.512 226 L N 2.785 123.992 121.223 -0.027 0.000 2.456 226 L HA 0.179 4.520 4.340 0.001 0.000 0.272 226 L C 0.639 177.609 176.870 0.168 0.000 1.189 226 L CA 0.688 55.590 54.840 0.104 0.000 0.846 226 L CB 0.474 42.693 42.059 0.266 0.000 1.111 226 L HN 0.436 nan 8.230 nan 0.000 0.475 227 R N 1.405 122.026 120.500 0.202 0.000 2.532 227 R HA 0.443 4.784 4.340 0.001 0.000 0.297 227 R C -0.616 175.867 176.300 0.304 0.000 0.984 227 R CA -0.641 55.606 56.100 0.245 0.000 0.884 227 R CB 1.558 31.861 30.300 0.005 0.000 1.182 227 R HN 0.587 nan 8.270 nan 0.000 0.442 228 S N 1.523 117.419 115.700 0.326 0.000 2.560 228 S HA 0.435 4.906 4.470 0.001 0.000 0.284 228 S C -0.074 174.608 174.600 0.136 0.000 1.327 228 S CA -0.233 58.047 58.200 0.135 0.000 1.055 228 S CB 1.151 64.365 63.200 0.024 0.000 0.868 228 S HN 0.729 nan 8.310 nan 0.000 0.506 229 A N 2.293 125.160 122.820 0.078 0.000 2.612 229 A HA 0.801 5.121 4.320 0.001 0.000 0.293 229 A C -1.303 176.364 177.584 0.138 0.000 1.075 229 A CA -0.686 51.363 52.037 0.021 0.000 0.680 229 A CB 1.155 20.131 19.000 -0.040 0.000 1.279 229 A HN 0.805 nan 8.150 nan 0.000 0.411 230 I N 0.414 121.061 120.570 0.129 0.000 2.686 230 I HA 0.650 4.821 4.170 0.001 0.000 0.295 230 I C -1.042 175.231 176.117 0.261 0.000 1.114 230 I CA -0.153 61.330 61.300 0.304 0.000 1.038 230 I CB 2.404 40.530 38.000 0.209 0.000 1.238 230 I HN 0.605 nan 8.210 nan 0.000 0.420 231 T N 6.265 121.007 114.554 0.314 0.000 2.779 231 T HA 0.462 4.813 4.350 0.001 0.000 0.280 231 T C -0.739 173.829 174.700 -0.221 0.000 0.987 231 T CA -0.350 61.792 62.100 0.070 0.000 0.966 231 T CB 1.490 70.419 68.868 0.101 0.000 0.933 231 T HN 0.264 nan 8.240 nan 0.000 0.442 232 V N 5.143 124.839 119.914 -0.364 0.000 2.347 232 V HA 0.503 4.624 4.120 0.001 0.000 0.280 232 V C -0.466 175.311 176.094 -0.529 0.000 1.021 232 V CA -0.762 61.315 62.300 -0.372 0.000 0.847 232 V CB 0.263 31.835 31.823 -0.418 0.000 0.990 232 V HN 0.722 nan 8.190 nan 0.000 0.444 233 F N 5.246 125.119 119.950 -0.129 0.000 2.410 233 F HA 0.574 5.101 4.527 0.001 0.000 0.324 233 F C -1.921 173.799 175.800 -0.134 0.000 1.093 233 F CA -2.537 55.318 58.000 -0.241 0.000 1.028 233 F CB 0.442 39.282 39.000 -0.267 0.000 1.309 233 F HN 0.294 nan 8.300 nan 0.000 0.499 234 P HA 0.060 nan 4.420 nan 0.000 0.269 234 P C -1.094 176.243 177.300 0.061 0.000 1.209 234 P CA -0.465 62.587 63.100 -0.081 0.000 0.776 234 P CB 0.290 31.803 31.700 -0.313 0.000 0.876 235 Q N 2.840 122.619 119.800 -0.036 0.000 2.524 235 Q HA 0.130 4.471 4.340 0.001 0.000 0.246 235 Q C -0.166 175.747 176.000 -0.145 0.000 1.063 235 Q CA -0.334 55.214 55.803 -0.425 0.000 0.945 235 Q CB 0.382 28.627 28.738 -0.821 0.000 1.292 235 Q HN 0.343 nan 8.270 nan 0.000 0.518 236 R N 0.040 120.425 120.500 -0.193 0.000 2.643 236 R HA 0.402 4.743 4.340 0.001 0.000 0.270 236 R C -0.599 175.647 176.300 -0.090 0.000 1.061 236 R CA 0.204 56.259 56.100 -0.076 0.000 1.107 236 R CB 0.303 30.549 30.300 -0.090 0.000 0.999 236 R HN 0.706 nan 8.270 nan 0.000 0.460 237 A N 3.768 126.572 122.820 -0.028 0.000 2.355 237 A HA 0.434 4.754 4.320 0.001 0.000 0.317 237 A C -1.570 175.999 177.584 -0.024 0.000 1.094 237 A CA -1.677 50.343 52.037 -0.028 0.000 0.764 237 A CB 1.278 20.286 19.000 0.014 0.000 1.230 237 A HN 0.495 nan 8.150 nan 0.000 0.448 238 P HA -0.157 nan 4.420 nan 0.000 0.216 238 P C 1.078 178.371 177.300 -0.011 0.000 1.154 238 P CA 2.039 65.126 63.100 -0.021 0.000 0.865 238 P CB 0.061 31.751 31.700 -0.018 0.000 0.789 239 G N 0.139 108.937 108.800 -0.003 0.000 3.709 239 G HA2 0.335 4.296 3.960 0.001 0.000 0.272 239 G HA3 0.335 4.296 3.960 0.001 0.000 0.272 239 G C 0.209 175.109 174.900 0.001 0.000 1.259 239 G CA -0.318 44.783 45.100 0.001 0.000 1.512 239 G HN 0.488 nan 8.290 nan 0.000 0.625 240 R N -2.254 118.243 120.500 -0.005 0.000 3.176 240 R HA 0.432 4.772 4.340 0.001 0.000 0.284 240 R C 0.048 176.336 176.300 -0.019 0.000 0.985 240 R CA -0.573 55.519 56.100 -0.013 0.000 0.853 240 R CB -0.208 30.084 30.300 -0.014 0.000 1.309 240 R HN 0.186 nan 8.270 nan 0.000 0.528 241 G N 0.472 109.253 108.800 -0.031 0.000 2.667 241 G HA2 0.297 4.258 3.960 0.001 0.000 0.250 241 G HA3 0.297 4.258 3.960 0.001 0.000 0.250 241 G C -0.849 174.021 174.900 -0.050 0.000 1.212 241 G CA -0.331 44.749 45.100 -0.032 0.000 0.874 241 G HN 0.586 nan 8.290 nan 0.000 0.561 242 D N -0.579 119.810 120.400 -0.020 0.000 2.253 242 D HA 0.315 4.955 4.640 0.001 0.000 0.249 242 D C -0.060 176.236 176.300 -0.007 0.000 1.049 242 D CA -0.062 53.956 54.000 0.030 0.000 0.929 242 D CB 1.049 41.889 40.800 0.067 0.000 1.176 242 D HN 0.115 nan 8.370 nan 0.000 0.437 243 F N 1.308 121.276 119.950 0.030 0.000 2.495 243 F HA 0.221 4.749 4.527 0.001 0.000 0.365 243 F C 1.233 177.048 175.800 0.025 0.000 1.090 243 F CA 0.263 58.268 58.000 0.008 0.000 1.235 243 F CB 0.469 39.458 39.000 -0.018 0.000 1.119 243 F HN -0.193 nan 8.300 nan 0.000 0.562 244 R N 3.564 124.183 120.500 0.199 0.000 2.626 244 R HA 0.473 4.814 4.340 0.001 0.000 0.274 244 R C -1.215 175.212 176.300 0.210 0.000 1.031 244 R CA -0.830 55.391 56.100 0.202 0.000 0.898 244 R CB 2.113 32.559 30.300 0.243 0.000 1.222 244 R HN 0.613 nan 8.270 nan 0.000 0.455 245 I N 2.304 122.980 120.570 0.177 0.000 2.304 245 I HA 0.144 4.314 4.170 0.001 0.000 0.291 245 I C 0.636 176.943 176.117 0.317 0.000 1.018 245 I CA -0.437 60.973 61.300 0.183 0.000 1.260 245 I CB 0.951 39.001 38.000 0.082 0.000 1.390 245 I HN 0.510 nan 8.210 nan 0.000 0.475 246 W N 3.700 125.022 121.300 0.036 0.000 2.379 246 W HA -0.100 4.561 4.660 0.002 0.000 0.307 246 W C 1.055 177.635 176.519 0.102 0.000 1.200 246 W CA 0.277 57.688 57.345 0.110 0.000 1.297 246 W CB -0.848 28.617 29.460 0.008 0.000 1.140 246 W HN 0.412 nan 8.180 nan 0.000 0.507 247 N N 0.288 119.121 118.700 0.222 0.000 2.407 247 N HA -0.017 4.723 4.740 0.001 0.000 0.250 247 N C 1.201 176.762 175.510 0.084 0.000 1.236 247 N CA 0.974 54.082 53.050 0.097 0.000 0.879 247 N CB 0.590 39.079 38.487 0.003 0.000 1.088 247 N HN -0.054 nan 8.380 nan 0.000 0.450 248 S N 0.473 116.216 115.700 0.071 0.000 2.496 248 S HA 0.032 4.503 4.470 0.001 0.000 0.224 248 S C 0.400 174.995 174.600 -0.009 0.000 0.996 248 S CA 0.389 58.621 58.200 0.052 0.000 0.927 248 S CB 0.186 63.434 63.200 0.081 0.000 0.774 248 S HN 0.631 nan 8.310 nan 0.000 0.524 249 Q N -0.682 119.098 119.800 -0.032 0.000 2.495 249 Q HA 0.514 4.855 4.340 0.001 0.000 0.287 249 Q C 0.120 176.035 176.000 -0.142 0.000 1.078 249 Q CA -0.594 55.151 55.803 -0.096 0.000 0.793 249 Q CB 1.929 30.635 28.738 -0.053 0.000 1.459 249 Q HN 0.140 nan 8.270 nan 0.000 0.422 250 L N 0.092 121.201 121.223 -0.191 0.000 2.156 250 L HA 0.072 4.413 4.340 0.001 0.000 0.208 250 L C 0.348 177.057 176.870 -0.269 0.000 1.095 250 L CA 0.674 55.400 54.840 -0.190 0.000 0.770 250 L CB 0.264 42.212 42.059 -0.186 0.000 0.914 250 L HN 0.241 nan 8.230 nan 0.000 0.439 251 V N 1.277 120.919 119.914 -0.453 0.000 2.357 251 V HA 0.434 4.555 4.120 0.001 0.000 0.284 251 V C -0.192 175.403 176.094 -0.831 0.000 1.018 251 V CA -0.636 61.217 62.300 -0.745 0.000 0.841 251 V CB 1.445 32.549 31.823 -1.198 0.000 0.991 251 V HN 0.170 nan 8.190 nan 0.000 0.437 252 R N 3.004 123.187 120.500 -0.528 0.000 2.621 252 R HA 0.467 4.808 4.340 0.001 0.000 0.284 252 R C -1.720 174.446 176.300 -0.224 0.000 0.998 252 R CA -0.803 55.111 56.100 -0.310 0.000 0.895 252 R CB 2.436 32.659 30.300 -0.128 0.000 1.195 252 R HN 0.556 nan 8.270 nan 0.000 0.450 253 Y N 0.919 121.248 120.300 0.047 0.000 2.365 253 Y HA 0.292 4.842 4.550 0.001 0.000 0.340 253 Y C 1.033 176.929 175.900 -0.007 0.000 1.016 253 Y CA -0.704 57.435 58.100 0.066 0.000 1.196 253 Y CB 0.865 39.427 38.460 0.170 0.000 1.167 253 Y HN 0.658 nan 8.280 nan 0.000 0.509 254 A N 2.655 125.533 122.820 0.097 0.000 2.555 254 A HA 0.425 4.746 4.320 0.001 0.000 0.233 254 A C 0.815 178.201 177.584 -0.330 0.000 1.060 254 A CA 0.533 52.471 52.037 -0.166 0.000 0.759 254 A CB -0.202 18.653 19.000 -0.242 0.000 0.995 254 A HN 0.952 nan 8.150 nan 0.000 0.506 255 G N 0.799 109.375 108.800 -0.373 0.000 2.675 255 G HA2 0.548 4.509 3.960 0.001 0.000 0.297 255 G HA3 0.548 4.509 3.960 0.001 0.000 0.297 255 G C -1.110 173.621 174.900 -0.281 0.000 1.399 255 G CA -0.296 44.631 45.100 -0.288 0.000 0.981 255 G HN 0.497 nan 8.290 nan 0.000 0.519 256 Y N 1.008 121.332 120.300 0.040 0.000 2.330 256 Y HA 0.546 5.096 4.550 0.001 0.000 0.336 256 Y C 0.737 176.646 175.900 0.014 0.000 1.036 256 Y CA -1.266 56.855 58.100 0.036 0.000 1.125 256 Y CB 1.684 40.160 38.460 0.027 0.000 1.194 256 Y HN 0.475 nan 8.280 nan 0.000 0.469 257 R N 2.353 122.959 120.500 0.176 0.000 2.296 257 R HA 0.218 4.559 4.340 0.001 0.000 0.323 257 R C -0.717 175.632 176.300 0.081 0.000 1.067 257 R CA -0.223 55.935 56.100 0.097 0.000 0.946 257 R CB 0.075 30.419 30.300 0.073 0.000 0.991 257 R HN 0.611 nan 8.270 nan 0.000 0.448 258 Q N 1.358 121.193 119.800 0.059 0.000 2.212 258 Q HA 0.098 4.439 4.340 0.001 0.000 0.238 258 Q C 0.789 176.801 176.000 0.020 0.000 0.955 258 Q CA -0.089 55.736 55.803 0.035 0.000 0.906 258 Q CB 1.479 30.235 28.738 0.030 0.000 1.215 258 Q HN 0.667 nan 8.270 nan 0.000 0.478 259 Q N 0.643 120.448 119.800 0.009 0.000 2.082 259 Q HA -0.289 4.052 4.340 0.001 0.000 0.211 259 Q C 0.569 176.572 176.000 0.005 0.000 1.002 259 Q CA 2.277 58.082 55.803 0.004 0.000 0.868 259 Q CB -0.454 28.282 28.738 -0.003 0.000 0.931 259 Q HN 0.748 nan 8.270 nan 0.000 0.414 260 D N -0.874 119.529 120.400 0.005 0.000 2.363 260 D HA 0.052 4.693 4.640 0.001 0.000 0.226 260 D C 1.169 177.473 176.300 0.007 0.000 1.020 260 D CA 0.814 54.817 54.000 0.004 0.000 0.892 260 D CB 0.179 40.979 40.800 0.001 0.000 0.900 260 D HN 0.650 nan 8.370 nan 0.000 0.531 261 G N 0.502 109.309 108.800 0.012 0.000 2.175 261 G HA2 -0.291 3.670 3.960 0.001 0.000 0.244 261 G HA3 -0.291 3.670 3.960 0.001 0.000 0.244 261 G C 0.421 175.330 174.900 0.015 0.000 0.982 261 G CA 0.410 45.520 45.100 0.016 0.000 0.641 261 G HN 0.765 nan 8.290 nan 0.000 0.527 262 S N -0.985 114.721 115.700 0.011 0.000 2.645 262 S HA 0.726 5.197 4.470 0.001 0.000 0.266 262 S C 0.051 174.658 174.600 0.011 0.000 1.258 262 S CA -0.140 58.063 58.200 0.005 0.000 0.990 262 S CB 2.434 65.633 63.200 -0.001 0.000 0.967 262 S HN 1.036 nan 8.310 nan 0.000 0.556 263 V N 1.659 121.570 119.914 -0.004 0.000 2.409 263 V HA 0.478 4.599 4.120 0.001 0.000 0.291 263 V C 0.237 176.319 176.094 -0.020 0.000 1.020 263 V CA -0.745 61.551 62.300 -0.007 0.000 0.848 263 V CB 1.156 32.956 31.823 -0.037 0.000 0.990 263 V HN 0.922 nan 8.190 nan 0.000 0.430 264 R N 3.364 123.889 120.500 0.041 0.000 2.308 264 R HA 0.634 4.975 4.340 0.001 0.000 0.305 264 R C 0.729 177.032 176.300 0.005 0.000 1.053 264 R CA 1.087 57.221 56.100 0.057 0.000 0.957 264 R CB 0.821 31.214 30.300 0.156 0.000 1.022 264 R HN 1.125 nan 8.270 nan 0.000 0.461 265 G N 2.930 111.659 108.800 -0.118 0.000 2.466 265 G HA2 -0.248 3.713 3.960 0.001 0.000 0.218 265 G HA3 -0.248 3.713 3.960 0.001 0.000 0.218 265 G C -1.331 173.288 174.900 -0.469 0.000 1.237 265 G CA -0.081 44.886 45.100 -0.222 0.000 0.954 265 G HN 0.653 nan 8.290 nan 0.000 0.580 266 D N 1.544 121.770 120.400 -0.290 0.000 2.359 266 D HA 0.572 5.213 4.640 0.001 0.000 0.230 266 D C -1.117 175.101 176.300 -0.138 0.000 1.118 266 D CA -2.035 51.788 54.000 -0.295 0.000 0.844 266 D CB 1.560 42.496 40.800 0.228 0.000 1.059 266 D HN 0.010 nan 8.370 nan 0.000 0.493 267 P HA 0.022 nan 4.420 nan 0.000 0.230 267 P C 0.802 178.117 177.300 0.024 0.000 1.158 267 P CA 0.454 63.525 63.100 -0.048 0.000 0.769 267 P CB 0.261 31.941 31.700 -0.033 0.000 0.807 268 A N 0.039 122.896 122.820 0.061 0.000 2.119 268 A HA -0.073 4.248 4.320 0.001 0.000 0.217 268 A C 1.304 178.941 177.584 0.089 0.000 1.153 268 A CA 1.031 53.126 52.037 0.097 0.000 0.692 268 A CB -0.758 18.333 19.000 0.151 0.000 0.799 268 A HN 0.151 nan 8.150 nan 0.000 0.458 269 N N -0.048 118.694 118.700 0.069 0.000 2.458 269 N HA 0.201 4.942 4.740 0.001 0.000 0.274 269 N C 0.816 176.331 175.510 0.010 0.000 1.242 269 N CA 0.069 53.148 53.050 0.048 0.000 0.904 269 N CB 0.786 39.301 38.487 0.046 0.000 1.206 269 N HN 0.183 nan 8.380 nan 0.000 0.510 270 V N 0.544 120.469 119.914 0.019 0.000 2.255 270 V HA -0.194 3.926 4.120 0.001 0.000 0.243 270 V C 2.402 178.509 176.094 0.022 0.000 1.038 270 V CA 1.544 63.853 62.300 0.014 0.000 1.008 270 V CB -0.390 31.449 31.823 0.027 0.000 0.645 270 V HN 0.346 nan 8.190 nan 0.000 0.449 271 E N -0.089 120.134 120.200 0.038 0.000 2.068 271 E HA -0.331 4.020 4.350 0.001 0.000 0.207 271 E C 2.082 178.654 176.600 -0.046 0.000 1.032 271 E CA 2.433 58.849 56.400 0.027 0.000 0.839 271 E CB -0.279 29.485 29.700 0.106 0.000 0.758 271 E HN 0.463 nan 8.360 nan 0.000 0.457 272 I N 0.518 121.062 120.570 -0.043 0.000 2.394 272 I HA -0.184 3.987 4.170 0.001 0.000 0.251 272 I C 2.046 178.120 176.117 -0.072 0.000 1.136 272 I CA 1.538 62.782 61.300 -0.094 0.000 1.425 272 I CB -0.436 37.536 38.000 -0.046 0.000 1.079 272 I HN 0.119 nan 8.210 nan 0.000 0.425 273 T N 0.370 114.904 114.554 -0.034 0.000 2.652 273 T HA -0.198 4.152 4.350 0.001 0.000 0.267 273 T C 1.781 176.543 174.700 0.104 0.000 1.039 273 T CA 1.950 64.062 62.100 0.021 0.000 1.153 273 T CB -0.261 68.609 68.868 0.003 0.000 0.863 273 T HN 0.458 nan 8.240 nan 0.000 0.428 274 E N 0.519 120.760 120.200 0.069 0.000 2.106 274 E HA -0.037 4.314 4.350 0.001 0.000 0.192 274 E C 2.246 178.880 176.600 0.056 0.000 0.984 274 E CA 0.659 57.107 56.400 0.080 0.000 0.806 274 E CB -0.256 29.475 29.700 0.051 0.000 0.750 274 E HN 0.419 nan 8.360 nan 0.000 0.458 275 L N 0.293 121.516 121.223 -0.001 0.000 2.012 275 L HA -0.271 4.070 4.340 0.001 0.000 0.210 275 L C 2.638 179.573 176.870 0.108 0.000 1.073 275 L CA 0.997 55.854 54.840 0.028 0.000 0.748 275 L CB -0.594 41.400 42.059 -0.107 0.000 0.891 275 L HN 0.329 nan 8.230 nan 0.000 0.431 276 C N -0.014 119.307 119.300 0.035 0.000 2.413 276 C HA -0.162 4.299 4.460 0.001 0.000 0.276 276 C C 2.741 177.865 174.990 0.222 0.000 1.248 276 C CA 0.444 59.480 59.018 0.029 0.000 1.742 276 C CB -0.755 26.883 27.740 -0.170 0.000 2.017 276 C HN 0.420 nan 8.230 nan 0.000 0.481 277 I N 0.334 121.078 120.570 0.289 0.000 2.142 277 I HA -0.276 3.895 4.170 0.001 0.000 0.240 277 I C 2.834 179.019 176.117 0.114 0.000 1.078 277 I CA 1.671 63.123 61.300 0.253 0.000 1.343 277 I CB -0.920 37.201 38.000 0.201 0.000 1.046 277 I HN 0.436 nan 8.210 nan 0.000 0.405 278 Q N 0.623 120.458 119.800 0.058 0.000 2.197 278 Q HA -0.263 4.078 4.340 0.001 0.000 0.207 278 Q C 1.289 177.186 176.000 -0.171 0.000 0.984 278 Q CA 1.847 57.613 55.803 -0.063 0.000 0.869 278 Q CB -0.083 28.598 28.738 -0.095 0.000 0.906 278 Q HN 0.631 nan 8.270 nan 0.000 0.426 279 H N -2.267 116.779 119.070 -0.040 0.000 2.519 279 H HA 0.238 4.795 4.556 0.001 0.000 0.289 279 H C 0.745 176.033 175.328 -0.067 0.000 1.040 279 H CA 0.583 56.578 56.048 -0.089 0.000 1.165 279 H CB 0.950 30.604 29.762 -0.180 0.000 1.462 279 H HN 0.466 nan 8.280 nan 0.000 0.555 280 G N -0.457 108.382 108.800 0.065 0.000 2.380 280 G HA2 -0.245 3.716 3.960 0.001 0.000 0.197 280 G HA3 -0.245 3.716 3.960 0.001 0.000 0.197 280 G C -0.121 174.841 174.900 0.104 0.000 1.001 280 G CA -0.437 44.690 45.100 0.044 0.000 0.668 280 G HN 0.297 nan 8.290 nan 0.000 0.483 281 W N 4.011 125.282 121.300 -0.048 0.000 2.347 281 W HA 0.543 5.204 4.660 0.001 0.000 0.333 281 W C 0.375 176.884 176.519 -0.015 0.000 1.383 281 W CA 0.923 58.246 57.345 -0.036 0.000 1.283 281 W CB 0.386 29.833 29.460 -0.022 0.000 1.253 281 W HN 0.081 nan 8.180 nan 0.000 0.563 282 T N 9.857 124.182 114.554 -0.382 0.000 2.749 282 T HA 0.258 4.609 4.350 0.001 0.000 0.295 282 T C -2.031 171.970 174.700 -1.165 0.000 0.936 282 T CA -0.900 60.881 62.100 -0.531 0.000 1.060 282 T CB 0.794 69.475 68.868 -0.312 0.000 0.904 282 T HN 0.256 nan 8.240 nan 0.000 0.500 283 P HA 0.490 nan 4.420 nan 0.000 0.283 283 P C 0.307 177.213 177.300 -0.657 0.000 1.278 283 P CA -0.473 61.860 63.100 -1.279 0.000 0.834 283 P CB 1.133 32.515 31.700 -0.530 0.000 1.150 284 G N 0.448 109.034 108.800 -0.356 0.000 2.641 284 G HA2 0.386 4.347 3.960 0.001 0.000 0.239 284 G HA3 0.386 4.347 3.960 0.001 0.000 0.239 284 G C 0.017 174.644 174.900 -0.456 0.000 1.402 284 G CA -0.476 44.511 45.100 -0.188 0.000 1.046 284 G HN 0.723 nan 8.290 nan 0.000 0.565 285 N N -1.206 117.359 118.700 -0.225 0.000 2.393 285 N HA 0.181 4.922 4.740 0.001 0.000 0.256 285 N C 0.220 175.741 175.510 0.019 0.000 1.449 285 N CA 0.182 53.058 53.050 -0.290 0.000 0.887 285 N CB 0.011 38.322 38.487 -0.294 0.000 1.374 285 N HN 0.721 nan 8.380 nan 0.000 0.503 286 G N 0.252 109.154 108.800 0.170 0.000 2.531 286 G HA2 0.389 4.349 3.960 0.001 0.000 0.313 286 G HA3 0.389 4.349 3.960 0.001 0.000 0.313 286 G C 0.481 175.497 174.900 0.194 0.000 1.238 286 G CA -0.760 44.446 45.100 0.177 0.000 0.994 286 G HN 0.155 nan 8.290 nan 0.000 0.493 287 R N -1.201 119.342 120.500 0.071 0.000 2.297 287 R HA 0.144 4.485 4.340 0.001 0.000 0.197 287 R C -0.252 175.683 176.300 -0.608 0.000 0.943 287 R CA 0.583 56.560 56.100 -0.205 0.000 1.038 287 R CB 0.169 30.307 30.300 -0.270 0.000 0.957 287 R HN 0.391 nan 8.270 nan 0.000 0.484 288 F N 0.476 120.413 119.950 -0.022 0.000 2.605 288 F HA 0.223 4.751 4.527 0.001 0.000 0.391 288 F C -0.595 175.228 175.800 0.039 0.000 1.429 288 F CA -1.118 56.662 58.000 -0.366 0.000 1.138 288 F CB 0.567 39.138 39.000 -0.716 0.000 1.198 288 F HN -0.251 nan 8.300 nan 0.000 0.516 289 D N 1.792 122.389 120.400 0.328 0.000 2.383 289 D HA 0.134 4.775 4.640 0.001 0.000 0.252 289 D C 0.216 176.773 176.300 0.429 0.000 1.166 289 D CA 0.389 54.630 54.000 0.401 0.000 0.879 289 D CB 2.306 43.397 40.800 0.484 0.000 1.164 289 D HN -0.073 nan 8.370 nan 0.000 0.462 290 V N 4.396 124.519 119.914 0.349 0.000 2.455 290 V HA 0.066 4.187 4.120 0.001 0.000 0.273 290 V C 0.940 177.048 176.094 0.023 0.000 1.045 290 V CA -0.468 61.928 62.300 0.160 0.000 0.976 290 V CB 0.497 32.371 31.823 0.085 0.000 0.993 290 V HN 0.327 nan 8.190 nan 0.000 0.475 291 L N 8.515 129.650 121.223 -0.146 0.000 2.467 291 L HA 0.288 4.629 4.340 0.001 0.000 0.270 291 L C -1.613 174.987 176.870 -0.449 0.000 1.205 291 L CA -1.215 53.363 54.840 -0.437 0.000 0.828 291 L CB 0.661 42.490 42.059 -0.382 0.000 1.101 291 L HN 0.478 nan 8.230 nan 0.000 0.479 292 P HA 0.224 nan 4.420 nan 0.000 0.282 292 P C -1.076 176.031 177.300 -0.321 0.000 1.287 292 P CA -0.520 62.306 63.100 -0.456 0.000 0.792 292 P CB 0.855 32.196 31.700 -0.599 0.000 1.163 293 L N 0.379 121.495 121.223 -0.178 0.000 2.307 293 L HA 0.398 4.739 4.340 0.001 0.000 0.282 293 L C 0.332 177.127 176.870 -0.124 0.000 1.051 293 L CA -0.827 53.957 54.840 -0.093 0.000 0.804 293 L CB 0.735 42.819 42.059 0.042 0.000 1.197 293 L HN 0.219 nan 8.230 nan 0.000 0.431 294 L N 5.065 126.204 121.223 -0.141 0.000 2.264 294 L HA 0.465 4.806 4.340 0.001 0.000 0.287 294 L C -0.549 176.197 176.870 -0.207 0.000 1.039 294 L CA -0.188 54.483 54.840 -0.282 0.000 0.829 294 L CB 0.985 42.769 42.059 -0.459 0.000 1.211 294 L HN 0.431 nan 8.230 nan 0.000 0.427 295 L N 4.058 125.203 121.223 -0.130 0.000 2.334 295 L HA 0.581 4.922 4.340 0.001 0.000 0.276 295 L C -0.413 176.399 176.870 -0.096 0.000 1.014 295 L CA -0.525 54.291 54.840 -0.039 0.000 0.815 295 L CB 1.932 44.013 42.059 0.036 0.000 1.268 295 L HN 0.541 nan 8.230 nan 0.000 0.428 296 Q N 2.102 121.888 119.800 -0.023 0.000 2.275 296 Q HA 0.649 4.989 4.340 0.001 0.000 0.266 296 Q C -1.350 174.629 176.000 -0.036 0.000 1.002 296 Q CA -0.552 55.241 55.803 -0.016 0.000 0.761 296 Q CB 2.264 31.073 28.738 0.117 0.000 1.255 296 Q HN 0.798 nan 8.270 nan 0.000 0.446 297 A N 4.770 127.517 122.820 -0.122 0.000 2.302 297 A HA 0.631 4.952 4.320 0.001 0.000 0.285 297 A C -2.378 174.984 177.584 -0.371 0.000 1.105 297 A CA -1.461 50.348 52.037 -0.380 0.000 0.816 297 A CB 0.070 18.938 19.000 -0.220 0.000 1.067 297 A HN 0.597 nan 8.150 nan 0.000 0.489 298 P HA 0.027 nan 4.420 nan 0.000 0.258 298 P C -0.659 176.547 177.300 -0.156 0.000 1.172 298 P CA 0.997 63.901 63.100 -0.327 0.000 0.762 298 P CB 0.096 31.581 31.700 -0.358 0.000 0.764 299 D N 0.368 120.722 120.400 -0.076 0.000 2.945 299 D HA -0.160 4.481 4.640 0.001 0.000 0.225 299 D C -0.059 176.230 176.300 -0.019 0.000 1.158 299 D CA 1.243 55.227 54.000 -0.028 0.000 0.805 299 D CB -0.776 40.007 40.800 -0.030 0.000 1.098 299 D HN 0.500 nan 8.370 nan 0.000 0.426 300 E N -0.744 119.442 120.200 -0.023 0.000 2.343 300 E HA 0.655 5.006 4.350 0.001 0.000 0.270 300 E C 0.009 176.601 176.600 -0.013 0.000 0.895 300 E CA -0.819 55.568 56.400 -0.023 0.000 0.767 300 E CB 1.798 31.468 29.700 -0.049 0.000 1.248 300 E HN 0.123 nan 8.360 nan 0.000 0.440 301 A N 3.034 125.841 122.820 -0.021 0.000 2.561 301 A HA 0.221 4.542 4.320 0.001 0.000 0.234 301 A C -1.963 175.515 177.584 -0.176 0.000 1.055 301 A CA -0.629 51.376 52.037 -0.052 0.000 0.756 301 A CB -0.670 18.312 19.000 -0.030 0.000 0.986 301 A HN 0.254 nan 8.150 nan 0.000 0.505 302 P HA 0.195 nan 4.420 nan 0.000 0.270 302 P C -0.527 176.486 177.300 -0.478 0.000 1.223 302 P CA 0.142 62.865 63.100 -0.628 0.000 0.785 302 P CB 0.620 31.432 31.700 -1.479 0.000 0.923 303 E N 0.328 120.307 120.200 -0.370 0.000 2.238 303 E HA 0.418 4.769 4.350 0.001 0.000 0.267 303 E C -0.943 175.334 176.600 -0.538 0.000 0.887 303 E CA -1.029 55.136 56.400 -0.391 0.000 0.769 303 E CB 1.442 30.977 29.700 -0.275 0.000 1.187 303 E HN 0.207 nan 8.360 nan 0.000 0.416 304 L N 3.063 123.871 121.223 -0.691 0.000 2.326 304 L HA 0.433 4.774 4.340 0.001 0.000 0.278 304 L C -1.389 174.880 176.870 -1.002 0.000 1.092 304 L CA 0.078 54.552 54.840 -0.609 0.000 0.810 304 L CB 0.076 41.905 42.059 -0.382 0.000 1.153 304 L HN 0.453 nan 8.230 nan 0.000 0.439 305 F N 3.946 123.639 119.950 -0.428 0.000 2.671 305 F HA 0.359 4.886 4.527 0.001 0.000 0.332 305 F C -0.167 175.331 175.800 -0.504 0.000 1.189 305 F CA -0.903 56.681 58.000 -0.693 0.000 0.988 305 F CB 1.537 39.726 39.000 -1.352 0.000 1.258 305 F HN 0.014 nan 8.300 nan 0.000 0.471 306 V N 4.773 124.587 119.914 -0.168 0.000 2.508 306 V HA 0.139 4.260 4.120 0.001 0.000 0.281 306 V C 0.401 176.587 176.094 0.154 0.000 1.041 306 V CA -0.475 61.822 62.300 -0.005 0.000 1.016 306 V CB 0.841 32.708 31.823 0.073 0.000 0.984 306 V HN 0.532 nan 8.190 nan 0.000 0.478 307 L N 7.491 128.823 121.223 0.180 0.000 2.367 307 L HA 0.298 4.639 4.340 0.001 0.000 0.275 307 L C -2.050 174.924 176.870 0.172 0.000 1.129 307 L CA -1.526 53.465 54.840 0.252 0.000 0.839 307 L CB 0.751 42.891 42.059 0.135 0.000 1.133 307 L HN 0.461 nan 8.230 nan 0.000 0.453 308 P HA 0.075 nan 4.420 nan 0.000 0.266 308 P C -2.015 175.332 177.300 0.079 0.000 1.215 308 P CA -1.010 62.157 63.100 0.112 0.000 0.763 308 P CB 0.378 32.132 31.700 0.091 0.000 0.806 309 P HA -0.269 nan 4.420 nan 0.000 0.218 309 P C 1.398 178.728 177.300 0.050 0.000 1.154 309 P CA 1.576 64.718 63.100 0.069 0.000 0.872 309 P CB -0.160 31.583 31.700 0.073 0.000 0.790 310 E N -0.350 119.876 120.200 0.042 0.000 2.338 310 E HA -0.139 4.212 4.350 0.001 0.000 0.197 310 E C 1.938 178.551 176.600 0.021 0.000 1.007 310 E CA 0.864 57.281 56.400 0.028 0.000 0.849 310 E CB -1.206 28.508 29.700 0.023 0.000 0.774 310 E HN 0.313 nan 8.360 nan 0.000 0.506 311 L N 0.920 122.156 121.223 0.022 0.000 2.291 311 L HA 0.008 4.349 4.340 0.001 0.000 0.214 311 L C 0.606 177.485 176.870 0.014 0.000 1.120 311 L CA 0.370 55.216 54.840 0.010 0.000 0.799 311 L CB 0.423 42.481 42.059 -0.002 0.000 0.925 311 L HN -0.091 nan 8.230 nan 0.000 0.446 312 V N 1.397 121.324 119.914 0.022 0.000 2.277 312 V HA 0.153 4.273 4.120 0.001 0.000 0.269 312 V C -0.109 176.008 176.094 0.039 0.000 1.036 312 V CA -0.648 61.663 62.300 0.019 0.000 0.821 312 V CB 1.220 33.045 31.823 0.002 0.000 1.052 312 V HN 0.004 nan 8.190 nan 0.000 0.462 313 L N 5.145 126.397 121.223 0.048 0.000 2.361 313 L HA 0.411 4.752 4.340 0.001 0.000 0.278 313 L C 0.199 177.103 176.870 0.057 0.000 1.113 313 L CA 0.850 55.715 54.840 0.040 0.000 0.849 313 L CB 0.504 42.581 42.059 0.031 0.000 1.155 313 L HN 0.642 nan 8.230 nan 0.000 0.452 314 E N 2.828 123.041 120.200 0.021 0.000 2.244 314 E HA 0.605 4.955 4.350 0.001 0.000 0.266 314 E C -1.456 175.085 176.600 -0.098 0.000 0.914 314 E CA -0.863 55.544 56.400 0.011 0.000 0.794 314 E CB 2.237 31.969 29.700 0.052 0.000 1.210 314 E HN 0.392 nan 8.360 nan 0.000 0.414 315 V N 4.055 123.871 119.914 -0.163 0.000 2.380 315 V HA 0.306 4.427 4.120 0.001 0.000 0.286 315 V C -2.407 173.591 176.094 -0.161 0.000 1.015 315 V CA -1.931 60.198 62.300 -0.285 0.000 0.834 315 V CB 1.175 32.545 31.823 -0.755 0.000 1.009 315 V HN 0.576 nan 8.190 nan 0.000 0.428 316 P HA 0.284 nan 4.420 nan 0.000 0.271 316 P C -0.652 176.632 177.300 -0.026 0.000 1.218 316 P CA -0.150 62.902 63.100 -0.080 0.000 0.780 316 P CB 0.679 32.345 31.700 -0.057 0.000 0.901 317 L N 3.257 124.503 121.223 0.039 0.000 2.275 317 L HA 0.460 4.800 4.340 0.001 0.000 0.288 317 L C 0.908 177.902 176.870 0.206 0.000 1.046 317 L CA -0.190 54.731 54.840 0.134 0.000 0.805 317 L CB 0.657 42.867 42.059 0.251 0.000 1.193 317 L HN 0.527 nan 8.230 nan 0.000 0.426 318 E N 1.745 122.000 120.200 0.093 0.000 2.446 318 E HA 0.453 4.803 4.350 0.001 0.000 0.276 318 E C -1.360 175.184 176.600 -0.093 0.000 0.969 318 E CA -0.971 55.489 56.400 0.100 0.000 0.800 318 E CB 2.380 32.148 29.700 0.112 0.000 1.341 318 E HN 0.435 nan 8.360 nan 0.000 0.460 319 H N 0.671 119.586 119.070 -0.258 0.000 2.529 319 H HA 0.264 4.821 4.556 0.001 0.000 0.348 319 H C -1.897 173.223 175.328 -0.346 0.000 1.152 319 H CA -2.349 53.447 56.048 -0.419 0.000 1.202 319 H CB 2.088 31.497 29.762 -0.589 0.000 1.562 319 H HN 0.379 nan 8.280 nan 0.000 0.515 320 P HA -0.087 nan 4.420 nan 0.000 0.217 320 P C 1.027 178.150 177.300 -0.295 0.000 1.151 320 P CA 1.540 64.166 63.100 -0.790 0.000 0.828 320 P CB 0.369 31.516 31.700 -0.922 0.000 0.788 321 T N -3.913 110.598 114.554 -0.073 0.000 2.978 321 T HA 0.215 4.566 4.350 0.001 0.000 0.248 321 T C 0.882 175.564 174.700 -0.030 0.000 1.018 321 T CA -0.125 61.971 62.100 -0.008 0.000 1.026 321 T CB -0.588 68.287 68.868 0.011 0.000 1.032 321 T HN -0.068 nan 8.240 nan 0.000 0.485 322 L N 3.355 124.540 121.223 -0.064 0.000 2.302 322 L HA 0.408 4.749 4.340 0.001 0.000 0.285 322 L C 1.753 178.297 176.870 -0.544 0.000 1.090 322 L CA -0.510 54.009 54.840 -0.534 0.000 0.866 322 L CB 0.855 42.226 42.059 -1.146 0.000 1.244 322 L HN 0.370 nan 8.230 nan 0.000 0.435 323 E N 4.425 124.440 120.200 -0.308 0.000 2.153 323 E HA -0.212 4.139 4.350 0.001 0.000 0.194 323 E C 1.610 178.180 176.600 -0.050 0.000 0.988 323 E CA 1.412 57.747 56.400 -0.108 0.000 0.811 323 E CB -0.035 29.669 29.700 0.007 0.000 0.746 323 E HN 0.770 nan 8.360 nan 0.000 0.466 324 W N -0.212 121.147 121.300 0.099 0.000 2.465 324 W HA -0.043 4.617 4.660 0.001 0.000 0.268 324 W C 1.409 177.989 176.519 0.103 0.000 1.242 324 W CA -0.131 57.258 57.345 0.074 0.000 1.248 324 W CB -0.969 28.510 29.460 0.032 0.000 1.118 324 W HN 0.002 nan 8.180 nan 0.000 0.587 325 F N 3.095 122.889 119.950 -0.260 0.000 2.065 325 F HA -0.210 4.317 4.527 0.001 0.000 0.298 325 F C 2.759 178.605 175.800 0.077 0.000 1.112 325 F CA 3.227 61.175 58.000 -0.087 0.000 1.212 325 F CB -0.820 38.014 39.000 -0.277 0.000 0.975 325 F HN -0.077 nan 8.300 nan 0.000 0.476 326 A N 0.057 123.058 122.820 0.302 0.000 2.032 326 A HA -0.138 4.183 4.320 0.001 0.000 0.221 326 A C 2.277 179.944 177.584 0.139 0.000 1.165 326 A CA 1.669 53.834 52.037 0.214 0.000 0.645 326 A CB -1.546 17.542 19.000 0.146 0.000 0.807 326 A HN 0.511 nan 8.150 nan 0.000 0.453 327 A N -0.608 122.299 122.820 0.145 0.000 2.178 327 A HA 0.086 4.407 4.320 0.001 0.000 0.218 327 A C 1.903 179.538 177.584 0.085 0.000 1.157 327 A CA 1.037 53.145 52.037 0.117 0.000 0.689 327 A CB -0.494 18.591 19.000 0.142 0.000 0.787 327 A HN 0.503 nan 8.150 nan 0.000 0.465 328 L N -1.312 119.943 121.223 0.052 0.000 2.376 328 L HA 0.024 4.365 4.340 0.001 0.000 0.219 328 L C 1.797 178.707 176.870 0.065 0.000 1.133 328 L CA 0.711 55.558 54.840 0.010 0.000 0.816 328 L CB -0.485 41.487 42.059 -0.145 0.000 0.933 328 L HN 0.602 nan 8.230 nan 0.000 0.449 329 G N 0.388 109.231 108.800 0.072 0.000 2.176 329 G HA2 -0.251 3.710 3.960 0.001 0.000 0.252 329 G HA3 -0.251 3.710 3.960 0.001 0.000 0.252 329 G C -0.067 174.862 174.900 0.048 0.000 1.024 329 G CA -0.197 44.951 45.100 0.081 0.000 0.755 329 G HN 0.094 nan 8.290 nan 0.000 0.507 330 L N 0.419 121.646 121.223 0.007 0.000 2.395 330 L HA 0.775 5.115 4.340 0.001 0.000 0.269 330 L C 1.064 177.703 176.870 -0.385 0.000 1.133 330 L CA -0.456 54.296 54.840 -0.147 0.000 0.812 330 L CB 0.930 43.032 42.059 0.072 0.000 1.125 330 L HN 0.592 nan 8.230 nan 0.000 0.452 331 R N 1.375 121.352 120.500 -0.872 0.000 2.764 331 R HA 0.544 4.885 4.340 0.001 0.000 0.270 331 R C -1.622 174.567 176.300 -0.184 0.000 1.014 331 R CA -0.865 54.946 56.100 -0.482 0.000 0.904 331 R CB 2.077 32.070 30.300 -0.512 0.000 1.236 331 R HN 0.601 nan 8.270 nan 0.000 0.466 332 W N 1.625 122.855 121.300 -0.118 0.000 3.029 332 W HA 0.396 5.057 4.660 0.002 0.000 0.339 332 W C -1.117 175.479 176.519 0.128 0.000 1.198 332 W CA -1.015 56.362 57.345 0.054 0.000 1.148 332 W CB 2.135 31.583 29.460 -0.020 0.000 1.451 332 W HN 0.666 nan 8.180 nan 0.000 0.564 333 Y N 0.804 121.012 120.300 -0.155 0.000 2.307 333 Y HA 0.574 5.125 4.550 0.001 0.000 0.324 333 Y C 0.794 176.914 175.900 0.367 0.000 1.238 333 Y CA -0.304 57.798 58.100 0.003 0.000 1.280 333 Y CB 0.223 38.543 38.460 -0.233 0.000 1.248 333 Y HN 0.376 nan 8.280 nan 0.000 0.508 334 A N 2.180 125.269 122.820 0.448 0.000 1.968 334 A HA 0.039 4.360 4.320 0.001 0.000 0.217 334 A C 0.473 178.423 177.584 0.610 0.000 1.169 334 A CA 0.700 53.033 52.037 0.493 0.000 0.638 334 A CB -0.369 18.767 19.000 0.227 0.000 0.812 334 A HN 0.697 nan 8.150 nan 0.000 0.446 335 L N 1.485 123.029 121.223 0.535 0.000 2.295 335 L HA 0.433 4.773 4.340 0.001 0.000 0.281 335 L C -2.649 174.374 176.870 0.255 0.000 1.018 335 L CA -2.229 52.804 54.840 0.321 0.000 0.841 335 L CB 1.944 44.115 42.059 0.187 0.000 1.218 335 L HN -0.064 nan 8.230 nan 0.000 0.424 336 P HA 0.316 nan 4.420 nan 0.000 0.284 336 P C -1.316 175.909 177.300 -0.125 0.000 1.343 336 P CA -0.223 62.766 63.100 -0.186 0.000 0.826 336 P CB 1.262 32.498 31.700 -0.772 0.000 0.956 337 A N 4.451 127.197 122.820 -0.124 0.000 2.545 337 A HA 0.439 4.760 4.320 0.001 0.000 0.300 337 A C -0.375 177.019 177.584 -0.317 0.000 1.252 337 A CA -0.634 51.275 52.037 -0.214 0.000 0.753 337 A CB 0.795 19.686 19.000 -0.182 0.000 1.144 337 A HN 0.296 nan 8.150 nan 0.000 0.457 338 V N 2.565 122.144 119.914 -0.558 0.000 2.583 338 V HA 0.412 4.533 4.120 0.001 0.000 0.287 338 V C 1.144 176.873 176.094 -0.608 0.000 1.051 338 V CA 0.940 62.881 62.300 -0.598 0.000 1.010 338 V CB 1.519 32.857 31.823 -0.808 0.000 0.988 338 V HN 1.134 nan 8.190 nan 0.000 0.478 339 S N 1.317 116.840 115.700 -0.294 0.000 2.817 339 S HA 0.052 4.523 4.470 0.001 0.000 0.262 339 S C 0.683 175.268 174.600 -0.025 0.000 1.051 339 S CA 0.080 58.191 58.200 -0.149 0.000 1.185 339 S CB -0.451 62.693 63.200 -0.093 0.000 1.152 339 S HN 0.904 nan 8.310 nan 0.000 0.653 340 N N 0.481 119.171 118.700 -0.016 0.000 2.214 340 N HA 0.333 5.074 4.740 0.001 0.000 0.214 340 N C 0.103 175.675 175.510 0.104 0.000 1.132 340 N CA -0.508 52.576 53.050 0.056 0.000 0.856 340 N CB 0.127 38.650 38.487 0.061 0.000 1.020 340 N HN 0.272 nan 8.380 nan 0.000 0.509 341 M N 1.274 120.954 119.600 0.134 0.000 2.528 341 M HA 0.342 4.823 4.480 0.001 0.000 0.318 341 M C -0.742 175.706 176.300 0.246 0.000 1.195 341 M CA -0.944 54.491 55.300 0.225 0.000 1.000 341 M CB 2.596 35.385 32.600 0.316 0.000 1.615 341 M HN 0.118 nan 8.290 nan 0.000 0.469 342 L N 3.050 124.392 121.223 0.199 0.000 2.295 342 L HA 0.498 4.839 4.340 0.001 0.000 0.285 342 L C -1.310 175.640 176.870 0.134 0.000 1.035 342 L CA -0.956 53.976 54.840 0.153 0.000 0.806 342 L CB 1.032 43.137 42.059 0.076 0.000 1.214 342 L HN 0.578 nan 8.230 nan 0.000 0.426 343 L N 5.357 126.650 121.223 0.116 0.000 2.257 343 L HA 0.407 4.748 4.340 0.001 0.000 0.290 343 L C -0.322 176.527 176.870 -0.034 0.000 1.044 343 L CA 0.265 55.052 54.840 -0.087 0.000 0.810 343 L CB 1.008 42.999 42.059 -0.114 0.000 1.193 343 L HN 0.616 nan 8.230 nan 0.000 0.425 344 E N 6.580 126.688 120.200 -0.154 0.000 2.146 344 E HA 0.364 4.715 4.350 0.001 0.000 0.282 344 E C -1.456 175.048 176.600 -0.159 0.000 0.989 344 E CA -0.324 56.010 56.400 -0.111 0.000 0.799 344 E CB 0.826 30.463 29.700 -0.105 0.000 1.088 344 E HN 0.724 nan 8.360 nan 0.000 0.397 345 I N 2.473 122.958 120.570 -0.141 0.000 2.478 345 I HA 0.242 4.413 4.170 0.001 0.000 0.287 345 I C 0.733 176.620 176.117 -0.383 0.000 1.042 345 I CA -0.861 60.230 61.300 -0.347 0.000 1.067 345 I CB 2.024 39.764 38.000 -0.435 0.000 1.233 345 I HN 0.746 nan 8.210 nan 0.000 0.431 346 G N 4.406 112.988 108.800 -0.364 0.000 2.424 346 G HA2 -0.116 3.845 3.960 0.001 0.000 0.294 346 G HA3 -0.116 3.845 3.960 0.001 0.000 0.294 346 G C 1.089 176.036 174.900 0.079 0.000 0.939 346 G CA 0.922 46.009 45.100 -0.022 0.000 1.143 346 G HN 1.536 nan 8.290 nan 0.000 0.507 347 G N -1.848 106.960 108.800 0.013 0.000 2.189 347 G HA2 -0.288 3.673 3.960 0.001 0.000 0.267 347 G HA3 -0.288 3.673 3.960 0.001 0.000 0.267 347 G C 0.537 175.395 174.900 -0.070 0.000 0.975 347 G CA 0.749 45.856 45.100 0.011 0.000 0.644 347 G HN 1.302 nan 8.290 nan 0.000 0.537 348 L N 0.365 121.495 121.223 -0.154 0.000 2.357 348 L HA 0.620 4.961 4.340 0.001 0.000 0.273 348 L C 0.305 176.961 176.870 -0.357 0.000 1.080 348 L CA -0.576 54.062 54.840 -0.337 0.000 0.803 348 L CB 1.236 43.002 42.059 -0.488 0.000 1.174 348 L HN 0.156 nan 8.230 nan 0.000 0.443 349 E N 2.453 122.339 120.200 -0.522 0.000 2.199 349 E HA 0.415 4.766 4.350 0.001 0.000 0.265 349 E C -1.583 174.687 176.600 -0.549 0.000 0.882 349 E CA -0.455 55.727 56.400 -0.363 0.000 0.759 349 E CB 1.955 31.539 29.700 -0.194 0.000 1.148 349 E HN 0.261 nan 8.360 nan 0.000 0.412 350 F N 1.686 121.602 119.950 -0.057 0.000 2.366 350 F HA 0.120 4.648 4.527 0.001 0.000 0.366 350 F C 1.360 177.189 175.800 0.049 0.000 1.096 350 F CA -0.566 57.429 58.000 -0.008 0.000 1.060 350 F CB 1.439 40.417 39.000 -0.037 0.000 1.282 350 F HN 0.416 nan 8.300 nan 0.000 0.450 351 S N 1.236 117.036 115.700 0.166 0.000 2.489 351 S HA 0.297 4.768 4.470 0.001 0.000 0.228 351 S C 0.793 175.514 174.600 0.201 0.000 0.995 351 S CA 0.279 58.570 58.200 0.151 0.000 0.934 351 S CB 0.129 63.394 63.200 0.109 0.000 0.771 351 S HN 0.507 nan 8.310 nan 0.000 0.522 352 A N 0.761 123.743 122.820 0.270 0.000 2.483 352 A HA 0.828 5.148 4.320 0.001 0.000 0.308 352 A C -0.162 177.688 177.584 0.443 0.000 1.291 352 A CA -0.231 51.989 52.037 0.305 0.000 0.774 352 A CB 0.680 19.800 19.000 0.200 0.000 1.134 352 A HN 0.862 nan 8.150 nan 0.000 0.471 353 A N 4.152 127.178 122.820 0.343 0.000 3.307 353 A HA 0.656 4.977 4.320 0.001 0.000 0.289 353 A C -3.053 174.700 177.584 0.282 0.000 1.138 353 A CA -1.033 51.178 52.037 0.290 0.000 0.860 353 A CB 0.468 19.614 19.000 0.242 0.000 1.318 353 A HN 0.486 nan 8.150 nan 0.000 0.551 354 P HA 0.471 nan 4.420 nan 0.000 0.271 354 P C -0.797 176.514 177.300 0.019 0.000 1.216 354 P CA 0.329 63.401 63.100 -0.046 0.000 0.776 354 P CB 0.364 31.987 31.700 -0.129 0.000 0.881 355 F N -0.763 119.151 119.950 -0.059 0.000 2.588 355 F HA 0.738 5.266 4.527 0.001 0.000 0.310 355 F C -0.650 175.084 175.800 -0.110 0.000 1.082 355 F CA -1.211 56.757 58.000 -0.054 0.000 0.929 355 F CB 1.450 40.324 39.000 -0.211 0.000 1.254 355 F HN 0.364 nan 8.300 nan 0.000 0.455 356 S N 0.549 116.365 115.700 0.193 0.000 2.599 356 S HA 0.995 5.466 4.470 0.001 0.000 0.287 356 S C -0.602 173.986 174.600 -0.020 0.000 1.105 356 S CA -0.187 58.059 58.200 0.078 0.000 0.899 356 S CB 1.652 64.965 63.200 0.189 0.000 1.100 356 S HN 1.454 nan 8.310 nan 0.000 0.482 357 G N -0.119 108.625 108.800 -0.093 0.000 3.265 357 G HA2 0.723 4.684 3.960 0.001 0.000 0.171 357 G HA3 0.723 4.684 3.960 0.001 0.000 0.171 357 G C -1.627 173.282 174.900 0.016 0.000 1.110 357 G CA -0.433 44.525 45.100 -0.235 0.000 0.855 357 G HN 1.052 nan 8.290 nan 0.000 0.658 358 W N -1.637 119.685 121.300 0.036 0.000 3.029 358 W HA 0.814 5.474 4.660 0.001 0.000 0.339 358 W C -1.748 174.795 176.519 0.040 0.000 1.198 358 W CA -2.054 55.323 57.345 0.054 0.000 1.148 358 W CB 0.540 30.070 29.460 0.116 0.000 1.451 358 W HN 0.389 nan 8.180 nan 0.000 0.564 359 Y N 2.586 123.082 120.300 0.327 0.000 2.346 359 Y HA 0.276 4.827 4.550 0.001 0.000 0.330 359 Y C 0.925 176.894 175.900 0.115 0.000 1.178 359 Y CA -0.718 57.458 58.100 0.127 0.000 1.331 359 Y CB 1.222 39.674 38.460 -0.014 0.000 1.253 359 Y HN 0.434 nan 8.280 nan 0.000 0.529 360 M N 2.367 122.124 119.600 0.262 0.000 2.216 360 M HA 0.146 4.626 4.480 0.001 0.000 0.356 360 M C 1.125 177.435 176.300 0.017 0.000 1.205 360 M CA -0.007 55.377 55.300 0.139 0.000 1.122 360 M CB 0.916 33.578 32.600 0.104 0.000 1.571 360 M HN 0.838 nan 8.290 nan 0.000 0.464 361 S N 1.064 116.736 115.700 -0.048 0.000 2.419 361 S HA -0.165 4.306 4.470 0.001 0.000 0.235 361 S C 1.485 175.977 174.600 -0.181 0.000 1.019 361 S CA 1.792 59.891 58.200 -0.169 0.000 0.982 361 S CB -1.281 61.854 63.200 -0.108 0.000 0.789 361 S HN 0.930 nan 8.310 nan 0.000 0.490 362 T N 0.652 115.133 114.554 -0.122 0.000 2.881 362 T HA -0.074 4.277 4.350 0.001 0.000 0.270 362 T C 1.554 176.136 174.700 -0.197 0.000 1.068 362 T CA 1.312 63.301 62.100 -0.185 0.000 1.131 362 T CB -0.578 68.152 68.868 -0.231 0.000 0.871 362 T HN 0.599 nan 8.240 nan 0.000 0.479 363 E N 0.936 121.034 120.200 -0.171 0.000 2.077 363 E HA -0.027 4.324 4.350 0.001 0.000 0.193 363 E C 2.093 178.467 176.600 -0.376 0.000 0.989 363 E CA 1.284 57.582 56.400 -0.170 0.000 0.800 363 E CB -0.291 29.416 29.700 0.011 0.000 0.746 363 E HN 0.575 nan 8.360 nan 0.000 0.452 364 I N 0.235 120.448 120.570 -0.596 0.000 2.296 364 I HA -0.054 4.117 4.170 0.001 0.000 0.242 364 I C 2.552 178.374 176.117 -0.492 0.000 1.087 364 I CA 0.941 61.734 61.300 -0.844 0.000 1.393 364 I CB -0.400 36.983 38.000 -1.029 0.000 1.093 364 I HN 0.104 nan 8.210 nan 0.000 0.421 365 G N -0.049 108.552 108.800 -0.332 0.000 2.443 365 G HA2 -0.130 3.831 3.960 0.001 0.000 0.219 365 G HA3 -0.130 3.831 3.960 0.001 0.000 0.219 365 G C 1.520 176.342 174.900 -0.131 0.000 1.131 365 G CA 1.356 46.349 45.100 -0.177 0.000 0.775 365 G HN 0.299 nan 8.290 nan 0.000 0.547 366 T N -0.001 114.452 114.554 -0.168 0.000 3.252 366 T HA 0.099 4.450 4.350 0.001 0.000 0.233 366 T C 2.471 177.105 174.700 -0.110 0.000 0.975 366 T CA 0.089 62.111 62.100 -0.131 0.000 1.318 366 T CB 0.049 68.821 68.868 -0.159 0.000 1.014 366 T HN 0.007 nan 8.240 nan 0.000 0.418 367 R N 2.286 122.709 120.500 -0.128 0.000 2.070 367 R HA 0.070 4.411 4.340 0.001 0.000 0.232 367 R C 2.001 178.265 176.300 -0.060 0.000 1.138 367 R CA 1.240 57.289 56.100 -0.084 0.000 0.936 367 R CB -1.208 29.046 30.300 -0.076 0.000 0.839 367 R HN 0.343 nan 8.270 nan 0.000 0.429 368 N N 0.758 119.367 118.700 -0.153 0.000 2.309 368 N HA -0.048 4.693 4.740 0.001 0.000 0.182 368 N C 1.893 177.414 175.510 0.019 0.000 1.018 368 N CA 0.892 53.862 53.050 -0.134 0.000 0.876 368 N CB -0.048 38.054 38.487 -0.641 0.000 0.972 368 N HN 0.226 nan 8.380 nan 0.000 0.434 369 L N -1.250 119.945 121.223 -0.046 0.000 2.470 369 L HA 0.148 4.489 4.340 0.001 0.000 0.219 369 L C 1.515 178.447 176.870 0.103 0.000 1.071 369 L CA 0.225 55.109 54.840 0.073 0.000 0.850 369 L CB 0.299 42.372 42.059 0.023 0.000 1.040 369 L HN 0.107 nan 8.230 nan 0.000 0.475 370 C N -1.282 118.045 119.300 0.045 0.000 2.609 370 C HA 0.125 4.586 4.460 0.001 0.000 0.305 370 C C 0.657 175.668 174.990 0.035 0.000 1.319 370 C CA -0.560 58.483 59.018 0.042 0.000 1.793 370 C CB -0.074 27.670 27.740 0.007 0.000 2.260 370 C HN 0.303 nan 8.230 nan 0.000 0.535 371 D N 2.820 123.239 120.400 0.032 0.000 2.383 371 D HA 0.095 4.736 4.640 0.001 0.000 0.252 371 D C -1.315 175.011 176.300 0.043 0.000 1.166 371 D CA -1.353 52.670 54.000 0.039 0.000 0.879 371 D CB 0.708 41.537 40.800 0.048 0.000 1.164 371 D HN 0.224 nan 8.370 nan 0.000 0.462 372 P HA -0.176 nan 4.420 nan 0.000 0.220 372 P C 0.509 177.667 177.300 -0.237 0.000 1.144 372 P CA 1.282 64.312 63.100 -0.117 0.000 0.800 372 P CB 0.135 31.727 31.700 -0.179 0.000 0.772 373 H N -2.024 117.054 119.070 0.013 0.000 2.539 373 H HA 0.155 4.711 4.556 0.001 0.000 0.267 373 H C 1.683 177.008 175.328 -0.005 0.000 0.982 373 H CA 0.150 56.200 56.048 0.004 0.000 1.146 373 H CB 0.176 29.945 29.762 0.011 0.000 1.382 373 H HN -0.012 nan 8.280 nan 0.000 0.577 374 R N -1.085 119.452 120.500 0.062 0.000 2.721 374 R HA 0.173 4.514 4.340 0.001 0.000 0.104 374 R C 0.831 177.096 176.300 -0.057 0.000 1.052 374 R CA -0.333 55.793 56.100 0.043 0.000 0.852 374 R CB -0.906 29.490 30.300 0.161 0.000 0.799 374 R HN 0.150 nan 8.270 nan 0.000 0.373 375 Y N 1.685 122.037 120.300 0.088 0.000 2.519 375 Y HA 0.088 4.639 4.550 0.001 0.000 0.287 375 Y C 0.638 176.570 175.900 0.053 0.000 1.128 375 Y CA 0.771 58.919 58.100 0.081 0.000 1.282 375 Y CB -0.037 38.511 38.460 0.147 0.000 1.027 375 Y HN 0.501 nan 8.280 nan 0.000 0.551 376 N N 1.213 120.000 118.700 0.146 0.000 2.705 376 N HA -0.227 4.514 4.740 0.001 0.000 0.255 376 N C 0.511 176.081 175.510 0.100 0.000 1.008 376 N CA 0.485 53.584 53.050 0.081 0.000 0.742 376 N CB -1.012 37.482 38.487 0.013 0.000 0.906 376 N HN 0.643 nan 8.380 nan 0.000 0.541 377 I N -3.234 117.414 120.570 0.130 0.000 3.883 377 I HA 0.046 4.217 4.170 0.001 0.000 0.326 377 I C 1.883 178.072 176.117 0.120 0.000 1.283 377 I CA -0.362 61.007 61.300 0.114 0.000 1.161 377 I CB 0.002 38.071 38.000 0.116 0.000 1.012 377 I HN 0.099 nan 8.210 nan 0.000 0.421 378 L N 1.793 123.102 121.223 0.143 0.000 2.013 378 L HA -0.220 4.121 4.340 0.001 0.000 0.212 378 L C 2.534 179.561 176.870 0.262 0.000 1.073 378 L CA 2.178 57.135 54.840 0.196 0.000 0.753 378 L CB -0.672 41.493 42.059 0.177 0.000 0.890 378 L HN 0.452 nan 8.230 nan 0.000 0.432 379 E N -1.206 119.131 120.200 0.228 0.000 2.072 379 E HA -0.210 4.141 4.350 0.001 0.000 0.190 379 E C 1.740 178.340 176.600 -0.000 0.000 0.982 379 E CA 1.088 57.568 56.400 0.133 0.000 0.803 379 E CB 0.046 29.781 29.700 0.059 0.000 0.755 379 E HN 0.495 nan 8.360 nan 0.000 0.453 380 D N -0.097 120.308 120.400 0.007 0.000 2.106 380 D HA -0.182 4.459 4.640 0.001 0.000 0.191 380 D C 1.956 178.222 176.300 -0.058 0.000 0.997 380 D CA 1.314 55.288 54.000 -0.044 0.000 0.834 380 D CB -0.299 40.488 40.800 -0.021 0.000 0.956 380 D HN 0.074 nan 8.370 nan 0.000 0.448 381 V N 0.904 120.843 119.914 0.042 0.000 2.343 381 V HA -0.231 3.890 4.120 0.001 0.000 0.247 381 V C 2.410 178.571 176.094 0.111 0.000 1.051 381 V CA 1.805 64.186 62.300 0.136 0.000 1.036 381 V CB -0.805 31.170 31.823 0.252 0.000 0.654 381 V HN 0.223 nan 8.190 nan 0.000 0.451 382 A N -0.196 122.697 122.820 0.121 0.000 1.902 382 A HA -0.145 4.176 4.320 0.001 0.000 0.217 382 A C 2.390 179.938 177.584 -0.061 0.000 1.181 382 A CA 1.968 54.073 52.037 0.112 0.000 0.623 382 A CB -0.663 18.485 19.000 0.246 0.000 0.818 382 A HN 0.334 nan 8.150 nan 0.000 0.443 383 V N -0.765 119.056 119.914 -0.154 0.000 2.287 383 V HA -0.349 3.772 4.120 0.001 0.000 0.248 383 V C 2.620 178.551 176.094 -0.272 0.000 1.053 383 V CA 2.167 64.337 62.300 -0.216 0.000 1.027 383 V CB -1.185 30.508 31.823 -0.217 0.000 0.646 383 V HN 0.701 nan 8.190 nan 0.000 0.447 384 C N -0.585 118.466 119.300 -0.416 0.000 2.432 384 C HA -0.096 4.365 4.460 0.001 0.000 0.280 384 C C 2.724 177.385 174.990 -0.549 0.000 1.353 384 C CA 0.834 59.376 59.018 -0.793 0.000 1.766 384 C CB -1.038 25.729 27.740 -1.622 0.000 1.924 384 C HN 0.535 nan 8.230 nan 0.000 0.509 385 M N 0.223 119.729 119.600 -0.155 0.000 2.632 385 M HA -0.066 4.415 4.480 0.001 0.000 0.256 385 M C 0.269 176.583 176.300 0.023 0.000 1.080 385 M CA 1.221 56.581 55.300 0.100 0.000 1.084 385 M CB -0.273 32.441 32.600 0.190 0.000 1.439 385 M HN 0.325 nan 8.290 nan 0.000 0.509 386 D N 0.670 121.028 120.400 -0.070 0.000 3.017 386 D HA -0.135 4.505 4.640 0.001 0.000 0.220 386 D C -0.595 175.682 176.300 -0.039 0.000 1.141 386 D CA 0.637 54.598 54.000 -0.065 0.000 0.848 386 D CB -1.482 39.298 40.800 -0.033 0.000 1.102 386 D HN 0.341 nan 8.370 nan 0.000 0.427 387 L N 0.561 121.763 121.223 -0.034 0.000 2.375 387 L HA 0.274 4.615 4.340 0.001 0.000 0.271 387 L C 0.979 177.797 176.870 -0.087 0.000 1.107 387 L CA -0.515 54.324 54.840 -0.002 0.000 0.806 387 L CB 0.686 42.803 42.059 0.098 0.000 1.146 387 L HN -0.176 nan 8.230 nan 0.000 0.447 388 D N 0.715 121.088 120.400 -0.044 0.000 2.342 388 D HA -0.026 4.615 4.640 0.001 0.000 0.260 388 D C 0.754 176.916 176.300 -0.230 0.000 1.278 388 D CA 0.281 54.225 54.000 -0.094 0.000 0.910 388 D CB 1.043 41.834 40.800 -0.014 0.000 1.079 388 D HN 0.491 nan 8.370 nan 0.000 0.496 389 T N 3.205 117.488 114.554 -0.452 0.000 3.107 389 T HA 0.085 4.435 4.350 0.001 0.000 0.249 389 T C 1.593 176.002 174.700 -0.485 0.000 1.096 389 T CA 0.301 61.818 62.100 -0.972 0.000 1.012 389 T CB 0.000 68.283 68.868 -0.975 0.000 0.977 389 T HN 0.328 nan 8.240 nan 0.000 0.527 390 R N 0.270 120.657 120.500 -0.189 0.000 2.161 390 R HA 0.127 4.468 4.340 0.001 0.000 0.213 390 R C 0.882 177.219 176.300 0.060 0.000 1.055 390 R CA 0.619 56.685 56.100 -0.055 0.000 0.996 390 R CB 0.170 30.445 30.300 -0.043 0.000 0.901 390 R HN 0.201 nan 8.270 nan 0.000 0.456 391 T N -1.248 113.389 114.554 0.138 0.000 2.900 391 T HA 0.119 4.470 4.350 0.001 0.000 0.295 391 T C 1.143 176.018 174.700 0.291 0.000 1.044 391 T CA -0.575 61.630 62.100 0.174 0.000 0.995 391 T CB 1.890 70.821 68.868 0.105 0.000 1.072 391 T HN 0.204 nan 8.240 nan 0.000 0.473 392 T N 0.564 115.231 114.554 0.189 0.000 2.867 392 T HA -0.097 4.254 4.350 0.001 0.000 0.268 392 T C 2.106 176.839 174.700 0.055 0.000 1.057 392 T CA 1.676 63.834 62.100 0.097 0.000 1.136 392 T CB -0.704 68.178 68.868 0.023 0.000 0.874 392 T HN 0.697 nan 8.240 nan 0.000 0.466 393 S N 2.040 117.785 115.700 0.075 0.000 2.547 393 S HA -0.057 4.414 4.470 0.001 0.000 0.235 393 S C 2.128 176.770 174.600 0.069 0.000 0.980 393 S CA 0.820 59.050 58.200 0.051 0.000 0.941 393 S CB -0.866 62.361 63.200 0.045 0.000 0.763 393 S HN 0.762 nan 8.310 nan 0.000 0.532 394 S N 1.648 117.425 115.700 0.128 0.000 2.522 394 S HA 0.214 4.685 4.470 0.001 0.000 0.227 394 S C 1.035 175.708 174.600 0.122 0.000 0.986 394 S CA 0.378 58.664 58.200 0.144 0.000 0.929 394 S CB -0.950 62.377 63.200 0.210 0.000 0.769 394 S HN 0.679 nan 8.310 nan 0.000 0.529 395 L N 0.422 121.679 121.223 0.056 0.000 4.089 395 L HA -0.176 4.165 4.340 0.001 0.000 0.408 395 L C 1.686 178.542 176.870 -0.022 0.000 1.184 395 L CA 0.703 55.518 54.840 -0.041 0.000 0.947 395 L CB -2.683 39.368 42.059 -0.012 0.000 2.066 395 L HN 0.723 nan 8.230 nan 0.000 0.851 396 W N 0.433 121.741 121.300 0.015 0.000 2.338 396 W HA -0.187 4.473 4.660 0.001 0.000 0.304 396 W C 1.772 178.305 176.519 0.024 0.000 1.212 396 W CA 1.548 58.905 57.345 0.019 0.000 1.264 396 W CB -0.862 28.605 29.460 0.012 0.000 1.142 396 W HN 0.263 nan 8.180 nan 0.000 0.512 397 K N 1.143 121.080 120.400 -0.772 0.000 2.020 397 K HA -0.209 4.112 4.320 0.001 0.000 0.212 397 K C 1.541 178.006 176.600 -0.224 0.000 1.050 397 K CA 2.631 58.536 56.287 -0.636 0.000 0.929 397 K CB -0.574 31.424 32.500 -0.837 0.000 0.714 397 K HN 0.100 nan 8.250 nan 0.000 0.443 398 D N 0.508 120.790 120.400 -0.196 0.000 2.149 398 D HA -0.133 4.508 4.640 0.001 0.000 0.198 398 D C 1.731 178.023 176.300 -0.014 0.000 0.990 398 D CA 1.275 55.220 54.000 -0.092 0.000 0.839 398 D CB 0.003 40.754 40.800 -0.081 0.000 0.948 398 D HN 0.174 nan 8.370 nan 0.000 0.460 399 K N 0.310 120.727 120.400 0.028 0.000 2.097 399 K HA 0.036 4.357 4.320 0.001 0.000 0.205 399 K C 2.133 178.800 176.600 0.112 0.000 1.050 399 K CA 1.044 57.380 56.287 0.080 0.000 0.938 399 K CB -0.038 32.529 32.500 0.112 0.000 0.718 399 K HN 0.095 nan 8.250 nan 0.000 0.442 400 A N 1.444 124.345 122.820 0.135 0.000 1.897 400 A HA 0.000 4.321 4.320 0.001 0.000 0.215 400 A C 2.374 180.046 177.584 0.146 0.000 1.181 400 A CA 1.453 53.600 52.037 0.183 0.000 0.620 400 A CB -0.636 18.511 19.000 0.245 0.000 0.821 400 A HN 0.283 nan 8.150 nan 0.000 0.443 401 A N -0.296 122.572 122.820 0.079 0.000 1.892 401 A HA -0.093 4.228 4.320 0.001 0.000 0.218 401 A C 2.234 179.844 177.584 0.045 0.000 1.188 401 A CA 1.998 54.060 52.037 0.042 0.000 0.631 401 A CB -1.143 17.843 19.000 -0.023 0.000 0.822 401 A HN 0.411 nan 8.150 nan 0.000 0.447 402 V N 0.380 120.322 119.914 0.047 0.000 2.282 402 V HA -0.265 3.856 4.120 0.001 0.000 0.249 402 V C 2.633 178.780 176.094 0.089 0.000 1.057 402 V CA 2.340 64.676 62.300 0.061 0.000 1.032 402 V CB -0.728 31.136 31.823 0.067 0.000 0.645 402 V HN 0.560 nan 8.190 nan 0.000 0.447 403 E N -0.272 120.005 120.200 0.129 0.000 2.106 403 E HA -0.144 4.207 4.350 0.001 0.000 0.192 403 E C 2.124 178.823 176.600 0.164 0.000 0.984 403 E CA 1.270 57.785 56.400 0.191 0.000 0.806 403 E CB -0.317 29.489 29.700 0.176 0.000 0.750 403 E HN 0.596 nan 8.360 nan 0.000 0.458 404 I N 1.370 122.045 120.570 0.176 0.000 2.179 404 I HA -0.286 3.885 4.170 0.001 0.000 0.242 404 I C 1.888 178.030 176.117 0.042 0.000 1.088 404 I CA 1.112 62.521 61.300 0.181 0.000 1.357 404 I CB -0.312 37.828 38.000 0.233 0.000 1.051 404 I HN 0.039 nan 8.210 nan 0.000 0.409 405 N N 0.566 119.278 118.700 0.020 0.000 2.166 405 N HA -0.195 4.545 4.740 0.001 0.000 0.186 405 N C 1.714 177.208 175.510 -0.027 0.000 1.019 405 N CA 0.967 54.003 53.050 -0.023 0.000 0.856 405 N CB -0.193 38.283 38.487 -0.018 0.000 0.993 405 N HN 0.205 nan 8.380 nan 0.000 0.426 406 L N 0.329 121.539 121.223 -0.021 0.000 2.093 406 L HA 0.029 4.370 4.340 0.001 0.000 0.208 406 L C 1.965 178.737 176.870 -0.163 0.000 1.085 406 L CA 1.244 56.038 54.840 -0.077 0.000 0.755 406 L CB -0.525 41.477 42.059 -0.095 0.000 0.904 406 L HN 0.129 nan 8.230 nan 0.000 0.435 407 A N -1.063 121.621 122.820 -0.226 0.000 1.933 407 A HA -0.142 4.179 4.320 0.001 0.000 0.218 407 A C 2.222 179.729 177.584 -0.129 0.000 1.175 407 A CA 1.926 53.758 52.037 -0.341 0.000 0.628 407 A CB -1.009 17.485 19.000 -0.843 0.000 0.814 407 A HN 0.313 nan 8.150 nan 0.000 0.444 408 V N -0.205 119.663 119.914 -0.076 0.000 2.307 408 V HA -0.233 3.888 4.120 0.001 0.000 0.245 408 V C 2.552 178.660 176.094 0.024 0.000 1.045 408 V CA 1.918 64.213 62.300 -0.009 0.000 1.024 408 V CB -0.738 31.016 31.823 -0.115 0.000 0.651 408 V HN 0.558 nan 8.190 nan 0.000 0.449 409 L N -0.563 120.647 121.223 -0.022 0.000 2.005 409 L HA -0.204 4.137 4.340 0.001 0.000 0.207 409 L C 2.647 179.551 176.870 0.056 0.000 1.072 409 L CA 2.123 56.965 54.840 0.004 0.000 0.744 409 L CB -0.857 41.198 42.059 -0.006 0.000 0.895 409 L HN 0.442 nan 8.230 nan 0.000 0.433 410 H N -0.340 118.688 119.070 -0.069 0.000 2.353 410 H HA -0.182 4.375 4.556 0.001 0.000 0.298 410 H C 2.300 177.610 175.328 -0.030 0.000 1.103 410 H CA 2.072 58.068 56.048 -0.087 0.000 1.293 410 H CB -0.044 29.601 29.762 -0.194 0.000 1.372 410 H HN 0.185 nan 8.280 nan 0.000 0.501 411 S N -0.615 115.005 115.700 -0.134 0.000 2.357 411 S HA -0.072 4.399 4.470 0.001 0.000 0.221 411 S C 1.934 176.492 174.600 -0.070 0.000 1.031 411 S CA 1.046 59.151 58.200 -0.158 0.000 0.982 411 S CB -0.422 62.775 63.200 -0.004 0.000 0.853 411 S HN 0.333 nan 8.310 nan 0.000 0.458 412 F N 2.191 122.076 119.950 -0.108 0.000 2.134 412 F HA -0.122 4.406 4.527 0.001 0.000 0.299 412 F C 2.637 178.386 175.800 -0.084 0.000 1.097 412 F CA 1.120 59.085 58.000 -0.058 0.000 1.264 412 F CB -0.669 38.327 39.000 -0.007 0.000 1.001 412 F HN 0.230 nan 8.300 nan 0.000 0.479 413 Q N -0.386 119.454 119.800 0.067 0.000 2.084 413 Q HA -0.212 4.129 4.340 0.001 0.000 0.202 413 Q C 2.284 178.229 176.000 -0.092 0.000 0.978 413 Q CA 1.571 57.364 55.803 -0.016 0.000 0.844 413 Q CB -0.531 28.199 28.738 -0.013 0.000 0.898 413 Q HN 0.394 nan 8.270 nan 0.000 0.426 414 L N 0.468 121.568 121.223 -0.206 0.000 2.012 414 L HA -0.157 4.184 4.340 0.001 0.000 0.210 414 L C 2.054 178.838 176.870 -0.143 0.000 1.073 414 L CA 1.912 56.620 54.840 -0.221 0.000 0.748 414 L CB -0.397 41.436 42.059 -0.377 0.000 0.891 414 L HN 0.141 nan 8.230 nan 0.000 0.431 415 A N -1.305 121.425 122.820 -0.150 0.000 2.206 415 A HA -0.054 4.267 4.320 0.001 0.000 0.211 415 A C 1.082 178.605 177.584 -0.100 0.000 1.158 415 A CA 0.515 52.468 52.037 -0.139 0.000 0.761 415 A CB -0.474 18.399 19.000 -0.212 0.000 0.801 415 A HN 0.517 nan 8.150 nan 0.000 0.473 416 K N -1.238 119.119 120.400 -0.073 0.000 3.150 416 K HA -0.121 4.200 4.320 0.001 0.000 0.267 416 K C -0.900 175.681 176.600 -0.032 0.000 1.028 416 K CA 0.604 56.863 56.287 -0.047 0.000 0.753 416 K CB -1.999 30.472 32.500 -0.048 0.000 1.288 416 K HN 0.233 nan 8.250 nan 0.000 0.473 417 V N 1.059 120.973 119.914 -0.000 0.000 2.495 417 V HA 0.166 4.287 4.120 0.001 0.000 0.298 417 V C 0.642 176.843 176.094 0.178 0.000 1.031 417 V CA -0.763 61.576 62.300 0.065 0.000 0.871 417 V CB 2.065 33.889 31.823 0.001 0.000 0.988 417 V HN 0.275 nan 8.190 nan 0.000 0.432 418 T N 6.468 121.074 114.554 0.087 0.000 2.822 418 T HA 0.361 4.711 4.350 0.001 0.000 0.288 418 T C -0.263 174.501 174.700 0.107 0.000 0.991 418 T CA 1.005 63.081 62.100 -0.041 0.000 1.176 418 T CB -0.137 68.565 68.868 -0.278 0.000 0.951 418 T HN 0.529 nan 8.240 nan 0.000 0.526 419 I N 2.827 123.410 120.570 0.023 0.000 2.918 419 I HA 0.655 4.826 4.170 0.001 0.000 0.301 419 I C -1.431 174.716 176.117 0.051 0.000 1.312 419 I CA -0.980 60.356 61.300 0.061 0.000 1.007 419 I CB 2.039 39.976 38.000 -0.105 0.000 1.281 419 I HN 0.420 nan 8.210 nan 0.000 0.440 420 V N 4.800 124.801 119.914 0.145 0.000 2.735 420 V HA 0.506 4.627 4.120 0.001 0.000 0.310 420 V C -1.191 174.951 176.094 0.080 0.000 1.061 420 V CA -0.307 62.075 62.300 0.136 0.000 0.913 420 V CB 2.220 34.208 31.823 0.275 0.000 1.005 420 V HN 0.884 nan 8.190 nan 0.000 0.428 421 D N 3.655 124.077 120.400 0.035 0.000 2.383 421 D HA 0.206 4.847 4.640 0.001 0.000 0.248 421 D C 1.190 177.461 176.300 -0.047 0.000 1.170 421 D CA 0.191 54.180 54.000 -0.018 0.000 0.977 421 D CB 0.479 41.227 40.800 -0.085 0.000 1.120 421 D HN 0.721 nan 8.370 nan 0.000 0.481 422 H N -0.582 118.395 119.070 -0.154 0.000 2.495 422 H HA -0.084 4.472 4.556 0.001 0.000 0.287 422 H C 0.949 176.169 175.328 -0.181 0.000 1.033 422 H CA 1.074 57.005 56.048 -0.194 0.000 1.307 422 H CB -0.491 29.103 29.762 -0.279 0.000 1.401 422 H HN 0.488 nan 8.280 nan 0.000 0.555 423 H N 1.525 120.422 119.070 -0.289 0.000 2.268 423 H HA 0.133 4.689 4.556 0.001 0.000 0.304 423 H C 2.591 177.905 175.328 -0.024 0.000 1.064 423 H CA 1.339 57.305 56.048 -0.137 0.000 1.316 423 H CB -0.557 29.090 29.762 -0.192 0.000 1.386 423 H HN 0.461 nan 8.280 nan 0.000 0.496 424 A N 1.527 124.406 122.820 0.098 0.000 1.948 424 A HA -0.184 4.137 4.320 0.001 0.000 0.220 424 A C 2.677 180.331 177.584 0.117 0.000 1.177 424 A CA 2.144 54.237 52.037 0.094 0.000 0.636 424 A CB -0.886 18.159 19.000 0.074 0.000 0.815 424 A HN 0.476 nan 8.150 nan 0.000 0.449 425 A N -0.488 122.398 122.820 0.110 0.000 1.898 425 A HA -0.061 4.260 4.320 0.001 0.000 0.216 425 A C 2.435 180.114 177.584 0.158 0.000 1.181 425 A CA 2.405 54.526 52.037 0.140 0.000 0.620 425 A CB -1.314 17.758 19.000 0.120 0.000 0.819 425 A HN 0.775 nan 8.150 nan 0.000 0.442 426 T N -2.714 111.920 114.554 0.133 0.000 2.904 426 T HA -0.052 4.299 4.350 0.001 0.000 0.267 426 T C 1.684 176.518 174.700 0.223 0.000 1.059 426 T CA 1.285 63.484 62.100 0.165 0.000 1.137 426 T CB -0.606 68.330 68.868 0.114 0.000 0.879 426 T HN 0.036 nan 8.240 nan 0.000 0.467 427 V N 2.766 122.786 119.914 0.176 0.000 2.295 427 V HA -0.171 3.950 4.120 0.001 0.000 0.246 427 V C 3.217 179.405 176.094 0.156 0.000 1.049 427 V CA 2.097 64.490 62.300 0.155 0.000 1.024 427 V CB -0.957 30.937 31.823 0.118 0.000 0.648 427 V HN 0.786 nan 8.190 nan 0.000 0.447 428 S N -0.168 115.631 115.700 0.165 0.000 2.399 428 S HA -0.253 4.218 4.470 0.001 0.000 0.231 428 S C 1.987 176.700 174.600 0.188 0.000 1.022 428 S CA 1.745 60.040 58.200 0.158 0.000 0.983 428 S CB -0.744 62.554 63.200 0.164 0.000 0.803 428 S HN 0.528 nan 8.310 nan 0.000 0.480 429 F N 2.175 122.182 119.950 0.095 0.000 2.146 429 F HA 0.048 4.576 4.527 0.001 0.000 0.298 429 F C 2.320 178.203 175.800 0.138 0.000 1.096 429 F CA 1.429 59.496 58.000 0.111 0.000 1.275 429 F CB -0.323 38.723 39.000 0.076 0.000 1.008 429 F HN 0.104 nan 8.300 nan 0.000 0.480 430 M N 0.264 119.961 119.600 0.162 0.000 2.106 430 M HA -0.235 4.246 4.480 0.001 0.000 0.259 430 M C 2.186 178.474 176.300 -0.019 0.000 1.068 430 M CA 1.705 57.045 55.300 0.067 0.000 1.100 430 M CB -1.324 31.353 32.600 0.127 0.000 1.351 430 M HN 0.107 nan 8.290 nan 0.000 0.404 431 K N -0.506 119.904 120.400 0.017 0.000 2.057 431 K HA -0.189 4.132 4.320 0.001 0.000 0.206 431 K C 1.988 178.569 176.600 -0.033 0.000 1.050 431 K CA 1.619 57.908 56.287 0.004 0.000 0.935 431 K CB -0.525 31.998 32.500 0.039 0.000 0.715 431 K HN 0.316 nan 8.250 nan 0.000 0.439 432 H N 0.342 119.312 119.070 -0.166 0.000 2.289 432 H HA -0.132 4.425 4.556 0.001 0.000 0.294 432 H C 1.677 176.836 175.328 -0.281 0.000 1.095 432 H CA 2.486 58.396 56.048 -0.229 0.000 1.256 432 H CB -0.347 29.196 29.762 -0.364 0.000 1.359 432 H HN 0.182 nan 8.280 nan 0.000 0.487 433 L N -0.426 120.533 121.223 -0.439 0.000 2.012 433 L HA -0.199 4.142 4.340 0.001 0.000 0.210 433 L C 2.392 179.119 176.870 -0.239 0.000 1.073 433 L CA 1.886 56.498 54.840 -0.379 0.000 0.748 433 L CB -0.519 41.383 42.059 -0.262 0.000 0.891 433 L HN 0.379 nan 8.230 nan 0.000 0.431 434 D N -0.158 120.147 120.400 -0.158 0.000 2.097 434 D HA -0.186 4.454 4.640 0.001 0.000 0.195 434 D C 1.944 178.180 176.300 -0.107 0.000 0.989 434 D CA 1.175 55.116 54.000 -0.100 0.000 0.827 434 D CB 0.066 40.833 40.800 -0.055 0.000 0.966 434 D HN 0.171 nan 8.370 nan 0.000 0.456 435 N N 0.518 119.146 118.700 -0.120 0.000 2.104 435 N HA -0.138 4.602 4.740 0.001 0.000 0.190 435 N C 1.606 177.038 175.510 -0.130 0.000 1.024 435 N CA 0.868 53.864 53.050 -0.091 0.000 0.853 435 N CB -0.260 38.203 38.487 -0.040 0.000 1.008 435 N HN 0.365 nan 8.380 nan 0.000 0.424 436 E N 0.637 120.675 120.200 -0.269 0.000 2.107 436 E HA -0.140 4.211 4.350 0.001 0.000 0.191 436 E C 1.876 178.387 176.600 -0.149 0.000 0.982 436 E CA 0.492 56.734 56.400 -0.264 0.000 0.809 436 E CB -0.152 29.276 29.700 -0.453 0.000 0.756 436 E HN 0.287 nan 8.360 nan 0.000 0.459 437 Q N 1.445 121.167 119.800 -0.131 0.000 2.112 437 Q HA -0.157 4.184 4.340 0.001 0.000 0.206 437 Q C 1.731 177.696 176.000 -0.058 0.000 0.987 437 Q CA 1.780 57.538 55.803 -0.075 0.000 0.858 437 Q CB 0.012 28.713 28.738 -0.061 0.000 0.905 437 Q HN 0.124 nan 8.270 nan 0.000 0.420 438 K N -1.370 118.996 120.400 -0.057 0.000 2.137 438 K HA 0.140 4.461 4.320 0.001 0.000 0.202 438 K C 1.942 178.523 176.600 -0.032 0.000 1.052 438 K CA 0.739 57.003 56.287 -0.039 0.000 0.961 438 K CB -0.038 32.444 32.500 -0.031 0.000 0.741 438 K HN 0.204 nan 8.250 nan 0.000 0.452 439 A N 1.080 123.882 122.820 -0.030 0.000 1.872 439 A HA -0.047 4.274 4.320 0.001 0.000 0.214 439 A C 1.867 179.439 177.584 -0.021 0.000 1.187 439 A CA 1.258 53.289 52.037 -0.009 0.000 0.614 439 A CB -0.016 18.998 19.000 0.025 0.000 0.826 439 A HN 0.111 nan 8.150 nan 0.000 0.442 440 R N -2.780 117.696 120.500 -0.041 0.000 2.531 440 R HA 0.245 4.586 4.340 0.001 0.000 0.316 440 R C 0.742 177.019 176.300 -0.039 0.000 0.955 440 R CA 0.592 56.669 56.100 -0.038 0.000 1.120 440 R CB 0.802 31.072 30.300 -0.051 0.000 1.361 440 R HN 0.724 nan 8.270 nan 0.000 0.534 441 G N 0.747 109.520 108.800 -0.046 0.000 2.160 441 G HA2 -0.182 3.779 3.960 0.001 0.000 0.244 441 G HA3 -0.182 3.779 3.960 0.001 0.000 0.244 441 G C 0.191 175.083 174.900 -0.012 0.000 1.022 441 G CA 0.151 45.223 45.100 -0.047 0.000 0.741 441 G HN 0.727 nan 8.290 nan 0.000 0.508 442 G N -2.393 106.404 108.800 -0.005 0.000 2.369 442 G HA2 0.522 4.482 3.960 0.001 0.000 0.293 442 G HA3 0.522 4.482 3.960 0.001 0.000 0.293 442 G C -0.687 174.226 174.900 0.021 0.000 1.301 442 G CA 0.514 45.640 45.100 0.042 0.000 0.913 442 G HN 2.051 nan 8.290 nan 0.000 0.540 443 C N 1.833 121.171 119.300 0.063 0.000 2.928 443 C HA 0.692 5.153 4.460 0.001 0.000 0.396 443 C C -2.590 172.378 174.990 -0.037 0.000 1.052 443 C CA -0.991 58.016 59.018 -0.018 0.000 1.251 443 C CB 1.016 28.686 27.740 -0.116 0.000 1.684 443 C HN 0.753 nan 8.230 nan 0.000 0.501 444 P HA 0.442 nan 4.420 nan 0.000 0.271 444 P C -0.632 176.569 177.300 -0.164 0.000 1.220 444 P CA 0.544 63.287 63.100 -0.595 0.000 0.768 444 P CB 1.090 32.180 31.700 -1.017 0.000 0.848 445 A N 2.174 124.956 122.820 -0.063 0.000 2.520 445 A HA 0.442 4.763 4.320 0.001 0.000 0.298 445 A C -1.213 176.424 177.584 0.089 0.000 1.051 445 A CA -0.515 51.577 52.037 0.092 0.000 0.690 445 A CB 1.332 20.505 19.000 0.288 0.000 1.281 445 A HN 0.433 nan 8.150 nan 0.000 0.402 446 D N 1.730 122.179 120.400 0.081 0.000 2.485 446 D HA 0.154 4.795 4.640 0.001 0.000 0.229 446 D C 0.831 177.264 176.300 0.222 0.000 1.101 446 D CA -0.518 53.567 54.000 0.142 0.000 0.906 446 D CB 0.232 41.075 40.800 0.072 0.000 1.019 446 D HN 0.579 nan 8.370 nan 0.000 0.516 447 W N 4.035 125.377 121.300 0.070 0.000 2.290 447 W HA -0.356 4.305 4.660 0.002 0.000 0.318 447 W C 1.893 178.441 176.519 0.048 0.000 1.248 447 W CA 2.553 59.921 57.345 0.038 0.000 1.263 447 W CB 0.035 29.495 29.460 0.001 0.000 1.147 447 W HN 0.543 nan 8.180 nan 0.000 0.494 448 A N -1.968 121.095 122.820 0.404 0.000 2.121 448 A HA -0.126 4.195 4.320 0.001 0.000 0.218 448 A C 1.306 178.858 177.584 -0.053 0.000 1.154 448 A CA 1.409 53.589 52.037 0.237 0.000 0.679 448 A CB -1.037 18.141 19.000 0.297 0.000 0.795 448 A HN 0.522 nan 8.150 nan 0.000 0.458 449 W N -1.380 119.866 121.300 -0.089 0.000 2.842 449 W HA 0.265 4.926 4.660 0.002 0.000 0.267 449 W C 1.686 178.076 176.519 -0.215 0.000 1.219 449 W CA -0.288 56.989 57.345 -0.114 0.000 1.458 449 W CB 0.087 29.512 29.460 -0.058 0.000 1.006 449 W HN 0.091 nan 8.180 nan 0.000 0.603 450 I N 0.015 120.520 120.570 -0.108 0.000 2.406 450 I HA -0.053 4.117 4.170 0.001 0.000 0.249 450 I C 0.686 176.565 176.117 -0.396 0.000 1.122 450 I CA 0.807 61.898 61.300 -0.349 0.000 1.431 450 I CB -1.394 36.300 38.000 -0.509 0.000 1.087 450 I HN -0.407 nan 8.210 nan 0.000 0.424 451 V N 4.868 124.463 119.914 -0.533 0.000 2.479 451 V HA 0.085 4.206 4.120 0.001 0.000 0.281 451 V C -1.603 174.303 176.094 -0.314 0.000 1.031 451 V CA -1.052 60.943 62.300 -0.509 0.000 1.038 451 V CB 0.211 31.506 31.823 -0.880 0.000 0.981 451 V HN 0.162 nan 8.190 nan 0.000 0.478 452 P HA 0.192 nan 4.420 nan 0.000 0.272 452 P C -2.356 174.814 177.300 -0.215 0.000 1.254 452 P CA -1.355 61.626 63.100 -0.199 0.000 0.795 452 P CB 0.050 31.648 31.700 -0.171 0.000 1.022 453 P HA 0.220 nan 4.420 nan 0.000 0.255 453 P C 0.131 177.312 177.300 -0.197 0.000 1.248 453 P CA 0.419 63.394 63.100 -0.208 0.000 0.807 453 P CB -0.062 31.514 31.700 -0.207 0.000 1.150 454 I N -6.810 113.610 120.570 -0.249 0.000 2.969 454 I HA 0.541 4.712 4.170 0.001 0.000 0.307 454 I C -0.271 175.723 176.117 -0.205 0.000 1.149 454 I CA -1.220 59.947 61.300 -0.221 0.000 1.008 454 I CB 1.956 39.806 38.000 -0.250 0.000 1.232 454 I HN -0.371 nan 8.210 nan 0.000 0.435 455 S N 1.722 117.354 115.700 -0.114 0.000 3.581 455 S HA -0.187 4.284 4.470 0.001 0.000 0.354 455 S C 1.201 175.778 174.600 -0.038 0.000 1.059 455 S CA 0.775 58.952 58.200 -0.038 0.000 1.060 455 S CB -1.905 61.336 63.200 0.068 0.000 0.908 455 S HN 1.256 nan 8.310 nan 0.000 0.475 456 G N 2.223 110.973 108.800 -0.084 0.000 2.459 456 G HA2 -0.214 3.747 3.960 0.001 0.000 0.217 456 G HA3 -0.214 3.747 3.960 0.001 0.000 0.217 456 G C 1.485 176.305 174.900 -0.133 0.000 1.183 456 G CA 1.293 46.362 45.100 -0.052 0.000 0.776 456 G HN 1.187 nan 8.290 nan 0.000 0.552 457 S N 0.087 115.466 115.700 -0.535 0.000 2.474 457 S HA 0.042 4.513 4.470 0.001 0.000 0.235 457 S C 2.150 176.664 174.600 -0.143 0.000 0.997 457 S CA 0.733 58.368 58.200 -0.942 0.000 0.949 457 S CB -0.157 62.293 63.200 -1.249 0.000 0.766 457 S HN 0.040 nan 8.310 nan 0.000 0.517 458 L N 2.535 123.742 121.223 -0.028 0.000 2.275 458 L HA 0.152 4.493 4.340 0.001 0.000 0.215 458 L C 1.560 178.554 176.870 0.207 0.000 1.119 458 L CA 1.079 55.987 54.840 0.114 0.000 0.790 458 L CB -1.522 40.633 42.059 0.160 0.000 0.919 458 L HN 0.649 nan 8.230 nan 0.000 0.443 459 T N -4.285 110.397 114.554 0.214 0.000 2.943 459 T HA 0.364 4.715 4.350 0.001 0.000 0.284 459 T C -1.779 173.103 174.700 0.303 0.000 1.015 459 T CA -1.799 60.448 62.100 0.244 0.000 1.042 459 T CB 1.734 70.710 68.868 0.180 0.000 1.055 459 T HN -0.130 nan 8.240 nan 0.000 0.500 460 P HA 0.028 nan 4.420 nan 0.000 0.231 460 P C 1.755 179.271 177.300 0.361 0.000 1.168 460 P CA 0.433 63.732 63.100 0.332 0.000 0.779 460 P CB -0.382 31.455 31.700 0.227 0.000 0.844 461 V N -3.826 116.247 119.914 0.265 0.000 2.626 461 V HA -0.178 3.943 4.120 0.001 0.000 0.252 461 V C 2.273 178.478 176.094 0.184 0.000 1.067 461 V CA 1.018 63.438 62.300 0.201 0.000 1.081 461 V CB -2.184 29.663 31.823 0.040 0.000 0.686 461 V HN -0.116 nan 8.190 nan 0.000 0.468 462 F N 1.876 121.843 119.950 0.027 0.000 2.154 462 F HA -0.206 4.321 4.527 0.001 0.000 0.301 462 F C 2.426 178.365 175.800 0.230 0.000 1.087 462 F CA 2.338 60.379 58.000 0.068 0.000 1.274 462 F CB -0.269 38.631 39.000 -0.167 0.000 1.009 462 F HN 0.288 nan 8.300 nan 0.000 0.485 463 H N -1.201 118.193 119.070 0.539 0.000 2.526 463 H HA 0.129 4.686 4.556 0.001 0.000 0.274 463 H C 0.193 175.767 175.328 0.410 0.000 0.999 463 H CA 0.170 56.491 56.048 0.455 0.000 1.157 463 H CB -0.058 29.958 29.762 0.422 0.000 1.407 463 H HN 0.233 nan 8.280 nan 0.000 0.568 464 Q N 1.881 121.964 119.800 0.471 0.000 2.325 464 Q HA 0.178 4.518 4.340 0.001 0.000 0.262 464 Q C -0.566 175.676 176.000 0.402 0.000 0.968 464 Q CA -0.450 55.587 55.803 0.391 0.000 0.877 464 Q CB 0.941 29.884 28.738 0.342 0.000 1.253 464 Q HN 0.233 nan 8.270 nan 0.000 0.448 465 E N 3.159 123.541 120.200 0.303 0.000 2.390 465 E HA 0.340 4.691 4.350 0.001 0.000 0.261 465 E C -0.531 176.213 176.600 0.240 0.000 1.076 465 E CA 0.131 56.667 56.400 0.226 0.000 0.905 465 E CB 0.870 30.679 29.700 0.182 0.000 0.984 465 E HN 0.588 nan 8.360 nan 0.000 0.427 466 M N 1.485 121.221 119.600 0.227 0.000 2.378 466 M HA 0.283 4.764 4.480 0.001 0.000 0.289 466 M C -1.316 175.095 176.300 0.184 0.000 1.136 466 M CA -0.845 54.598 55.300 0.238 0.000 0.917 466 M CB 2.371 35.170 32.600 0.332 0.000 1.669 466 M HN 0.154 nan 8.290 nan 0.000 0.461 467 V N 2.161 122.186 119.914 0.185 0.000 2.427 467 V HA 0.491 4.612 4.120 0.001 0.000 0.286 467 V C -0.435 175.748 176.094 0.149 0.000 1.034 467 V CA -0.673 61.762 62.300 0.224 0.000 0.893 467 V CB 1.510 33.542 31.823 0.349 0.000 0.982 467 V HN 0.785 nan 8.190 nan 0.000 0.452 468 N N 3.541 122.334 118.700 0.155 0.000 2.372 468 N HA 0.658 5.399 4.740 0.001 0.000 0.285 468 N C -1.301 174.277 175.510 0.113 0.000 1.008 468 N CA -0.456 52.598 53.050 0.007 0.000 0.880 468 N CB 1.527 40.041 38.487 0.045 0.000 1.239 468 N HN 0.687 nan 8.380 nan 0.000 0.484 469 Y N 0.288 120.613 120.300 0.043 0.000 2.641 469 Y HA 0.546 5.097 4.550 0.001 0.000 0.333 469 Y C -1.232 174.678 175.900 0.017 0.000 1.174 469 Y CA -1.199 56.920 58.100 0.031 0.000 1.057 469 Y CB 0.681 39.163 38.460 0.036 0.000 1.322 469 Y HN 0.206 nan 8.280 nan 0.000 0.457 470 I N 3.515 124.186 120.570 0.169 0.000 2.321 470 I HA 0.418 4.589 4.170 0.001 0.000 0.291 470 I C -0.628 175.565 176.117 0.127 0.000 0.998 470 I CA -0.397 60.947 61.300 0.074 0.000 1.227 470 I CB 1.024 39.047 38.000 0.038 0.000 1.368 470 I HN 0.460 nan 8.210 nan 0.000 0.466 471 L N 4.897 126.170 121.223 0.083 0.000 2.322 471 L HA 0.583 4.924 4.340 0.001 0.000 0.269 471 L C 0.037 176.925 176.870 0.031 0.000 1.012 471 L CA -0.531 54.362 54.840 0.089 0.000 0.815 471 L CB 2.079 44.196 42.059 0.097 0.000 1.295 471 L HN 0.538 nan 8.230 nan 0.000 0.438 472 S N 1.335 117.061 115.700 0.043 0.000 2.568 472 S HA 0.636 5.107 4.470 0.001 0.000 0.302 472 S C -2.592 172.044 174.600 0.059 0.000 1.082 472 S CA -1.503 56.712 58.200 0.025 0.000 1.009 472 S CB 1.833 65.056 63.200 0.039 0.000 1.069 472 S HN 0.221 nan 8.310 nan 0.000 0.500 473 P HA 0.297 nan 4.420 nan 0.000 0.266 473 P C -1.299 175.919 177.300 -0.138 0.000 1.186 473 P CA 0.122 63.171 63.100 -0.085 0.000 0.767 473 P CB 0.406 32.025 31.700 -0.135 0.000 0.820 474 A N 1.998 124.700 122.820 -0.196 0.000 2.556 474 A HA 0.718 5.039 4.320 0.001 0.000 0.294 474 A C -1.392 176.005 177.584 -0.311 0.000 1.091 474 A CA -0.505 51.423 52.037 -0.182 0.000 0.704 474 A CB 0.877 19.821 19.000 -0.093 0.000 1.300 474 A HN 0.316 nan 8.150 nan 0.000 0.406 475 F N 1.337 121.214 119.950 -0.121 0.000 2.404 475 F HA 0.671 5.199 4.527 0.001 0.000 0.339 475 F C 1.175 176.857 175.800 -0.198 0.000 1.105 475 F CA 0.179 58.105 58.000 -0.124 0.000 1.087 475 F CB 1.573 40.486 39.000 -0.144 0.000 1.143 475 F HN 0.748 nan 8.300 nan 0.000 0.491 476 R N 1.206 121.696 120.500 -0.016 0.000 2.831 476 R HA 0.572 4.913 4.340 0.001 0.000 0.266 476 R C -1.872 174.324 176.300 -0.175 0.000 1.051 476 R CA -1.056 54.910 56.100 -0.224 0.000 0.943 476 R CB 1.083 31.298 30.300 -0.141 0.000 1.228 476 R HN 0.381 nan 8.270 nan 0.000 0.467 477 Y N 0.619 120.941 120.300 0.036 0.000 2.300 477 Y HA 0.259 4.809 4.550 0.001 0.000 0.328 477 Y C 0.429 176.327 175.900 -0.004 0.000 1.270 477 Y CA -0.384 57.725 58.100 0.015 0.000 1.352 477 Y CB 0.874 39.328 38.460 -0.010 0.000 1.286 477 Y HN 0.595 nan 8.280 nan 0.000 0.536 478 Q N 1.185 121.077 119.800 0.153 0.000 2.456 478 Q HA 0.623 4.963 4.340 0.001 0.000 0.284 478 Q C -3.058 172.919 176.000 -0.039 0.000 1.061 478 Q CA -2.350 53.477 55.803 0.040 0.000 0.799 478 Q CB 2.057 30.808 28.738 0.022 0.000 1.445 478 Q HN 0.355 nan 8.270 nan 0.000 0.411 479 P HA 0.128 nan 4.420 nan 0.000 0.271 479 P C -0.837 176.265 177.300 -0.330 0.000 1.216 479 P CA -0.138 62.838 63.100 -0.206 0.000 0.776 479 P CB 0.471 32.055 31.700 -0.193 0.000 0.881 480 D N 3.588 123.661 120.400 -0.545 0.000 2.472 480 D HA -0.002 4.639 4.640 0.001 0.000 0.237 480 D C -1.284 174.437 176.300 -0.965 0.000 1.141 480 D CA -0.793 52.626 54.000 -0.970 0.000 0.875 480 D CB 0.044 39.752 40.800 -1.820 0.000 1.192 480 D HN 0.320 nan 8.370 nan 0.000 0.450 481 P HA 0.058 nan 4.420 nan 0.000 0.253 481 P C -0.435 176.612 177.300 -0.421 0.000 1.281 481 P CA 0.117 62.898 63.100 -0.531 0.000 0.792 481 P CB -0.299 31.085 31.700 -0.527 0.000 1.193 482 W N 0.000 120.983 121.300 -0.528 0.000 2.388 482 W HA 0.000 4.661 4.660 0.001 0.000 0.303 482 W CA 0.000 57.154 57.345 -0.319 0.000 1.226 482 W CB 0.000 29.244 29.460 -0.361 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535