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 1dmi_1_B DATA FIRST_RESID 69 DATA SEQUENCE KFPRVKNWEL GSITYDTLCA QSQQDGPCTP RRCLGSLVLP RKLQTRPSPG DATA SEQUENCE PPPAEQLLSQ 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 0.000 176.640 176.600 0.066 0.000 0.988 69 K CA 0.000 56.200 56.287 -0.145 0.000 0.838 69 K CB 0.000 32.335 32.500 -0.276 0.000 1.064 70 F N 4.771 124.732 119.950 0.018 0.000 2.413 70 F HA 0.349 4.877 4.527 0.002 0.000 0.359 70 F C -2.017 173.857 175.800 0.122 0.000 1.122 70 F CA -2.377 55.654 58.000 0.051 0.000 1.160 70 F CB 0.392 39.420 39.000 0.046 0.000 1.146 70 F HN -0.260 nan 8.300 nan 0.000 0.514 71 P HA -0.057 nan 4.420 nan 0.000 0.261 71 P C -0.481 176.917 177.300 0.163 0.000 1.183 71 P CA -0.034 63.171 63.100 0.176 0.000 0.761 71 P CB 0.452 32.226 31.700 0.124 0.000 0.785 72 R N 3.916 124.473 120.500 0.095 0.000 2.235 72 R HA 0.291 4.632 4.340 0.002 0.000 0.338 72 R C -1.030 175.189 176.300 -0.136 0.000 1.087 72 R CA -0.445 55.577 56.100 -0.129 0.000 0.948 72 R CB 0.042 30.312 30.300 -0.051 0.000 1.099 72 R HN 0.204 nan 8.270 nan 0.000 0.483 73 V N 4.886 124.697 119.914 -0.172 0.000 2.509 73 V HA 0.297 4.418 4.120 0.002 0.000 0.284 73 V C 0.143 176.147 176.094 -0.150 0.000 1.047 73 V CA -0.387 61.861 62.300 -0.088 0.000 0.952 73 V CB 1.347 33.157 31.823 -0.023 0.000 0.988 73 V HN 0.690 nan 8.190 nan 0.000 0.469 74 K N 3.699 124.029 120.400 -0.116 0.000 2.375 74 K HA 0.422 4.743 4.320 0.002 0.000 0.249 74 K C -0.896 175.590 176.600 -0.190 0.000 0.942 74 K CA -0.786 55.350 56.287 -0.252 0.000 0.806 74 K CB 1.758 33.965 32.500 -0.489 0.000 1.227 74 K HN 0.702 nan 8.250 nan 0.000 0.430 75 N N 3.487 122.056 118.700 -0.218 0.000 2.417 75 N HA 0.142 4.883 4.740 0.002 0.000 0.274 75 N C -0.407 175.016 175.510 -0.144 0.000 0.987 75 N CA -0.394 52.636 53.050 -0.032 0.000 0.912 75 N CB 0.571 39.073 38.487 0.025 0.000 1.177 75 N HN 0.666 nan 8.380 nan 0.000 0.490 76 W N 1.910 123.289 121.300 0.132 0.000 2.905 76 W HA 0.174 4.836 4.660 0.002 0.000 0.251 76 W C 1.994 178.557 176.519 0.073 0.000 1.305 76 W CA -0.164 57.250 57.345 0.114 0.000 1.465 76 W CB 0.294 29.851 29.460 0.161 0.000 1.122 76 W HN 0.666 nan 8.180 nan 0.000 0.659 77 E N 0.429 120.762 120.200 0.222 0.000 2.170 77 E HA -0.073 4.278 4.350 0.002 0.000 0.191 77 E C 1.597 178.219 176.600 0.037 0.000 0.981 77 E CA 0.947 57.380 56.400 0.055 0.000 0.830 77 E CB -0.034 29.666 29.700 -0.000 0.000 0.775 77 E HN 0.284 nan 8.360 nan 0.000 0.470 78 L N -1.521 119.723 121.223 0.034 0.000 2.642 78 L HA 0.394 4.735 4.340 0.002 0.000 0.233 78 L C 1.530 178.379 176.870 -0.035 0.000 1.077 78 L CA 0.361 55.202 54.840 0.001 0.000 0.879 78 L CB 0.778 42.840 42.059 0.005 0.000 1.151 78 L HN 0.339 nan 8.230 nan 0.000 0.495 79 G N 0.862 109.612 108.800 -0.082 0.000 2.179 79 G HA2 -0.306 3.655 3.960 0.002 0.000 0.260 79 G HA3 -0.306 3.655 3.960 0.002 0.000 0.260 79 G C 0.409 175.211 174.900 -0.163 0.000 0.977 79 G CA 0.407 45.416 45.100 -0.152 0.000 0.641 79 G HN 0.449 nan 8.290 nan 0.000 0.533 80 S N -0.353 115.272 115.700 -0.125 0.000 2.585 80 S HA 0.739 5.210 4.470 0.002 0.000 0.273 80 S C 0.161 174.665 174.600 -0.160 0.000 1.339 80 S CA -0.249 57.885 58.200 -0.111 0.000 1.028 80 S CB 1.999 65.159 63.200 -0.066 0.000 0.906 80 S HN 0.641 nan 8.310 nan 0.000 0.528 81 I N 1.298 121.776 120.570 -0.153 0.000 2.730 81 I HA 0.555 4.726 4.170 0.002 0.000 0.298 81 I C -0.179 175.810 176.117 -0.213 0.000 1.089 81 I CA -0.520 60.648 61.300 -0.220 0.000 1.041 81 I CB 2.720 40.565 38.000 -0.259 0.000 1.235 81 I HN 1.001 nan 8.210 nan 0.000 0.423 82 T N 0.744 115.125 114.554 -0.289 0.000 2.864 82 T HA 0.614 4.965 4.350 0.002 0.000 0.299 82 T C -1.453 173.021 174.700 -0.377 0.000 1.166 82 T CA -0.765 61.205 62.100 -0.216 0.000 1.007 82 T CB 1.630 70.445 68.868 -0.087 0.000 1.219 82 T HN 0.291 nan 8.240 nan 0.000 0.506 83 Y N 0.437 120.732 120.300 -0.008 0.000 2.341 83 Y HA 0.458 5.009 4.550 0.002 0.000 0.338 83 Y C 0.101 175.978 175.900 -0.038 0.000 0.965 83 Y CA -0.953 57.149 58.100 0.003 0.000 1.108 83 Y CB 1.630 40.104 38.460 0.023 0.000 1.180 83 Y HN 0.704 nan 8.280 nan 0.000 0.458 84 D N 2.418 122.879 120.400 0.102 0.000 2.365 84 D HA 0.061 4.702 4.640 0.002 0.000 0.237 84 D C 0.667 176.911 176.300 -0.093 0.000 1.190 84 D CA 0.176 54.191 54.000 0.025 0.000 0.867 84 D CB 1.124 41.968 40.800 0.073 0.000 1.050 84 D HN 0.801 nan 8.370 nan 0.000 0.491 85 T N 1.062 115.492 114.554 -0.206 0.000 3.040 85 T HA -0.034 4.317 4.350 0.002 0.000 0.250 85 T C 1.760 176.291 174.700 -0.281 0.000 1.058 85 T CA -0.291 61.552 62.100 -0.429 0.000 0.988 85 T CB 0.204 68.754 68.868 -0.530 0.000 0.993 85 T HN 0.241 nan 8.240 nan 0.000 0.519 86 L N 2.401 123.521 121.223 -0.171 0.000 2.156 86 L HA 0.095 4.436 4.340 0.002 0.000 0.208 86 L C 2.617 179.327 176.870 -0.266 0.000 1.095 86 L CA 1.060 55.834 54.840 -0.110 0.000 0.770 86 L CB -0.899 41.190 42.059 0.051 0.000 0.914 86 L HN 0.647 nan 8.230 nan 0.000 0.439 87 C N -1.487 117.438 119.300 -0.624 0.000 2.409 87 C HA 0.027 4.488 4.460 0.002 0.000 0.288 87 C C 2.747 177.474 174.990 -0.439 0.000 1.395 87 C CA 0.209 58.550 59.018 -1.128 0.000 1.792 87 C CB -2.224 24.842 27.740 -1.123 0.000 1.847 87 C HN 0.560 nan 8.230 nan 0.000 0.534 88 A N 0.352 123.033 122.820 -0.231 0.000 2.067 88 A HA -0.064 4.257 4.320 0.002 0.000 0.219 88 A C 2.271 179.820 177.584 -0.059 0.000 1.158 88 A CA 1.338 53.327 52.037 -0.080 0.000 0.661 88 A CB -0.380 18.611 19.000 -0.017 0.000 0.801 88 A HN 0.697 nan 8.150 nan 0.000 0.452 89 Q N 0.114 119.869 119.800 -0.074 0.000 2.432 89 Q HA 0.055 4.396 4.340 0.002 0.000 0.205 89 Q C 0.888 176.895 176.000 0.012 0.000 0.945 89 Q CA 0.498 56.292 55.803 -0.015 0.000 0.924 89 Q CB -0.691 28.049 28.738 0.004 0.000 1.016 89 Q HN 0.488 nan 8.270 nan 0.000 0.503 90 S N 1.557 117.254 115.700 -0.005 0.000 2.481 90 S HA 0.006 4.477 4.470 0.002 0.000 0.282 90 S C 0.841 175.464 174.600 0.038 0.000 1.243 90 S CA -0.116 58.115 58.200 0.051 0.000 1.078 90 S CB 0.384 63.625 63.200 0.069 0.000 0.916 90 S HN 0.091 nan 8.310 nan 0.000 0.495 91 Q N 2.445 122.274 119.800 0.048 0.000 2.317 91 Q HA 0.191 4.532 4.340 0.002 0.000 0.220 91 Q C 0.277 176.300 176.000 0.038 0.000 0.873 91 Q CA 0.230 56.056 55.803 0.038 0.000 0.936 91 Q CB 0.132 28.894 28.738 0.039 0.000 1.105 91 Q HN 0.778 nan 8.270 nan 0.000 0.520 92 Q N 1.362 121.190 119.800 0.046 0.000 2.230 92 Q HA 0.219 4.560 4.340 0.002 0.000 0.253 92 Q C -1.094 174.935 176.000 0.048 0.000 0.919 92 Q CA -0.137 55.690 55.803 0.040 0.000 0.908 92 Q CB 1.046 29.805 28.738 0.035 0.000 1.245 92 Q HN -0.147 nan 8.270 nan 0.000 0.437 93 D N 1.660 122.083 120.400 0.039 0.000 2.294 93 D HA 0.533 5.174 4.640 0.002 0.000 0.250 93 D C -0.128 176.198 176.300 0.044 0.000 1.058 93 D CA -0.003 54.022 54.000 0.042 0.000 0.950 93 D CB 1.444 42.263 40.800 0.032 0.000 1.158 93 D HN 0.690 nan 8.370 nan 0.000 0.453 94 G N 0.029 108.859 108.800 0.050 0.000 2.671 94 G HA2 0.400 4.361 3.960 0.002 0.000 0.275 94 G HA3 0.400 4.361 3.960 0.002 0.000 0.275 94 G C -1.610 173.314 174.900 0.041 0.000 1.368 94 G CA -0.640 44.489 45.100 0.048 0.000 1.044 94 G HN 0.327 nan 8.290 nan 0.000 0.543 95 P HA 0.123 nan 4.420 nan 0.000 0.226 95 P C 0.601 177.921 177.300 0.034 0.000 1.161 95 P CA 0.033 63.154 63.100 0.035 0.000 0.804 95 P CB 0.132 31.854 31.700 0.037 0.000 0.829 96 C N 1.338 120.661 119.300 0.039 0.000 2.727 96 C HA 0.415 4.876 4.460 0.002 0.000 0.401 96 C C 1.188 176.196 174.990 0.030 0.000 1.294 96 C CA 0.453 59.493 59.018 0.036 0.000 2.134 96 C CB -0.099 27.666 27.740 0.043 0.000 2.724 96 C HN 0.443 nan 8.230 nan 0.000 0.677 97 T N -1.502 113.067 114.554 0.025 0.000 2.821 97 T HA 0.391 4.742 4.350 0.002 0.000 0.306 97 T C -2.506 172.204 174.700 0.018 0.000 1.313 97 T CA -1.001 61.111 62.100 0.020 0.000 1.012 97 T CB 1.345 70.223 68.868 0.016 0.000 1.298 97 T HN 0.258 nan 8.240 nan 0.000 0.502 98 P HA 0.080 nan 4.420 nan 0.000 0.222 98 P C 1.338 178.644 177.300 0.010 0.000 1.147 98 P CA 0.642 63.749 63.100 0.012 0.000 0.790 98 P CB 0.141 31.847 31.700 0.009 0.000 0.780 99 R N -0.630 119.875 120.500 0.009 0.000 2.127 99 R HA 0.081 4.422 4.340 0.002 0.000 0.217 99 R C 0.902 177.207 176.300 0.008 0.000 1.074 99 R CA 0.705 56.809 56.100 0.007 0.000 0.991 99 R CB -0.045 30.259 30.300 0.007 0.000 0.895 99 R HN 0.225 nan 8.270 nan 0.000 0.450 100 R N -0.089 120.417 120.500 0.010 0.000 2.629 100 R HA 0.182 4.523 4.340 0.002 0.000 0.266 100 R C -1.676 174.633 176.300 0.015 0.000 1.051 100 R CA -0.702 55.404 56.100 0.011 0.000 0.895 100 R CB 0.545 30.851 30.300 0.010 0.000 1.246 100 R HN 0.022 nan 8.270 nan 0.000 0.459 101 C N 3.971 123.280 119.300 0.015 0.000 2.307 101 C HA 0.597 5.058 4.460 0.002 0.000 0.340 101 C C 0.617 175.622 174.990 0.026 0.000 1.275 101 C CA -0.648 58.383 59.018 0.021 0.000 1.811 101 C CB -0.720 27.029 27.740 0.015 0.000 2.372 101 C HN 0.782 nan 8.230 nan 0.000 0.531 102 L N 5.726 126.970 121.223 0.035 0.000 3.202 102 L HA 0.301 4.642 4.340 0.002 0.000 0.278 102 L C 1.949 178.853 176.870 0.057 0.000 1.268 102 L CA 0.190 55.055 54.840 0.041 0.000 1.034 102 L CB 0.064 42.144 42.059 0.036 0.000 1.407 102 L HN 1.010 nan 8.230 nan 0.000 0.581 103 G N 0.109 108.947 108.800 0.063 0.000 2.471 103 G HA2 -0.239 3.722 3.960 0.002 0.000 0.219 103 G HA3 -0.239 3.722 3.960 0.002 0.000 0.219 103 G C 1.547 176.519 174.900 0.121 0.000 1.125 103 G CA 1.039 46.190 45.100 0.084 0.000 0.775 103 G HN 0.490 nan 8.290 nan 0.000 0.548 104 S N -0.436 115.333 115.700 0.115 0.000 2.650 104 S HA 0.309 4.780 4.470 0.002 0.000 0.219 104 S C 0.522 175.214 174.600 0.154 0.000 0.960 104 S CA -0.386 57.903 58.200 0.148 0.000 0.925 104 S CB -0.151 63.113 63.200 0.107 0.000 0.775 104 S HN -0.030 nan 8.310 nan 0.000 0.525 105 L N 1.777 123.077 121.223 0.128 0.000 2.305 105 L HA 0.353 4.694 4.340 0.002 0.000 0.281 105 L C 1.300 178.265 176.870 0.159 0.000 1.085 105 L CA 0.004 54.913 54.840 0.114 0.000 0.813 105 L CB 1.228 43.330 42.059 0.071 0.000 1.157 105 L HN -0.014 nan 8.230 nan 0.000 0.436 106 V N 3.178 123.197 119.914 0.174 0.000 2.283 106 V HA -0.039 4.082 4.120 0.002 0.000 0.243 106 V C 0.735 176.869 176.094 0.066 0.000 1.039 106 V CA 1.052 63.489 62.300 0.228 0.000 1.016 106 V CB -0.254 31.720 31.823 0.252 0.000 0.650 106 V HN 0.471 nan 8.190 nan 0.000 0.449 107 L N 0.248 121.453 121.223 -0.030 0.000 2.334 107 L HA 0.478 4.819 4.340 0.002 0.000 0.276 107 L C -2.307 174.553 176.870 -0.017 0.000 1.014 107 L CA -1.812 52.959 54.840 -0.115 0.000 0.815 107 L CB 1.184 43.108 42.059 -0.225 0.000 1.268 107 L HN 0.107 nan 8.230 nan 0.000 0.428 108 P HA 0.160 nan 4.420 nan 0.000 0.273 108 P C 0.063 177.367 177.300 0.006 0.000 1.250 108 P CA -0.600 62.517 63.100 0.028 0.000 0.793 108 P CB 0.743 32.473 31.700 0.050 0.000 1.011 109 R N 0.989 121.495 120.500 0.009 0.000 2.093 109 R HA 0.051 4.392 4.340 0.002 0.000 0.224 109 R C 0.745 177.043 176.300 -0.003 0.000 1.101 109 R CA 1.786 57.886 56.100 0.000 0.000 0.979 109 R CB 0.094 30.396 30.300 0.004 0.000 0.877 109 R HN 0.398 nan 8.270 nan 0.000 0.441 110 K N -1.445 118.957 120.400 0.004 0.000 2.614 110 K HA 0.132 4.453 4.320 0.002 0.000 0.192 110 K C 0.486 177.092 176.600 0.010 0.000 1.398 110 K CA -0.041 56.247 56.287 0.001 0.000 1.074 110 K CB 0.503 33.002 32.500 -0.002 0.000 1.182 110 K HN -0.074 nan 8.250 nan 0.000 0.604 111 L N 2.052 123.287 121.223 0.020 0.000 2.349 111 L HA -0.160 4.181 4.340 0.002 0.000 0.220 111 L C 2.005 178.893 176.870 0.030 0.000 1.130 111 L CA 1.555 56.411 54.840 0.027 0.000 0.791 111 L CB -0.799 41.283 42.059 0.037 0.000 0.918 111 L HN 0.252 nan 8.230 nan 0.000 0.444 112 Q N 0.239 120.058 119.800 0.032 0.000 0.539 112 Q HA -0.193 4.148 4.340 0.002 0.000 0.901 112 Q C -0.093 175.918 176.000 0.019 0.000 0.858 112 Q CA 2.230 58.054 55.803 0.035 0.000 0.876 112 Q CB -0.069 28.676 28.738 0.013 0.000 0.917 112 Q HN 0.323 nan 8.270 nan 0.000 0.154 113 T N 0.572 115.128 114.554 0.003 0.000 3.583 113 T HA 0.216 4.567 4.350 0.002 0.000 0.274 113 T C -1.208 173.482 174.700 -0.017 0.000 0.698 113 T CA -0.660 61.436 62.100 -0.006 0.000 1.262 113 T CB 0.482 69.346 68.868 -0.006 0.000 1.000 113 T HN 0.282 nan 8.240 nan 0.000 0.528 114 R N 1.885 122.375 120.500 -0.017 0.000 2.829 114 R HA 0.074 4.415 4.340 0.002 0.000 0.267 114 R C -2.037 174.248 176.300 -0.025 0.000 0.985 114 R CA -0.726 55.361 56.100 -0.022 0.000 1.128 114 R CB -0.381 29.909 30.300 -0.017 0.000 1.010 114 R HN 0.316 nan 8.270 nan 0.000 0.449 115 P HA -0.118 nan 4.420 nan 0.000 0.272 115 P C -0.148 177.139 177.300 -0.023 0.000 1.210 115 P CA 0.587 63.672 63.100 -0.025 0.000 0.789 115 P CB 0.393 32.080 31.700 -0.022 0.000 0.849 116 S N 0.641 116.328 115.700 -0.021 0.000 2.617 116 S HA 0.284 4.755 4.470 0.002 0.000 0.237 116 S C -1.667 172.923 174.600 -0.016 0.000 1.142 116 S CA -1.013 57.173 58.200 -0.023 0.000 1.167 116 S CB -0.264 62.917 63.200 -0.032 0.000 1.068 116 S HN 0.310 nan 8.310 nan 0.000 0.470 117 P HA 0.258 nan 4.420 nan 0.000 0.235 117 P C 0.796 178.093 177.300 -0.005 0.000 1.177 117 P CA 0.382 63.478 63.100 -0.006 0.000 0.785 117 P CB 0.136 31.833 31.700 -0.005 0.000 0.885 118 G N 1.129 109.925 108.800 -0.007 0.000 2.537 118 G HA2 0.547 4.508 3.960 0.002 0.000 0.308 118 G HA3 0.547 4.508 3.960 0.002 0.000 0.308 118 G C -2.993 171.902 174.900 -0.008 0.000 1.237 118 G CA -1.773 43.325 45.100 -0.005 0.000 0.968 118 G HN -0.146 nan 8.290 nan 0.000 0.481 119 P HA 0.237 nan 4.420 nan 0.000 0.276 119 P C -2.414 174.882 177.300 -0.006 0.000 1.235 119 P CA -0.960 62.136 63.100 -0.007 0.000 0.772 119 P CB 0.961 32.662 31.700 0.002 0.000 0.871 120 P HA 0.224 nan 4.420 nan 0.000 0.271 120 P C -2.455 174.848 177.300 0.005 0.000 1.216 120 P CA -1.453 61.642 63.100 -0.008 0.000 0.776 120 P CB -0.957 30.733 31.700 -0.017 0.000 0.881 121 P HA -0.090 nan 4.420 nan 0.000 0.257 121 P C 1.034 178.345 177.300 0.019 0.000 1.162 121 P CA 0.481 63.588 63.100 0.012 0.000 0.762 121 P CB 0.085 31.791 31.700 0.010 0.000 0.753 122 A N 4.838 127.671 122.820 0.021 0.000 1.917 122 A HA -0.256 4.065 4.320 0.002 0.000 0.219 122 A C 1.999 179.597 177.584 0.022 0.000 1.182 122 A CA 1.554 53.606 52.037 0.025 0.000 0.633 122 A CB -0.609 18.404 19.000 0.022 0.000 0.819 122 A HN 0.497 nan 8.150 nan 0.000 0.448 123 E N -0.740 119.471 120.200 0.017 0.000 2.047 123 E HA -0.202 4.149 4.350 0.002 0.000 0.191 123 E C 2.166 178.779 176.600 0.020 0.000 0.987 123 E CA 1.546 57.955 56.400 0.015 0.000 0.799 123 E CB -0.508 29.200 29.700 0.012 0.000 0.752 123 E HN 0.752 nan 8.360 nan 0.000 0.449 124 Q N 1.004 120.817 119.800 0.022 0.000 2.002 124 Q HA -0.163 4.178 4.340 0.002 0.000 0.204 124 Q C 2.209 178.231 176.000 0.037 0.000 0.988 124 Q CA 1.364 57.182 55.803 0.026 0.000 0.843 124 Q CB -0.607 28.143 28.738 0.020 0.000 0.908 124 Q HN 0.244 nan 8.270 nan 0.000 0.420 125 L N -0.175 121.074 121.223 0.044 0.000 2.012 125 L HA -0.117 4.224 4.340 0.002 0.000 0.210 125 L C 2.145 179.061 176.870 0.078 0.000 1.073 125 L CA 1.811 56.695 54.840 0.073 0.000 0.748 125 L CB -1.064 41.045 42.059 0.084 0.000 0.891 125 L HN 0.490 nan 8.230 nan 0.000 0.431 126 L N -1.029 120.220 121.223 0.043 0.000 2.079 126 L HA -0.198 4.144 4.340 0.002 0.000 0.210 126 L C 2.661 179.541 176.870 0.017 0.000 1.081 126 L CA 2.129 56.974 54.840 0.008 0.000 0.752 126 L CB -1.007 41.051 42.059 -0.001 0.000 0.896 126 L HN 0.481 nan 8.230 nan 0.000 0.433 127 S N -1.377 114.343 115.700 0.033 0.000 2.368 127 S HA -0.199 4.272 4.470 0.002 0.000 0.224 127 S C 1.912 176.553 174.600 0.069 0.000 1.029 127 S CA 1.382 59.607 58.200 0.041 0.000 0.988 127 S CB -0.129 63.092 63.200 0.036 0.000 0.838 127 S HN 0.679 nan 8.310 nan 0.000 0.462 128 Q N 0.250 120.100 119.800 0.083 0.000 2.172 128 Q HA 0.061 4.402 4.340 0.002 0.000 0.200 128 Q C 2.473 178.582 176.000 0.180 0.000 0.964 128 Q CA 1.229 57.103 55.803 0.118 0.000 0.855 128 Q CB -0.311 28.486 28.738 0.099 0.000 0.918 128 Q HN 0.662 nan 8.270 nan 0.000 0.444 129 A N 1.512 124.425 122.820 0.154 0.000 1.855 129 A HA -0.186 4.135 4.320 0.002 0.000 0.215 129 A C 2.023 179.688 177.584 0.134 0.000 1.191 129 A CA 1.233 53.359 52.037 0.148 0.000 0.613 129 A CB -0.373 18.533 19.000 -0.157 0.000 0.829 129 A HN 0.193 nan 8.150 nan 0.000 0.442 130 R N -0.460 120.079 120.500 0.064 0.000 2.081 130 R HA -0.170 4.171 4.340 0.002 0.000 0.235 130 R C 2.038 178.413 176.300 0.124 0.000 1.131 130 R CA 1.653 57.794 56.100 0.068 0.000 0.960 130 R CB -0.529 29.789 30.300 0.029 0.000 0.856 130 R HN 0.724 nan 8.270 nan 0.000 0.436 131 D N 0.303 120.785 120.400 0.136 0.000 2.097 131 D HA -0.218 4.423 4.640 0.002 0.000 0.195 131 D C 1.678 178.094 176.300 0.194 0.000 0.989 131 D CA 1.038 55.126 54.000 0.147 0.000 0.827 131 D CB -0.105 40.778 40.800 0.138 0.000 0.966 131 D HN 0.153 nan 8.370 nan 0.000 0.456 132 F N 0.850 120.884 119.950 0.141 0.000 2.134 132 F HA -0.081 4.447 4.527 0.002 0.000 0.299 132 F C 1.950 177.890 175.800 0.232 0.000 1.097 132 F CA 1.068 59.184 58.000 0.194 0.000 1.264 132 F CB -0.244 38.875 39.000 0.198 0.000 1.001 132 F HN -0.008 nan 8.300 nan 0.000 0.479 133 I N 0.884 121.466 120.570 0.019 0.000 2.286 133 I HA -0.295 3.876 4.170 0.002 0.000 0.248 133 I C 2.049 178.195 176.117 0.048 0.000 1.115 133 I CA 1.130 62.437 61.300 0.012 0.000 1.392 133 I CB -1.665 36.454 38.000 0.198 0.000 1.065 133 I HN 0.243 nan 8.210 nan 0.000 0.418 134 N N 0.948 119.710 118.700 0.104 0.000 2.104 134 N HA -0.199 4.542 4.740 0.002 0.000 0.190 134 N C 1.846 177.310 175.510 -0.077 0.000 1.024 134 N CA 1.172 54.272 53.050 0.084 0.000 0.853 134 N CB -0.287 38.281 38.487 0.136 0.000 1.008 134 N HN 0.517 nan 8.380 nan 0.000 0.424 135 Q N -0.340 119.418 119.800 -0.071 0.000 2.030 135 Q HA -0.196 4.145 4.340 0.002 0.000 0.204 135 Q C 1.919 177.700 176.000 -0.365 0.000 0.986 135 Q CA 1.458 57.217 55.803 -0.073 0.000 0.843 135 Q CB -0.336 28.483 28.738 0.136 0.000 0.904 135 Q HN 0.456 nan 8.270 nan 0.000 0.420 136 Y N 0.035 119.885 120.300 -0.749 0.000 2.128 136 Y HA -0.302 4.249 4.550 0.002 0.000 0.284 136 Y C 1.668 177.005 175.900 -0.937 0.000 1.154 136 Y CA 1.699 59.062 58.100 -1.229 0.000 1.149 136 Y CB -0.434 37.418 38.460 -1.014 0.000 0.976 136 Y HN 0.120 nan 8.280 nan 0.000 0.505 137 Y N -0.504 119.396 120.300 -0.666 0.000 2.509 137 Y HA -0.138 4.413 4.550 0.002 0.000 0.293 137 Y C 2.588 178.163 175.900 -0.542 0.000 1.133 137 Y CA 1.313 59.010 58.100 -0.673 0.000 1.283 137 Y CB -0.179 37.790 38.460 -0.819 0.000 1.001 137 Y HN 0.114 nan 8.280 nan 0.000 0.555 138 S N -1.001 114.476 115.700 -0.373 0.000 2.406 138 S HA -0.160 4.311 4.470 0.002 0.000 0.224 138 S C 2.253 176.676 174.600 -0.295 0.000 1.030 138 S CA 1.038 59.093 58.200 -0.241 0.000 0.958 138 S CB -0.439 62.673 63.200 -0.147 0.000 0.811 138 S HN 0.607 nan 8.310 nan 0.000 0.489 139 S N 2.772 118.191 115.700 -0.468 0.000 2.400 139 S HA -0.090 4.381 4.470 0.002 0.000 0.232 139 S C 1.633 175.980 174.600 -0.422 0.000 1.025 139 S CA 1.241 59.182 58.200 -0.432 0.000 0.993 139 S CB -0.822 61.939 63.200 -0.731 0.000 0.808 139 S HN 0.715 nan 8.310 nan 0.000 0.478 140 I N -2.547 117.672 120.570 -0.586 0.000 3.904 140 I HA 0.425 4.596 4.170 0.002 0.000 0.333 140 I C 0.342 176.300 176.117 -0.265 0.000 1.361 140 I CA -0.516 60.519 61.300 -0.442 0.000 1.116 140 I CB -0.430 37.207 38.000 -0.605 0.000 1.028 140 I HN 0.054 nan 8.210 nan 0.000 0.398 141 K N 0.951 121.217 120.400 -0.225 0.000 3.274 141 K HA -0.162 4.159 4.320 0.002 0.000 0.300 141 K C 0.357 176.910 176.600 -0.078 0.000 1.230 141 K CA 0.751 56.962 56.287 -0.127 0.000 0.884 141 K CB -1.273 31.172 32.500 -0.093 0.000 1.242 141 K HN 0.452 nan 8.250 nan 0.000 0.467 142 R N 0.858 121.318 120.500 -0.066 0.000 2.586 142 R HA 0.105 4.446 4.340 0.002 0.000 0.306 142 R C 0.236 176.582 176.300 0.077 0.000 1.079 142 R CA -0.075 56.050 56.100 0.042 0.000 1.083 142 R CB 0.858 31.239 30.300 0.135 0.000 1.306 142 R HN 0.112 nan 8.270 nan 0.000 0.567 143 S N -0.312 115.396 115.700 0.012 0.000 2.537 143 S HA 0.264 4.735 4.470 0.002 0.000 0.286 143 S C 1.402 176.089 174.600 0.145 0.000 1.299 143 S CA 1.195 59.425 58.200 0.051 0.000 1.067 143 S CB 0.488 63.693 63.200 0.008 0.000 0.864 143 S HN 0.735 nan 8.310 nan 0.000 0.494 144 G N 3.189 112.188 108.800 0.332 0.000 2.267 144 G HA2 -0.324 3.637 3.960 0.002 0.000 0.257 144 G HA3 -0.324 3.637 3.960 0.002 0.000 0.257 144 G C 0.453 175.362 174.900 0.015 0.000 0.998 144 G CA 0.672 45.824 45.100 0.088 0.000 0.620 144 G HN 1.628 nan 8.290 nan 0.000 0.529 145 S N -0.429 115.294 115.700 0.038 0.000 2.658 145 S HA 0.302 4.773 4.470 0.002 0.000 0.249 145 S C 1.398 175.971 174.600 -0.044 0.000 1.363 145 S CA 0.954 59.155 58.200 0.001 0.000 0.964 145 S CB 0.774 63.990 63.200 0.026 0.000 0.973 145 S HN 0.662 nan 8.310 nan 0.000 0.588 146 Q N 0.226 120.004 119.800 -0.036 0.000 2.049 146 Q HA -0.045 4.296 4.340 0.002 0.000 0.198 146 Q C 2.356 178.312 176.000 -0.073 0.000 0.971 146 Q CA 1.205 56.977 55.803 -0.052 0.000 0.833 146 Q CB -0.819 27.904 28.738 -0.025 0.000 0.896 146 Q HN 0.903 nan 8.270 nan 0.000 0.434 147 A N 0.515 123.308 122.820 -0.044 0.000 1.948 147 A HA -0.282 4.039 4.320 0.002 0.000 0.220 147 A C 1.900 179.326 177.584 -0.262 0.000 1.177 147 A CA 1.883 53.897 52.037 -0.037 0.000 0.636 147 A CB -1.183 17.890 19.000 0.122 0.000 0.815 147 A HN 0.732 nan 8.150 nan 0.000 0.449 148 H N -1.361 117.296 119.070 -0.689 0.000 2.353 148 H HA -0.165 4.392 4.556 0.002 0.000 0.300 148 H C 2.171 177.201 175.328 -0.497 0.000 1.090 148 H CA 1.567 56.948 56.048 -1.112 0.000 1.327 148 H CB 0.153 29.419 29.762 -0.826 0.000 1.383 148 H HN 0.505 nan 8.280 nan 0.000 0.508 149 E N 0.880 120.892 120.200 -0.313 0.000 2.107 149 E HA -0.120 4.231 4.350 0.002 0.000 0.191 149 E C 1.961 178.465 176.600 -0.160 0.000 0.982 149 E CA 1.309 57.543 56.400 -0.276 0.000 0.809 149 E CB 0.035 29.610 29.700 -0.209 0.000 0.756 149 E HN 0.631 nan 8.360 nan 0.000 0.459 150 E N -0.469 119.663 120.200 -0.114 0.000 2.208 150 E HA -0.145 4.206 4.350 0.002 0.000 0.193 150 E C 1.981 178.564 176.600 -0.029 0.000 0.988 150 E CA 0.699 57.066 56.400 -0.055 0.000 0.828 150 E CB -0.003 29.681 29.700 -0.026 0.000 0.763 150 E HN -0.029 nan 8.360 nan 0.000 0.478 151 R N 1.231 121.712 120.500 -0.032 0.000 2.093 151 R HA -0.013 4.328 4.340 0.002 0.000 0.224 151 R C 1.965 178.274 176.300 0.015 0.000 1.101 151 R CA 0.974 57.099 56.100 0.043 0.000 0.979 151 R CB -0.437 29.953 30.300 0.150 0.000 0.877 151 R HN 0.145 nan 8.270 nan 0.000 0.441 152 L N 0.262 121.463 121.223 -0.036 0.000 2.056 152 L HA -0.172 4.169 4.340 0.002 0.000 0.207 152 L C 2.436 179.268 176.870 -0.063 0.000 1.078 152 L CA 1.616 56.422 54.840 -0.057 0.000 0.749 152 L CB -0.435 41.553 42.059 -0.119 0.000 0.901 152 L HN 0.292 nan 8.230 nan 0.000 0.433 153 Q N -0.302 119.462 119.800 -0.059 0.000 2.119 153 Q HA -0.206 4.135 4.340 0.002 0.000 0.201 153 Q C 2.064 178.050 176.000 -0.024 0.000 0.972 153 Q CA 1.294 57.071 55.803 -0.044 0.000 0.847 153 Q CB -0.104 28.610 28.738 -0.041 0.000 0.903 153 Q HN 0.534 nan 8.270 nan 0.000 0.433 154 E N 0.246 120.440 120.200 -0.009 0.000 2.038 154 E HA -0.181 4.170 4.350 0.002 0.000 0.195 154 E C 2.178 178.781 176.600 0.005 0.000 1.000 154 E CA 1.536 57.946 56.400 0.016 0.000 0.803 154 E CB -0.058 29.668 29.700 0.044 0.000 0.750 154 E HN 0.132 nan 8.360 nan 0.000 0.448 155 V N 1.764 121.652 119.914 -0.043 0.000 2.287 155 V HA -0.279 3.842 4.120 0.002 0.000 0.248 155 V C 2.090 178.107 176.094 -0.128 0.000 1.053 155 V CA 2.026 64.229 62.300 -0.161 0.000 1.027 155 V CB -0.554 31.066 31.823 -0.338 0.000 0.646 155 V HN 0.265 nan 8.190 nan 0.000 0.447 156 E N 0.262 120.409 120.200 -0.088 0.000 2.110 156 E HA -0.174 4.177 4.350 0.002 0.000 0.193 156 E C 2.330 178.919 176.600 -0.019 0.000 0.988 156 E CA 1.241 57.608 56.400 -0.055 0.000 0.804 156 E CB -0.329 29.343 29.700 -0.047 0.000 0.745 156 E HN 0.616 nan 8.360 nan 0.000 0.458 157 A N 1.470 124.285 122.820 -0.007 0.000 1.902 157 A HA -0.246 4.075 4.320 0.002 0.000 0.217 157 A C 2.055 179.660 177.584 0.034 0.000 1.181 157 A CA 1.581 53.626 52.037 0.013 0.000 0.623 157 A CB -0.403 18.606 19.000 0.015 0.000 0.818 157 A HN 0.207 nan 8.150 nan 0.000 0.443 158 E N -0.383 119.849 120.200 0.054 0.000 2.047 158 E HA -0.118 4.233 4.350 0.002 0.000 0.191 158 E C 1.922 178.582 176.600 0.100 0.000 0.987 158 E CA 1.316 57.775 56.400 0.099 0.000 0.799 158 E CB -0.093 29.706 29.700 0.166 0.000 0.752 158 E HN 0.320 nan 8.360 nan 0.000 0.449 159 V N 1.132 121.096 119.914 0.083 0.000 2.343 159 V HA -0.269 3.852 4.120 0.002 0.000 0.247 159 V C 2.381 178.507 176.094 0.053 0.000 1.051 159 V CA 1.791 64.140 62.300 0.081 0.000 1.036 159 V CB -0.737 31.117 31.823 0.052 0.000 0.654 159 V HN 0.411 nan 8.190 nan 0.000 0.451 160 A N -0.674 122.167 122.820 0.035 0.000 2.019 160 A HA -0.174 4.147 4.320 0.002 0.000 0.219 160 A C 2.391 179.994 177.584 0.031 0.000 1.164 160 A CA 2.279 54.332 52.037 0.026 0.000 0.644 160 A CB -0.369 18.641 19.000 0.016 0.000 0.805 160 A HN 0.536 nan 8.150 nan 0.000 0.449 161 S N -1.746 113.978 115.700 0.040 0.000 2.497 161 S HA 0.004 4.475 4.470 0.002 0.000 0.221 161 S C 1.765 176.394 174.600 0.047 0.000 1.037 161 S CA 1.099 59.323 58.200 0.040 0.000 0.920 161 S CB 0.198 63.422 63.200 0.041 0.000 0.800 161 S HN 0.866 nan 8.310 nan 0.000 0.505 162 T N -2.413 112.178 114.554 0.061 0.000 3.003 162 T HA 0.454 4.806 4.350 0.002 0.000 0.261 162 T C 1.414 176.148 174.700 0.057 0.000 1.003 162 T CA 0.781 62.921 62.100 0.066 0.000 0.917 162 T CB 0.502 69.426 68.868 0.094 0.000 1.084 162 T HN 0.486 nan 8.240 nan 0.000 0.522 163 G N 0.341 109.175 108.800 0.057 0.000 2.159 163 G HA2 -0.169 3.792 3.960 0.002 0.000 0.256 163 G HA3 -0.169 3.792 3.960 0.002 0.000 0.256 163 G C 0.165 175.097 174.900 0.053 0.000 0.977 163 G CA 0.625 45.753 45.100 0.047 0.000 0.652 163 G HN 1.074 nan 8.290 nan 0.000 0.531 164 T N -1.683 112.919 114.554 0.080 0.000 2.653 164 T HA 0.691 5.042 4.350 0.002 0.000 0.306 164 T C -1.171 173.638 174.700 0.182 0.000 1.426 164 T CA 0.466 62.611 62.100 0.076 0.000 1.008 164 T CB 1.260 70.089 68.868 -0.066 0.000 1.692 164 T HN 1.624 nan 8.240 nan 0.000 0.483 165 Y N -0.874 119.355 120.300 -0.118 0.000 2.853 165 Y HA 0.841 5.392 4.550 0.002 0.000 0.326 165 Y C -1.614 174.122 175.900 -0.274 0.000 1.384 165 Y CA -1.176 56.901 58.100 -0.040 0.000 1.077 165 Y CB 0.804 39.283 38.460 0.032 0.000 1.395 165 Y HN 0.797 nan 8.280 nan 0.000 0.451 166 H N 0.298 119.418 119.070 0.083 0.000 2.821 166 H HA 0.686 5.243 4.556 0.002 0.000 0.373 166 H C -1.176 174.232 175.328 0.133 0.000 1.165 166 H CA -0.814 55.215 56.048 -0.033 0.000 1.154 166 H CB 2.070 31.851 29.762 0.031 0.000 1.765 166 H HN 0.708 nan 8.280 nan 0.000 0.549 167 L N 1.634 122.959 121.223 0.170 0.000 2.360 167 L HA 0.526 4.867 4.340 0.002 0.000 0.271 167 L C 0.374 177.329 176.870 0.141 0.000 1.057 167 L CA -0.787 54.172 54.840 0.199 0.000 0.803 167 L CB 1.008 43.151 42.059 0.139 0.000 1.207 167 L HN 0.397 nan 8.230 nan 0.000 0.445 168 R N 0.723 121.280 120.500 0.095 0.000 2.459 168 R HA 0.070 4.411 4.340 0.002 0.000 0.281 168 R C 0.892 177.191 176.300 -0.001 0.000 1.050 168 R CA -0.413 55.709 56.100 0.036 0.000 1.055 168 R CB 1.195 31.495 30.300 -0.000 0.000 1.045 168 R HN 0.647 nan 8.270 nan 0.000 0.495 169 E N 1.498 121.697 120.200 -0.002 0.000 2.114 169 E HA -0.295 4.056 4.350 0.002 0.000 0.199 169 E C 1.487 178.077 176.600 -0.016 0.000 1.008 169 E CA 2.405 58.795 56.400 -0.017 0.000 0.810 169 E CB 0.110 29.804 29.700 -0.010 0.000 0.739 169 E HN 0.694 nan 8.360 nan 0.000 0.456 170 S N 0.140 115.828 115.700 -0.019 0.000 2.356 170 S HA -0.234 4.237 4.470 0.002 0.000 0.223 170 S C 1.841 176.436 174.600 -0.008 0.000 1.032 170 S CA 1.417 59.626 58.200 0.015 0.000 1.005 170 S CB -0.454 62.769 63.200 0.038 0.000 0.867 170 S HN 0.391 nan 8.310 nan 0.000 0.449 171 E N 1.132 121.189 120.200 -0.238 0.000 2.051 171 E HA -0.091 4.260 4.350 0.002 0.000 0.192 171 E C 2.100 178.836 176.600 0.228 0.000 0.991 171 E CA 1.184 57.470 56.400 -0.191 0.000 0.799 171 E CB -0.400 29.201 29.700 -0.164 0.000 0.748 171 E HN 0.430 nan 8.360 nan 0.000 0.449 172 L N 0.933 122.198 121.223 0.071 0.000 2.012 172 L HA -0.193 4.148 4.340 0.002 0.000 0.210 172 L C 2.244 179.108 176.870 -0.011 0.000 1.073 172 L CA 1.467 56.286 54.840 -0.035 0.000 0.748 172 L CB -0.343 41.635 42.059 -0.135 0.000 0.891 172 L HN -0.037 nan 8.230 nan 0.000 0.431 173 V N -0.558 119.380 119.914 0.039 0.000 2.343 173 V HA -0.313 3.808 4.120 0.002 0.000 0.247 173 V C 2.317 178.506 176.094 0.158 0.000 1.051 173 V CA 2.093 64.427 62.300 0.056 0.000 1.036 173 V CB -0.977 30.881 31.823 0.059 0.000 0.654 173 V HN 0.571 nan 8.190 nan 0.000 0.451 174 F N 2.150 122.192 119.950 0.153 0.000 2.134 174 F HA -0.035 4.493 4.527 0.002 0.000 0.299 174 F C 2.163 178.112 175.800 0.249 0.000 1.097 174 F CA 1.644 59.788 58.000 0.240 0.000 1.264 174 F CB -0.910 38.317 39.000 0.377 0.000 1.001 174 F HN 0.126 nan 8.300 nan 0.000 0.479 175 G N -0.308 108.566 108.800 0.123 0.000 2.422 175 G HA2 -0.181 3.780 3.960 0.002 0.000 0.218 175 G HA3 -0.181 3.780 3.960 0.002 0.000 0.218 175 G C 1.821 176.588 174.900 -0.222 0.000 1.146 175 G CA 0.753 45.806 45.100 -0.078 0.000 0.769 175 G HN 0.624 nan 8.290 nan 0.000 0.547 176 A N 0.815 123.540 122.820 -0.158 0.000 1.933 176 A HA 0.021 4.342 4.320 0.002 0.000 0.218 176 A C 2.307 179.892 177.584 0.002 0.000 1.175 176 A CA 1.898 53.855 52.037 -0.132 0.000 0.628 176 A CB -0.295 18.660 19.000 -0.076 0.000 0.814 176 A HN 0.383 nan 8.150 nan 0.000 0.444 177 K N -0.774 119.656 120.400 0.049 0.000 2.057 177 K HA -0.100 4.221 4.320 0.002 0.000 0.206 177 K C 2.235 178.879 176.600 0.074 0.000 1.050 177 K CA 1.203 57.624 56.287 0.224 0.000 0.935 177 K CB -0.134 32.555 32.500 0.315 0.000 0.715 177 K HN 0.354 nan 8.250 nan 0.000 0.439 178 Q N 0.297 119.960 119.800 -0.229 0.000 2.170 178 Q HA -0.079 4.262 4.340 0.002 0.000 0.203 178 Q C 2.149 178.001 176.000 -0.247 0.000 0.976 178 Q CA 1.411 56.991 55.803 -0.371 0.000 0.858 178 Q CB -0.237 28.202 28.738 -0.499 0.000 0.907 178 Q HN 0.322 nan 8.270 nan 0.000 0.433 179 A N 0.231 122.916 122.820 -0.226 0.000 1.877 179 A HA -0.185 4.136 4.320 0.002 0.000 0.216 179 A C 1.826 179.456 177.584 0.077 0.000 1.186 179 A CA 1.372 53.229 52.037 -0.299 0.000 0.620 179 A CB -0.958 17.504 19.000 -0.896 0.000 0.822 179 A HN 0.522 nan 8.150 nan 0.000 0.443 180 W N 0.960 122.286 121.300 0.044 0.000 2.355 180 W HA -0.130 4.531 4.660 0.002 0.000 0.309 180 W C 2.381 178.853 176.519 -0.078 0.000 1.206 180 W CA 1.573 58.955 57.345 0.062 0.000 1.284 180 W CB -0.773 28.714 29.460 0.044 0.000 1.145 180 W HN 0.376 nan 8.180 nan 0.000 0.502 181 R N 0.325 120.754 120.500 -0.118 0.000 2.103 181 R HA -0.207 4.134 4.340 0.002 0.000 0.242 181 R C 1.599 177.739 176.300 -0.267 0.000 1.142 181 R CA 1.965 57.776 56.100 -0.483 0.000 0.960 181 R CB -0.596 29.099 30.300 -1.009 0.000 0.858 181 R HN 0.131 nan 8.270 nan 0.000 0.439 182 N N 0.320 118.913 118.700 -0.178 0.000 2.467 182 N HA 0.010 4.751 4.740 0.002 0.000 0.184 182 N C -0.239 175.222 175.510 -0.083 0.000 1.106 182 N CA 0.669 53.637 53.050 -0.137 0.000 0.892 182 N CB 0.282 38.691 38.487 -0.131 0.000 0.969 182 N HN 0.173 nan 8.380 nan 0.000 0.454 183 A N 2.334 125.153 122.820 -0.002 0.000 2.500 183 A HA 0.177 4.498 4.320 0.002 0.000 0.285 183 A C -1.175 176.384 177.584 -0.042 0.000 1.183 183 A CA -0.852 51.185 52.037 0.001 0.000 0.851 183 A CB 0.198 19.245 19.000 0.078 0.000 1.091 183 A HN 0.025 nan 8.150 nan 0.000 0.521 184 P HA -0.148 nan 4.420 nan 0.000 0.218 184 P C 1.129 178.373 177.300 -0.093 0.000 1.148 184 P CA 1.237 64.271 63.100 -0.109 0.000 0.822 184 P CB 0.131 31.735 31.700 -0.161 0.000 0.784 185 R N -2.108 118.298 120.500 -0.157 0.000 2.310 185 R HA 0.122 4.463 4.340 0.002 0.000 0.202 185 R C 0.382 176.676 176.300 -0.010 0.000 0.933 185 R CA -0.097 55.931 56.100 -0.121 0.000 1.054 185 R CB -0.571 29.475 30.300 -0.423 0.000 0.985 185 R HN 0.189 nan 8.270 nan 0.000 0.489 186 C N 0.599 119.885 119.300 -0.023 0.000 2.325 186 C HA 0.200 4.661 4.460 0.002 0.000 0.347 186 C C 1.931 176.869 174.990 -0.086 0.000 1.263 186 C CA -0.652 58.377 59.018 0.017 0.000 1.806 186 C CB 0.553 28.377 27.740 0.141 0.000 2.405 186 C HN 0.289 nan 8.230 nan 0.000 0.537 187 V N 5.959 125.780 119.914 -0.154 0.000 3.129 187 V HA 0.203 4.324 4.120 0.002 0.000 0.259 187 V C 1.779 177.888 176.094 0.026 0.000 1.116 187 V CA 2.111 64.216 62.300 -0.326 0.000 1.127 187 V CB -0.083 31.572 31.823 -0.279 0.000 0.742 187 V HN 1.064 nan 8.190 nan 0.000 0.474 188 G N -0.675 108.176 108.800 0.085 0.000 3.448 188 G HA2 0.062 4.024 3.960 0.002 0.000 0.261 188 G HA3 0.062 4.024 3.960 0.002 0.000 0.261 188 G C 1.183 176.115 174.900 0.054 0.000 1.173 188 G CA -0.351 44.819 45.100 0.117 0.000 0.835 188 G HN 0.424 nan 8.290 nan 0.000 0.534 189 R N -0.218 120.234 120.500 -0.079 0.000 2.341 189 R HA 0.072 4.413 4.340 0.002 0.000 0.213 189 R C 1.995 177.908 176.300 -0.645 0.000 1.082 189 R CA 0.229 55.993 56.100 -0.559 0.000 1.017 189 R CB -0.166 29.776 30.300 -0.596 0.000 0.860 189 R HN 0.464 nan 8.270 nan 0.000 0.473 190 I N 0.864 121.223 120.570 -0.352 0.000 2.567 190 I HA -0.249 3.922 4.170 0.002 0.000 0.257 190 I C 1.326 177.346 176.117 -0.161 0.000 1.184 190 I CA 1.283 62.512 61.300 -0.119 0.000 1.451 190 I CB 0.161 38.186 38.000 0.043 0.000 1.089 190 I HN 0.197 nan 8.210 nan 0.000 0.441 191 Q N 0.508 120.151 119.800 -0.262 0.000 2.403 191 Q HA -0.102 4.239 4.340 0.002 0.000 0.203 191 Q C 1.584 177.166 176.000 -0.696 0.000 0.932 191 Q CA 0.327 55.968 55.803 -0.269 0.000 0.945 191 Q CB -0.197 28.550 28.738 0.016 0.000 1.045 191 Q HN 0.790 nan 8.270 nan 0.000 0.511 192 W N 0.115 120.718 121.300 -1.163 0.000 2.313 192 W HA -0.155 4.506 4.660 0.002 0.000 0.293 192 W C 1.076 177.314 176.519 -0.468 0.000 1.216 192 W CA 1.230 57.785 57.345 -1.316 0.000 1.223 192 W CB -1.066 27.821 29.460 -0.955 0.000 1.138 192 W HN 0.077 nan 8.180 nan 0.000 0.535 193 G N 1.057 109.247 108.800 -1.017 0.000 2.623 193 G HA2 -0.144 3.818 3.960 0.002 0.000 0.214 193 G HA3 -0.144 3.818 3.960 0.002 0.000 0.214 193 G C 0.739 175.452 174.900 -0.311 0.000 1.138 193 G CA -0.091 44.484 45.100 -0.876 0.000 0.794 193 G HN 0.223 nan 8.290 nan 0.000 0.535 194 K N 0.353 120.657 120.400 -0.159 0.000 2.357 194 K HA 0.520 4.841 4.320 0.002 0.000 0.251 194 K C -1.680 175.035 176.600 0.192 0.000 1.069 194 K CA -0.655 55.643 56.287 0.018 0.000 0.994 194 K CB 0.368 32.898 32.500 0.050 0.000 1.411 194 K HN 0.071 nan 8.250 nan 0.000 0.450 195 L N 3.389 124.703 121.223 0.151 0.000 2.476 195 L HA 0.279 4.620 4.340 0.002 0.000 0.269 195 L C -1.338 175.525 176.870 -0.012 0.000 0.965 195 L CA -0.394 54.542 54.840 0.159 0.000 0.845 195 L CB 1.943 44.171 42.059 0.282 0.000 1.259 195 L HN 0.485 nan 8.230 nan 0.000 0.403 196 Q N 3.462 123.197 119.800 -0.108 0.000 2.323 196 Q HA 0.482 4.823 4.340 0.002 0.000 0.257 196 Q C -1.529 174.112 176.000 -0.598 0.000 1.022 196 Q CA -0.023 55.539 55.803 -0.400 0.000 0.919 196 Q CB 1.011 29.411 28.738 -0.564 0.000 1.220 196 Q HN 0.521 nan 8.270 nan 0.000 0.427 197 V N 6.395 126.002 119.914 -0.512 0.000 2.350 197 V HA 0.376 4.497 4.120 0.002 0.000 0.276 197 V C -0.615 175.182 176.094 -0.495 0.000 1.028 197 V CA -0.520 61.534 62.300 -0.410 0.000 0.860 197 V CB 0.166 31.868 31.823 -0.201 0.000 0.990 197 V HN 0.623 nan 8.190 nan 0.000 0.453 198 F N 2.678 122.512 119.950 -0.192 0.000 2.405 198 F HA 0.382 4.910 4.527 0.002 0.000 0.355 198 F C 0.491 176.143 175.800 -0.247 0.000 1.121 198 F CA -1.090 56.791 58.000 -0.199 0.000 1.112 198 F CB 1.025 39.914 39.000 -0.184 0.000 1.126 198 F HN 0.420 nan 8.300 nan 0.000 0.481 199 D N 3.013 123.397 120.400 -0.027 0.000 2.339 199 D HA 0.411 5.052 4.640 0.002 0.000 0.241 199 D C 0.065 176.215 176.300 -0.249 0.000 1.183 199 D CA 0.054 53.967 54.000 -0.144 0.000 0.859 199 D CB 1.182 41.935 40.800 -0.079 0.000 1.067 199 D HN 0.616 nan 8.370 nan 0.000 0.484 200 A N 4.560 127.062 122.820 -0.531 0.000 2.637 200 A HA 0.168 4.489 4.320 0.002 0.000 0.293 200 A C 1.571 178.830 177.584 -0.541 0.000 1.216 200 A CA -0.388 51.061 52.037 -0.980 0.000 0.956 200 A CB 0.048 17.941 19.000 -1.845 0.000 1.174 200 A HN 0.555 nan 8.150 nan 0.000 0.525 201 R N 1.055 121.393 120.500 -0.271 0.000 2.280 201 R HA -0.057 4.284 4.340 0.002 0.000 0.207 201 R C 0.002 176.263 176.300 -0.066 0.000 1.043 201 R CA 1.141 57.167 56.100 -0.124 0.000 1.006 201 R CB 0.040 30.328 30.300 -0.021 0.000 0.885 201 R HN 0.655 nan 8.270 nan 0.000 0.467 202 D N -0.104 120.277 120.400 -0.032 0.000 3.168 202 D HA 0.002 4.643 4.640 0.002 0.000 0.255 202 D C -0.676 175.703 176.300 0.131 0.000 1.314 202 D CA -0.262 53.773 54.000 0.058 0.000 0.900 202 D CB -0.199 40.654 40.800 0.089 0.000 1.072 202 D HN -0.029 nan 8.370 nan 0.000 0.487 203 C N 1.171 120.515 119.300 0.073 0.000 2.351 203 C HA 0.567 5.028 4.460 0.002 0.000 0.326 203 C C 1.250 176.368 174.990 0.213 0.000 1.272 203 C CA -0.162 58.963 59.018 0.179 0.000 1.650 203 C CB 0.886 28.713 27.740 0.146 0.000 2.257 203 C HN 0.512 nan 8.230 nan 0.000 0.505 204 S N 2.258 118.134 115.700 0.293 0.000 2.733 204 S HA 0.315 4.786 4.470 0.002 0.000 0.247 204 S C 0.024 174.799 174.600 0.292 0.000 1.043 204 S CA 0.234 58.637 58.200 0.338 0.000 1.066 204 S CB -0.177 63.148 63.200 0.208 0.000 1.045 204 S HN 1.276 nan 8.310 nan 0.000 0.586 205 S N -0.326 115.543 115.700 0.282 0.000 2.579 205 S HA 0.815 5.286 4.470 0.002 0.000 0.272 205 S C 0.885 175.584 174.600 0.165 0.000 1.141 205 S CA -0.310 57.998 58.200 0.181 0.000 0.843 205 S CB 1.094 64.374 63.200 0.135 0.000 1.122 205 S HN 0.514 nan 8.310 nan 0.000 0.468 206 A N 1.035 123.924 122.820 0.115 0.000 1.940 206 A HA -0.141 4.180 4.320 0.002 0.000 0.219 206 A C 2.115 179.667 177.584 -0.054 0.000 1.176 206 A CA 2.344 54.429 52.037 0.080 0.000 0.631 206 A CB -1.231 17.896 19.000 0.211 0.000 0.814 206 A HN 0.917 nan 8.150 nan 0.000 0.446 207 Q N 0.143 119.992 119.800 0.082 0.000 2.124 207 Q HA -0.178 4.163 4.340 0.002 0.000 0.202 207 Q C 1.800 177.802 176.000 0.003 0.000 0.977 207 Q CA 2.261 58.075 55.803 0.019 0.000 0.850 207 Q CB -0.347 28.493 28.738 0.171 0.000 0.901 207 Q HN 0.771 nan 8.270 nan 0.000 0.429 208 E N -0.662 119.586 120.200 0.079 0.000 2.106 208 E HA -0.144 4.207 4.350 0.002 0.000 0.192 208 E C 2.039 178.778 176.600 0.231 0.000 0.984 208 E CA 1.217 57.697 56.400 0.133 0.000 0.806 208 E CB -0.145 29.686 29.700 0.219 0.000 0.750 208 E HN 0.455 nan 8.360 nan 0.000 0.458 209 M N 0.111 119.799 119.600 0.147 0.000 2.108 209 M HA -0.174 4.307 4.480 0.002 0.000 0.261 209 M C 2.209 178.553 176.300 0.075 0.000 1.066 209 M CA 1.499 56.826 55.300 0.046 0.000 1.107 209 M CB -0.363 32.021 32.600 -0.361 0.000 1.356 209 M HN 0.131 nan 8.290 nan 0.000 0.406 210 F N 0.904 120.657 119.950 -0.329 0.000 2.095 210 F HA -0.252 4.276 4.527 0.002 0.000 0.298 210 F C 2.334 178.030 175.800 -0.173 0.000 1.104 210 F CA 1.851 59.601 58.000 -0.417 0.000 1.232 210 F CB -0.231 38.200 39.000 -0.948 0.000 0.987 210 F HN 0.029 nan 8.300 nan 0.000 0.475 211 T N -0.316 114.097 114.554 -0.235 0.000 2.708 211 T HA -0.246 4.105 4.350 0.002 0.000 0.266 211 T C 1.571 176.107 174.700 -0.275 0.000 1.037 211 T CA 1.921 63.828 62.100 -0.322 0.000 1.146 211 T CB -0.750 67.979 68.868 -0.230 0.000 0.865 211 T HN 0.363 nan 8.240 nan 0.000 0.435 212 Y N 0.915 121.156 120.300 -0.099 0.000 2.128 212 Y HA -0.110 4.441 4.550 0.002 0.000 0.284 212 Y C 2.330 178.166 175.900 -0.107 0.000 1.154 212 Y CA 1.030 59.082 58.100 -0.079 0.000 1.149 212 Y CB -0.358 38.161 38.460 0.099 0.000 0.976 212 Y HN 0.163 nan 8.280 nan 0.000 0.505 213 I N -1.393 119.249 120.570 0.120 0.000 2.226 213 I HA -0.372 3.799 4.170 0.002 0.000 0.245 213 I C 2.240 178.282 176.117 -0.127 0.000 1.100 213 I CA 1.005 62.310 61.300 0.008 0.000 1.374 213 I CB -0.455 37.541 38.000 -0.007 0.000 1.057 213 I HN 0.350 nan 8.210 nan 0.000 0.413 214 C N 0.629 119.735 119.300 -0.323 0.000 2.435 214 C HA -0.097 4.365 4.460 0.002 0.000 0.279 214 C C 2.549 177.429 174.990 -0.183 0.000 1.321 214 C CA 0.646 59.468 59.018 -0.327 0.000 1.752 214 C CB -1.372 26.044 27.740 -0.539 0.000 1.959 214 C HN 0.546 nan 8.230 nan 0.000 0.500 215 N N -0.076 118.506 118.700 -0.197 0.000 2.216 215 N HA -0.109 4.632 4.740 0.002 0.000 0.183 215 N C 1.446 176.851 175.510 -0.175 0.000 1.017 215 N CA 1.163 54.089 53.050 -0.206 0.000 0.861 215 N CB -0.658 37.638 38.487 -0.318 0.000 0.986 215 N HN 0.741 nan 8.380 nan 0.000 0.428 216 H N 0.889 119.805 119.070 -0.257 0.000 2.293 216 H HA 0.067 4.624 4.556 0.002 0.000 0.300 216 H C 2.155 177.522 175.328 0.065 0.000 1.082 216 H CA 1.541 57.525 56.048 -0.107 0.000 1.308 216 H CB -0.041 29.704 29.762 -0.028 0.000 1.375 216 H HN 0.051 nan 8.280 nan 0.000 0.495 217 I N 0.607 121.323 120.570 0.244 0.000 2.208 217 I HA -0.282 3.889 4.170 0.002 0.000 0.245 217 I C 2.525 178.712 176.117 0.115 0.000 1.097 217 I CA 1.441 62.842 61.300 0.168 0.000 1.363 217 I CB -0.269 37.756 38.000 0.041 0.000 1.051 217 I HN 0.308 nan 8.210 nan 0.000 0.413 218 K N -0.086 120.352 120.400 0.062 0.000 2.002 218 K HA -0.252 4.069 4.320 0.002 0.000 0.209 218 K C 2.264 178.911 176.600 0.079 0.000 1.048 218 K CA 1.955 58.269 56.287 0.045 0.000 0.930 218 K CB -0.387 32.119 32.500 0.010 0.000 0.714 218 K HN 0.250 nan 8.250 nan 0.000 0.438 219 Y N 1.061 121.370 120.300 0.015 0.000 2.145 219 Y HA -0.261 4.290 4.550 0.002 0.000 0.286 219 Y C 2.122 178.074 175.900 0.086 0.000 1.145 219 Y CA 1.664 59.806 58.100 0.070 0.000 1.148 219 Y CB -0.352 38.206 38.460 0.163 0.000 0.981 219 Y HN 0.070 nan 8.280 nan 0.000 0.507 220 A N -0.656 122.286 122.820 0.204 0.000 1.902 220 A HA -0.170 4.151 4.320 0.002 0.000 0.217 220 A C 2.204 179.828 177.584 0.066 0.000 1.181 220 A CA 2.258 54.379 52.037 0.141 0.000 0.623 220 A CB -1.337 17.810 19.000 0.244 0.000 0.818 220 A HN 0.528 nan 8.150 nan 0.000 0.443 221 T N -0.406 114.192 114.554 0.074 0.000 2.674 221 T HA -0.138 4.213 4.350 0.002 0.000 0.265 221 T C 1.013 175.715 174.700 0.004 0.000 1.039 221 T CA 1.116 63.252 62.100 0.061 0.000 1.150 221 T CB -0.559 68.344 68.868 0.059 0.000 0.864 221 T HN 0.750 nan 8.240 nan 0.000 0.427 222 N N 0.853 119.525 118.700 -0.047 0.000 2.705 222 N HA -0.276 4.465 4.740 0.002 0.000 0.255 222 N C -0.489 174.993 175.510 -0.047 0.000 1.008 222 N CA 0.105 53.105 53.050 -0.084 0.000 0.742 222 N CB -0.538 37.858 38.487 -0.152 0.000 0.906 222 N HN 0.411 nan 8.380 nan 0.000 0.541 223 R N -2.127 118.357 120.500 -0.026 0.000 3.847 223 R HA -0.262 4.079 4.340 0.002 0.000 0.304 223 R C 1.226 177.512 176.300 -0.023 0.000 1.203 223 R CA 1.145 57.232 56.100 -0.023 0.000 0.835 223 R CB -2.093 28.190 30.300 -0.028 0.000 1.253 223 R HN 0.879 nan 8.270 nan 0.000 0.516 224 G N -0.060 108.734 108.800 -0.010 0.000 2.238 224 G HA2 -0.322 3.639 3.960 0.002 0.000 0.217 224 G HA3 -0.322 3.639 3.960 0.002 0.000 0.217 224 G C -0.047 174.848 174.900 -0.008 0.000 0.996 224 G CA 0.098 45.195 45.100 -0.005 0.000 0.632 224 G HN 0.468 nan 8.290 nan 0.000 0.503 225 N N 1.218 119.900 118.700 -0.030 0.000 3.188 225 N HA 0.443 5.184 4.740 0.002 0.000 0.279 225 N C 0.241 175.732 175.510 -0.033 0.000 1.213 225 N CA -0.718 52.299 53.050 -0.056 0.000 1.138 225 N CB -0.095 38.351 38.487 -0.067 0.000 1.417 225 N HN 0.141 nan 8.380 nan 0.000 0.526 226 L N 2.200 123.438 121.223 0.025 0.000 2.543 226 L HA 0.024 4.365 4.340 0.002 0.000 0.285 226 L C 0.665 177.659 176.870 0.207 0.000 1.236 226 L CA 1.102 56.029 54.840 0.144 0.000 0.871 226 L CB 0.161 42.401 42.059 0.303 0.000 1.121 226 L HN 0.374 nan 8.230 nan 0.000 0.501 227 R N 1.348 121.965 120.500 0.195 0.000 2.575 227 R HA 0.435 4.776 4.340 0.002 0.000 0.293 227 R C -0.673 175.781 176.300 0.255 0.000 0.983 227 R CA -0.681 55.550 56.100 0.220 0.000 0.887 227 R CB 1.686 31.970 30.300 -0.027 0.000 1.184 227 R HN 0.583 nan 8.270 nan 0.000 0.445 228 S N 1.571 117.426 115.700 0.258 0.000 2.533 228 S HA 0.420 4.891 4.470 0.002 0.000 0.282 228 S C -0.189 174.457 174.600 0.077 0.000 1.304 228 S CA -0.247 58.000 58.200 0.079 0.000 1.063 228 S CB 1.137 64.334 63.200 -0.005 0.000 0.881 228 S HN 0.695 nan 8.310 nan 0.000 0.493 229 A N 2.858 125.688 122.820 0.016 0.000 2.587 229 A HA 0.859 5.180 4.320 0.002 0.000 0.293 229 A C -1.168 176.455 177.584 0.065 0.000 1.087 229 A CA -0.693 51.298 52.037 -0.077 0.000 0.692 229 A CB 1.280 20.163 19.000 -0.196 0.000 1.291 229 A HN 0.803 nan 8.150 nan 0.000 0.407 230 I N 0.294 120.900 120.570 0.059 0.000 2.722 230 I HA 0.621 4.792 4.170 0.002 0.000 0.295 230 I C -1.220 175.039 176.117 0.237 0.000 1.161 230 I CA -0.132 61.334 61.300 0.276 0.000 1.032 230 I CB 2.450 40.544 38.000 0.156 0.000 1.244 230 I HN 0.625 nan 8.210 nan 0.000 0.421 231 T N 6.056 120.767 114.554 0.261 0.000 2.824 231 T HA 0.503 4.854 4.350 0.002 0.000 0.282 231 T C -0.887 173.638 174.700 -0.292 0.000 0.993 231 T CA -0.396 61.702 62.100 -0.004 0.000 0.967 231 T CB 1.750 70.592 68.868 -0.043 0.000 0.960 231 T HN 0.260 nan 8.240 nan 0.000 0.441 232 V N 4.677 124.326 119.914 -0.441 0.000 2.334 232 V HA 0.495 4.616 4.120 0.002 0.000 0.281 232 V C -0.552 175.224 176.094 -0.530 0.000 1.016 232 V CA -0.861 61.190 62.300 -0.415 0.000 0.832 232 V CB 0.213 31.773 31.823 -0.438 0.000 0.999 232 V HN 0.727 nan 8.190 nan 0.000 0.439 233 F N 4.882 124.746 119.950 -0.143 0.000 2.362 233 F HA 0.513 5.041 4.527 0.002 0.000 0.311 233 F C -1.799 173.910 175.800 -0.152 0.000 1.161 233 F CA -2.441 55.401 58.000 -0.262 0.000 1.085 233 F CB 0.210 39.044 39.000 -0.275 0.000 1.311 233 F HN 0.290 nan 8.300 nan 0.000 0.524 234 P HA -0.050 nan 4.420 nan 0.000 0.263 234 P C -0.892 176.435 177.300 0.046 0.000 1.175 234 P CA 0.037 63.075 63.100 -0.104 0.000 0.761 234 P CB 0.170 31.652 31.700 -0.363 0.000 0.794 235 Q N 3.834 123.608 119.800 -0.043 0.000 2.584 235 Q HA 0.137 4.478 4.340 0.002 0.000 0.235 235 Q C -0.169 175.722 176.000 -0.180 0.000 1.079 235 Q CA -0.271 55.266 55.803 -0.443 0.000 0.977 235 Q CB 0.549 28.770 28.738 -0.863 0.000 1.293 235 Q HN 0.357 nan 8.270 nan 0.000 0.553 236 R N -0.129 120.235 120.500 -0.227 0.000 2.641 236 R HA 0.503 4.844 4.340 0.002 0.000 0.269 236 R C -0.725 175.514 176.300 -0.102 0.000 1.074 236 R CA 0.078 56.124 56.100 -0.089 0.000 1.133 236 R CB 0.796 31.039 30.300 -0.095 0.000 1.029 236 R HN 0.729 nan 8.270 nan 0.000 0.488 237 A N 3.542 126.343 122.820 -0.032 0.000 2.374 237 A HA 0.491 4.812 4.320 0.002 0.000 0.305 237 A C -2.501 175.074 177.584 -0.016 0.000 1.053 237 A CA -2.004 50.016 52.037 -0.027 0.000 0.726 237 A CB 1.473 20.485 19.000 0.020 0.000 1.229 237 A HN 0.378 nan 8.150 nan 0.000 0.431 238 P HA 0.201 nan 4.420 nan 0.000 0.261 238 P C 1.061 178.361 177.300 -0.001 0.000 1.173 238 P CA 2.281 65.374 63.100 -0.012 0.000 0.760 238 P CB 0.498 32.192 31.700 -0.010 0.000 0.783 239 G N 1.910 110.710 108.800 -0.001 0.000 2.179 239 G HA2 -0.280 3.682 3.960 0.002 0.000 0.257 239 G HA3 -0.280 3.682 3.960 0.002 0.000 0.257 239 G C 0.131 175.034 174.900 0.005 0.000 1.010 239 G CA -0.047 45.055 45.100 0.003 0.000 0.736 239 G HN 0.757 nan 8.290 nan 0.000 0.513 240 R N -0.241 120.261 120.500 0.004 0.000 2.651 240 R HA 0.568 4.909 4.340 0.002 0.000 0.278 240 R C 0.815 177.114 176.300 -0.002 0.000 1.010 240 R CA -0.120 55.982 56.100 0.004 0.000 0.896 240 R CB 0.958 31.267 30.300 0.015 0.000 1.211 240 R HN 0.518 nan 8.270 nan 0.000 0.456 241 G N 1.700 110.491 108.800 -0.016 0.000 2.690 241 G HA2 0.015 3.976 3.960 0.002 0.000 0.239 241 G HA3 0.015 3.976 3.960 0.002 0.000 0.239 241 G C -0.552 174.336 174.900 -0.021 0.000 1.233 241 G CA -0.209 44.880 45.100 -0.019 0.000 0.847 241 G HN 0.589 nan 8.290 nan 0.000 0.588 242 D N -0.735 119.669 120.400 0.006 0.000 2.229 242 D HA 0.386 5.027 4.640 0.002 0.000 0.249 242 D C -0.277 176.056 176.300 0.055 0.000 1.027 242 D CA -0.144 53.894 54.000 0.063 0.000 0.923 242 D CB 1.169 42.016 40.800 0.078 0.000 1.174 242 D HN 0.106 nan 8.370 nan 0.000 0.443 243 F N 1.505 121.484 119.950 0.047 0.000 2.427 243 F HA 0.323 4.851 4.527 0.002 0.000 0.352 243 F C 1.054 176.886 175.800 0.053 0.000 1.100 243 F CA 0.126 58.143 58.000 0.028 0.000 1.191 243 F CB 0.641 39.650 39.000 0.014 0.000 1.128 243 F HN -0.176 nan 8.300 nan 0.000 0.533 244 R N 3.778 124.410 120.500 0.220 0.000 2.668 244 R HA 0.522 4.863 4.340 0.002 0.000 0.272 244 R C -1.384 175.064 176.300 0.247 0.000 1.019 244 R CA -0.869 55.373 56.100 0.236 0.000 0.894 244 R CB 2.247 32.715 30.300 0.281 0.000 1.228 244 R HN 0.609 nan 8.270 nan 0.000 0.460 245 I N 1.641 122.349 120.570 0.231 0.000 2.355 245 I HA 0.184 4.355 4.170 0.002 0.000 0.288 245 I C 0.451 176.782 176.117 0.355 0.000 0.999 245 I CA -0.458 60.969 61.300 0.212 0.000 1.163 245 I CB 1.293 39.357 38.000 0.107 0.000 1.316 245 I HN 0.523 nan 8.210 nan 0.000 0.454 246 W N 3.448 124.795 121.300 0.077 0.000 2.388 246 W HA -0.064 4.597 4.660 0.002 0.000 0.294 246 W C 0.984 177.606 176.519 0.172 0.000 1.212 246 W CA 0.122 57.578 57.345 0.185 0.000 1.271 246 W CB -0.780 28.770 29.460 0.150 0.000 1.126 246 W HN 0.402 nan 8.180 nan 0.000 0.535 247 N N 0.101 118.967 118.700 0.276 0.000 2.441 247 N HA -0.007 4.734 4.740 0.002 0.000 0.251 247 N C 1.337 176.911 175.510 0.108 0.000 1.242 247 N CA 0.909 54.041 53.050 0.138 0.000 0.898 247 N CB 0.687 39.194 38.487 0.033 0.000 1.100 247 N HN -0.081 nan 8.380 nan 0.000 0.443 248 S N 0.666 116.420 115.700 0.090 0.000 2.436 248 S HA -0.015 4.456 4.470 0.002 0.000 0.228 248 S C 0.375 174.975 174.600 0.001 0.000 1.014 248 S CA 0.626 58.867 58.200 0.068 0.000 0.950 248 S CB 0.115 63.376 63.200 0.102 0.000 0.784 248 S HN 0.644 nan 8.310 nan 0.000 0.504 249 Q N -0.777 119.007 119.800 -0.026 0.000 2.456 249 Q HA 0.507 4.848 4.340 0.002 0.000 0.283 249 Q C 0.124 176.041 176.000 -0.138 0.000 1.084 249 Q CA -0.573 55.174 55.803 -0.092 0.000 0.801 249 Q CB 1.941 30.656 28.738 -0.039 0.000 1.434 249 Q HN 0.135 nan 8.270 nan 0.000 0.419 250 L N 0.123 121.236 121.223 -0.184 0.000 2.217 250 L HA 0.056 4.397 4.340 0.002 0.000 0.211 250 L C 0.264 176.982 176.870 -0.252 0.000 1.107 250 L CA 0.700 55.432 54.840 -0.181 0.000 0.783 250 L CB 0.270 42.222 42.059 -0.178 0.000 0.919 250 L HN 0.234 nan 8.230 nan 0.000 0.442 251 V N 1.035 120.701 119.914 -0.414 0.000 2.443 251 V HA 0.460 4.581 4.120 0.002 0.000 0.293 251 V C -0.361 175.220 176.094 -0.854 0.000 1.021 251 V CA -0.662 61.221 62.300 -0.695 0.000 0.848 251 V CB 1.624 32.850 31.823 -0.994 0.000 0.998 251 V HN 0.154 nan 8.190 nan 0.000 0.424 252 R N 3.091 123.250 120.500 -0.569 0.000 2.604 252 R HA 0.497 4.838 4.340 0.002 0.000 0.281 252 R C -1.714 174.417 176.300 -0.282 0.000 1.020 252 R CA -0.772 55.120 56.100 -0.347 0.000 0.899 252 R CB 2.493 32.712 30.300 -0.136 0.000 1.205 252 R HN 0.560 nan 8.270 nan 0.000 0.450 253 Y N 0.631 120.928 120.300 -0.006 0.000 2.299 253 Y HA 0.365 4.916 4.550 0.002 0.000 0.326 253 Y C 1.088 176.946 175.900 -0.071 0.000 1.164 253 Y CA -0.436 57.660 58.100 -0.006 0.000 1.234 253 Y CB 0.921 39.425 38.460 0.072 0.000 1.219 253 Y HN 0.669 nan 8.280 nan 0.000 0.497 254 A N 1.680 124.515 122.820 0.026 0.000 2.466 254 A HA 0.514 4.835 4.320 0.002 0.000 0.238 254 A C 0.657 178.000 177.584 -0.402 0.000 1.074 254 A CA 0.280 52.172 52.037 -0.242 0.000 0.774 254 A CB -0.274 18.474 19.000 -0.420 0.000 1.015 254 A HN 0.963 nan 8.150 nan 0.000 0.498 255 G N 0.674 109.250 108.800 -0.374 0.000 2.938 255 G HA2 0.529 4.490 3.960 0.002 0.000 0.308 255 G HA3 0.529 4.490 3.960 0.002 0.000 0.308 255 G C -0.919 173.865 174.900 -0.193 0.000 1.422 255 G CA -0.267 44.672 45.100 -0.268 0.000 1.071 255 G HN 0.572 nan 8.290 nan 0.000 0.530 256 Y N 1.486 121.798 120.300 0.021 0.000 2.404 256 Y HA 0.336 4.887 4.550 0.002 0.000 0.344 256 Y C 1.109 177.008 175.900 -0.002 0.000 0.970 256 Y CA -1.022 57.090 58.100 0.019 0.000 1.180 256 Y CB 1.329 39.795 38.460 0.011 0.000 1.138 256 Y HN 0.450 nan 8.280 nan 0.000 0.510 257 R N 3.972 124.559 120.500 0.145 0.000 2.459 257 R HA 0.055 4.396 4.340 0.002 0.000 0.301 257 R C -0.484 175.856 176.300 0.066 0.000 1.286 257 R CA -0.028 56.119 56.100 0.079 0.000 1.046 257 R CB 0.044 30.379 30.300 0.058 0.000 1.071 257 R HN 0.683 nan 8.270 nan 0.000 0.512 258 Q N 3.179 123.013 119.800 0.057 0.000 2.332 258 Q HA -0.071 4.270 4.340 0.002 0.000 0.263 258 Q C 0.984 176.995 176.000 0.018 0.000 0.979 258 Q CA -0.187 55.635 55.803 0.032 0.000 0.885 258 Q CB 1.369 30.123 28.738 0.027 0.000 1.218 258 Q HN 0.701 nan 8.270 nan 0.000 0.405 259 Q N 2.668 122.473 119.800 0.008 0.000 2.277 259 Q HA -0.408 3.933 4.340 0.002 0.000 0.222 259 Q C 0.377 176.382 176.000 0.007 0.000 1.083 259 Q CA 2.571 58.377 55.803 0.004 0.000 0.964 259 Q CB -0.920 27.817 28.738 -0.003 0.000 1.088 259 Q HN 0.715 nan 8.270 nan 0.000 0.477 260 D N 0.555 120.959 120.400 0.007 0.000 2.362 260 D HA -0.085 4.556 4.640 0.002 0.000 0.215 260 D C 1.578 177.884 176.300 0.010 0.000 0.978 260 D CA 1.841 55.845 54.000 0.007 0.000 0.921 260 D CB -0.405 40.399 40.800 0.007 0.000 0.895 260 D HN 0.759 nan 8.370 nan 0.000 0.494 261 G N 0.107 108.915 108.800 0.013 0.000 2.258 261 G HA2 -0.313 3.648 3.960 0.002 0.000 0.233 261 G HA3 -0.313 3.648 3.960 0.002 0.000 0.233 261 G C 0.716 175.626 174.900 0.017 0.000 1.006 261 G CA 0.573 45.683 45.100 0.016 0.000 0.620 261 G HN 0.609 nan 8.290 nan 0.000 0.511 262 S N -0.732 114.976 115.700 0.014 0.000 2.632 262 S HA 0.686 5.157 4.470 0.002 0.000 0.254 262 S C 0.154 174.760 174.600 0.010 0.000 1.291 262 S CA 0.316 58.522 58.200 0.010 0.000 0.974 262 S CB 1.792 64.996 63.200 0.008 0.000 1.016 262 S HN 1.264 nan 8.310 nan 0.000 0.579 263 V N 0.469 120.379 119.914 -0.006 0.000 2.808 263 V HA 0.535 4.656 4.120 0.002 0.000 0.308 263 V C -0.353 175.716 176.094 -0.042 0.000 1.099 263 V CA -0.798 61.492 62.300 -0.016 0.000 0.920 263 V CB 1.865 33.662 31.823 -0.043 0.000 1.014 263 V HN 0.915 nan 8.190 nan 0.000 0.425 264 R N 2.303 122.802 120.500 -0.002 0.000 2.255 264 R HA 0.696 5.037 4.340 0.002 0.000 0.326 264 R C 0.533 176.771 176.300 -0.103 0.000 0.986 264 R CA 0.907 57.003 56.100 -0.006 0.000 0.847 264 R CB 1.120 31.490 30.300 0.117 0.000 1.111 264 R HN 1.276 nan 8.270 nan 0.000 0.452 265 G N 2.960 111.602 108.800 -0.265 0.000 2.443 265 G HA2 -0.237 3.724 3.960 0.002 0.000 0.209 265 G HA3 -0.237 3.724 3.960 0.002 0.000 0.209 265 G C -1.364 173.098 174.900 -0.730 0.000 1.176 265 G CA -0.136 44.712 45.100 -0.419 0.000 1.074 265 G HN 0.608 nan 8.290 nan 0.000 0.577 266 D N 1.710 121.843 120.400 -0.445 0.000 2.412 266 D HA 0.585 5.226 4.640 0.002 0.000 0.224 266 D C -1.069 175.129 176.300 -0.169 0.000 1.093 266 D CA -2.017 51.776 54.000 -0.344 0.000 0.850 266 D CB 1.505 42.414 40.800 0.182 0.000 1.046 266 D HN -0.021 nan 8.370 nan 0.000 0.507 267 P HA -0.137 nan 4.420 nan 0.000 0.218 267 P C 0.936 178.240 177.300 0.008 0.000 1.146 267 P CA 1.096 64.155 63.100 -0.068 0.000 0.813 267 P CB 0.288 31.955 31.700 -0.054 0.000 0.778 268 A N -0.634 122.207 122.820 0.036 0.000 2.067 268 A HA -0.120 4.201 4.320 0.002 0.000 0.219 268 A C 1.452 179.087 177.584 0.086 0.000 1.158 268 A CA 1.303 53.392 52.037 0.087 0.000 0.661 268 A CB -0.849 18.221 19.000 0.117 0.000 0.801 268 A HN 0.165 nan 8.150 nan 0.000 0.452 269 N N 0.031 118.766 118.700 0.059 0.000 2.453 269 N HA 0.208 4.949 4.740 0.002 0.000 0.270 269 N C 0.800 176.315 175.510 0.008 0.000 1.195 269 N CA 0.070 53.146 53.050 0.043 0.000 0.902 269 N CB 0.946 39.456 38.487 0.038 0.000 1.186 269 N HN 0.203 nan 8.380 nan 0.000 0.510 270 V N 0.285 120.211 119.914 0.020 0.000 2.407 270 V HA -0.155 3.966 4.120 0.002 0.000 0.245 270 V C 2.387 178.498 176.094 0.029 0.000 1.041 270 V CA 1.485 63.796 62.300 0.019 0.000 1.040 270 V CB -0.180 31.660 31.823 0.029 0.000 0.671 270 V HN 0.374 nan 8.190 nan 0.000 0.455 271 E N 0.043 120.265 120.200 0.037 0.000 2.031 271 E HA -0.257 4.094 4.350 0.002 0.000 0.193 271 E C 2.151 178.707 176.600 -0.074 0.000 0.994 271 E CA 1.696 58.102 56.400 0.011 0.000 0.800 271 E CB -0.175 29.575 29.700 0.084 0.000 0.752 271 E HN 0.439 nan 8.360 nan 0.000 0.447 272 I N 0.834 121.372 120.570 -0.054 0.000 2.361 272 I HA -0.213 3.958 4.170 0.002 0.000 0.251 272 I C 2.051 178.134 176.117 -0.057 0.000 1.133 272 I CA 1.524 62.763 61.300 -0.102 0.000 1.413 272 I CB -0.342 37.648 38.000 -0.015 0.000 1.073 272 I HN 0.114 nan 8.210 nan 0.000 0.424 273 T N 0.638 115.188 114.554 -0.006 0.000 2.788 273 T HA -0.119 4.232 4.350 0.002 0.000 0.268 273 T C 1.763 176.552 174.700 0.147 0.000 1.044 273 T CA 1.383 63.529 62.100 0.076 0.000 1.139 273 T CB -0.181 68.729 68.868 0.069 0.000 0.867 273 T HN 0.369 nan 8.240 nan 0.000 0.454 274 E N 1.320 121.566 120.200 0.077 0.000 2.051 274 E HA -0.007 4.344 4.350 0.002 0.000 0.192 274 E C 2.347 178.984 176.600 0.063 0.000 0.991 274 E CA 0.755 57.200 56.400 0.075 0.000 0.799 274 E CB -0.559 29.158 29.700 0.029 0.000 0.748 274 E HN 0.457 nan 8.360 nan 0.000 0.449 275 L N 0.347 121.563 121.223 -0.012 0.000 2.131 275 L HA -0.203 4.138 4.340 0.002 0.000 0.210 275 L C 2.673 179.620 176.870 0.129 0.000 1.092 275 L CA 0.857 55.711 54.840 0.022 0.000 0.759 275 L CB -0.439 41.528 42.059 -0.154 0.000 0.903 275 L HN 0.178 nan 8.230 nan 0.000 0.435 276 C N -0.098 119.250 119.300 0.081 0.000 2.446 276 C HA -0.116 4.345 4.460 0.002 0.000 0.277 276 C C 2.700 177.864 174.990 0.289 0.000 1.275 276 C CA 0.359 59.444 59.018 0.110 0.000 1.727 276 C CB -0.579 27.157 27.740 -0.007 0.000 2.010 276 C HN 0.430 nan 8.230 nan 0.000 0.486 277 I N 0.592 121.362 120.570 0.333 0.000 2.315 277 I HA -0.251 3.920 4.170 0.002 0.000 0.248 277 I C 2.750 178.941 176.117 0.122 0.000 1.117 277 I CA 1.473 62.917 61.300 0.240 0.000 1.404 277 I CB -0.760 37.334 38.000 0.158 0.000 1.071 277 I HN 0.466 nan 8.210 nan 0.000 0.419 278 Q N 0.688 120.551 119.800 0.105 0.000 2.234 278 Q HA -0.237 4.104 4.340 0.002 0.000 0.206 278 Q C 1.026 176.976 176.000 -0.083 0.000 0.980 278 Q CA 1.637 57.447 55.803 0.011 0.000 0.869 278 Q CB 0.009 28.760 28.738 0.022 0.000 0.912 278 Q HN 0.590 nan 8.270 nan 0.000 0.436 279 H N -1.834 117.225 119.070 -0.020 0.000 2.524 279 H HA 0.286 4.843 4.556 0.002 0.000 0.299 279 H C 0.597 175.900 175.328 -0.042 0.000 1.074 279 H CA 0.607 56.617 56.048 -0.063 0.000 1.115 279 H CB 0.818 30.497 29.762 -0.138 0.000 1.522 279 H HN 0.468 nan 8.280 nan 0.000 0.543 280 G N -0.312 108.525 108.800 0.063 0.000 2.213 280 G HA2 -0.275 3.686 3.960 0.002 0.000 0.236 280 G HA3 -0.275 3.686 3.960 0.002 0.000 0.236 280 G C 0.154 175.116 174.900 0.102 0.000 0.991 280 G CA -0.117 45.009 45.100 0.043 0.000 0.629 280 G HN 0.402 nan 8.290 nan 0.000 0.517 281 W N 3.590 124.867 121.300 -0.037 0.000 2.210 281 W HA 0.529 5.190 4.660 0.002 0.000 0.330 281 W C 1.004 177.513 176.519 -0.016 0.000 1.334 281 W CA 0.463 57.790 57.345 -0.031 0.000 1.227 281 W CB 0.652 30.101 29.460 -0.017 0.000 1.178 281 W HN 0.488 nan 8.180 nan 0.000 0.560 282 T N 6.893 121.090 114.554 -0.594 0.000 2.794 282 T HA 0.347 4.698 4.350 0.002 0.000 0.304 282 T C -1.975 171.982 174.700 -1.239 0.000 0.973 282 T CA -1.686 60.024 62.100 -0.650 0.000 0.972 282 T CB 0.524 69.181 68.868 -0.351 0.000 0.952 282 T HN 0.341 nan 8.240 nan 0.000 0.509 283 P HA 0.323 nan 4.420 nan 0.000 0.271 283 P C 0.554 177.442 177.300 -0.687 0.000 1.233 283 P CA -0.112 62.247 63.100 -1.236 0.000 0.789 283 P CB 0.761 32.074 31.700 -0.646 0.000 0.951 284 G N 0.560 109.101 108.800 -0.432 0.000 2.890 284 G HA2 0.338 4.299 3.960 0.002 0.000 0.189 284 G HA3 0.338 4.299 3.960 0.002 0.000 0.189 284 G C 0.024 174.635 174.900 -0.483 0.000 1.342 284 G CA -0.530 44.423 45.100 -0.245 0.000 1.026 284 G HN 0.719 nan 8.290 nan 0.000 0.579 285 N N -0.377 118.214 118.700 -0.181 0.000 2.595 285 N HA 0.238 4.979 4.740 0.002 0.000 0.291 285 N C 0.080 175.647 175.510 0.096 0.000 1.706 285 N CA -0.036 52.911 53.050 -0.172 0.000 0.867 285 N CB 0.752 39.141 38.487 -0.163 0.000 1.414 285 N HN 0.698 nan 8.380 nan 0.000 0.492 286 G N 0.190 109.163 108.800 0.289 0.000 2.667 286 G HA2 0.443 4.404 3.960 0.002 0.000 0.310 286 G HA3 0.443 4.404 3.960 0.002 0.000 0.310 286 G C 0.397 175.400 174.900 0.172 0.000 1.259 286 G CA -0.702 44.527 45.100 0.215 0.000 1.019 286 G HN 0.116 nan 8.290 nan 0.000 0.496 287 R N -1.285 119.229 120.500 0.023 0.000 2.223 287 R HA 0.167 4.508 4.340 0.002 0.000 0.198 287 R C -0.103 175.831 176.300 -0.611 0.000 0.984 287 R CA 0.558 56.500 56.100 -0.264 0.000 1.018 287 R CB 0.262 30.366 30.300 -0.327 0.000 0.945 287 R HN 0.379 nan 8.270 nan 0.000 0.479 288 F N 1.092 120.982 119.950 -0.099 0.000 2.679 288 F HA 0.265 4.793 4.527 0.002 0.000 0.354 288 F C -0.622 175.131 175.800 -0.079 0.000 1.423 288 F CA -0.976 56.708 58.000 -0.527 0.000 1.141 288 F CB 0.670 39.194 39.000 -0.793 0.000 1.168 288 F HN -0.293 nan 8.300 nan 0.000 0.530 289 D N 1.644 122.195 120.400 0.253 0.000 2.347 289 D HA 0.189 4.830 4.640 0.002 0.000 0.235 289 D C 0.149 176.685 176.300 0.393 0.000 1.149 289 D CA 0.093 54.308 54.000 0.357 0.000 0.850 289 D CB 2.133 43.188 40.800 0.425 0.000 1.061 289 D HN -0.061 nan 8.370 nan 0.000 0.487 290 V N 3.974 124.096 119.914 0.347 0.000 2.540 290 V HA -0.021 4.101 4.120 0.002 0.000 0.297 290 V C 1.063 177.156 176.094 -0.002 0.000 1.024 290 V CA -0.086 62.295 62.300 0.135 0.000 1.105 290 V CB 0.123 31.986 31.823 0.068 0.000 0.938 290 V HN 0.335 nan 8.190 nan 0.000 0.482 291 L N 8.000 129.121 121.223 -0.170 0.000 2.466 291 L HA 0.414 4.755 4.340 0.002 0.000 0.257 291 L C -1.741 174.868 176.870 -0.434 0.000 1.189 291 L CA -1.407 53.173 54.840 -0.433 0.000 0.813 291 L CB 0.907 42.741 42.059 -0.374 0.000 1.118 291 L HN 0.488 nan 8.230 nan 0.000 0.471 292 P HA 0.322 nan 4.420 nan 0.000 0.283 292 P C -1.300 175.831 177.300 -0.282 0.000 1.271 292 P CA -0.604 62.235 63.100 -0.435 0.000 0.841 292 P CB 1.305 32.623 31.700 -0.637 0.000 1.122 293 L N 1.072 122.222 121.223 -0.121 0.000 2.325 293 L HA 0.405 4.746 4.340 0.002 0.000 0.279 293 L C 0.498 177.337 176.870 -0.052 0.000 1.054 293 L CA -0.795 54.021 54.840 -0.040 0.000 0.804 293 L CB 0.670 42.778 42.059 0.082 0.000 1.200 293 L HN 0.200 nan 8.230 nan 0.000 0.436 294 L N 5.013 126.182 121.223 -0.091 0.000 2.297 294 L HA 0.422 4.763 4.340 0.002 0.000 0.277 294 L C -0.546 176.212 176.870 -0.186 0.000 1.040 294 L CA -0.257 54.434 54.840 -0.250 0.000 0.867 294 L CB 0.705 42.503 42.059 -0.434 0.000 1.244 294 L HN 0.448 nan 8.230 nan 0.000 0.433 295 L N 3.643 124.842 121.223 -0.041 0.000 2.312 295 L HA 0.444 4.785 4.340 0.002 0.000 0.281 295 L C -0.064 176.755 176.870 -0.086 0.000 1.070 295 L CA -0.224 54.608 54.840 -0.013 0.000 0.805 295 L CB 1.526 43.604 42.059 0.032 0.000 1.174 295 L HN 0.565 nan 8.230 nan 0.000 0.434 296 Q N 2.590 122.352 119.800 -0.063 0.000 2.325 296 Q HA 0.645 4.986 4.340 0.002 0.000 0.270 296 Q C -1.134 174.807 176.000 -0.099 0.000 1.020 296 Q CA -0.609 55.152 55.803 -0.071 0.000 0.785 296 Q CB 2.158 30.914 28.738 0.029 0.000 1.259 296 Q HN 0.781 nan 8.270 nan 0.000 0.452 297 A N 4.994 127.703 122.820 -0.185 0.000 2.286 297 A HA 0.649 4.970 4.320 0.002 0.000 0.286 297 A C -2.413 174.910 177.584 -0.435 0.000 1.097 297 A CA -1.598 50.160 52.037 -0.464 0.000 0.821 297 A CB 0.139 18.973 19.000 -0.278 0.000 1.076 297 A HN 0.630 nan 8.150 nan 0.000 0.490 298 P HA -0.044 nan 4.420 nan 0.000 0.263 298 P C -0.545 176.658 177.300 -0.161 0.000 1.168 298 P CA 0.834 63.731 63.100 -0.337 0.000 0.759 298 P CB 0.121 31.622 31.700 -0.331 0.000 0.782 299 D N -0.076 120.279 120.400 -0.076 0.000 2.782 299 D HA -0.208 4.434 4.640 0.002 0.000 0.231 299 D C -0.003 176.284 176.300 -0.022 0.000 1.163 299 D CA 1.353 55.337 54.000 -0.027 0.000 0.680 299 D CB -0.499 40.288 40.800 -0.023 0.000 1.062 299 D HN 0.457 nan 8.370 nan 0.000 0.425 300 E N -0.791 119.389 120.200 -0.032 0.000 2.317 300 E HA 0.632 4.983 4.350 0.002 0.000 0.270 300 E C -0.142 176.449 176.600 -0.015 0.000 0.885 300 E CA -0.800 55.583 56.400 -0.029 0.000 0.760 300 E CB 1.835 31.500 29.700 -0.058 0.000 1.227 300 E HN 0.131 nan 8.360 nan 0.000 0.434 301 A N 3.669 126.483 122.820 -0.010 0.000 2.498 301 A HA 0.317 4.638 4.320 0.002 0.000 0.239 301 A C -1.938 175.565 177.584 -0.136 0.000 1.068 301 A CA -0.739 51.288 52.037 -0.017 0.000 0.766 301 A CB -0.525 18.486 19.000 0.019 0.000 1.003 301 A HN 0.275 nan 8.150 nan 0.000 0.497 302 P HA 0.167 nan 4.420 nan 0.000 0.269 302 P C -0.500 176.561 177.300 -0.399 0.000 1.215 302 P CA 0.128 62.902 63.100 -0.543 0.000 0.780 302 P CB 0.769 31.689 31.700 -1.301 0.000 0.898 303 E N 0.460 120.484 120.200 -0.292 0.000 2.222 303 E HA 0.455 4.806 4.350 0.002 0.000 0.267 303 E C -0.820 175.486 176.600 -0.490 0.000 0.963 303 E CA -1.073 55.115 56.400 -0.353 0.000 0.837 303 E CB 1.286 30.793 29.700 -0.321 0.000 1.183 303 E HN 0.259 nan 8.360 nan 0.000 0.403 304 L N 2.437 123.268 121.223 -0.653 0.000 2.275 304 L HA 0.421 4.762 4.340 0.002 0.000 0.288 304 L C -1.597 174.729 176.870 -0.907 0.000 1.046 304 L CA 0.050 54.556 54.840 -0.558 0.000 0.805 304 L CB 0.238 42.103 42.059 -0.322 0.000 1.193 304 L HN 0.391 nan 8.230 nan 0.000 0.426 305 F N 4.362 124.090 119.950 -0.370 0.000 2.539 305 F HA 0.440 4.968 4.527 0.002 0.000 0.328 305 F C -0.205 175.353 175.800 -0.403 0.000 1.148 305 F CA -0.921 56.718 58.000 -0.601 0.000 0.940 305 F CB 1.715 40.025 39.000 -1.150 0.000 1.194 305 F HN 0.011 nan 8.300 nan 0.000 0.438 306 V N 4.833 124.663 119.914 -0.140 0.000 2.498 306 V HA 0.223 4.344 4.120 0.002 0.000 0.279 306 V C 0.274 176.457 176.094 0.148 0.000 1.048 306 V CA -0.609 61.685 62.300 -0.010 0.000 0.967 306 V CB 1.276 33.121 31.823 0.037 0.000 0.988 306 V HN 0.539 nan 8.190 nan 0.000 0.473 307 L N 7.392 128.710 121.223 0.157 0.000 2.360 307 L HA 0.302 4.643 4.340 0.002 0.000 0.276 307 L C -2.111 174.846 176.870 0.146 0.000 1.121 307 L CA -1.539 53.426 54.840 0.208 0.000 0.845 307 L CB 0.736 42.856 42.059 0.101 0.000 1.143 307 L HN 0.454 nan 8.230 nan 0.000 0.452 308 P HA 0.075 nan 4.420 nan 0.000 0.265 308 P C -1.994 175.347 177.300 0.069 0.000 1.222 308 P CA -0.951 62.211 63.100 0.104 0.000 0.767 308 P CB 0.413 32.167 31.700 0.090 0.000 0.801 309 P HA -0.290 nan 4.420 nan 0.000 0.219 309 P C 1.476 178.803 177.300 0.045 0.000 1.153 309 P CA 1.507 64.643 63.100 0.060 0.000 0.865 309 P CB -0.131 31.607 31.700 0.064 0.000 0.788 310 E N -0.525 119.698 120.200 0.038 0.000 2.153 310 E HA -0.165 4.186 4.350 0.002 0.000 0.194 310 E C 1.750 178.362 176.600 0.021 0.000 0.988 310 E CA 1.293 57.709 56.400 0.026 0.000 0.811 310 E CB -1.214 28.499 29.700 0.022 0.000 0.746 310 E HN 0.221 nan 8.360 nan 0.000 0.466 311 L N 1.188 122.423 121.223 0.020 0.000 2.109 311 L HA -0.027 4.314 4.340 0.002 0.000 0.207 311 L C 1.312 178.193 176.870 0.017 0.000 1.086 311 L CA 0.763 55.609 54.840 0.011 0.000 0.760 311 L CB -0.113 41.943 42.059 -0.004 0.000 0.910 311 L HN -0.083 nan 8.230 nan 0.000 0.437 312 V N 2.160 122.086 119.914 0.020 0.000 2.276 312 V HA 0.083 4.204 4.120 0.002 0.000 0.249 312 V C 0.168 176.287 176.094 0.042 0.000 1.160 312 V CA -0.647 61.664 62.300 0.018 0.000 1.042 312 V CB 0.079 31.902 31.823 -0.000 0.000 1.224 312 V HN 0.054 nan 8.190 nan 0.000 0.496 313 L N 5.157 126.410 121.223 0.050 0.000 2.455 313 L HA 0.340 4.681 4.340 0.002 0.000 0.272 313 L C 0.227 177.138 176.870 0.067 0.000 1.174 313 L CA 0.766 55.632 54.840 0.043 0.000 0.869 313 L CB 0.243 42.322 42.059 0.035 0.000 1.130 313 L HN 0.626 nan 8.230 nan 0.000 0.474 314 E N 3.424 123.643 120.200 0.031 0.000 2.343 314 E HA 0.553 4.904 4.350 0.002 0.000 0.270 314 E C -1.472 175.084 176.600 -0.073 0.000 0.895 314 E CA -1.022 55.399 56.400 0.036 0.000 0.767 314 E CB 2.399 32.147 29.700 0.081 0.000 1.248 314 E HN 0.379 nan 8.360 nan 0.000 0.440 315 V N 2.846 122.685 119.914 -0.125 0.000 2.384 315 V HA 0.315 4.436 4.120 0.002 0.000 0.287 315 V C -2.403 173.621 176.094 -0.117 0.000 1.020 315 V CA -2.077 60.076 62.300 -0.244 0.000 0.850 315 V CB 1.256 32.666 31.823 -0.689 0.000 0.987 315 V HN 0.526 nan 8.190 nan 0.000 0.436 316 P HA 0.300 nan 4.420 nan 0.000 0.276 316 P C -0.655 176.641 177.300 -0.007 0.000 1.235 316 P CA -0.141 62.922 63.100 -0.062 0.000 0.772 316 P CB 0.546 32.216 31.700 -0.050 0.000 0.871 317 L N 4.031 125.281 121.223 0.045 0.000 2.276 317 L HA 0.475 4.816 4.340 0.002 0.000 0.286 317 L C 0.965 177.989 176.870 0.257 0.000 1.061 317 L CA -0.103 54.835 54.840 0.163 0.000 0.807 317 L CB 0.469 42.684 42.059 0.259 0.000 1.177 317 L HN 0.490 nan 8.230 nan 0.000 0.429 318 E N 2.041 122.372 120.200 0.218 0.000 2.413 318 E HA 0.371 4.722 4.350 0.002 0.000 0.277 318 E C -1.421 175.215 176.600 0.061 0.000 0.958 318 E CA -0.944 55.599 56.400 0.238 0.000 0.779 318 E CB 2.102 31.901 29.700 0.164 0.000 1.278 318 E HN 0.483 nan 8.360 nan 0.000 0.456 319 H N 1.943 120.896 119.070 -0.195 0.000 2.467 319 H HA 0.234 4.791 4.556 0.002 0.000 0.331 319 H C -1.668 173.391 175.328 -0.448 0.000 1.120 319 H CA -2.168 53.614 56.048 -0.442 0.000 1.270 319 H CB 1.969 31.359 29.762 -0.621 0.000 1.466 319 H HN 0.450 nan 8.280 nan 0.000 0.504 320 P HA -0.113 nan 4.420 nan 0.000 0.222 320 P C 0.881 178.008 177.300 -0.288 0.000 1.147 320 P CA 1.598 64.177 63.100 -0.869 0.000 0.790 320 P CB 0.502 31.655 31.700 -0.910 0.000 0.780 321 T N -4.271 110.301 114.554 0.029 0.000 3.057 321 T HA 0.181 4.532 4.350 0.002 0.000 0.254 321 T C 0.861 175.554 174.700 -0.011 0.000 0.965 321 T CA -0.243 61.877 62.100 0.034 0.000 0.978 321 T CB -0.680 68.218 68.868 0.050 0.000 1.169 321 T HN -0.074 nan 8.240 nan 0.000 0.489 322 L N 3.065 124.227 121.223 -0.103 0.000 2.433 322 L HA 0.394 4.735 4.340 0.002 0.000 0.284 322 L C 1.712 178.294 176.870 -0.480 0.000 1.120 322 L CA -0.175 54.381 54.840 -0.474 0.000 0.879 322 L CB 0.643 42.075 42.059 -1.044 0.000 1.232 322 L HN 0.322 nan 8.230 nan 0.000 0.454 323 E N 4.339 124.395 120.200 -0.239 0.000 2.204 323 E HA -0.183 4.168 4.350 0.002 0.000 0.195 323 E C 1.617 178.183 176.600 -0.056 0.000 0.990 323 E CA 1.421 57.768 56.400 -0.089 0.000 0.821 323 E CB 0.113 29.834 29.700 0.036 0.000 0.750 323 E HN 0.787 nan 8.360 nan 0.000 0.477 324 W N -0.583 120.769 121.300 0.088 0.000 2.678 324 W HA -0.032 4.629 4.660 0.002 0.000 0.256 324 W C 1.299 177.868 176.519 0.083 0.000 1.280 324 W CA -0.323 57.061 57.345 0.065 0.000 1.345 324 W CB -1.026 28.453 29.460 0.031 0.000 1.118 324 W HN 0.017 nan 8.180 nan 0.000 0.629 325 F N 2.940 122.556 119.950 -0.557 0.000 2.095 325 F HA -0.162 4.366 4.527 0.002 0.000 0.298 325 F C 2.733 178.505 175.800 -0.047 0.000 1.104 325 F CA 3.142 60.932 58.000 -0.351 0.000 1.232 325 F CB -0.615 38.098 39.000 -0.477 0.000 0.987 325 F HN -0.077 nan 8.300 nan 0.000 0.475 326 A N 0.095 123.004 122.820 0.148 0.000 1.978 326 A HA -0.160 4.161 4.320 0.002 0.000 0.220 326 A C 2.359 179.975 177.584 0.052 0.000 1.170 326 A CA 1.740 53.846 52.037 0.114 0.000 0.636 326 A CB -1.518 17.539 19.000 0.095 0.000 0.810 326 A HN 0.481 nan 8.150 nan 0.000 0.448 327 A N -0.116 122.746 122.820 0.070 0.000 1.978 327 A HA -0.084 4.237 4.320 0.002 0.000 0.220 327 A C 2.010 179.616 177.584 0.036 0.000 1.170 327 A CA 1.451 53.531 52.037 0.071 0.000 0.636 327 A CB -0.656 18.417 19.000 0.122 0.000 0.810 327 A HN 0.517 nan 8.150 nan 0.000 0.448 328 L N -0.967 120.245 121.223 -0.019 0.000 2.349 328 L HA -0.100 4.241 4.340 0.002 0.000 0.220 328 L C 1.860 178.723 176.870 -0.011 0.000 1.130 328 L CA 0.694 55.499 54.840 -0.058 0.000 0.791 328 L CB -0.815 41.088 42.059 -0.261 0.000 0.918 328 L HN 0.624 nan 8.230 nan 0.000 0.444 329 G N 0.377 109.170 108.800 -0.012 0.000 2.179 329 G HA2 -0.296 3.665 3.960 0.002 0.000 0.257 329 G HA3 -0.296 3.665 3.960 0.002 0.000 0.257 329 G C 0.230 175.085 174.900 -0.075 0.000 1.010 329 G CA 0.039 45.136 45.100 -0.005 0.000 0.736 329 G HN 0.279 nan 8.290 nan 0.000 0.513 330 L N -0.233 120.928 121.223 -0.102 0.000 2.436 330 L HA 0.724 5.066 4.340 0.002 0.000 0.265 330 L C 1.119 177.764 176.870 -0.374 0.000 1.168 330 L CA -0.373 54.335 54.840 -0.221 0.000 0.815 330 L CB 0.808 42.858 42.059 -0.016 0.000 1.109 330 L HN 0.583 nan 8.230 nan 0.000 0.462 331 R N 1.641 121.707 120.500 -0.724 0.000 2.712 331 R HA 0.488 4.829 4.340 0.002 0.000 0.272 331 R C -2.226 173.968 176.300 -0.177 0.000 1.032 331 R CA -1.014 54.829 56.100 -0.428 0.000 0.874 331 R CB 1.689 31.679 30.300 -0.516 0.000 1.256 331 R HN 0.667 nan 8.270 nan 0.000 0.468 332 W N 2.169 123.431 121.300 -0.063 0.000 3.213 332 W HA 0.322 4.983 4.660 0.002 0.000 0.318 332 W C -1.184 175.451 176.519 0.192 0.000 1.248 332 W CA -0.986 56.434 57.345 0.125 0.000 1.187 332 W CB 1.826 31.268 29.460 -0.030 0.000 1.403 332 W HN 0.705 nan 8.180 nan 0.000 0.556 333 Y N 1.338 121.557 120.300 -0.135 0.000 2.357 333 Y HA 0.506 5.057 4.550 0.002 0.000 0.340 333 Y C 0.839 176.998 175.900 0.432 0.000 1.260 333 Y CA 0.321 58.455 58.100 0.057 0.000 1.425 333 Y CB 0.129 38.489 38.460 -0.166 0.000 1.326 333 Y HN 0.343 nan 8.280 nan 0.000 0.580 334 A N 2.021 125.135 122.820 0.490 0.000 1.975 334 A HA 0.083 4.404 4.320 0.002 0.000 0.215 334 A C 0.508 178.431 177.584 0.564 0.000 1.170 334 A CA 0.337 52.693 52.037 0.531 0.000 0.656 334 A CB -0.301 18.849 19.000 0.250 0.000 0.821 334 A HN 0.682 nan 8.150 nan 0.000 0.449 335 L N 2.012 123.520 121.223 0.476 0.000 2.262 335 L HA 0.422 4.763 4.340 0.002 0.000 0.288 335 L C -2.577 174.433 176.870 0.233 0.000 1.035 335 L CA -2.168 52.850 54.840 0.296 0.000 0.820 335 L CB 1.547 43.714 42.059 0.180 0.000 1.204 335 L HN -0.023 nan 8.230 nan 0.000 0.424 336 P HA 0.333 nan 4.420 nan 0.000 0.291 336 P C -1.445 175.766 177.300 -0.149 0.000 1.378 336 P CA -0.334 62.620 63.100 -0.243 0.000 0.853 336 P CB 1.336 32.489 31.700 -0.912 0.000 1.002 337 A N 4.580 127.323 122.820 -0.129 0.000 2.409 337 A HA 0.415 4.736 4.320 0.002 0.000 0.300 337 A C -0.175 177.192 177.584 -0.362 0.000 1.273 337 A CA -0.668 51.227 52.037 -0.237 0.000 0.774 337 A CB 0.782 19.666 19.000 -0.194 0.000 1.144 337 A HN 0.299 nan 8.150 nan 0.000 0.472 338 V N 2.780 122.311 119.914 -0.639 0.000 2.572 338 V HA 0.262 4.383 4.120 0.002 0.000 0.291 338 V C 1.213 176.897 176.094 -0.684 0.000 1.039 338 V CA 1.250 63.134 62.300 -0.693 0.000 1.055 338 V CB 1.225 32.465 31.823 -0.972 0.000 0.969 338 V HN 1.117 nan 8.190 nan 0.000 0.482 339 S N 1.486 116.991 115.700 -0.324 0.000 2.847 339 S HA 0.063 4.534 4.470 0.002 0.000 0.254 339 S C 0.739 175.317 174.600 -0.037 0.000 1.039 339 S CA 0.041 58.136 58.200 -0.176 0.000 1.113 339 S CB -0.393 62.742 63.200 -0.108 0.000 1.092 339 S HN 0.906 nan 8.310 nan 0.000 0.620 340 N N 0.473 119.160 118.700 -0.023 0.000 2.205 340 N HA 0.287 5.028 4.740 0.002 0.000 0.201 340 N C 0.247 175.811 175.510 0.090 0.000 1.128 340 N CA -0.471 52.611 53.050 0.052 0.000 0.867 340 N CB 0.107 38.634 38.487 0.066 0.000 0.996 340 N HN 0.283 nan 8.380 nan 0.000 0.503 341 M N 1.357 121.016 119.600 0.098 0.000 2.359 341 M HA 0.330 4.811 4.480 0.002 0.000 0.322 341 M C -0.577 175.857 176.300 0.222 0.000 1.166 341 M CA -0.786 54.618 55.300 0.173 0.000 1.067 341 M CB 2.328 35.056 32.600 0.212 0.000 1.523 341 M HN 0.101 nan 8.290 nan 0.000 0.467 342 L N 2.644 123.987 121.223 0.200 0.000 2.317 342 L HA 0.555 4.896 4.340 0.002 0.000 0.281 342 L C -1.407 175.572 176.870 0.183 0.000 1.024 342 L CA -0.963 53.983 54.840 0.178 0.000 0.810 342 L CB 1.258 43.375 42.059 0.096 0.000 1.240 342 L HN 0.593 nan 8.230 nan 0.000 0.427 343 L N 5.144 126.471 121.223 0.173 0.000 2.272 343 L HA 0.471 4.812 4.340 0.002 0.000 0.289 343 L C -0.562 176.324 176.870 0.027 0.000 1.032 343 L CA 0.231 55.057 54.840 -0.024 0.000 0.810 343 L CB 1.198 43.222 42.059 -0.059 0.000 1.205 343 L HN 0.641 nan 8.230 nan 0.000 0.422 344 E N 6.598 126.728 120.200 -0.116 0.000 2.145 344 E HA 0.408 4.759 4.350 0.002 0.000 0.270 344 E C -1.603 174.905 176.600 -0.154 0.000 0.906 344 E CA -0.441 55.908 56.400 -0.085 0.000 0.761 344 E CB 1.150 30.795 29.700 -0.091 0.000 1.116 344 E HN 0.737 nan 8.360 nan 0.000 0.408 345 I N 2.380 122.868 120.570 -0.137 0.000 2.478 345 I HA 0.278 4.449 4.170 0.002 0.000 0.287 345 I C 0.854 176.751 176.117 -0.368 0.000 1.042 345 I CA -0.829 60.256 61.300 -0.358 0.000 1.067 345 I CB 2.042 39.759 38.000 -0.472 0.000 1.233 345 I HN 0.781 nan 8.210 nan 0.000 0.431 346 G N 4.249 112.849 108.800 -0.334 0.000 2.422 346 G HA2 -0.125 3.836 3.960 0.002 0.000 0.301 346 G HA3 -0.125 3.836 3.960 0.002 0.000 0.301 346 G C 1.047 176.004 174.900 0.094 0.000 0.981 346 G CA 0.940 46.043 45.100 0.006 0.000 0.994 346 G HN 1.568 nan 8.290 nan 0.000 0.514 347 G N -2.060 106.743 108.800 0.005 0.000 2.225 347 G HA2 -0.251 3.710 3.960 0.002 0.000 0.254 347 G HA3 -0.251 3.710 3.960 0.002 0.000 0.254 347 G C 0.501 175.341 174.900 -0.099 0.000 0.988 347 G CA 0.486 45.587 45.100 0.001 0.000 0.625 347 G HN 1.258 nan 8.290 nan 0.000 0.527 348 L N 0.825 121.933 121.223 -0.192 0.000 2.350 348 L HA 0.606 4.947 4.340 0.002 0.000 0.275 348 L C 0.297 176.931 176.870 -0.393 0.000 1.099 348 L CA -0.490 54.118 54.840 -0.386 0.000 0.808 348 L CB 1.184 42.922 42.059 -0.534 0.000 1.149 348 L HN 0.190 nan 8.230 nan 0.000 0.442 349 E N 2.448 122.337 120.200 -0.518 0.000 2.187 349 E HA 0.405 4.756 4.350 0.002 0.000 0.268 349 E C -1.522 174.732 176.600 -0.576 0.000 0.896 349 E CA -0.459 55.717 56.400 -0.374 0.000 0.766 349 E CB 1.909 31.493 29.700 -0.195 0.000 1.142 349 E HN 0.267 nan 8.360 nan 0.000 0.408 350 F N 1.868 121.784 119.950 -0.058 0.000 2.311 350 F HA 0.105 4.633 4.527 0.002 0.000 0.371 350 F C 1.455 177.286 175.800 0.051 0.000 1.083 350 F CA -0.532 57.461 58.000 -0.012 0.000 1.113 350 F CB 1.235 40.211 39.000 -0.040 0.000 1.349 350 F HN 0.446 nan 8.300 nan 0.000 0.470 351 S N 1.406 117.199 115.700 0.156 0.000 2.474 351 S HA 0.143 4.614 4.470 0.002 0.000 0.235 351 S C 0.829 175.553 174.600 0.207 0.000 0.997 351 S CA 0.462 58.754 58.200 0.154 0.000 0.949 351 S CB 0.007 63.277 63.200 0.117 0.000 0.766 351 S HN 0.505 nan 8.310 nan 0.000 0.517 352 A N 0.452 123.439 122.820 0.277 0.000 2.466 352 A HA 0.819 5.140 4.320 0.002 0.000 0.291 352 A C -0.226 177.597 177.584 0.399 0.000 1.234 352 A CA -0.162 52.065 52.037 0.317 0.000 0.752 352 A CB 0.858 20.035 19.000 0.295 0.000 1.153 352 A HN 0.968 nan 8.150 nan 0.000 0.458 353 A N 4.125 127.126 122.820 0.301 0.000 3.300 353 A HA 0.659 4.980 4.320 0.002 0.000 0.300 353 A C -3.019 174.695 177.584 0.216 0.000 1.099 353 A CA -1.051 51.128 52.037 0.236 0.000 0.846 353 A CB 0.513 19.657 19.000 0.239 0.000 1.255 353 A HN 0.492 nan 8.150 nan 0.000 0.519 354 P HA 0.416 nan 4.420 nan 0.000 0.271 354 P C -0.807 176.464 177.300 -0.048 0.000 1.220 354 P CA 0.396 63.429 63.100 -0.111 0.000 0.768 354 P CB 0.295 31.897 31.700 -0.163 0.000 0.848 355 F N 0.192 120.072 119.950 -0.117 0.000 2.588 355 F HA 0.808 5.336 4.527 0.002 0.000 0.314 355 F C -0.544 175.167 175.800 -0.148 0.000 1.069 355 F CA -1.225 56.711 58.000 -0.107 0.000 0.931 355 F CB 1.662 40.482 39.000 -0.299 0.000 1.260 355 F HN 0.427 nan 8.300 nan 0.000 0.465 356 S N 0.105 115.905 115.700 0.166 0.000 2.570 356 S HA 0.926 5.397 4.470 0.002 0.000 0.270 356 S C -0.793 173.765 174.600 -0.070 0.000 1.149 356 S CA -0.174 58.049 58.200 0.038 0.000 0.837 356 S CB 1.433 64.709 63.200 0.126 0.000 1.124 356 S HN 1.509 nan 8.310 nan 0.000 0.465 357 G N -0.097 108.618 108.800 -0.142 0.000 3.420 357 G HA2 0.715 4.676 3.960 0.002 0.000 0.183 357 G HA3 0.715 4.676 3.960 0.002 0.000 0.183 357 G C -1.513 173.390 174.900 0.005 0.000 1.315 357 G CA -0.147 44.802 45.100 -0.250 0.000 0.958 357 G HN 1.226 nan 8.290 nan 0.000 0.745 358 W N -1.361 119.946 121.300 0.011 0.000 3.083 358 W HA 0.814 5.475 4.660 0.002 0.000 0.333 358 W C -1.763 174.763 176.519 0.012 0.000 1.217 358 W CA -2.171 55.196 57.345 0.037 0.000 1.170 358 W CB 0.422 29.942 29.460 0.101 0.000 1.437 358 W HN 0.379 nan 8.180 nan 0.000 0.557 359 Y N 2.610 123.092 120.300 0.304 0.000 2.326 359 Y HA 0.321 4.872 4.550 0.002 0.000 0.333 359 Y C 0.794 176.751 175.900 0.095 0.000 1.240 359 Y CA -0.712 57.451 58.100 0.105 0.000 1.365 359 Y CB 1.211 39.636 38.460 -0.059 0.000 1.289 359 Y HN 0.470 nan 8.280 nan 0.000 0.548 360 M N 2.132 121.884 119.600 0.255 0.000 2.180 360 M HA 0.200 4.681 4.480 0.002 0.000 0.350 360 M C 1.068 177.362 176.300 -0.010 0.000 1.125 360 M CA -0.263 55.112 55.300 0.127 0.000 1.031 360 M CB 1.106 33.761 32.600 0.091 0.000 1.623 360 M HN 0.849 nan 8.290 nan 0.000 0.451 361 S N 1.449 117.105 115.700 -0.073 0.000 2.400 361 S HA -0.232 4.239 4.470 0.002 0.000 0.234 361 S C 1.473 175.941 174.600 -0.220 0.000 1.049 361 S CA 2.358 60.444 58.200 -0.191 0.000 1.039 361 S CB -1.512 61.622 63.200 -0.109 0.000 0.856 361 S HN 0.927 nan 8.310 nan 0.000 0.465 362 T N 0.006 114.464 114.554 -0.160 0.000 2.962 362 T HA -0.007 4.344 4.350 0.002 0.000 0.270 362 T C 1.548 176.092 174.700 -0.260 0.000 1.088 362 T CA 1.199 63.155 62.100 -0.240 0.000 1.127 362 T CB -0.559 68.125 68.868 -0.306 0.000 0.883 362 T HN 0.618 nan 8.240 nan 0.000 0.493 363 E N 0.868 120.929 120.200 -0.232 0.000 2.110 363 E HA -0.028 4.323 4.350 0.002 0.000 0.193 363 E C 2.014 178.331 176.600 -0.472 0.000 0.988 363 E CA 1.289 57.548 56.400 -0.235 0.000 0.804 363 E CB -0.255 29.435 29.700 -0.016 0.000 0.745 363 E HN 0.607 nan 8.360 nan 0.000 0.458 364 I N 0.047 120.209 120.570 -0.680 0.000 2.364 364 I HA -0.032 4.139 4.170 0.002 0.000 0.241 364 I C 2.602 178.365 176.117 -0.589 0.000 1.082 364 I CA 0.831 61.568 61.300 -0.939 0.000 1.401 364 I CB -0.586 36.766 38.000 -1.080 0.000 1.126 364 I HN 0.090 nan 8.210 nan 0.000 0.429 365 G N 0.549 109.108 108.800 -0.402 0.000 2.418 365 G HA2 -0.190 3.771 3.960 0.002 0.000 0.217 365 G HA3 -0.190 3.771 3.960 0.002 0.000 0.217 365 G C 1.638 176.423 174.900 -0.192 0.000 1.158 365 G CA 1.645 46.602 45.100 -0.237 0.000 0.771 365 G HN 0.301 nan 8.290 nan 0.000 0.545 366 T N 0.110 114.530 114.554 -0.223 0.000 2.904 366 T HA 0.085 4.436 4.350 0.002 0.000 0.243 366 T C 2.555 177.146 174.700 -0.183 0.000 1.024 366 T CA 0.436 62.425 62.100 -0.186 0.000 1.158 366 T CB 0.019 68.760 68.868 -0.211 0.000 0.867 366 T HN 0.015 nan 8.240 nan 0.000 0.429 367 R N 1.970 122.338 120.500 -0.220 0.000 2.055 367 R HA 0.138 4.479 4.340 0.002 0.000 0.228 367 R C 2.202 178.379 176.300 -0.206 0.000 1.143 367 R CA 1.091 57.071 56.100 -0.199 0.000 0.945 367 R CB -1.218 28.965 30.300 -0.195 0.000 0.841 367 R HN 0.331 nan 8.270 nan 0.000 0.429 368 N N 0.918 119.436 118.700 -0.303 0.000 2.120 368 N HA -0.078 4.663 4.740 0.002 0.000 0.188 368 N C 1.956 177.368 175.510 -0.163 0.000 1.024 368 N CA 1.047 53.910 53.050 -0.312 0.000 0.852 368 N CB -0.171 37.813 38.487 -0.838 0.000 1.003 368 N HN 0.194 nan 8.380 nan 0.000 0.424 369 L N -0.829 120.261 121.223 -0.222 0.000 2.298 369 L HA 0.089 4.430 4.340 0.002 0.000 0.209 369 L C 1.444 178.339 176.870 0.042 0.000 1.084 369 L CA 0.408 55.221 54.840 -0.046 0.000 0.816 369 L CB 0.172 42.183 42.059 -0.081 0.000 0.967 369 L HN 0.142 nan 8.230 nan 0.000 0.460 370 C N -1.508 117.779 119.300 -0.022 0.000 2.912 370 C HA 0.162 4.623 4.460 0.002 0.000 0.274 370 C C 0.749 175.733 174.990 -0.010 0.000 1.248 370 C CA -0.929 58.090 59.018 0.003 0.000 1.694 370 C CB -0.382 27.346 27.740 -0.020 0.000 2.024 370 C HN 0.299 nan 8.230 nan 0.000 0.605 371 D N 2.848 123.214 120.400 -0.055 0.000 2.472 371 D HA 0.034 4.675 4.640 0.002 0.000 0.237 371 D C -1.033 175.268 176.300 0.001 0.000 1.141 371 D CA -1.241 52.719 54.000 -0.066 0.000 0.875 371 D CB 0.677 41.315 40.800 -0.271 0.000 1.192 371 D HN 0.196 nan 8.370 nan 0.000 0.450 372 P HA -0.152 nan 4.420 nan 0.000 0.218 372 P C 0.667 178.063 177.300 0.160 0.000 1.149 372 P CA 1.300 64.481 63.100 0.135 0.000 0.817 372 P CB 0.014 31.798 31.700 0.140 0.000 0.785 373 H N -2.058 117.022 119.070 0.018 0.000 2.519 373 H HA 0.368 4.925 4.556 0.002 0.000 0.289 373 H C 0.856 176.196 175.328 0.021 0.000 1.040 373 H CA -0.321 55.736 56.048 0.015 0.000 1.165 373 H CB -0.139 29.631 29.762 0.013 0.000 1.462 373 H HN -0.023 nan 8.280 nan 0.000 0.555 374 R N -0.320 120.091 120.500 -0.148 0.000 3.322 374 R HA 0.179 4.520 4.340 0.002 0.000 0.189 374 R C 0.912 177.205 176.300 -0.013 0.000 1.510 374 R CA -0.828 55.221 56.100 -0.084 0.000 0.827 374 R CB -0.762 29.499 30.300 -0.066 0.000 1.856 374 R HN 0.070 nan 8.270 nan 0.000 0.497 375 Y N 1.611 121.919 120.300 0.013 0.000 2.483 375 Y HA -0.146 4.405 4.550 0.002 0.000 0.291 375 Y C 0.782 176.705 175.900 0.039 0.000 1.143 375 Y CA 1.121 59.244 58.100 0.038 0.000 1.289 375 Y CB -0.590 37.928 38.460 0.097 0.000 0.983 375 Y HN 0.536 nan 8.280 nan 0.000 0.556 376 N N 0.851 119.642 118.700 0.153 0.000 2.696 376 N HA -0.238 4.503 4.740 0.002 0.000 0.271 376 N C 0.372 175.966 175.510 0.140 0.000 0.997 376 N CA 0.815 53.934 53.050 0.115 0.000 0.801 376 N CB -1.204 37.334 38.487 0.085 0.000 0.913 376 N HN 0.664 nan 8.380 nan 0.000 0.557 377 I N -3.117 117.550 120.570 0.162 0.000 3.793 377 I HA 0.099 4.270 4.170 0.002 0.000 0.315 377 I C 1.486 177.706 176.117 0.172 0.000 1.275 377 I CA -0.439 60.958 61.300 0.162 0.000 1.214 377 I CB -0.072 38.030 38.000 0.170 0.000 1.018 377 I HN 0.124 nan 8.210 nan 0.000 0.439 378 L N 1.883 123.213 121.223 0.178 0.000 1.997 378 L HA -0.257 4.084 4.340 0.002 0.000 0.216 378 L C 2.633 179.717 176.870 0.356 0.000 1.074 378 L CA 2.299 57.276 54.840 0.229 0.000 0.763 378 L CB -0.944 41.211 42.059 0.161 0.000 0.890 378 L HN 0.533 nan 8.230 nan 0.000 0.434 379 E N -1.024 119.389 120.200 0.356 0.000 2.051 379 E HA -0.246 4.105 4.350 0.002 0.000 0.192 379 E C 1.780 178.439 176.600 0.098 0.000 0.991 379 E CA 1.448 58.002 56.400 0.257 0.000 0.799 379 E CB -0.048 29.738 29.700 0.144 0.000 0.748 379 E HN 0.526 nan 8.360 nan 0.000 0.449 380 D N 0.228 120.685 120.400 0.095 0.000 2.106 380 D HA -0.178 4.463 4.640 0.002 0.000 0.191 380 D C 2.124 178.456 176.300 0.053 0.000 0.997 380 D CA 1.572 55.600 54.000 0.046 0.000 0.834 380 D CB -0.268 40.568 40.800 0.060 0.000 0.956 380 D HN 0.157 nan 8.370 nan 0.000 0.448 381 V N 1.685 121.689 119.914 0.151 0.000 2.343 381 V HA -0.237 3.884 4.120 0.002 0.000 0.247 381 V C 2.608 178.816 176.094 0.190 0.000 1.051 381 V CA 1.771 64.226 62.300 0.257 0.000 1.036 381 V CB -0.859 31.183 31.823 0.366 0.000 0.654 381 V HN 0.178 nan 8.190 nan 0.000 0.451 382 A N -0.066 122.863 122.820 0.182 0.000 1.877 382 A HA -0.165 4.156 4.320 0.002 0.000 0.216 382 A C 2.409 179.960 177.584 -0.056 0.000 1.186 382 A CA 2.134 54.254 52.037 0.137 0.000 0.620 382 A CB -0.756 18.382 19.000 0.229 0.000 0.822 382 A HN 0.332 nan 8.150 nan 0.000 0.443 383 V N -0.820 119.018 119.914 -0.127 0.000 2.343 383 V HA -0.321 3.800 4.120 0.002 0.000 0.247 383 V C 2.600 178.537 176.094 -0.261 0.000 1.051 383 V CA 2.071 64.256 62.300 -0.192 0.000 1.036 383 V CB -1.006 30.714 31.823 -0.172 0.000 0.654 383 V HN 0.717 nan 8.190 nan 0.000 0.451 384 C N -0.695 118.392 119.300 -0.355 0.000 2.446 384 C HA -0.050 4.411 4.460 0.002 0.000 0.279 384 C C 2.630 177.114 174.990 -0.844 0.000 1.366 384 C CA 0.741 59.297 59.018 -0.770 0.000 1.763 384 C CB -0.952 26.072 27.740 -1.194 0.000 1.929 384 C HN 0.525 nan 8.230 nan 0.000 0.509 385 M N 0.028 119.411 119.600 -0.362 0.000 2.595 385 M HA 0.018 4.499 4.480 0.002 0.000 0.248 385 M C 0.444 176.695 176.300 -0.081 0.000 1.119 385 M CA 0.900 56.161 55.300 -0.065 0.000 1.079 385 M CB -0.163 32.533 32.600 0.160 0.000 1.472 385 M HN 0.223 nan 8.290 nan 0.000 0.501 386 D N 1.534 121.844 120.400 -0.151 0.000 2.737 386 D HA -0.142 4.499 4.640 0.002 0.000 0.243 386 D C -1.092 175.167 176.300 -0.070 0.000 1.109 386 D CA 0.487 54.415 54.000 -0.121 0.000 0.702 386 D CB -1.064 39.673 40.800 -0.105 0.000 1.068 386 D HN 0.267 nan 8.370 nan 0.000 0.432 387 L N -0.178 121.003 121.223 -0.070 0.000 2.365 387 L HA 0.434 4.775 4.340 0.002 0.000 0.267 387 L C 0.947 177.746 176.870 -0.119 0.000 1.033 387 L CA -0.979 53.842 54.840 -0.031 0.000 0.802 387 L CB 0.838 42.942 42.059 0.076 0.000 1.267 387 L HN -0.061 nan 8.230 nan 0.000 0.457 388 D N 0.458 120.817 120.400 -0.068 0.000 2.470 388 D HA 0.025 4.666 4.640 0.002 0.000 0.226 388 D C 1.063 177.192 176.300 -0.285 0.000 1.196 388 D CA -0.099 53.832 54.000 -0.114 0.000 0.979 388 D CB 0.742 41.538 40.800 -0.008 0.000 1.059 388 D HN 0.608 nan 8.370 nan 0.000 0.515 389 T N 0.398 114.593 114.554 -0.597 0.000 3.148 389 T HA 0.028 4.379 4.350 0.002 0.000 0.253 389 T C 1.659 176.099 174.700 -0.434 0.000 1.134 389 T CA 0.176 61.571 62.100 -1.174 0.000 1.051 389 T CB 0.067 68.175 68.868 -1.267 0.000 0.959 389 T HN 0.235 nan 8.240 nan 0.000 0.525 390 R N 0.626 121.005 120.500 -0.201 0.000 2.115 390 R HA 0.081 4.422 4.340 0.002 0.000 0.230 390 R C 1.093 177.420 176.300 0.045 0.000 1.111 390 R CA 1.093 57.157 56.100 -0.061 0.000 0.976 390 R CB -0.157 30.113 30.300 -0.049 0.000 0.870 390 R HN 0.392 nan 8.270 nan 0.000 0.445 391 T N -1.616 113.005 114.554 0.111 0.000 2.903 391 T HA 0.135 4.486 4.350 0.002 0.000 0.299 391 T C 1.097 175.975 174.700 0.296 0.000 1.093 391 T CA -0.531 61.669 62.100 0.167 0.000 1.002 391 T CB 1.900 70.829 68.868 0.102 0.000 1.127 391 T HN 0.218 nan 8.240 nan 0.000 0.488 392 T N 0.462 115.141 114.554 0.208 0.000 2.821 392 T HA -0.084 4.267 4.350 0.002 0.000 0.267 392 T C 2.139 176.887 174.700 0.080 0.000 1.046 392 T CA 1.633 63.810 62.100 0.128 0.000 1.139 392 T CB -0.763 68.131 68.868 0.045 0.000 0.871 392 T HN 0.681 nan 8.240 nan 0.000 0.454 393 S N 2.394 118.143 115.700 0.083 0.000 2.500 393 S HA -0.109 4.362 4.470 0.002 0.000 0.239 393 S C 2.131 176.777 174.600 0.077 0.000 0.989 393 S CA 1.022 59.257 58.200 0.059 0.000 0.951 393 S CB -0.997 62.232 63.200 0.049 0.000 0.759 393 S HN 0.781 nan 8.310 nan 0.000 0.523 394 S N 1.680 117.460 115.700 0.135 0.000 2.607 394 S HA 0.214 4.686 4.470 0.002 0.000 0.224 394 S C 0.947 175.633 174.600 0.143 0.000 0.969 394 S CA 0.216 58.504 58.200 0.147 0.000 0.927 394 S CB -1.032 62.286 63.200 0.197 0.000 0.772 394 S HN 0.628 nan 8.310 nan 0.000 0.533 395 L N 0.713 121.988 121.223 0.087 0.000 3.737 395 L HA -0.189 4.152 4.340 0.002 0.000 0.418 395 L C 1.703 178.595 176.870 0.036 0.000 1.216 395 L CA 0.739 55.578 54.840 -0.001 0.000 0.915 395 L CB -2.476 39.588 42.059 0.008 0.000 1.834 395 L HN 0.743 nan 8.230 nan 0.000 0.943 396 W N -0.005 121.307 121.300 0.020 0.000 2.363 396 W HA -0.154 4.506 4.660 0.001 0.000 0.296 396 W C 1.754 178.293 176.519 0.032 0.000 1.212 396 W CA 1.327 58.687 57.345 0.025 0.000 1.260 396 W CB -0.696 28.776 29.460 0.020 0.000 1.131 396 W HN 0.273 nan 8.180 nan 0.000 0.530 397 K N 1.065 121.080 120.400 -0.642 0.000 2.026 397 K HA -0.165 4.156 4.320 0.002 0.000 0.208 397 K C 1.532 178.003 176.600 -0.215 0.000 1.048 397 K CA 2.380 58.305 56.287 -0.603 0.000 0.929 397 K CB -0.359 31.630 32.500 -0.851 0.000 0.713 397 K HN 0.045 nan 8.250 nan 0.000 0.439 398 D N 0.559 120.856 120.400 -0.171 0.000 2.144 398 D HA -0.117 4.524 4.640 0.002 0.000 0.199 398 D C 1.628 177.921 176.300 -0.010 0.000 0.984 398 D CA 1.134 55.086 54.000 -0.081 0.000 0.834 398 D CB 0.058 40.818 40.800 -0.066 0.000 0.955 398 D HN 0.129 nan 8.370 nan 0.000 0.465 399 K N 0.537 120.956 120.400 0.031 0.000 2.001 399 K HA 0.009 4.330 4.320 0.002 0.000 0.208 399 K C 2.253 178.918 176.600 0.109 0.000 1.048 399 K CA 1.124 57.460 56.287 0.081 0.000 0.932 399 K CB -0.193 32.377 32.500 0.117 0.000 0.715 399 K HN 0.085 nan 8.250 nan 0.000 0.437 400 A N 1.591 124.501 122.820 0.150 0.000 1.933 400 A HA -0.144 4.178 4.320 0.002 0.000 0.218 400 A C 2.366 180.034 177.584 0.140 0.000 1.175 400 A CA 1.901 54.053 52.037 0.193 0.000 0.628 400 A CB -0.715 18.443 19.000 0.263 0.000 0.814 400 A HN 0.357 nan 8.150 nan 0.000 0.444 401 A N -0.504 122.358 122.820 0.070 0.000 1.883 401 A HA -0.051 4.270 4.320 0.002 0.000 0.217 401 A C 2.233 179.831 177.584 0.024 0.000 1.186 401 A CA 1.903 53.955 52.037 0.026 0.000 0.624 401 A CB -1.020 17.959 19.000 -0.035 0.000 0.822 401 A HN 0.424 nan 8.150 nan 0.000 0.444 402 V N 0.371 120.305 119.914 0.033 0.000 2.343 402 V HA -0.216 3.905 4.120 0.002 0.000 0.247 402 V C 2.528 178.653 176.094 0.053 0.000 1.051 402 V CA 2.146 64.470 62.300 0.041 0.000 1.036 402 V CB -0.726 31.129 31.823 0.053 0.000 0.654 402 V HN 0.523 nan 8.190 nan 0.000 0.451 403 E N -0.108 120.143 120.200 0.085 0.000 2.150 403 E HA -0.103 4.248 4.350 0.002 0.000 0.193 403 E C 2.119 178.736 176.600 0.028 0.000 0.985 403 E CA 1.105 57.572 56.400 0.112 0.000 0.814 403 E CB -0.224 29.538 29.700 0.103 0.000 0.752 403 E HN 0.596 nan 8.360 nan 0.000 0.466 404 I N 1.134 121.739 120.570 0.059 0.000 2.252 404 I HA -0.255 3.916 4.170 0.002 0.000 0.245 404 I C 1.696 177.784 176.117 -0.049 0.000 1.102 404 I CA 0.986 62.315 61.300 0.049 0.000 1.385 404 I CB -0.309 37.786 38.000 0.160 0.000 1.064 404 I HN 0.024 nan 8.210 nan 0.000 0.414 405 N N 0.741 119.415 118.700 -0.044 0.000 2.244 405 N HA -0.171 4.570 4.740 0.002 0.000 0.183 405 N C 1.687 177.153 175.510 -0.074 0.000 1.016 405 N CA 0.845 53.854 53.050 -0.069 0.000 0.866 405 N CB -0.167 38.294 38.487 -0.042 0.000 0.980 405 N HN 0.166 nan 8.380 nan 0.000 0.430 406 L N 0.525 121.699 121.223 -0.082 0.000 2.093 406 L HA 0.025 4.366 4.340 0.002 0.000 0.208 406 L C 1.995 178.726 176.870 -0.232 0.000 1.085 406 L CA 1.254 56.010 54.840 -0.139 0.000 0.755 406 L CB -0.693 41.272 42.059 -0.157 0.000 0.904 406 L HN 0.147 nan 8.230 nan 0.000 0.435 407 A N -1.207 121.423 122.820 -0.317 0.000 1.902 407 A HA -0.145 4.176 4.320 0.002 0.000 0.217 407 A C 2.248 179.763 177.584 -0.116 0.000 1.181 407 A CA 1.940 53.751 52.037 -0.377 0.000 0.623 407 A CB -1.067 17.451 19.000 -0.803 0.000 0.818 407 A HN 0.281 nan 8.150 nan 0.000 0.443 408 V N 0.132 119.997 119.914 -0.081 0.000 2.255 408 V HA -0.284 3.837 4.120 0.002 0.000 0.247 408 V C 2.592 178.710 176.094 0.041 0.000 1.051 408 V CA 2.096 64.394 62.300 -0.003 0.000 1.018 408 V CB -0.833 30.905 31.823 -0.142 0.000 0.641 408 V HN 0.576 nan 8.190 nan 0.000 0.445 409 L N -0.577 120.627 121.223 -0.031 0.000 2.042 409 L HA -0.239 4.102 4.340 0.002 0.000 0.210 409 L C 2.618 179.519 176.870 0.052 0.000 1.076 409 L CA 2.183 57.022 54.840 -0.001 0.000 0.749 409 L CB -0.833 41.214 42.059 -0.022 0.000 0.893 409 L HN 0.495 nan 8.230 nan 0.000 0.432 410 H N -0.193 118.833 119.070 -0.073 0.000 2.290 410 H HA -0.153 4.404 4.556 0.002 0.000 0.298 410 H C 2.374 177.687 175.328 -0.025 0.000 1.087 410 H CA 2.048 58.043 56.048 -0.089 0.000 1.291 410 H CB -0.137 29.506 29.762 -0.199 0.000 1.369 410 H HN 0.135 nan 8.280 nan 0.000 0.492 411 S N -0.348 115.275 115.700 -0.129 0.000 2.359 411 S HA -0.166 4.305 4.470 0.002 0.000 0.224 411 S C 2.092 176.643 174.600 -0.083 0.000 1.035 411 S CA 1.500 59.617 58.200 -0.139 0.000 1.018 411 S CB -0.626 62.598 63.200 0.040 0.000 0.876 411 S HN 0.396 nan 8.310 nan 0.000 0.448 412 F N 1.754 121.638 119.950 -0.110 0.000 2.186 412 F HA -0.118 4.410 4.527 0.002 0.000 0.299 412 F C 2.755 178.501 175.800 -0.090 0.000 1.090 412 F CA 1.080 59.041 58.000 -0.065 0.000 1.307 412 F CB -0.263 38.725 39.000 -0.020 0.000 1.019 412 F HN 0.214 nan 8.300 nan 0.000 0.489 413 Q N -0.536 119.296 119.800 0.053 0.000 2.167 413 Q HA -0.177 4.164 4.340 0.002 0.000 0.202 413 Q C 2.063 178.005 176.000 -0.097 0.000 0.970 413 Q CA 0.977 56.767 55.803 -0.023 0.000 0.855 413 Q CB -0.241 28.482 28.738 -0.026 0.000 0.911 413 Q HN 0.345 nan 8.270 nan 0.000 0.438 414 L N 0.021 121.129 121.223 -0.192 0.000 2.156 414 L HA 0.020 4.361 4.340 0.002 0.000 0.208 414 L C 1.721 178.499 176.870 -0.154 0.000 1.095 414 L CA 1.403 56.113 54.840 -0.217 0.000 0.770 414 L CB -0.278 41.554 42.059 -0.379 0.000 0.914 414 L HN 0.081 nan 8.230 nan 0.000 0.439 415 A N -1.483 121.240 122.820 -0.161 0.000 2.337 415 A HA 0.116 4.437 4.320 0.002 0.000 0.227 415 A C 0.562 178.076 177.584 -0.117 0.000 1.259 415 A CA -0.197 51.749 52.037 -0.151 0.000 0.870 415 A CB -0.335 18.534 19.000 -0.219 0.000 0.927 415 A HN 0.281 nan 8.150 nan 0.000 0.497 416 K N -0.766 119.580 120.400 -0.089 0.000 3.148 416 K HA -0.132 4.189 4.320 0.002 0.000 0.267 416 K C -0.644 175.925 176.600 -0.052 0.000 0.996 416 K CA 0.728 56.977 56.287 -0.063 0.000 0.737 416 K CB -2.532 29.933 32.500 -0.059 0.000 1.308 416 K HN 0.304 nan 8.250 nan 0.000 0.470 417 V N 0.905 120.800 119.914 -0.032 0.000 2.540 417 V HA 0.193 4.314 4.120 0.002 0.000 0.302 417 V C 0.702 176.885 176.094 0.147 0.000 1.035 417 V CA -0.784 61.532 62.300 0.026 0.000 0.873 417 V CB 2.139 33.911 31.823 -0.086 0.000 0.992 417 V HN 0.307 nan 8.190 nan 0.000 0.428 418 T N 6.213 120.817 114.554 0.084 0.000 2.905 418 T HA 0.396 4.747 4.350 0.002 0.000 0.299 418 T C -0.268 174.498 174.700 0.110 0.000 1.024 418 T CA 1.000 63.078 62.100 -0.037 0.000 1.151 418 T CB -0.039 68.686 68.868 -0.238 0.000 0.987 418 T HN 0.554 nan 8.240 nan 0.000 0.535 419 I N 2.601 123.165 120.570 -0.011 0.000 2.882 419 I HA 0.606 4.777 4.170 0.002 0.000 0.298 419 I C -1.624 174.502 176.117 0.015 0.000 1.462 419 I CA -0.869 60.460 61.300 0.048 0.000 1.000 419 I CB 1.910 39.883 38.000 -0.045 0.000 1.340 419 I HN 0.440 nan 8.210 nan 0.000 0.462 420 V N 5.100 125.079 119.914 0.109 0.000 2.709 420 V HA 0.524 4.645 4.120 0.002 0.000 0.308 420 V C -1.274 174.862 176.094 0.071 0.000 1.062 420 V CA -0.278 62.089 62.300 0.111 0.000 0.901 420 V CB 2.180 34.155 31.823 0.252 0.000 1.003 420 V HN 0.871 nan 8.190 nan 0.000 0.425 421 D N 4.012 124.429 120.400 0.028 0.000 2.354 421 D HA 0.204 4.845 4.640 0.002 0.000 0.247 421 D C 1.283 177.562 176.300 -0.035 0.000 1.138 421 D CA 0.127 54.120 54.000 -0.011 0.000 0.958 421 D CB 0.492 41.246 40.800 -0.077 0.000 1.144 421 D HN 0.729 nan 8.370 nan 0.000 0.458 422 H N -0.039 118.955 119.070 -0.128 0.000 2.456 422 H HA -0.146 4.411 4.556 0.002 0.000 0.296 422 H C 0.948 176.176 175.328 -0.167 0.000 1.079 422 H CA 1.298 57.240 56.048 -0.177 0.000 1.322 422 H CB -0.545 29.053 29.762 -0.273 0.000 1.388 422 H HN 0.513 nan 8.280 nan 0.000 0.538 423 H N 1.247 120.126 119.070 -0.317 0.000 2.307 423 H HA 0.139 4.696 4.556 0.002 0.000 0.303 423 H C 2.567 177.873 175.328 -0.037 0.000 1.073 423 H CA 1.383 57.338 56.048 -0.156 0.000 1.338 423 H CB -0.395 29.239 29.762 -0.213 0.000 1.389 423 H HN 0.497 nan 8.280 nan 0.000 0.503 424 A N 1.414 124.284 122.820 0.083 0.000 1.902 424 A HA -0.115 4.206 4.320 0.002 0.000 0.217 424 A C 2.697 180.349 177.584 0.113 0.000 1.181 424 A CA 1.893 53.982 52.037 0.087 0.000 0.623 424 A CB -0.870 18.170 19.000 0.067 0.000 0.818 424 A HN 0.440 nan 8.150 nan 0.000 0.443 425 A N -0.217 122.669 122.820 0.110 0.000 1.877 425 A HA -0.131 4.190 4.320 0.002 0.000 0.216 425 A C 2.448 180.132 177.584 0.166 0.000 1.186 425 A CA 2.653 54.776 52.037 0.143 0.000 0.620 425 A CB -1.445 17.628 19.000 0.121 0.000 0.822 425 A HN 0.785 nan 8.150 nan 0.000 0.443 426 T N -2.716 111.923 114.554 0.142 0.000 2.904 426 T HA -0.053 4.298 4.350 0.002 0.000 0.267 426 T C 1.673 176.508 174.700 0.225 0.000 1.059 426 T CA 1.290 63.504 62.100 0.190 0.000 1.137 426 T CB -0.644 68.307 68.868 0.138 0.000 0.879 426 T HN 0.060 nan 8.240 nan 0.000 0.467 427 V N 1.815 121.833 119.914 0.173 0.000 2.295 427 V HA -0.161 3.960 4.120 0.002 0.000 0.246 427 V C 3.056 179.238 176.094 0.146 0.000 1.049 427 V CA 2.082 64.470 62.300 0.146 0.000 1.024 427 V CB -0.953 30.936 31.823 0.111 0.000 0.648 427 V HN 0.512 nan 8.190 nan 0.000 0.447 428 S N -0.462 115.334 115.700 0.161 0.000 2.382 428 S HA -0.167 4.304 4.470 0.002 0.000 0.228 428 S C 1.775 176.489 174.600 0.190 0.000 1.027 428 S CA 1.600 59.895 58.200 0.158 0.000 0.991 428 S CB -0.431 62.870 63.200 0.168 0.000 0.823 428 S HN 0.582 nan 8.310 nan 0.000 0.469 429 F N 2.212 122.223 119.950 0.102 0.000 2.171 429 F HA -0.062 4.466 4.527 0.002 0.000 0.300 429 F C 2.071 177.959 175.800 0.147 0.000 1.090 429 F CA 1.117 59.190 58.000 0.120 0.000 1.293 429 F CB -0.307 38.745 39.000 0.087 0.000 1.013 429 F HN 0.094 nan 8.300 nan 0.000 0.486 430 M N 0.084 119.740 119.600 0.093 0.000 2.108 430 M HA -0.195 4.286 4.480 0.002 0.000 0.261 430 M C 2.218 178.489 176.300 -0.049 0.000 1.066 430 M CA 1.557 56.867 55.300 0.016 0.000 1.107 430 M CB -1.266 31.395 32.600 0.101 0.000 1.356 430 M HN 0.063 nan 8.290 nan 0.000 0.406 431 K N -0.266 120.135 120.400 0.002 0.000 2.057 431 K HA -0.207 4.115 4.320 0.002 0.000 0.207 431 K C 1.981 178.558 176.600 -0.037 0.000 1.049 431 K CA 1.828 58.114 56.287 -0.002 0.000 0.931 431 K CB -0.708 31.815 32.500 0.038 0.000 0.714 431 K HN 0.398 nan 8.250 nan 0.000 0.440 432 H N 0.046 119.023 119.070 -0.155 0.000 2.352 432 H HA -0.032 4.525 4.556 0.002 0.000 0.299 432 H C 1.741 176.913 175.328 -0.260 0.000 1.097 432 H CA 2.260 58.193 56.048 -0.191 0.000 1.311 432 H CB -0.223 29.389 29.762 -0.249 0.000 1.377 432 H HN 0.179 nan 8.280 nan 0.000 0.504 433 L N -0.185 120.761 121.223 -0.462 0.000 2.042 433 L HA -0.187 4.154 4.340 0.002 0.000 0.210 433 L C 2.366 179.078 176.870 -0.263 0.000 1.076 433 L CA 1.693 56.284 54.840 -0.414 0.000 0.749 433 L CB -0.501 41.369 42.059 -0.314 0.000 0.893 433 L HN 0.389 nan 8.230 nan 0.000 0.432 434 D N 0.132 120.424 120.400 -0.181 0.000 2.084 434 D HA -0.196 4.445 4.640 0.002 0.000 0.194 434 D C 1.907 178.134 176.300 -0.121 0.000 0.990 434 D CA 1.368 55.300 54.000 -0.112 0.000 0.826 434 D CB -0.048 40.713 40.800 -0.066 0.000 0.971 434 D HN 0.148 nan 8.370 nan 0.000 0.453 435 N N 0.565 119.184 118.700 -0.135 0.000 2.104 435 N HA -0.142 4.599 4.740 0.002 0.000 0.190 435 N C 1.659 177.086 175.510 -0.138 0.000 1.024 435 N CA 0.909 53.897 53.050 -0.103 0.000 0.853 435 N CB -0.289 38.165 38.487 -0.055 0.000 1.008 435 N HN 0.369 nan 8.380 nan 0.000 0.424 436 E N 0.663 120.698 120.200 -0.275 0.000 2.107 436 E HA -0.145 4.206 4.350 0.002 0.000 0.191 436 E C 1.915 178.423 176.600 -0.154 0.000 0.982 436 E CA 0.524 56.769 56.400 -0.259 0.000 0.809 436 E CB -0.158 29.279 29.700 -0.438 0.000 0.756 436 E HN 0.329 nan 8.360 nan 0.000 0.459 437 Q N 1.533 121.250 119.800 -0.138 0.000 2.096 437 Q HA -0.142 4.199 4.340 0.002 0.000 0.204 437 Q C 1.739 177.702 176.000 -0.061 0.000 0.982 437 Q CA 1.761 57.514 55.803 -0.083 0.000 0.850 437 Q CB 0.026 28.722 28.738 -0.070 0.000 0.901 437 Q HN 0.139 nan 8.270 nan 0.000 0.422 438 K N -0.954 119.410 120.400 -0.060 0.000 2.116 438 K HA 0.075 4.397 4.320 0.002 0.000 0.203 438 K C 1.996 178.574 176.600 -0.036 0.000 1.052 438 K CA 0.856 57.119 56.287 -0.041 0.000 0.952 438 K CB -0.070 32.409 32.500 -0.034 0.000 0.729 438 K HN 0.226 nan 8.250 nan 0.000 0.446 439 A N 1.425 124.221 122.820 -0.040 0.000 1.874 439 A HA -0.039 4.282 4.320 0.002 0.000 0.214 439 A C 1.822 179.388 177.584 -0.030 0.000 1.189 439 A CA 1.070 53.094 52.037 -0.021 0.000 0.615 439 A CB -0.010 18.991 19.000 0.001 0.000 0.830 439 A HN 0.133 nan 8.150 nan 0.000 0.443 440 R N -2.286 118.184 120.500 -0.050 0.000 2.509 440 R HA 0.269 4.610 4.340 0.002 0.000 0.297 440 R C 0.829 177.098 176.300 -0.051 0.000 0.951 440 R CA 0.502 56.574 56.100 -0.047 0.000 1.103 440 R CB 0.671 30.939 30.300 -0.054 0.000 1.283 440 R HN 0.677 nan 8.270 nan 0.000 0.534 441 G N 0.789 109.557 108.800 -0.054 0.000 2.147 441 G HA2 -0.205 3.756 3.960 0.002 0.000 0.244 441 G HA3 -0.205 3.756 3.960 0.002 0.000 0.244 441 G C 0.203 175.078 174.900 -0.041 0.000 1.005 441 G CA 0.081 45.146 45.100 -0.058 0.000 0.713 441 G HN 0.709 nan 8.290 nan 0.000 0.515 442 G N -2.472 106.314 108.800 -0.024 0.000 2.320 442 G HA2 0.551 4.512 3.960 0.002 0.000 0.297 442 G HA3 0.551 4.512 3.960 0.002 0.000 0.297 442 G C -0.906 174.009 174.900 0.024 0.000 1.344 442 G CA 0.357 45.475 45.100 0.030 0.000 0.851 442 G HN 1.904 nan 8.290 nan 0.000 0.567 443 C N 2.064 121.406 119.300 0.071 0.000 2.833 443 C HA 0.688 5.149 4.460 0.002 0.000 0.383 443 C C -2.569 172.390 174.990 -0.051 0.000 1.058 443 C CA -1.125 57.884 59.018 -0.017 0.000 1.259 443 C CB 1.171 28.848 27.740 -0.106 0.000 1.726 443 C HN 0.710 nan 8.230 nan 0.000 0.484 444 P HA 0.419 nan 4.420 nan 0.000 0.271 444 P C -0.629 176.558 177.300 -0.188 0.000 1.220 444 P CA 0.575 63.282 63.100 -0.655 0.000 0.768 444 P CB 1.150 32.181 31.700 -1.115 0.000 0.848 445 A N 2.539 125.318 122.820 -0.067 0.000 2.520 445 A HA 0.445 4.766 4.320 0.002 0.000 0.298 445 A C -1.210 176.424 177.584 0.083 0.000 1.051 445 A CA -0.538 51.551 52.037 0.088 0.000 0.690 445 A CB 1.401 20.572 19.000 0.283 0.000 1.281 445 A HN 0.442 nan 8.150 nan 0.000 0.402 446 D N 1.680 122.121 120.400 0.069 0.000 2.473 446 D HA 0.172 4.813 4.640 0.002 0.000 0.226 446 D C 0.800 177.230 176.300 0.216 0.000 1.089 446 D CA -0.530 53.543 54.000 0.121 0.000 0.883 446 D CB 0.341 41.149 40.800 0.013 0.000 1.029 446 D HN 0.573 nan 8.370 nan 0.000 0.517 447 W N 4.292 125.635 121.300 0.071 0.000 2.290 447 W HA -0.350 4.311 4.660 0.002 0.000 0.323 447 W C 1.973 178.530 176.519 0.064 0.000 1.260 447 W CA 2.740 60.114 57.345 0.049 0.000 1.266 447 W CB -0.079 29.385 29.460 0.007 0.000 1.149 447 W HN 0.553 nan 8.180 nan 0.000 0.482 448 A N -1.213 121.875 122.820 0.446 0.000 1.978 448 A HA -0.224 4.097 4.320 0.002 0.000 0.220 448 A C 1.552 179.198 177.584 0.104 0.000 1.170 448 A CA 1.806 54.026 52.037 0.305 0.000 0.636 448 A CB -1.352 17.868 19.000 0.366 0.000 0.810 448 A HN 0.542 nan 8.150 nan 0.000 0.448 449 W N -0.681 120.588 121.300 -0.052 0.000 2.576 449 W HA 0.148 4.809 4.660 0.002 0.000 0.275 449 W C 1.973 178.375 176.519 -0.194 0.000 1.241 449 W CA 0.038 57.327 57.345 -0.092 0.000 1.328 449 W CB -0.223 29.209 29.460 -0.046 0.000 1.092 449 W HN 0.140 nan 8.180 nan 0.000 0.586 450 I N -0.004 120.529 120.570 -0.061 0.000 2.252 450 I HA -0.112 4.059 4.170 0.002 0.000 0.245 450 I C 0.720 176.640 176.117 -0.330 0.000 1.102 450 I CA 0.865 61.995 61.300 -0.284 0.000 1.385 450 I CB -1.637 36.125 38.000 -0.396 0.000 1.064 450 I HN -0.398 nan 8.210 nan 0.000 0.414 451 V N 3.758 123.390 119.914 -0.470 0.000 2.521 451 V HA 0.064 4.185 4.120 0.002 0.000 0.286 451 V C -1.891 174.020 176.094 -0.305 0.000 1.034 451 V CA -1.032 60.978 62.300 -0.482 0.000 1.045 451 V CB 0.070 31.352 31.823 -0.901 0.000 0.974 451 V HN 0.136 nan 8.190 nan 0.000 0.480 452 P HA 0.093 nan 4.420 nan 0.000 0.268 452 P C -1.772 175.390 177.300 -0.230 0.000 1.208 452 P CA -1.025 61.941 63.100 -0.223 0.000 0.777 452 P CB 0.025 31.588 31.700 -0.228 0.000 0.875 453 P HA -0.018 nan 4.420 nan 0.000 0.234 453 P C 0.151 177.335 177.300 -0.193 0.000 1.167 453 P CA 1.142 64.118 63.100 -0.208 0.000 0.763 453 P CB -0.028 31.543 31.700 -0.215 0.000 0.835 454 I N -7.190 113.231 120.570 -0.248 0.000 2.994 454 I HA 0.450 4.621 4.170 0.002 0.000 0.306 454 I C -0.191 175.811 176.117 -0.191 0.000 1.195 454 I CA -1.248 59.926 61.300 -0.210 0.000 1.001 454 I CB 1.938 39.796 38.000 -0.237 0.000 1.244 454 I HN -0.414 nan 8.210 nan 0.000 0.437 455 S N 2.028 117.671 115.700 -0.094 0.000 3.581 455 S HA -0.193 4.278 4.470 0.002 0.000 0.354 455 S C 1.335 175.910 174.600 -0.040 0.000 1.059 455 S CA 0.831 59.017 58.200 -0.022 0.000 1.060 455 S CB -1.722 61.539 63.200 0.102 0.000 0.908 455 S HN 1.292 nan 8.310 nan 0.000 0.475 456 G N 2.390 111.141 108.800 -0.081 0.000 2.631 456 G HA2 -0.325 3.636 3.960 0.002 0.000 0.219 456 G HA3 -0.325 3.636 3.960 0.002 0.000 0.219 456 G C 1.472 176.261 174.900 -0.185 0.000 1.214 456 G CA 1.563 46.632 45.100 -0.051 0.000 0.785 456 G HN 1.288 nan 8.290 nan 0.000 0.596 457 S N -0.073 115.242 115.700 -0.641 0.000 2.555 457 S HA 0.110 4.581 4.470 0.002 0.000 0.230 457 S C 1.952 176.451 174.600 -0.168 0.000 0.978 457 S CA 0.671 58.306 58.200 -0.943 0.000 0.934 457 S CB -0.049 62.438 63.200 -1.188 0.000 0.766 457 S HN 0.062 nan 8.310 nan 0.000 0.533 458 L N 2.480 123.679 121.223 -0.041 0.000 2.552 458 L HA 0.237 4.578 4.340 0.002 0.000 0.227 458 L C 1.301 178.297 176.870 0.210 0.000 1.146 458 L CA 0.682 55.590 54.840 0.113 0.000 0.858 458 L CB -1.039 41.118 42.059 0.164 0.000 0.969 458 L HN 0.608 nan 8.230 nan 0.000 0.451 459 T N -4.822 109.845 114.554 0.189 0.000 2.918 459 T HA 0.388 4.739 4.350 0.002 0.000 0.286 459 T C -1.700 173.168 174.700 0.281 0.000 1.026 459 T CA -1.895 60.344 62.100 0.231 0.000 1.031 459 T CB 1.981 70.945 68.868 0.161 0.000 1.046 459 T HN -0.181 nan 8.240 nan 0.000 0.479 460 P HA -0.122 nan 4.420 nan 0.000 0.216 460 P C 1.844 179.346 177.300 0.338 0.000 1.150 460 P CA 1.345 64.636 63.100 0.318 0.000 0.837 460 P CB -0.353 31.483 31.700 0.228 0.000 0.786 461 V N -3.310 116.758 119.914 0.256 0.000 2.490 461 V HA -0.211 3.910 4.120 0.002 0.000 0.250 461 V C 2.458 178.672 176.094 0.200 0.000 1.061 461 V CA 1.387 63.817 62.300 0.217 0.000 1.064 461 V CB -2.309 29.575 31.823 0.101 0.000 0.670 461 V HN -0.094 nan 8.190 nan 0.000 0.461 462 F N 1.638 121.584 119.950 -0.006 0.000 2.161 462 F HA -0.182 4.345 4.527 0.001 0.000 0.300 462 F C 2.473 178.434 175.800 0.269 0.000 1.089 462 F CA 2.249 60.262 58.000 0.021 0.000 1.282 462 F CB -0.249 38.630 39.000 -0.201 0.000 1.010 462 F HN 0.258 nan 8.300 nan 0.000 0.485 463 H N -0.822 118.633 119.070 0.642 0.000 2.539 463 H HA 0.089 4.646 4.556 0.002 0.000 0.267 463 H C 0.235 175.842 175.328 0.465 0.000 0.982 463 H CA 0.284 56.656 56.048 0.541 0.000 1.146 463 H CB -0.212 29.825 29.762 0.457 0.000 1.382 463 H HN 0.275 nan 8.280 nan 0.000 0.577 464 Q N 1.893 121.994 119.800 0.502 0.000 2.314 464 Q HA 0.163 4.505 4.340 0.002 0.000 0.259 464 Q C -0.554 175.688 176.000 0.402 0.000 0.951 464 Q CA -0.443 55.597 55.803 0.395 0.000 0.909 464 Q CB 0.870 29.801 28.738 0.322 0.000 1.236 464 Q HN 0.227 nan 8.270 nan 0.000 0.444 465 E N 3.354 123.737 120.200 0.304 0.000 2.390 465 E HA 0.289 4.640 4.350 0.002 0.000 0.261 465 E C -0.471 176.265 176.600 0.227 0.000 1.076 465 E CA 0.227 56.760 56.400 0.222 0.000 0.905 465 E CB 0.850 30.660 29.700 0.183 0.000 0.984 465 E HN 0.601 nan 8.360 nan 0.000 0.427 466 M N 1.145 120.875 119.600 0.218 0.000 2.550 466 M HA 0.374 4.855 4.480 0.002 0.000 0.292 466 M C -1.232 175.177 176.300 0.183 0.000 1.221 466 M CA -0.981 54.456 55.300 0.228 0.000 0.873 466 M CB 2.427 35.218 32.600 0.318 0.000 1.727 466 M HN 0.153 nan 8.290 nan 0.000 0.459 467 V N 1.713 121.744 119.914 0.195 0.000 2.459 467 V HA 0.511 4.632 4.120 0.002 0.000 0.295 467 V C -0.736 175.482 176.094 0.208 0.000 1.029 467 V CA -0.715 61.730 62.300 0.241 0.000 0.874 467 V CB 1.755 33.781 31.823 0.340 0.000 0.985 467 V HN 0.809 nan 8.190 nan 0.000 0.438 468 N N 3.569 122.392 118.700 0.204 0.000 2.342 468 N HA 0.679 5.420 4.740 0.002 0.000 0.293 468 N C -1.261 174.361 175.510 0.186 0.000 1.026 468 N CA -0.442 52.645 53.050 0.062 0.000 0.857 468 N CB 1.474 39.998 38.487 0.061 0.000 1.256 468 N HN 0.679 nan 8.380 nan 0.000 0.484 469 Y N 0.711 121.028 120.300 0.028 0.000 2.677 469 Y HA 0.535 5.086 4.550 0.002 0.000 0.334 469 Y C -1.266 174.635 175.900 0.002 0.000 1.196 469 Y CA -1.314 56.797 58.100 0.017 0.000 1.059 469 Y CB 0.818 39.292 38.460 0.023 0.000 1.315 469 Y HN 0.097 nan 8.280 nan 0.000 0.455 470 I N 3.899 124.573 120.570 0.174 0.000 2.304 470 I HA 0.382 4.553 4.170 0.002 0.000 0.291 470 I C -0.399 175.783 176.117 0.109 0.000 1.018 470 I CA -0.634 60.711 61.300 0.075 0.000 1.260 470 I CB 0.580 38.608 38.000 0.046 0.000 1.390 470 I HN 0.578 nan 8.210 nan 0.000 0.475 471 L N 4.393 125.647 121.223 0.052 0.000 2.322 471 L HA 0.568 4.909 4.340 0.002 0.000 0.269 471 L C 0.262 177.130 176.870 -0.003 0.000 1.012 471 L CA -0.564 54.308 54.840 0.054 0.000 0.815 471 L CB 2.127 44.215 42.059 0.047 0.000 1.295 471 L HN 0.529 nan 8.230 nan 0.000 0.438 472 S N 1.129 116.835 115.700 0.010 0.000 2.513 472 S HA 0.630 5.101 4.470 0.002 0.000 0.299 472 S C -2.563 172.045 174.600 0.014 0.000 1.087 472 S CA -1.390 56.801 58.200 -0.014 0.000 1.012 472 S CB 1.872 65.079 63.200 0.010 0.000 1.044 472 S HN 0.246 nan 8.310 nan 0.000 0.485 473 P HA 0.382 nan 4.420 nan 0.000 0.269 473 P C -1.332 175.845 177.300 -0.205 0.000 1.211 473 P CA 0.008 63.009 63.100 -0.164 0.000 0.781 473 P CB 0.421 31.980 31.700 -0.235 0.000 0.877 474 A N 1.140 123.793 122.820 -0.279 0.000 2.605 474 A HA 0.623 4.944 4.320 0.002 0.000 0.294 474 A C -1.611 175.762 177.584 -0.352 0.000 1.062 474 A CA -0.516 51.364 52.037 -0.262 0.000 0.682 474 A CB 0.649 19.571 19.000 -0.131 0.000 1.278 474 A HN 0.319 nan 8.150 nan 0.000 0.410 475 F N 1.203 121.065 119.950 -0.147 0.000 2.410 475 F HA 0.664 5.192 4.527 0.002 0.000 0.349 475 F C 1.011 176.699 175.800 -0.186 0.000 1.117 475 F CA 0.240 58.151 58.000 -0.148 0.000 1.104 475 F CB 1.646 40.519 39.000 -0.211 0.000 1.122 475 F HN 0.558 nan 8.300 nan 0.000 0.483 476 R N 1.714 122.227 120.500 0.021 0.000 2.854 476 R HA 0.464 4.805 4.340 0.002 0.000 0.271 476 R C -1.461 174.804 176.300 -0.058 0.000 0.994 476 R CA -1.185 54.867 56.100 -0.079 0.000 0.945 476 R CB 1.747 32.035 30.300 -0.020 0.000 1.194 476 R HN 0.416 nan 8.270 nan 0.000 0.476 477 Y N 1.294 121.615 120.300 0.034 0.000 2.314 477 Y HA 0.158 4.709 4.550 0.002 0.000 0.334 477 Y C 0.557 176.458 175.900 0.002 0.000 1.266 477 Y CA 0.068 58.180 58.100 0.020 0.000 1.391 477 Y CB 0.876 39.336 38.460 -0.000 0.000 1.306 477 Y HN 0.440 nan 8.280 nan 0.000 0.558 478 Q N 1.090 120.989 119.800 0.165 0.000 2.462 478 Q HA 0.600 4.941 4.340 0.002 0.000 0.285 478 Q C -3.172 172.808 176.000 -0.034 0.000 1.035 478 Q CA -2.480 53.352 55.803 0.048 0.000 0.799 478 Q CB 2.114 30.872 28.738 0.035 0.000 1.452 478 Q HN 0.259 nan 8.270 nan 0.000 0.404 479 P HA 0.037 nan 4.420 nan 0.000 0.268 479 P C -1.005 176.108 177.300 -0.312 0.000 1.208 479 P CA 0.119 63.105 63.100 -0.189 0.000 0.777 479 P CB 0.370 31.970 31.700 -0.167 0.000 0.875 480 D N 3.182 123.274 120.400 -0.514 0.000 2.351 480 D HA 0.033 4.674 4.640 0.002 0.000 0.251 480 D C -0.931 174.800 176.300 -0.948 0.000 1.137 480 D CA -1.354 52.090 54.000 -0.926 0.000 0.879 480 D CB 0.364 40.267 40.800 -1.496 0.000 1.181 480 D HN 0.281 nan 8.370 nan 0.000 0.448 481 P HA -0.129 nan 4.420 nan 0.000 0.218 481 P C 0.383 177.382 177.300 -0.501 0.000 1.146 481 P CA 1.088 63.828 63.100 -0.600 0.000 0.813 481 P CB 0.111 31.459 31.700 -0.588 0.000 0.778 482 W N 0.000 120.892 121.300 -0.680 0.000 2.388 482 W HA 0.000 4.661 4.660 0.002 0.000 0.303 482 W CA 0.000 57.125 57.345 -0.366 0.000 1.226 482 W CB 0.000 29.210 29.460 -0.417 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535