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 1q1s_1_C DATA FIRST_RESID 64 DATA SEQUENCE MADIGSNQGT VNWSVEDIVK GINSNNLESQ LQATQAARKL LSREKQPPID DATA SEQUENCE NIIRAGLIPK FVSFLGKTDC SPIQFESAWA LTNIASGTSE QTKAVVDGGA DATA SEQUENCE IPAFISLLAS PHAHISEQAV WALGNIAGDG SAFRDLVIKH GAIDPLLALL DATA SEQUENCE AVPDLSTLAC GYLRNLTWTL SNLCRNKNPA PPLDAVEQIL PTLVRLLHHN DATA SEQUENCE DPEVLADSCW AISYLTDGPN ERIEMVVKKG VVPQLVKLLG ATELPIVTPA DATA SEQUENCE LRAIGNIVTG TDEQTQKVID AGALAVFPSL LTNPKTNIQK EATWTMSNIT DATA SEQUENCE AGRQDQIQQV VNHGLVPFLV GVLSKADFKT QKEAAWAITN YTSGGTVEQI DATA SEQUENCE VYLVHCGIIE PLMNLLSAKD TKIIQVILDA ISNIFQAAEK LGETEKLSIM DATA SEQUENCE IEECGGLDKI EALQRHENES VYKASLNLIE KYFS 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 64 M HA 0.000 nan 4.480 nan 0.000 0.227 64 M C 0.000 176.412 176.300 0.187 0.000 1.140 64 M CA 0.000 55.434 55.300 0.223 0.000 0.988 64 M CB 0.000 32.743 32.600 0.239 0.000 1.302 65 A N 0.675 123.549 122.820 0.090 0.000 2.311 65 A HA 0.913 5.233 4.320 0.000 0.000 0.334 65 A C -1.207 176.560 177.584 0.304 0.000 1.139 65 A CA -0.169 51.909 52.037 0.067 0.000 0.830 65 A CB 1.439 20.449 19.000 0.016 0.000 1.234 65 A HN 0.462 nan 8.150 nan 0.000 0.483 66 D N -1.421 119.347 120.400 0.614 0.000 2.714 66 D HA 0.609 5.249 4.640 0.000 0.000 0.278 66 D C 0.640 177.134 176.300 0.325 0.000 1.102 66 D CA -0.145 54.197 54.000 0.570 0.000 1.108 66 D CB 1.113 42.412 40.800 0.832 0.000 1.444 66 D HN 0.317 nan 8.370 nan 0.000 0.568 67 I N -1.723 118.964 120.570 0.195 0.000 6.336 67 I HA 0.851 5.022 4.170 0.000 0.000 0.232 67 I C 0.935 177.056 176.117 0.008 0.000 0.812 67 I CA 0.011 61.358 61.300 0.079 0.000 2.004 67 I CB -0.835 37.196 38.000 0.051 0.000 1.381 67 I HN 0.460 nan 8.210 nan 0.000 0.477 68 G N -1.248 107.548 108.800 -0.007 0.000 2.500 68 G HA2 0.522 4.482 3.960 0.000 0.000 0.299 68 G HA3 0.522 4.482 3.960 0.000 0.000 0.299 68 G C -0.831 174.050 174.900 -0.032 0.000 1.242 68 G CA 0.169 45.242 45.100 -0.045 0.000 0.859 68 G HN 0.608 nan 8.290 nan 0.000 0.481 69 S N -0.391 115.289 115.700 -0.034 0.000 2.775 69 S HA 0.111 4.582 4.470 0.000 0.000 0.227 69 S C 0.312 174.913 174.600 0.001 0.000 0.845 69 S CA -0.474 57.718 58.200 -0.013 0.000 1.407 69 S CB 0.093 63.278 63.200 -0.025 0.000 1.259 69 S HN 0.559 nan 8.310 nan 0.000 0.612 70 N N 2.808 121.499 118.700 -0.015 0.000 2.950 70 N HA -0.011 4.729 4.740 0.000 0.000 0.329 70 N C 0.833 176.356 175.510 0.022 0.000 1.197 70 N CA 0.677 53.722 53.050 -0.007 0.000 1.168 70 N CB -0.008 38.462 38.487 -0.029 0.000 1.414 70 N HN 0.654 nan 8.380 nan 0.000 0.554 71 Q N -1.253 118.577 119.800 0.049 0.000 2.580 71 Q HA 0.152 4.493 4.340 0.000 0.000 0.239 71 Q C 1.179 177.238 176.000 0.099 0.000 0.873 71 Q CA 0.291 56.127 55.803 0.055 0.000 0.951 71 Q CB 0.356 29.122 28.738 0.047 0.000 1.172 71 Q HN 0.333 nan 8.270 nan 0.000 0.616 72 G N 1.207 110.091 108.800 0.141 0.000 4.125 72 G HA2 0.163 4.123 3.960 0.000 0.000 0.301 72 G HA3 0.163 4.123 3.960 0.000 0.000 0.301 72 G C 0.413 175.635 174.900 0.537 0.000 1.273 72 G CA 0.184 45.454 45.100 0.284 0.000 1.095 72 G HN 0.298 nan 8.290 nan 0.000 0.582 73 T N -4.180 110.515 114.554 0.234 0.000 3.253 73 T HA 0.283 4.633 4.350 0.000 0.000 0.299 73 T C -0.019 174.575 174.700 -0.176 0.000 0.927 73 T CA -0.132 61.836 62.100 -0.220 0.000 0.926 73 T CB 0.698 69.382 68.868 -0.307 0.000 1.183 73 T HN -0.057 nan 8.240 nan 0.000 0.557 74 V N 3.080 123.041 119.914 0.078 0.000 2.427 74 V HA 0.535 4.656 4.120 0.000 0.000 0.286 74 V C 0.350 176.543 176.094 0.166 0.000 1.034 74 V CA -0.377 61.958 62.300 0.058 0.000 0.893 74 V CB 0.987 32.833 31.823 0.039 0.000 0.982 74 V HN 0.668 nan 8.190 nan 0.000 0.452 75 N N 4.045 122.812 118.700 0.112 0.000 2.738 75 N HA -0.190 4.550 4.740 0.000 0.000 0.249 75 N C -0.828 174.822 175.510 0.233 0.000 1.047 75 N CA 0.473 53.600 53.050 0.130 0.000 0.707 75 N CB -0.653 37.883 38.487 0.082 0.000 0.937 75 N HN 0.589 nan 8.380 nan 0.000 0.545 76 W N 0.780 122.066 121.300 -0.024 0.000 2.161 76 W HA 0.333 4.993 4.660 0.000 0.000 0.344 76 W C 1.244 177.757 176.519 -0.011 0.000 1.262 76 W CA -0.247 57.088 57.345 -0.016 0.000 1.270 76 W CB 0.315 29.766 29.460 -0.014 0.000 1.126 76 W HN 0.234 nan 8.180 nan 0.000 0.598 77 S N 0.211 116.014 115.700 0.172 0.000 2.632 77 S HA 0.262 4.732 4.470 0.000 0.000 0.271 77 S C 0.500 175.185 174.600 0.141 0.000 1.260 77 S CA -0.808 57.453 58.200 0.101 0.000 1.010 77 S CB 1.348 64.562 63.200 0.024 0.000 0.965 77 S HN 0.292 nan 8.310 nan 0.000 0.534 78 V N 2.117 122.091 119.914 0.099 0.000 2.490 78 V HA -0.178 3.942 4.120 0.000 0.000 0.250 78 V C 2.766 178.914 176.094 0.089 0.000 1.061 78 V CA 2.239 64.598 62.300 0.099 0.000 1.064 78 V CB -1.416 30.444 31.823 0.061 0.000 0.670 78 V HN 1.045 nan 8.190 nan 0.000 0.461 79 E N -0.068 120.165 120.200 0.056 0.000 2.106 79 E HA -0.256 4.094 4.350 0.000 0.000 0.192 79 E C 1.548 178.176 176.600 0.046 0.000 0.984 79 E CA 1.593 58.014 56.400 0.035 0.000 0.806 79 E CB -0.371 29.333 29.700 0.006 0.000 0.750 79 E HN 0.506 nan 8.360 nan 0.000 0.458 80 D N 1.230 121.656 120.400 0.044 0.000 2.117 80 D HA -0.069 4.571 4.640 0.000 0.000 0.198 80 D C 2.164 178.613 176.300 0.249 0.000 0.982 80 D CA 0.917 54.919 54.000 0.004 0.000 0.828 80 D CB -0.145 40.514 40.800 -0.235 0.000 0.967 80 D HN 0.288 nan 8.370 nan 0.000 0.464 81 I N 0.551 121.363 120.570 0.403 0.000 2.226 81 I HA -0.233 3.937 4.170 0.000 0.000 0.245 81 I C 2.403 178.666 176.117 0.244 0.000 1.100 81 I CA 0.633 62.184 61.300 0.418 0.000 1.374 81 I CB -0.154 38.013 38.000 0.278 0.000 1.057 81 I HN -0.112 nan 8.210 nan 0.000 0.413 82 V N 0.600 120.603 119.914 0.148 0.000 2.407 82 V HA -0.265 3.855 4.120 0.000 0.000 0.248 82 V C 2.570 178.717 176.094 0.088 0.000 1.055 82 V CA 1.571 63.920 62.300 0.081 0.000 1.049 82 V CB -0.713 31.133 31.823 0.038 0.000 0.662 82 V HN 0.339 nan 8.190 nan 0.000 0.455 83 K N 0.782 121.238 120.400 0.094 0.000 2.009 83 K HA -0.136 4.184 4.320 0.000 0.000 0.210 83 K C 2.236 178.901 176.600 0.107 0.000 1.049 83 K CA 1.839 58.169 56.287 0.071 0.000 0.929 83 K CB -1.113 31.406 32.500 0.033 0.000 0.714 83 K HN 0.509 nan 8.250 nan 0.000 0.440 84 G N 0.935 109.848 108.800 0.188 0.000 2.402 84 G HA2 -0.193 3.767 3.960 0.000 0.000 0.216 84 G HA3 -0.193 3.767 3.960 0.000 0.000 0.216 84 G C 1.734 176.736 174.900 0.170 0.000 1.162 84 G CA 0.594 45.823 45.100 0.215 0.000 0.777 84 G HN 0.286 nan 8.290 nan 0.000 0.539 85 I N 0.573 121.254 120.570 0.184 0.000 2.493 85 I HA -0.117 4.053 4.170 0.000 0.000 0.254 85 I C 2.151 178.363 176.117 0.160 0.000 1.160 85 I CA 0.813 62.237 61.300 0.207 0.000 1.445 85 I CB -0.180 37.948 38.000 0.214 0.000 1.086 85 I HN 0.220 nan 8.210 nan 0.000 0.433 86 N N 0.193 118.954 118.700 0.103 0.000 2.467 86 N HA -0.028 4.712 4.740 0.000 0.000 0.184 86 N C 0.711 176.260 175.510 0.065 0.000 1.106 86 N CA -0.074 53.016 53.050 0.068 0.000 0.892 86 N CB 0.282 38.792 38.487 0.039 0.000 0.969 86 N HN 0.273 nan 8.380 nan 0.000 0.454 87 S N 0.227 115.973 115.700 0.076 0.000 2.589 87 S HA 0.129 4.599 4.470 0.000 0.000 0.265 87 S C 0.554 175.189 174.600 0.059 0.000 1.342 87 S CA -0.435 57.801 58.200 0.059 0.000 1.005 87 S CB 0.847 64.084 63.200 0.061 0.000 0.909 87 S HN 0.055 nan 8.310 nan 0.000 0.555 88 N N 1.250 119.977 118.700 0.044 0.000 2.322 88 N HA 0.190 4.930 4.740 0.000 0.000 0.216 88 N C -0.742 174.789 175.510 0.035 0.000 1.144 88 N CA 0.015 53.090 53.050 0.042 0.000 0.830 88 N CB -0.283 38.222 38.487 0.031 0.000 1.034 88 N HN 0.559 nan 8.380 nan 0.000 0.484 89 N N 1.081 119.801 118.700 0.034 0.000 2.476 89 N HA 0.069 4.810 4.740 0.000 0.000 0.257 89 N C 0.723 176.232 175.510 -0.002 0.000 0.970 89 N CA -0.352 52.709 53.050 0.018 0.000 0.938 89 N CB 1.136 39.637 38.487 0.022 0.000 1.144 89 N HN -0.014 nan 8.380 nan 0.000 0.500 90 L N 3.832 125.042 121.223 -0.021 0.000 2.043 90 L HA -0.099 4.241 4.340 0.000 0.000 0.212 90 L C 1.822 178.635 176.870 -0.096 0.000 1.075 90 L CA 1.907 56.702 54.840 -0.074 0.000 0.752 90 L CB -0.122 41.900 42.059 -0.061 0.000 0.891 90 L HN 0.564 nan 8.230 nan 0.000 0.432 91 E N -0.694 119.476 120.200 -0.050 0.000 2.106 91 E HA -0.115 4.235 4.350 0.000 0.000 0.192 91 E C 2.292 178.876 176.600 -0.028 0.000 0.984 91 E CA 1.291 57.666 56.400 -0.042 0.000 0.806 91 E CB -0.212 29.479 29.700 -0.016 0.000 0.750 91 E HN 0.519 nan 8.360 nan 0.000 0.458 92 S N 1.202 116.904 115.700 0.003 0.000 2.383 92 S HA -0.140 4.330 4.470 0.000 0.000 0.227 92 S C 1.919 176.540 174.600 0.035 0.000 1.026 92 S CA 0.888 59.118 58.200 0.050 0.000 0.981 92 S CB -0.079 63.162 63.200 0.070 0.000 0.818 92 S HN 0.313 nan 8.310 nan 0.000 0.472 93 Q N 0.257 120.042 119.800 -0.026 0.000 2.119 93 Q HA -0.021 4.319 4.340 0.000 0.000 0.201 93 Q C 2.230 178.126 176.000 -0.173 0.000 0.972 93 Q CA 0.892 56.654 55.803 -0.069 0.000 0.847 93 Q CB -0.308 28.323 28.738 -0.177 0.000 0.903 93 Q HN 0.377 nan 8.270 nan 0.000 0.433 94 L N 0.921 122.019 121.223 -0.208 0.000 2.046 94 L HA -0.208 4.133 4.340 0.000 0.000 0.208 94 L C 2.075 178.839 176.870 -0.177 0.000 1.077 94 L CA 1.799 56.513 54.840 -0.209 0.000 0.747 94 L CB -0.447 41.516 42.059 -0.159 0.000 0.896 94 L HN 0.107 nan 8.230 nan 0.000 0.432 95 Q N 0.103 119.821 119.800 -0.137 0.000 2.084 95 Q HA -0.106 4.234 4.340 0.000 0.000 0.202 95 Q C 2.358 178.091 176.000 -0.446 0.000 0.978 95 Q CA 1.818 57.502 55.803 -0.199 0.000 0.844 95 Q CB -0.929 27.793 28.738 -0.028 0.000 0.898 95 Q HN 0.671 nan 8.270 nan 0.000 0.426 96 A N 0.512 123.157 122.820 -0.292 0.000 1.930 96 A HA -0.131 4.190 4.320 0.000 0.000 0.217 96 A C 2.337 179.779 177.584 -0.237 0.000 1.175 96 A CA 1.898 53.741 52.037 -0.323 0.000 0.627 96 A CB -0.754 18.307 19.000 0.101 0.000 0.815 96 A HN 0.393 nan 8.150 nan 0.000 0.443 97 T N -0.537 113.944 114.554 -0.121 0.000 2.821 97 T HA -0.164 4.186 4.350 0.000 0.000 0.267 97 T C 2.061 176.575 174.700 -0.311 0.000 1.046 97 T CA 1.565 63.605 62.100 -0.101 0.000 1.139 97 T CB -0.197 68.637 68.868 -0.058 0.000 0.871 97 T HN 0.666 nan 8.240 nan 0.000 0.454 98 Q N 0.604 120.196 119.800 -0.346 0.000 2.079 98 Q HA -0.052 4.288 4.340 0.000 0.000 0.200 98 Q C 2.500 178.213 176.000 -0.478 0.000 0.974 98 Q CA 1.332 56.897 55.803 -0.397 0.000 0.840 98 Q CB -0.286 28.259 28.738 -0.321 0.000 0.898 98 Q HN 0.529 nan 8.270 nan 0.000 0.430 99 A N 0.840 123.292 122.820 -0.615 0.000 1.908 99 A HA -0.161 4.159 4.320 0.000 0.000 0.218 99 A C 2.288 179.633 177.584 -0.398 0.000 1.181 99 A CA 1.777 53.392 52.037 -0.704 0.000 0.627 99 A CB -1.050 17.090 19.000 -1.432 0.000 0.818 99 A HN 0.566 nan 8.150 nan 0.000 0.445 100 A N -0.307 122.335 122.820 -0.297 0.000 1.877 100 A HA -0.191 4.129 4.320 0.000 0.000 0.216 100 A C 2.285 179.709 177.584 -0.266 0.000 1.186 100 A CA 1.756 53.705 52.037 -0.146 0.000 0.620 100 A CB -0.570 18.460 19.000 0.050 0.000 0.822 100 A HN 0.546 nan 8.150 nan 0.000 0.443 101 R N 0.095 120.335 120.500 -0.433 0.000 2.105 101 R HA -0.168 4.172 4.340 0.000 0.000 0.239 101 R C 1.898 177.839 176.300 -0.599 0.000 1.135 101 R CA 1.965 57.696 56.100 -0.615 0.000 0.967 101 R CB -0.278 29.522 30.300 -0.833 0.000 0.861 101 R HN 0.540 nan 8.270 nan 0.000 0.442 102 K N 0.227 120.339 120.400 -0.481 0.000 2.155 102 K HA -0.043 4.277 4.320 0.000 0.000 0.203 102 K C 2.151 178.615 176.600 -0.227 0.000 1.052 102 K CA 0.984 57.051 56.287 -0.367 0.000 0.948 102 K CB -0.012 32.308 32.500 -0.300 0.000 0.728 102 K HN 0.213 nan 8.250 nan 0.000 0.448 103 L N 0.615 121.730 121.223 -0.181 0.000 2.056 103 L HA -0.142 4.199 4.340 0.000 0.000 0.207 103 L C 2.019 178.833 176.870 -0.093 0.000 1.078 103 L CA 1.049 55.833 54.840 -0.093 0.000 0.749 103 L CB -0.247 41.786 42.059 -0.044 0.000 0.901 103 L HN 0.178 nan 8.230 nan 0.000 0.433 104 L N -1.593 119.548 121.223 -0.136 0.000 2.478 104 L HA -0.058 4.283 4.340 0.000 0.000 0.223 104 L C 2.208 179.013 176.870 -0.108 0.000 1.140 104 L CA 0.413 55.188 54.840 -0.108 0.000 0.842 104 L CB -0.125 41.859 42.059 -0.126 0.000 0.953 104 L HN 0.107 nan 8.230 nan 0.000 0.452 105 S N -0.475 115.124 115.700 -0.169 0.000 2.539 105 S HA 0.109 4.579 4.470 0.000 0.000 0.221 105 S C 0.972 175.551 174.600 -0.035 0.000 0.987 105 S CA -0.686 57.456 58.200 -0.096 0.000 0.929 105 S CB 0.089 63.126 63.200 -0.272 0.000 0.832 105 S HN 0.346 nan 8.310 nan 0.000 0.492 106 R N 0.702 121.173 120.500 -0.050 0.000 2.774 106 R HA 0.276 4.617 4.340 0.000 0.000 0.269 106 R C 0.912 177.216 176.300 0.007 0.000 1.068 106 R CA -0.100 55.988 56.100 -0.020 0.000 1.180 106 R CB 0.205 30.491 30.300 -0.024 0.000 1.077 106 R HN -0.015 nan 8.270 nan 0.000 0.513 107 E N 0.498 120.706 120.200 0.013 0.000 2.110 107 E HA -0.114 4.237 4.350 0.000 0.000 0.193 107 E C -0.387 176.224 176.600 0.018 0.000 0.988 107 E CA 1.622 58.035 56.400 0.021 0.000 0.804 107 E CB 0.279 29.991 29.700 0.020 0.000 0.745 107 E HN 0.523 nan 8.360 nan 0.000 0.458 108 K N -0.133 120.275 120.400 0.013 0.000 2.464 108 K HA 0.309 4.629 4.320 0.000 0.000 0.253 108 K C -0.831 175.776 176.600 0.011 0.000 0.933 108 K CA -0.756 55.539 56.287 0.013 0.000 0.801 108 K CB 1.687 34.195 32.500 0.013 0.000 1.271 108 K HN -0.115 nan 8.250 nan 0.000 0.430 109 Q N 0.762 120.570 119.800 0.013 0.000 2.448 109 Q HA -0.142 4.199 4.340 0.000 0.000 0.356 109 Q C -2.207 173.800 176.000 0.011 0.000 1.430 109 Q CA 0.018 55.828 55.803 0.013 0.000 1.011 109 Q CB -1.471 27.274 28.738 0.012 0.000 1.203 109 Q HN 0.451 nan 8.270 nan 0.000 0.351 110 P HA 0.060 nan 4.420 nan 0.000 0.271 110 P C -2.245 175.062 177.300 0.011 0.000 1.216 110 P CA -1.155 61.948 63.100 0.004 0.000 0.771 110 P CB 0.475 32.176 31.700 0.001 0.000 0.864 111 P HA 0.135 nan 4.420 nan 0.000 0.231 111 P C 1.171 178.487 177.300 0.026 0.000 1.756 111 P CA -0.052 63.060 63.100 0.019 0.000 0.990 111 P CB -0.396 31.317 31.700 0.022 0.000 1.973 112 I N 0.188 120.774 120.570 0.026 0.000 2.179 112 I HA -0.221 3.949 4.170 0.000 0.000 0.242 112 I C 1.916 178.054 176.117 0.035 0.000 1.088 112 I CA 1.456 62.777 61.300 0.035 0.000 1.357 112 I CB -0.400 37.621 38.000 0.036 0.000 1.051 112 I HN 0.087 nan 8.210 nan 0.000 0.409 113 D N 0.792 121.209 120.400 0.028 0.000 2.144 113 D HA -0.138 4.502 4.640 0.000 0.000 0.200 113 D C 1.896 178.207 176.300 0.019 0.000 0.978 113 D CA 0.999 55.012 54.000 0.023 0.000 0.833 113 D CB -0.413 40.398 40.800 0.019 0.000 0.961 113 D HN 0.365 nan 8.370 nan 0.000 0.470 114 N N 0.928 119.640 118.700 0.021 0.000 2.120 114 N HA -0.111 4.629 4.740 0.000 0.000 0.188 114 N C 1.939 177.460 175.510 0.018 0.000 1.024 114 N CA 0.530 53.591 53.050 0.018 0.000 0.852 114 N CB -0.063 38.438 38.487 0.023 0.000 1.003 114 N HN 0.219 nan 8.380 nan 0.000 0.424 115 I N 1.637 122.225 120.570 0.031 0.000 2.226 115 I HA -0.161 4.010 4.170 0.000 0.000 0.245 115 I C 2.312 178.428 176.117 -0.001 0.000 1.100 115 I CA 0.765 62.088 61.300 0.038 0.000 1.374 115 I CB -0.906 37.151 38.000 0.095 0.000 1.057 115 I HN 0.060 nan 8.210 nan 0.000 0.413 116 I N 0.509 121.084 120.570 0.008 0.000 2.179 116 I HA -0.277 3.893 4.170 0.000 0.000 0.242 116 I C 2.760 178.860 176.117 -0.028 0.000 1.088 116 I CA 1.177 62.471 61.300 -0.011 0.000 1.357 116 I CB -0.416 37.590 38.000 0.008 0.000 1.051 116 I HN 0.172 nan 8.210 nan 0.000 0.409 117 R N 0.898 121.389 120.500 -0.015 0.000 2.105 117 R HA -0.152 4.188 4.340 0.000 0.000 0.239 117 R C 2.226 178.508 176.300 -0.031 0.000 1.135 117 R CA 1.476 57.565 56.100 -0.018 0.000 0.967 117 R CB -0.517 29.779 30.300 -0.007 0.000 0.861 117 R HN 0.365 nan 8.270 nan 0.000 0.442 118 A N 0.443 123.242 122.820 -0.036 0.000 2.248 118 A HA 0.079 4.399 4.320 0.000 0.000 0.210 118 A C 1.438 178.971 177.584 -0.084 0.000 1.174 118 A CA 0.927 52.935 52.037 -0.048 0.000 0.750 118 A CB -0.456 18.522 19.000 -0.037 0.000 0.780 118 A HN 0.501 nan 8.150 nan 0.000 0.478 119 G N -1.108 107.633 108.800 -0.098 0.000 2.198 119 G HA2 -0.273 3.688 3.960 0.000 0.000 0.260 119 G HA3 -0.273 3.688 3.960 0.000 0.000 0.260 119 G C 0.630 175.397 174.900 -0.221 0.000 1.025 119 G CA 0.525 45.548 45.100 -0.129 0.000 0.769 119 G HN 0.486 nan 8.290 nan 0.000 0.507 120 L N -0.645 120.391 121.223 -0.312 0.000 2.313 120 L HA 0.152 4.492 4.340 0.000 0.000 0.214 120 L C 2.938 179.296 176.870 -0.853 0.000 1.119 120 L CA 0.658 55.115 54.840 -0.638 0.000 0.809 120 L CB -0.330 41.260 42.059 -0.781 0.000 0.933 120 L HN 0.411 nan 8.230 nan 0.000 0.449 121 I N 0.572 120.872 120.570 -0.450 0.000 2.151 121 I HA -0.255 3.915 4.170 0.000 0.000 0.243 121 I C -0.302 175.676 176.117 -0.233 0.000 1.080 121 I CA 1.763 62.919 61.300 -0.239 0.000 1.339 121 I CB -1.302 36.649 38.000 -0.081 0.000 1.039 121 I HN 0.218 nan 8.210 nan 0.000 0.409 122 P HA -0.161 nan 4.420 nan 0.000 0.218 122 P C 1.284 178.396 177.300 -0.314 0.000 1.149 122 P CA 1.260 64.230 63.100 -0.216 0.000 0.817 122 P CB -0.014 31.581 31.700 -0.175 0.000 0.785 123 K N -1.184 118.946 120.400 -0.450 0.000 2.031 123 K HA -0.040 4.280 4.320 0.000 0.000 0.205 123 K C 1.977 178.031 176.600 -0.910 0.000 1.049 123 K CA 1.270 57.141 56.287 -0.694 0.000 0.939 123 K CB -1.346 30.778 32.500 -0.627 0.000 0.717 123 K HN 0.150 nan 8.250 nan 0.000 0.438 124 F N 1.623 121.249 119.950 -0.541 0.000 2.126 124 F HA -0.156 4.371 4.527 0.000 0.000 0.299 124 F C 2.545 178.169 175.800 -0.292 0.000 1.096 124 F CA 0.349 58.155 58.000 -0.323 0.000 1.255 124 F CB -1.418 37.513 39.000 -0.116 0.000 0.997 124 F HN -0.265 nan 8.300 nan 0.000 0.479 125 V N 0.240 120.097 119.914 -0.095 0.000 2.343 125 V HA -0.283 3.837 4.120 0.000 0.000 0.247 125 V C 2.488 178.485 176.094 -0.163 0.000 1.051 125 V CA 2.047 64.252 62.300 -0.157 0.000 1.036 125 V CB -1.146 30.585 31.823 -0.155 0.000 0.654 125 V HN 0.508 nan 8.190 nan 0.000 0.451 126 S N -0.078 115.488 115.700 -0.223 0.000 2.402 126 S HA -0.154 4.317 4.470 0.000 0.000 0.229 126 S C 1.830 176.443 174.600 0.023 0.000 1.021 126 S CA 1.266 59.380 58.200 -0.143 0.000 0.974 126 S CB -0.641 62.444 63.200 -0.193 0.000 0.800 126 S HN 0.443 nan 8.310 nan 0.000 0.484 127 F N 1.992 121.948 119.950 0.010 0.000 2.451 127 F HA 0.284 4.811 4.527 0.000 0.000 0.299 127 F C 1.939 177.729 175.800 -0.017 0.000 1.101 127 F CA -0.613 57.395 58.000 0.013 0.000 1.436 127 F CB -0.973 38.054 39.000 0.045 0.000 1.074 127 F HN 0.203 nan 8.300 nan 0.000 0.553 128 L N -0.751 120.532 121.223 0.101 0.000 2.201 128 L HA -0.088 4.252 4.340 0.000 0.000 0.212 128 L C 2.402 179.281 176.870 0.016 0.000 1.105 128 L CA 1.291 56.127 54.840 -0.007 0.000 0.775 128 L CB -1.034 40.905 42.059 -0.200 0.000 0.913 128 L HN 0.218 nan 8.230 nan 0.000 0.440 129 G N -0.517 108.302 108.800 0.032 0.000 3.042 129 G HA2 -0.028 3.932 3.960 0.000 0.000 0.212 129 G HA3 -0.028 3.932 3.960 0.000 0.000 0.212 129 G C 0.673 175.610 174.900 0.061 0.000 1.166 129 G CA -0.289 44.832 45.100 0.035 0.000 0.767 129 G HN 0.189 nan 8.290 nan 0.000 0.546 130 K N 1.551 122.003 120.400 0.087 0.000 2.187 130 K HA 0.162 4.482 4.320 0.000 0.000 0.242 130 K C 1.000 177.636 176.600 0.061 0.000 1.179 130 K CA -0.200 56.133 56.287 0.076 0.000 1.097 130 K CB 0.442 32.992 32.500 0.084 0.000 1.634 130 K HN -0.008 nan 8.250 nan 0.000 0.335 131 T N 1.076 115.666 114.554 0.060 0.000 2.822 131 T HA -0.163 4.187 4.350 0.000 0.000 0.270 131 T C 1.318 176.058 174.700 0.067 0.000 1.064 131 T CA 1.660 63.801 62.100 0.069 0.000 1.131 131 T CB -0.147 68.758 68.868 0.062 0.000 0.858 131 T HN 0.603 nan 8.240 nan 0.000 0.483 132 D N -0.166 120.263 120.400 0.049 0.000 2.347 132 D HA -0.016 4.624 4.640 0.000 0.000 0.215 132 D C 0.919 177.235 176.300 0.027 0.000 0.976 132 D CA 0.194 54.217 54.000 0.039 0.000 0.884 132 D CB -0.365 40.453 40.800 0.029 0.000 0.915 132 D HN 0.398 nan 8.370 nan 0.000 0.526 133 C N 2.213 121.524 119.300 0.019 0.000 3.495 133 C HA 0.328 4.788 4.460 0.000 0.000 0.201 133 C C 2.022 177.008 174.990 -0.006 0.000 1.408 133 C CA -0.024 58.990 59.018 -0.006 0.000 1.367 133 C CB -1.095 26.622 27.740 -0.038 0.000 1.845 133 C HN 0.319 nan 8.230 nan 0.000 0.500 134 S N 2.535 118.226 115.700 -0.014 0.000 2.392 134 S HA -0.148 4.323 4.470 0.000 0.000 0.232 134 S C -0.783 173.806 174.600 -0.018 0.000 1.041 134 S CA 2.072 60.233 58.200 -0.065 0.000 1.026 134 S CB -1.351 61.656 63.200 -0.322 0.000 0.845 134 S HN 0.617 nan 8.310 nan 0.000 0.465 135 P HA 0.025 nan 4.420 nan 0.000 0.216 135 P C 1.625 178.976 177.300 0.085 0.000 1.150 135 P CA 0.881 64.028 63.100 0.079 0.000 0.837 135 P CB -0.105 31.611 31.700 0.027 0.000 0.786 136 I N -1.117 119.448 120.570 -0.007 0.000 2.617 136 I HA -0.202 3.969 4.170 0.000 0.000 0.256 136 I C 2.066 178.194 176.117 0.019 0.000 1.167 136 I CA 1.123 62.382 61.300 -0.069 0.000 1.469 136 I CB -0.085 37.773 38.000 -0.237 0.000 1.098 136 I HN -0.054 nan 8.210 nan 0.000 0.436 137 Q N -0.140 119.699 119.800 0.065 0.000 2.046 137 Q HA -0.241 4.099 4.340 0.000 0.000 0.200 137 Q C 2.116 178.195 176.000 0.132 0.000 0.975 137 Q CA 1.898 57.759 55.803 0.097 0.000 0.836 137 Q CB -0.237 28.554 28.738 0.088 0.000 0.896 137 Q HN 0.510 nan 8.270 nan 0.000 0.428 138 F N 2.006 121.956 119.950 0.000 0.000 2.102 138 F HA -0.170 4.358 4.527 0.000 0.000 0.298 138 F C 2.057 177.922 175.800 0.109 0.000 1.105 138 F CA 1.327 59.350 58.000 0.039 0.000 1.239 138 F CB -0.013 39.020 39.000 0.054 0.000 0.991 138 F HN -0.032 nan 8.300 nan 0.000 0.474 139 E N 0.271 120.404 120.200 -0.112 0.000 2.077 139 E HA -0.178 4.172 4.350 0.000 0.000 0.193 139 E C 2.484 178.902 176.600 -0.303 0.000 0.989 139 E CA 1.603 57.837 56.400 -0.277 0.000 0.800 139 E CB -0.763 28.821 29.700 -0.193 0.000 0.746 139 E HN 0.546 nan 8.360 nan 0.000 0.452 140 S N 0.825 116.413 115.700 -0.188 0.000 2.406 140 S HA 0.018 4.489 4.470 0.000 0.000 0.228 140 S C 2.246 176.767 174.600 -0.131 0.000 1.020 140 S CA 0.943 58.997 58.200 -0.243 0.000 0.965 140 S CB -0.096 63.134 63.200 0.050 0.000 0.798 140 S HN 0.235 nan 8.310 nan 0.000 0.488 141 A N 1.317 124.133 122.820 -0.007 0.000 1.902 141 A HA -0.043 4.277 4.320 0.000 0.000 0.217 141 A C 1.927 179.570 177.584 0.098 0.000 1.181 141 A CA 1.348 53.505 52.037 0.201 0.000 0.623 141 A CB -1.242 17.916 19.000 0.263 0.000 0.818 141 A HN 0.773 nan 8.150 nan 0.000 0.443 142 W N 0.797 121.881 121.300 -0.361 0.000 2.381 142 W HA -0.043 4.617 4.660 0.000 0.000 0.301 142 W C 2.443 178.735 176.519 -0.378 0.000 1.205 142 W CA 1.418 58.480 57.345 -0.471 0.000 1.285 142 W CB -0.769 28.285 29.460 -0.675 0.000 1.133 142 W HN 0.394 nan 8.180 nan 0.000 0.521 143 A N 0.672 123.374 122.820 -0.197 0.000 1.877 143 A HA -0.198 4.122 4.320 0.000 0.000 0.216 143 A C 2.307 179.824 177.584 -0.111 0.000 1.186 143 A CA 2.003 53.850 52.037 -0.316 0.000 0.620 143 A CB -1.160 17.390 19.000 -0.749 0.000 0.822 143 A HN 0.302 nan 8.150 nan 0.000 0.443 144 L N -0.783 120.426 121.223 -0.024 0.000 2.083 144 L HA -0.164 4.176 4.340 0.000 0.000 0.209 144 L C 2.798 179.729 176.870 0.103 0.000 1.083 144 L CA 1.696 56.623 54.840 0.145 0.000 0.752 144 L CB -0.877 41.374 42.059 0.321 0.000 0.899 144 L HN 0.361 nan 8.230 nan 0.000 0.433 145 T N -0.341 114.224 114.554 0.019 0.000 2.684 145 T HA -0.167 4.184 4.350 0.000 0.000 0.267 145 T C 1.635 176.282 174.700 -0.089 0.000 1.036 145 T CA 1.686 63.703 62.100 -0.138 0.000 1.148 145 T CB -0.245 68.392 68.868 -0.386 0.000 0.863 145 T HN 0.297 nan 8.240 nan 0.000 0.436 146 N N 0.687 119.356 118.700 -0.051 0.000 2.331 146 N HA 0.138 4.878 4.740 0.000 0.000 0.180 146 N C 1.730 177.253 175.510 0.022 0.000 1.019 146 N CA 0.506 53.547 53.050 -0.013 0.000 0.881 146 N CB -0.310 38.176 38.487 -0.001 0.000 0.972 146 N HN 0.400 nan 8.380 nan 0.000 0.435 147 I N 0.412 121.004 120.570 0.036 0.000 2.286 147 I HA -0.143 4.027 4.170 0.000 0.000 0.245 147 I C 2.002 178.156 176.117 0.062 0.000 1.104 147 I CA 0.761 62.096 61.300 0.059 0.000 1.397 147 I CB -0.212 37.841 38.000 0.088 0.000 1.072 147 I HN 0.053 nan 8.210 nan 0.000 0.417 148 A N 0.403 123.259 122.820 0.060 0.000 2.172 148 A HA -0.153 4.167 4.320 0.000 0.000 0.216 148 A C 2.319 179.955 177.584 0.086 0.000 1.154 148 A CA 1.625 53.700 52.037 0.063 0.000 0.701 148 A CB -0.623 18.400 19.000 0.037 0.000 0.789 148 A HN 0.523 nan 8.150 nan 0.000 0.465 149 S N -0.874 114.878 115.700 0.087 0.000 2.603 149 S HA 0.302 4.772 4.470 0.000 0.000 0.220 149 S C 1.234 175.891 174.600 0.095 0.000 0.967 149 S CA 0.451 58.721 58.200 0.117 0.000 0.920 149 S CB -0.416 62.855 63.200 0.120 0.000 0.773 149 S HN 0.579 nan 8.310 nan 0.000 0.529 150 G N 1.837 110.684 108.800 0.078 0.000 2.735 150 G HA2 0.409 4.369 3.960 0.000 0.000 0.192 150 G HA3 0.409 4.369 3.960 0.000 0.000 0.192 150 G C 0.282 175.223 174.900 0.068 0.000 1.547 150 G CA 0.096 45.235 45.100 0.066 0.000 1.080 150 G HN 0.556 nan 8.290 nan 0.000 0.569 151 T N -2.304 112.285 114.554 0.059 0.000 2.766 151 T HA 0.225 4.575 4.350 0.000 0.000 0.295 151 T C 1.535 176.280 174.700 0.074 0.000 1.024 151 T CA 0.493 62.626 62.100 0.055 0.000 1.018 151 T CB 1.051 69.945 68.868 0.042 0.000 1.002 151 T HN 0.199 nan 8.240 nan 0.000 0.532 152 S N 0.208 115.947 115.700 0.065 0.000 2.383 152 S HA -0.139 4.331 4.470 0.000 0.000 0.229 152 S C 1.941 176.611 174.600 0.117 0.000 1.030 152 S CA 1.569 59.821 58.200 0.086 0.000 1.002 152 S CB -0.594 62.619 63.200 0.023 0.000 0.829 152 S HN 0.915 nan 8.310 nan 0.000 0.467 153 E N 1.567 121.813 120.200 0.078 0.000 2.106 153 E HA -0.138 4.212 4.350 0.000 0.000 0.192 153 E C 2.034 178.686 176.600 0.087 0.000 0.984 153 E CA 1.406 57.852 56.400 0.077 0.000 0.806 153 E CB -0.264 29.465 29.700 0.047 0.000 0.750 153 E HN 0.584 nan 8.360 nan 0.000 0.458 154 Q N -0.823 119.024 119.800 0.079 0.000 2.083 154 Q HA -0.056 4.285 4.340 0.000 0.000 0.198 154 Q C 2.141 178.192 176.000 0.085 0.000 0.969 154 Q CA 1.753 57.599 55.803 0.072 0.000 0.838 154 Q CB -0.037 28.738 28.738 0.062 0.000 0.900 154 Q HN 0.257 nan 8.270 nan 0.000 0.436 155 T N 1.290 115.912 114.554 0.114 0.000 2.788 155 T HA -0.162 4.188 4.350 0.000 0.000 0.268 155 T C 1.677 176.436 174.700 0.098 0.000 1.044 155 T CA 1.311 63.479 62.100 0.113 0.000 1.139 155 T CB -0.097 68.883 68.868 0.187 0.000 0.867 155 T HN 0.240 nan 8.240 nan 0.000 0.454 156 K N 1.159 121.694 120.400 0.226 0.000 2.097 156 K HA -0.031 4.289 4.320 0.000 0.000 0.206 156 K C 2.483 179.136 176.600 0.088 0.000 1.049 156 K CA 1.195 57.638 56.287 0.260 0.000 0.933 156 K CB -0.308 32.371 32.500 0.298 0.000 0.717 156 K HN 0.276 nan 8.250 nan 0.000 0.442 157 A N 0.683 123.543 122.820 0.067 0.000 1.902 157 A HA -0.111 4.209 4.320 0.000 0.000 0.217 157 A C 2.214 179.801 177.584 0.005 0.000 1.181 157 A CA 1.671 53.728 52.037 0.032 0.000 0.623 157 A CB -0.595 18.424 19.000 0.032 0.000 0.818 157 A HN 0.182 nan 8.150 nan 0.000 0.443 158 V N -0.466 119.451 119.914 0.005 0.000 2.307 158 V HA -0.217 3.903 4.120 0.000 0.000 0.245 158 V C 2.570 178.628 176.094 -0.059 0.000 1.045 158 V CA 1.923 64.225 62.300 0.003 0.000 1.024 158 V CB -0.774 31.074 31.823 0.042 0.000 0.651 158 V HN 0.372 nan 8.190 nan 0.000 0.449 159 V N 0.315 120.134 119.914 -0.159 0.000 2.295 159 V HA -0.263 3.857 4.120 0.000 0.000 0.246 159 V C 2.243 178.265 176.094 -0.120 0.000 1.049 159 V CA 2.216 64.363 62.300 -0.256 0.000 1.024 159 V CB -0.765 30.685 31.823 -0.622 0.000 0.648 159 V HN 0.540 nan 8.190 nan 0.000 0.447 160 D N 0.781 121.148 120.400 -0.054 0.000 2.265 160 D HA -0.105 4.535 4.640 0.000 0.000 0.208 160 D C 2.073 178.357 176.300 -0.028 0.000 0.977 160 D CA 1.436 55.429 54.000 -0.012 0.000 0.871 160 D CB -0.451 40.358 40.800 0.015 0.000 0.925 160 D HN 0.511 nan 8.370 nan 0.000 0.485 161 G N -0.771 108.003 108.800 -0.043 0.000 2.848 161 G HA2 0.212 4.172 3.960 0.000 0.000 0.208 161 G HA3 0.212 4.172 3.960 0.000 0.000 0.208 161 G C 1.201 176.062 174.900 -0.066 0.000 1.152 161 G CA 0.486 45.552 45.100 -0.056 0.000 0.789 161 G HN 0.445 nan 8.290 nan 0.000 0.531 162 G N -0.997 107.765 108.800 -0.064 0.000 2.132 162 G HA2 0.007 3.968 3.960 0.000 0.000 0.234 162 G HA3 0.007 3.968 3.960 0.000 0.000 0.234 162 G C 1.225 176.066 174.900 -0.099 0.000 0.989 162 G CA 0.901 45.963 45.100 -0.064 0.000 0.676 162 G HN 1.083 nan 8.290 nan 0.000 0.522 163 A N -0.032 122.723 122.820 -0.108 0.000 1.933 163 A HA 0.169 4.489 4.320 0.000 0.000 0.218 163 A C 2.382 179.931 177.584 -0.059 0.000 1.175 163 A CA 1.807 53.762 52.037 -0.137 0.000 0.628 163 A CB -0.312 18.693 19.000 0.009 0.000 0.814 163 A HN 0.810 nan 8.150 nan 0.000 0.444 164 I N 0.536 121.053 120.570 -0.088 0.000 2.091 164 I HA -0.221 3.949 4.170 0.000 0.000 0.239 164 I C -0.176 175.884 176.117 -0.094 0.000 1.061 164 I CA 2.061 63.274 61.300 -0.145 0.000 1.317 164 I CB -1.345 36.339 38.000 -0.526 0.000 1.031 164 I HN 0.281 nan 8.210 nan 0.000 0.401 165 P HA -0.175 nan 4.420 nan 0.000 0.217 165 P C 1.387 178.699 177.300 0.020 0.000 1.150 165 P CA 2.096 65.229 63.100 0.054 0.000 0.832 165 P CB -0.031 31.754 31.700 0.142 0.000 0.787 166 A N -0.550 122.235 122.820 -0.059 0.000 1.902 166 A HA -0.162 4.158 4.320 0.000 0.000 0.217 166 A C 2.062 179.583 177.584 -0.105 0.000 1.181 166 A CA 1.342 53.304 52.037 -0.125 0.000 0.623 166 A CB -1.700 17.146 19.000 -0.257 0.000 0.818 166 A HN 0.035 nan 8.150 nan 0.000 0.443 167 F N -0.063 119.883 119.950 -0.008 0.000 2.186 167 F HA -0.018 4.510 4.527 0.000 0.000 0.299 167 F C 2.114 177.923 175.800 0.014 0.000 1.090 167 F CA 0.715 58.717 58.000 0.003 0.000 1.307 167 F CB -0.397 38.595 39.000 -0.014 0.000 1.019 167 F HN 0.117 nan 8.300 nan 0.000 0.489 168 I N -1.252 119.433 120.570 0.191 0.000 2.394 168 I HA -0.277 3.893 4.170 0.000 0.000 0.251 168 I C 2.301 178.481 176.117 0.104 0.000 1.136 168 I CA 1.083 62.459 61.300 0.128 0.000 1.425 168 I CB -0.546 37.517 38.000 0.105 0.000 1.079 168 I HN -0.007 nan 8.210 nan 0.000 0.425 169 S N 0.709 116.461 115.700 0.087 0.000 2.383 169 S HA -0.031 4.439 4.470 0.000 0.000 0.227 169 S C 1.929 176.577 174.600 0.079 0.000 1.026 169 S CA 0.962 59.202 58.200 0.067 0.000 0.981 169 S CB -0.174 63.052 63.200 0.043 0.000 0.818 169 S HN 0.372 nan 8.310 nan 0.000 0.472 170 L N 1.203 122.488 121.223 0.104 0.000 2.465 170 L HA 0.030 4.370 4.340 0.000 0.000 0.224 170 L C 1.784 178.735 176.870 0.135 0.000 1.145 170 L CA 0.492 55.407 54.840 0.126 0.000 0.834 170 L CB -0.446 41.716 42.059 0.172 0.000 0.944 170 L HN 0.326 nan 8.230 nan 0.000 0.451 171 L N -0.216 121.084 121.223 0.128 0.000 2.191 171 L HA -0.166 4.174 4.340 0.000 0.000 0.212 171 L C 2.313 179.245 176.870 0.103 0.000 1.103 171 L CA 0.987 55.896 54.840 0.116 0.000 0.769 171 L CB -0.466 41.649 42.059 0.095 0.000 0.908 171 L HN 0.244 nan 8.230 nan 0.000 0.438 172 A N -1.166 121.704 122.820 0.084 0.000 2.337 172 A HA 0.078 4.398 4.320 0.000 0.000 0.227 172 A C 1.117 178.733 177.584 0.053 0.000 1.259 172 A CA -0.059 52.016 52.037 0.064 0.000 0.870 172 A CB -0.156 18.873 19.000 0.049 0.000 0.927 172 A HN 0.235 nan 8.150 nan 0.000 0.497 173 S N 0.481 116.225 115.700 0.072 0.000 2.558 173 S HA 0.199 4.669 4.470 0.000 0.000 0.288 173 S C -1.293 173.309 174.600 0.003 0.000 1.318 173 S CA -0.666 57.571 58.200 0.062 0.000 1.056 173 S CB 0.636 63.904 63.200 0.115 0.000 0.853 173 S HN 0.250 nan 8.310 nan 0.000 0.505 174 P HA 0.055 nan 4.420 nan 0.000 0.229 174 P C -0.440 176.698 177.300 -0.271 0.000 1.160 174 P CA 0.744 63.714 63.100 -0.217 0.000 0.777 174 P CB 0.031 31.536 31.700 -0.324 0.000 0.814 175 H N -0.434 118.648 119.070 0.020 0.000 2.705 175 H HA 0.335 4.892 4.556 0.000 0.000 0.291 175 H C 1.316 176.663 175.328 0.032 0.000 1.085 175 H CA -0.316 55.752 56.048 0.034 0.000 1.357 175 H CB 1.258 30.999 29.762 -0.035 0.000 1.419 175 H HN -0.031 nan 8.280 nan 0.000 0.462 176 A N 4.464 127.382 122.820 0.164 0.000 1.892 176 A HA -0.251 4.069 4.320 0.000 0.000 0.218 176 A C 2.097 179.826 177.584 0.242 0.000 1.188 176 A CA 1.803 53.909 52.037 0.114 0.000 0.631 176 A CB -0.764 18.206 19.000 -0.049 0.000 0.822 176 A HN 0.897 nan 8.150 nan 0.000 0.447 177 H N -0.669 118.439 119.070 0.063 0.000 2.489 177 H HA 0.002 4.558 4.556 0.000 0.000 0.293 177 H C 1.802 177.222 175.328 0.152 0.000 1.066 177 H CA 1.530 57.595 56.048 0.029 0.000 1.305 177 H CB -0.664 28.929 29.762 -0.281 0.000 1.386 177 H HN 0.524 nan 8.280 nan 0.000 0.551 178 I N 1.427 121.813 120.570 -0.307 0.000 2.400 178 I HA -0.188 3.983 4.170 0.000 0.000 0.248 178 I C 2.694 178.893 176.117 0.136 0.000 1.109 178 I CA 1.051 62.315 61.300 -0.059 0.000 1.425 178 I CB -0.183 37.745 38.000 -0.120 0.000 1.094 178 I HN 0.309 nan 8.210 nan 0.000 0.425 179 S N 0.347 116.143 115.700 0.160 0.000 2.382 179 S HA -0.253 4.218 4.470 0.000 0.000 0.228 179 S C 1.878 176.593 174.600 0.192 0.000 1.027 179 S CA 1.404 59.720 58.200 0.195 0.000 0.991 179 S CB -0.496 62.841 63.200 0.228 0.000 0.823 179 S HN 0.512 nan 8.310 nan 0.000 0.469 180 E N 0.789 121.146 120.200 0.261 0.000 2.051 180 E HA -0.205 4.145 4.350 0.000 0.000 0.192 180 E C 2.309 179.006 176.600 0.162 0.000 0.991 180 E CA 1.231 57.724 56.400 0.156 0.000 0.799 180 E CB -0.165 29.715 29.700 0.300 0.000 0.748 180 E HN 0.424 nan 8.360 nan 0.000 0.449 181 Q N -0.043 119.874 119.800 0.194 0.000 2.124 181 Q HA -0.143 4.197 4.340 0.000 0.000 0.202 181 Q C 2.114 178.144 176.000 0.051 0.000 0.977 181 Q CA 1.397 57.271 55.803 0.118 0.000 0.850 181 Q CB -0.357 28.454 28.738 0.122 0.000 0.901 181 Q HN 0.408 nan 8.270 nan 0.000 0.429 182 A N 0.143 123.033 122.820 0.117 0.000 1.902 182 A HA -0.133 4.188 4.320 0.000 0.000 0.217 182 A C 2.435 179.983 177.584 -0.061 0.000 1.181 182 A CA 1.568 53.656 52.037 0.086 0.000 0.623 182 A CB -0.689 18.459 19.000 0.246 0.000 0.818 182 A HN 0.214 nan 8.150 nan 0.000 0.443 183 V N -1.467 118.459 119.914 0.019 0.000 2.295 183 V HA -0.252 3.868 4.120 0.000 0.000 0.246 183 V C 2.279 178.416 176.094 0.071 0.000 1.049 183 V CA 1.873 64.173 62.300 0.000 0.000 1.024 183 V CB -0.885 30.905 31.823 -0.055 0.000 0.648 183 V HN 0.852 nan 8.190 nan 0.000 0.447 184 W N 1.088 122.338 121.300 -0.082 0.000 2.354 184 W HA -0.218 4.442 4.660 0.000 0.000 0.315 184 W C 2.590 179.066 176.519 -0.070 0.000 1.206 184 W CA 2.351 59.700 57.345 0.008 0.000 1.290 184 W CB -0.854 28.562 29.460 -0.073 0.000 1.152 184 W HN 0.281 nan 8.180 nan 0.000 0.489 185 A N 0.611 123.401 122.820 -0.049 0.000 1.883 185 A HA -0.221 4.100 4.320 0.000 0.000 0.217 185 A C 2.309 179.711 177.584 -0.303 0.000 1.186 185 A CA 2.097 53.889 52.037 -0.409 0.000 0.624 185 A CB -1.203 16.935 19.000 -1.436 0.000 0.822 185 A HN 0.338 nan 8.150 nan 0.000 0.444 186 L N -0.790 120.259 121.223 -0.291 0.000 2.131 186 L HA -0.113 4.227 4.340 0.000 0.000 0.210 186 L C 2.788 179.581 176.870 -0.129 0.000 1.092 186 L CA 0.889 55.626 54.840 -0.173 0.000 0.759 186 L CB -0.740 41.250 42.059 -0.115 0.000 0.903 186 L HN 0.509 nan 8.230 nan 0.000 0.435 187 G N -0.156 108.584 108.800 -0.100 0.000 2.418 187 G HA2 -0.261 3.699 3.960 0.000 0.000 0.217 187 G HA3 -0.261 3.699 3.960 0.000 0.000 0.217 187 G C 1.393 176.191 174.900 -0.169 0.000 1.158 187 G CA 0.630 45.540 45.100 -0.317 0.000 0.771 187 G HN 0.297 nan 8.290 nan 0.000 0.545 188 N N 0.601 119.390 118.700 0.147 0.000 2.120 188 N HA -0.022 4.718 4.740 0.000 0.000 0.188 188 N C 2.226 177.778 175.510 0.071 0.000 1.024 188 N CA 0.692 53.861 53.050 0.199 0.000 0.852 188 N CB -0.242 38.386 38.487 0.235 0.000 1.003 188 N HN 0.363 nan 8.380 nan 0.000 0.424 189 I N 0.676 121.244 120.570 -0.003 0.000 2.202 189 I HA -0.206 3.964 4.170 0.000 0.000 0.242 189 I C 2.177 178.318 176.117 0.040 0.000 1.091 189 I CA 1.040 62.326 61.300 -0.024 0.000 1.368 189 I CB -0.269 37.651 38.000 -0.132 0.000 1.058 189 I HN 0.061 nan 8.210 nan 0.000 0.410 190 A N 0.743 123.545 122.820 -0.030 0.000 1.969 190 A HA -0.071 4.249 4.320 0.000 0.000 0.218 190 A C 2.344 179.898 177.584 -0.050 0.000 1.169 190 A CA 1.579 53.597 52.037 -0.031 0.000 0.635 190 A CB -1.252 17.684 19.000 -0.106 0.000 0.810 190 A HN 0.474 nan 8.150 nan 0.000 0.445 191 G N -0.499 108.251 108.800 -0.083 0.000 2.559 191 G HA2 -0.178 3.782 3.960 0.000 0.000 0.216 191 G HA3 -0.178 3.782 3.960 0.000 0.000 0.216 191 G C 1.076 175.972 174.900 -0.006 0.000 1.126 191 G CA 1.153 46.205 45.100 -0.080 0.000 0.778 191 G HN 0.593 nan 8.290 nan 0.000 0.543 192 D N -0.381 120.057 120.400 0.064 0.000 2.178 192 D HA 0.273 4.913 4.640 0.000 0.000 0.202 192 D C 1.313 177.609 176.300 -0.006 0.000 0.974 192 D CA 1.499 55.548 54.000 0.082 0.000 0.841 192 D CB 0.052 40.999 40.800 0.245 0.000 0.953 192 D HN 0.431 nan 8.370 nan 0.000 0.478 193 G N -2.507 106.279 108.800 -0.024 0.000 2.359 193 G HA2 0.037 3.998 3.960 0.000 0.000 0.293 193 G HA3 0.037 3.998 3.960 0.000 0.000 0.293 193 G C 0.488 175.348 174.900 -0.066 0.000 1.300 193 G CA 0.048 45.102 45.100 -0.076 0.000 0.888 193 G HN -0.102 nan 8.290 nan 0.000 0.541 194 S N -0.166 115.486 115.700 -0.080 0.000 2.365 194 S HA -0.118 4.352 4.470 0.000 0.000 0.225 194 S C 2.832 177.411 174.600 -0.036 0.000 1.039 194 S CA 2.841 61.006 58.200 -0.058 0.000 1.033 194 S CB -0.622 62.542 63.200 -0.059 0.000 0.887 194 S HN 1.467 nan 8.310 nan 0.000 0.447 195 A N 1.307 124.077 122.820 -0.082 0.000 1.858 195 A HA -0.051 4.269 4.320 0.000 0.000 0.216 195 A C 1.868 179.502 177.584 0.084 0.000 1.190 195 A CA 1.499 53.497 52.037 -0.065 0.000 0.617 195 A CB -0.893 17.986 19.000 -0.203 0.000 0.827 195 A HN 0.450 nan 8.150 nan 0.000 0.443 196 F N -0.100 119.843 119.950 -0.010 0.000 2.234 196 F HA -0.022 4.505 4.527 0.000 0.000 0.299 196 F C 2.361 178.150 175.800 -0.019 0.000 1.087 196 F CA 0.880 58.874 58.000 -0.010 0.000 1.340 196 F CB -0.748 38.242 39.000 -0.016 0.000 1.031 196 F HN 0.280 nan 8.300 nan 0.000 0.500 197 R N 0.658 121.247 120.500 0.149 0.000 2.070 197 R HA -0.164 4.176 4.340 0.000 0.000 0.233 197 R C 1.643 177.978 176.300 0.058 0.000 1.137 197 R CA 2.077 58.209 56.100 0.054 0.000 0.945 197 R CB -0.393 29.905 30.300 -0.004 0.000 0.845 197 R HN 0.103 nan 8.270 nan 0.000 0.430 198 D N 0.616 121.055 120.400 0.065 0.000 2.219 198 D HA -0.132 4.508 4.640 0.000 0.000 0.205 198 D C 1.799 178.161 176.300 0.102 0.000 0.970 198 D CA 0.567 54.605 54.000 0.063 0.000 0.851 198 D CB -0.068 40.758 40.800 0.044 0.000 0.943 198 D HN 0.184 nan 8.370 nan 0.000 0.488 199 L N 0.466 121.781 121.223 0.153 0.000 2.109 199 L HA -0.082 4.259 4.340 0.000 0.000 0.207 199 L C 2.174 179.188 176.870 0.239 0.000 1.086 199 L CA 1.104 56.075 54.840 0.217 0.000 0.760 199 L CB -0.367 41.849 42.059 0.261 0.000 0.910 199 L HN -0.159 nan 8.230 nan 0.000 0.437 200 V N -0.220 119.766 119.914 0.120 0.000 2.407 200 V HA -0.300 3.820 4.120 0.000 0.000 0.248 200 V C 2.461 178.617 176.094 0.102 0.000 1.055 200 V CA 2.085 64.423 62.300 0.062 0.000 1.049 200 V CB -0.423 31.403 31.823 0.005 0.000 0.662 200 V HN 0.397 nan 8.190 nan 0.000 0.455 201 I N -0.622 119.999 120.570 0.085 0.000 2.252 201 I HA -0.222 3.949 4.170 0.000 0.000 0.245 201 I C 2.521 178.686 176.117 0.079 0.000 1.102 201 I CA 1.482 62.821 61.300 0.066 0.000 1.385 201 I CB -0.421 37.604 38.000 0.041 0.000 1.064 201 I HN 0.233 nan 8.210 nan 0.000 0.414 202 K N -0.007 120.450 120.400 0.095 0.000 2.147 202 K HA -0.194 4.127 4.320 0.000 0.000 0.205 202 K C 1.777 178.390 176.600 0.022 0.000 1.049 202 K CA 1.358 57.673 56.287 0.047 0.000 0.936 202 K CB -0.232 32.284 32.500 0.026 0.000 0.722 202 K HN 0.376 nan 8.250 nan 0.000 0.446 203 H N -0.772 118.311 119.070 0.023 0.000 2.563 203 H HA 0.056 4.612 4.556 0.000 0.000 0.272 203 H C 0.799 176.140 175.328 0.022 0.000 1.005 203 H CA 0.862 56.923 56.048 0.022 0.000 1.171 203 H CB 0.198 29.974 29.762 0.025 0.000 1.351 203 H HN 0.434 nan 8.280 nan 0.000 0.602 204 G N -0.040 108.826 108.800 0.109 0.000 2.212 204 G HA2 -0.271 3.689 3.960 0.000 0.000 0.255 204 G HA3 -0.271 3.689 3.960 0.000 0.000 0.255 204 G C 1.165 176.107 174.900 0.070 0.000 1.062 204 G CA 0.415 45.557 45.100 0.070 0.000 0.815 204 G HN 0.600 nan 8.290 nan 0.000 0.497 205 A N -0.578 122.284 122.820 0.071 0.000 2.014 205 A HA 0.332 4.652 4.320 0.000 0.000 0.218 205 A C 2.368 179.971 177.584 0.032 0.000 1.163 205 A CA 1.566 53.634 52.037 0.051 0.000 0.652 205 A CB -0.187 18.835 19.000 0.038 0.000 0.808 205 A HN 0.730 nan 8.150 nan 0.000 0.449 206 I N 0.067 120.653 120.570 0.027 0.000 2.127 206 I HA -0.273 3.897 4.170 0.000 0.000 0.241 206 I C 1.967 178.095 176.117 0.019 0.000 1.075 206 I CA 1.604 62.914 61.300 0.017 0.000 1.334 206 I CB -0.567 37.441 38.000 0.015 0.000 1.040 206 I HN 0.285 nan 8.210 nan 0.000 0.405 207 D N 0.880 121.294 120.400 0.024 0.000 2.106 207 D HA -0.157 4.483 4.640 0.000 0.000 0.191 207 D C -0.310 176.006 176.300 0.027 0.000 0.997 207 D CA 1.727 55.741 54.000 0.024 0.000 0.834 207 D CB -1.734 39.081 40.800 0.024 0.000 0.956 207 D HN 0.291 nan 8.370 nan 0.000 0.448 208 P HA -0.060 nan 4.420 nan 0.000 0.216 208 P C 1.893 179.216 177.300 0.039 0.000 1.153 208 P CA 0.709 63.833 63.100 0.041 0.000 0.848 208 P CB -0.042 31.688 31.700 0.049 0.000 0.787 209 L N -1.396 119.844 121.223 0.028 0.000 2.017 209 L HA -0.156 4.185 4.340 0.000 0.000 0.208 209 L C 2.458 179.338 176.870 0.017 0.000 1.073 209 L CA 1.357 56.206 54.840 0.016 0.000 0.745 209 L CB -0.979 41.078 42.059 -0.004 0.000 0.894 209 L HN -0.058 nan 8.230 nan 0.000 0.432 210 L N -0.567 120.667 121.223 0.017 0.000 2.141 210 L HA -0.165 4.175 4.340 0.000 0.000 0.209 210 L C 2.840 179.725 176.870 0.025 0.000 1.094 210 L CA 0.950 55.800 54.840 0.017 0.000 0.763 210 L CB -0.787 41.281 42.059 0.014 0.000 0.908 210 L HN 0.249 nan 8.230 nan 0.000 0.437 211 A N 0.318 123.157 122.820 0.031 0.000 1.972 211 A HA -0.142 4.178 4.320 0.000 0.000 0.219 211 A C 2.226 179.839 177.584 0.049 0.000 1.169 211 A CA 1.221 53.278 52.037 0.035 0.000 0.635 211 A CB -0.607 18.414 19.000 0.035 0.000 0.810 211 A HN 0.381 nan 8.150 nan 0.000 0.446 212 L N -0.978 120.285 121.223 0.066 0.000 2.265 212 L HA -0.080 4.261 4.340 0.000 0.000 0.215 212 L C 1.687 178.622 176.870 0.109 0.000 1.117 212 L CA 0.689 55.596 54.840 0.112 0.000 0.782 212 L CB -0.278 41.871 42.059 0.149 0.000 0.914 212 L HN 0.352 nan 8.230 nan 0.000 0.441 213 L N -0.476 120.785 121.223 0.064 0.000 2.667 213 L HA 0.228 4.568 4.340 0.000 0.000 0.232 213 L C 1.224 178.111 176.870 0.028 0.000 1.138 213 L CA -0.433 54.433 54.840 0.044 0.000 0.921 213 L CB -0.001 42.070 42.059 0.020 0.000 1.180 213 L HN 0.044 nan 8.230 nan 0.000 0.487 214 A N 1.585 124.423 122.820 0.030 0.000 3.037 214 A HA 0.443 4.763 4.320 0.000 0.000 0.272 214 A C 0.095 177.689 177.584 0.016 0.000 1.723 214 A CA -0.139 51.910 52.037 0.020 0.000 1.413 214 A CB -0.817 18.194 19.000 0.019 0.000 1.112 214 A HN 0.120 nan 8.150 nan 0.000 0.606 215 V N -1.221 118.702 119.914 0.014 0.000 2.962 215 V HA 0.589 4.709 4.120 0.000 0.000 0.313 215 V C -1.906 174.193 176.094 0.009 0.000 1.099 215 V CA -1.768 60.538 62.300 0.010 0.000 0.971 215 V CB 1.121 32.950 31.823 0.011 0.000 1.028 215 V HN 0.324 nan 8.190 nan 0.000 0.430 216 P HA -0.040 nan 4.420 nan 0.000 0.216 216 P C -0.179 177.130 177.300 0.014 0.000 1.153 216 P CA 1.698 64.803 63.100 0.009 0.000 0.858 216 P CB 0.134 31.838 31.700 0.007 0.000 0.789 217 D N -1.983 118.429 120.400 0.020 0.000 2.686 217 D HA 0.133 4.773 4.640 0.000 0.000 0.249 217 D C 0.875 177.198 176.300 0.038 0.000 1.260 217 D CA -0.404 53.617 54.000 0.035 0.000 0.910 217 D CB 0.877 41.700 40.800 0.038 0.000 1.323 217 D HN -0.212 nan 8.370 nan 0.000 0.561 218 L N 1.917 123.162 121.223 0.036 0.000 2.189 218 L HA -0.155 4.185 4.340 0.000 0.000 0.214 218 L C 1.984 178.880 176.870 0.043 0.000 1.097 218 L CA 0.863 55.690 54.840 -0.022 0.000 0.764 218 L CB -0.291 41.657 42.059 -0.185 0.000 0.900 218 L HN 0.326 nan 8.230 nan 0.000 0.436 219 S N -0.872 114.918 115.700 0.151 0.000 2.469 219 S HA -0.130 4.340 4.470 0.000 0.000 0.238 219 S C 1.943 176.596 174.600 0.087 0.000 0.998 219 S CA 1.559 59.864 58.200 0.174 0.000 0.957 219 S CB -0.332 62.952 63.200 0.140 0.000 0.764 219 S HN 0.664 nan 8.310 nan 0.000 0.514 220 T N -0.240 114.345 114.554 0.051 0.000 3.113 220 T HA 0.265 4.615 4.350 0.000 0.000 0.256 220 T C 0.465 175.170 174.700 0.008 0.000 1.131 220 T CA 0.011 62.124 62.100 0.023 0.000 1.074 220 T CB -0.375 68.499 68.868 0.010 0.000 0.944 220 T HN 0.157 nan 8.240 nan 0.000 0.516 221 L N 1.674 122.910 121.223 0.022 0.000 2.375 221 L HA 0.623 4.964 4.340 0.000 0.000 0.271 221 L C 0.835 177.728 176.870 0.038 0.000 1.107 221 L CA -1.234 53.614 54.840 0.014 0.000 0.806 221 L CB 0.584 42.681 42.059 0.063 0.000 1.146 221 L HN 0.144 nan 8.230 nan 0.000 0.447 222 A N 1.215 124.043 122.820 0.013 0.000 2.520 222 A HA 0.002 4.322 4.320 0.000 0.000 0.245 222 A C 1.136 178.794 177.584 0.124 0.000 1.072 222 A CA -0.202 51.867 52.037 0.053 0.000 0.761 222 A CB 0.298 19.317 19.000 0.031 0.000 1.004 222 A HN 1.080 nan 8.150 nan 0.000 0.499 223 C N 2.797 122.156 119.300 0.099 0.000 2.393 223 C HA -0.112 4.348 4.460 0.000 0.000 0.276 223 C C 2.736 177.782 174.990 0.094 0.000 1.215 223 C CA 2.037 61.117 59.018 0.103 0.000 1.743 223 C CB -1.572 26.215 27.740 0.078 0.000 2.044 223 C HN 0.973 nan 8.230 nan 0.000 0.464 224 G N -2.144 106.708 108.800 0.086 0.000 2.422 224 G HA2 -0.246 3.714 3.960 0.000 0.000 0.218 224 G HA3 -0.246 3.714 3.960 0.000 0.000 0.218 224 G C 1.451 176.399 174.900 0.080 0.000 1.146 224 G CA 1.096 46.231 45.100 0.059 0.000 0.769 224 G HN 0.705 nan 8.290 nan 0.000 0.547 225 Y N 0.472 120.779 120.300 0.012 0.000 2.145 225 Y HA -0.066 4.484 4.550 0.000 0.000 0.286 225 Y C 2.509 178.415 175.900 0.009 0.000 1.145 225 Y CA 1.565 59.678 58.100 0.022 0.000 1.148 225 Y CB -0.243 38.234 38.460 0.028 0.000 0.981 225 Y HN 0.147 nan 8.280 nan 0.000 0.507 226 L N 0.741 122.053 121.223 0.148 0.000 2.046 226 L HA -0.151 4.189 4.340 0.000 0.000 0.208 226 L C 2.291 179.149 176.870 -0.020 0.000 1.077 226 L CA 1.690 56.553 54.840 0.039 0.000 0.747 226 L CB -0.697 41.375 42.059 0.022 0.000 0.896 226 L HN 0.113 nan 8.230 nan 0.000 0.432 227 R N -0.639 119.859 120.500 -0.003 0.000 2.096 227 R HA -0.148 4.192 4.340 0.000 0.000 0.235 227 R C 2.195 178.472 176.300 -0.040 0.000 1.127 227 R CA 1.330 57.421 56.100 -0.015 0.000 0.968 227 R CB -0.508 29.770 30.300 -0.037 0.000 0.861 227 R HN 0.499 nan 8.270 nan 0.000 0.440 228 N N 0.758 119.395 118.700 -0.104 0.000 2.106 228 N HA -0.119 4.621 4.740 0.000 0.000 0.188 228 N C 1.852 177.340 175.510 -0.037 0.000 1.029 228 N CA 1.144 54.121 53.050 -0.121 0.000 0.848 228 N CB -0.005 38.367 38.487 -0.190 0.000 1.007 228 N HN 0.158 nan 8.380 nan 0.000 0.423 229 L N 0.745 121.889 121.223 -0.131 0.000 2.046 229 L HA -0.167 4.173 4.340 0.000 0.000 0.208 229 L C 2.321 179.165 176.870 -0.042 0.000 1.077 229 L CA 1.165 55.937 54.840 -0.114 0.000 0.747 229 L CB -0.620 41.348 42.059 -0.152 0.000 0.896 229 L HN 0.173 nan 8.230 nan 0.000 0.432 230 T N -1.537 113.012 114.554 -0.008 0.000 2.684 230 T HA -0.275 4.075 4.350 0.000 0.000 0.267 230 T C 1.284 176.020 174.700 0.061 0.000 1.036 230 T CA 1.710 63.825 62.100 0.025 0.000 1.148 230 T CB -0.462 68.432 68.868 0.045 0.000 0.863 230 T HN 0.530 nan 8.240 nan 0.000 0.436 231 W N 1.857 123.101 121.300 -0.093 0.000 2.358 231 W HA -0.155 4.505 4.660 0.000 0.000 0.303 231 W C 2.280 178.750 176.519 -0.081 0.000 1.208 231 W CA 1.480 58.767 57.345 -0.096 0.000 1.274 231 W CB -0.855 28.496 29.460 -0.182 0.000 1.138 231 W HN 0.091 nan 8.180 nan 0.000 0.515 232 T N 1.452 115.847 114.554 -0.266 0.000 2.821 232 T HA -0.191 4.159 4.350 0.000 0.000 0.267 232 T C 1.951 176.459 174.700 -0.320 0.000 1.046 232 T CA 1.727 63.542 62.100 -0.474 0.000 1.139 232 T CB -0.509 68.231 68.868 -0.214 0.000 0.871 232 T HN 0.135 nan 8.240 nan 0.000 0.454 233 L N 1.412 122.534 121.223 -0.168 0.000 2.083 233 L HA -0.123 4.217 4.340 0.000 0.000 0.209 233 L C 2.907 179.729 176.870 -0.080 0.000 1.083 233 L CA 1.509 56.290 54.840 -0.098 0.000 0.752 233 L CB -0.618 41.414 42.059 -0.045 0.000 0.899 233 L HN 0.400 nan 8.230 nan 0.000 0.433 234 S N -0.663 114.990 115.700 -0.078 0.000 2.399 234 S HA -0.167 4.304 4.470 0.000 0.000 0.231 234 S C 1.737 176.361 174.600 0.040 0.000 1.022 234 S CA 1.286 59.514 58.200 0.047 0.000 0.983 234 S CB -0.424 62.837 63.200 0.102 0.000 0.803 234 S HN 0.389 nan 8.310 nan 0.000 0.480 235 N N 1.611 120.165 118.700 -0.242 0.000 2.331 235 N HA 0.178 4.918 4.740 0.000 0.000 0.180 235 N C 1.459 176.852 175.510 -0.194 0.000 1.019 235 N CA 0.773 53.641 53.050 -0.304 0.000 0.881 235 N CB -0.529 37.634 38.487 -0.541 0.000 0.972 235 N HN 0.466 nan 8.380 nan 0.000 0.435 236 L N -0.760 120.378 121.223 -0.142 0.000 2.478 236 L HA -0.011 4.330 4.340 0.000 0.000 0.223 236 L C 1.103 177.953 176.870 -0.033 0.000 1.140 236 L CA 0.349 55.140 54.840 -0.081 0.000 0.842 236 L CB 0.027 42.048 42.059 -0.065 0.000 0.953 236 L HN 0.182 nan 8.230 nan 0.000 0.452 237 C N -1.186 118.120 119.300 0.011 0.000 2.906 237 C HA 0.160 4.620 4.460 0.000 0.000 0.274 237 C C 1.520 176.551 174.990 0.068 0.000 1.257 237 C CA -0.565 58.504 59.018 0.084 0.000 1.695 237 C CB -0.672 27.174 27.740 0.176 0.000 1.958 237 C HN 0.296 nan 8.230 nan 0.000 0.619 238 R N 2.049 122.472 120.500 -0.128 0.000 2.528 238 R HA 0.303 4.643 4.340 0.000 0.000 0.271 238 R C -0.567 175.557 176.300 -0.294 0.000 1.056 238 R CA 0.112 55.922 56.100 -0.484 0.000 1.117 238 R CB 0.356 30.213 30.300 -0.738 0.000 1.085 238 R HN 0.420 nan 8.270 nan 0.000 0.530 239 N N 1.109 119.619 118.700 -0.317 0.000 4.817 239 N HA -0.138 4.602 4.740 0.000 0.000 0.356 239 N C -0.817 174.637 175.510 -0.094 0.000 1.853 239 N CA 0.391 53.336 53.050 -0.176 0.000 2.785 239 N CB -0.133 38.266 38.487 -0.148 0.000 0.443 239 N HN 0.729 nan 8.380 nan 0.000 0.727 240 K N 0.151 120.512 120.400 -0.064 0.000 2.464 240 K HA 0.211 4.531 4.320 0.000 0.000 0.206 240 K C -0.344 176.241 176.600 -0.025 0.000 1.186 240 K CA 0.100 56.368 56.287 -0.031 0.000 0.990 240 K CB 0.455 32.947 32.500 -0.013 0.000 1.003 240 K HN 0.331 nan 8.250 nan 0.000 0.562 241 N N 2.794 121.473 118.700 -0.034 0.000 2.898 241 N HA 0.208 4.949 4.740 0.000 0.000 0.245 241 N C -2.542 172.948 175.510 -0.033 0.000 1.185 241 N CA -0.731 52.302 53.050 -0.028 0.000 0.879 241 N CB 1.493 39.964 38.487 -0.027 0.000 1.157 241 N HN 0.173 nan 8.380 nan 0.000 0.503 242 P HA 0.437 nan 4.420 nan 0.000 0.284 242 P C -0.551 176.738 177.300 -0.019 0.000 1.287 242 P CA -0.479 62.611 63.100 -0.018 0.000 0.824 242 P CB 1.210 32.903 31.700 -0.012 0.000 1.180 243 A N 0.949 123.764 122.820 -0.009 0.000 2.313 243 A HA 0.531 4.851 4.320 0.000 0.000 0.261 243 A C -2.142 175.440 177.584 -0.003 0.000 1.090 243 A CA -1.283 50.752 52.037 -0.004 0.000 0.807 243 A CB -1.441 17.564 19.000 0.010 0.000 1.055 243 A HN 0.419 nan 8.150 nan 0.000 0.492 244 P HA 0.216 nan 4.420 nan 0.000 0.268 244 P C -2.473 174.832 177.300 0.009 0.000 1.208 244 P CA -0.635 62.467 63.100 0.003 0.000 0.777 244 P CB -0.387 31.318 31.700 0.008 0.000 0.875 245 P HA 0.051 nan 4.420 nan 0.000 0.264 245 P C 0.964 178.271 177.300 0.012 0.000 1.193 245 P CA 0.292 63.398 63.100 0.010 0.000 0.763 245 P CB 0.245 31.952 31.700 0.011 0.000 0.810 246 L N 2.484 123.714 121.223 0.011 0.000 2.043 246 L HA -0.239 4.101 4.340 0.000 0.000 0.212 246 L C 2.043 178.920 176.870 0.012 0.000 1.075 246 L CA 1.967 56.814 54.840 0.012 0.000 0.752 246 L CB -0.695 41.370 42.059 0.010 0.000 0.891 246 L HN 0.543 nan 8.230 nan 0.000 0.432 247 D N -0.044 120.362 120.400 0.010 0.000 2.224 247 D HA -0.150 4.491 4.640 0.000 0.000 0.205 247 D C 1.954 178.261 176.300 0.011 0.000 0.965 247 D CA 1.204 55.210 54.000 0.010 0.000 0.852 247 D CB 0.101 40.906 40.800 0.009 0.000 0.947 247 D HN 0.312 nan 8.370 nan 0.000 0.494 248 A N 1.075 123.902 122.820 0.012 0.000 1.929 248 A HA 0.003 4.323 4.320 0.000 0.000 0.216 248 A C 2.601 180.194 177.584 0.014 0.000 1.176 248 A CA 1.052 53.097 52.037 0.013 0.000 0.628 248 A CB -0.669 18.338 19.000 0.013 0.000 0.816 248 A HN 0.172 nan 8.150 nan 0.000 0.444 249 V N 0.340 120.264 119.914 0.016 0.000 2.358 249 V HA -0.196 3.924 4.120 0.000 0.000 0.246 249 V C 2.523 178.628 176.094 0.018 0.000 1.047 249 V CA 2.020 64.332 62.300 0.020 0.000 1.035 249 V CB -0.689 31.148 31.823 0.024 0.000 0.658 249 V HN 0.490 nan 8.190 nan 0.000 0.452 250 E N -0.133 120.076 120.200 0.015 0.000 2.110 250 E HA -0.257 4.093 4.350 0.000 0.000 0.193 250 E C 2.203 178.810 176.600 0.012 0.000 0.988 250 E CA 1.270 57.678 56.400 0.013 0.000 0.804 250 E CB -0.238 29.468 29.700 0.011 0.000 0.745 250 E HN 0.667 nan 8.360 nan 0.000 0.458 251 Q N 0.047 119.854 119.800 0.012 0.000 2.124 251 Q HA -0.089 4.251 4.340 0.000 0.000 0.202 251 Q C 2.240 178.248 176.000 0.012 0.000 0.977 251 Q CA 0.905 56.715 55.803 0.011 0.000 0.850 251 Q CB 0.050 28.795 28.738 0.012 0.000 0.901 251 Q HN 0.274 nan 8.270 nan 0.000 0.429 252 I N 0.112 120.690 120.570 0.013 0.000 2.480 252 I HA -0.234 3.937 4.170 0.000 0.000 0.251 252 I C 2.105 178.231 176.117 0.016 0.000 1.124 252 I CA 0.322 61.630 61.300 0.013 0.000 1.444 252 I CB -0.114 37.894 38.000 0.013 0.000 1.098 252 I HN 0.235 nan 8.210 nan 0.000 0.428 253 L N 1.092 122.326 121.223 0.017 0.000 2.010 253 L HA -0.234 4.106 4.340 0.000 0.000 0.219 253 L C -0.219 176.664 176.870 0.021 0.000 1.077 253 L CA 2.233 57.085 54.840 0.019 0.000 0.773 253 L CB -1.930 40.140 42.059 0.018 0.000 0.892 253 L HN 0.182 nan 8.230 nan 0.000 0.436 254 P HA -0.168 nan 4.420 nan 0.000 0.215 254 P C 1.574 178.886 177.300 0.020 0.000 1.157 254 P CA 1.706 64.816 63.100 0.016 0.000 0.874 254 P CB -0.075 31.631 31.700 0.011 0.000 0.790 255 T N -0.681 113.883 114.554 0.017 0.000 2.821 255 T HA -0.087 4.263 4.350 0.000 0.000 0.267 255 T C 1.638 176.352 174.700 0.023 0.000 1.046 255 T CA 0.698 62.808 62.100 0.017 0.000 1.139 255 T CB -0.774 68.101 68.868 0.010 0.000 0.871 255 T HN -0.043 nan 8.240 nan 0.000 0.454 256 L N 1.314 122.552 121.223 0.024 0.000 2.046 256 L HA -0.005 4.335 4.340 0.000 0.000 0.208 256 L C 2.442 179.339 176.870 0.045 0.000 1.077 256 L CA 1.368 56.225 54.840 0.027 0.000 0.747 256 L CB -0.746 41.326 42.059 0.022 0.000 0.896 256 L HN 0.090 nan 8.230 nan 0.000 0.432 257 V N -0.539 119.409 119.914 0.056 0.000 2.343 257 V HA -0.291 3.829 4.120 0.000 0.000 0.247 257 V C 2.708 178.906 176.094 0.173 0.000 1.051 257 V CA 1.953 64.314 62.300 0.102 0.000 1.036 257 V CB -0.719 31.154 31.823 0.084 0.000 0.654 257 V HN 0.468 nan 8.190 nan 0.000 0.451 258 R N -0.073 120.490 120.500 0.104 0.000 2.081 258 R HA -0.105 4.235 4.340 0.000 0.000 0.235 258 R C 2.206 178.584 176.300 0.130 0.000 1.131 258 R CA 1.531 57.693 56.100 0.102 0.000 0.960 258 R CB -0.318 30.007 30.300 0.042 0.000 0.856 258 R HN 0.456 nan 8.270 nan 0.000 0.436 259 L N 0.248 121.521 121.223 0.083 0.000 2.141 259 L HA -0.134 4.206 4.340 0.000 0.000 0.209 259 L C 2.117 179.048 176.870 0.103 0.000 1.094 259 L CA 0.370 55.253 54.840 0.071 0.000 0.763 259 L CB -0.315 41.762 42.059 0.029 0.000 0.908 259 L HN 0.242 nan 8.230 nan 0.000 0.437 260 L N -1.007 120.262 121.223 0.076 0.000 2.450 260 L HA -0.176 4.164 4.340 0.000 0.000 0.224 260 L C 2.089 178.889 176.870 -0.117 0.000 1.149 260 L CA 1.660 56.488 54.840 -0.020 0.000 0.816 260 L CB -0.621 41.407 42.059 -0.052 0.000 0.932 260 L HN 0.305 nan 8.230 nan 0.000 0.449 261 H N -3.062 116.038 119.070 0.050 0.000 2.652 261 H HA 0.127 4.683 4.556 0.000 0.000 0.274 261 H C 0.051 175.429 175.328 0.082 0.000 1.021 261 H CA -0.218 55.858 56.048 0.046 0.000 1.187 261 H CB 0.220 30.003 29.762 0.035 0.000 1.505 261 H HN 0.319 nan 8.280 nan 0.000 0.530 262 H N 1.955 121.071 119.070 0.077 0.000 2.671 262 H HA -0.037 4.519 4.556 0.000 0.000 0.372 262 H C 1.254 176.596 175.328 0.025 0.000 1.227 262 H CA 0.357 56.436 56.048 0.051 0.000 1.426 262 H CB 0.863 30.650 29.762 0.041 0.000 1.480 262 H HN 0.277 nan 8.280 nan 0.000 0.611 263 N N 0.282 118.611 118.700 -0.619 0.000 2.373 263 N HA -0.031 4.709 4.740 0.000 0.000 0.181 263 N C -0.478 174.858 175.510 -0.289 0.000 1.082 263 N CA 0.053 52.880 53.050 -0.371 0.000 0.885 263 N CB 0.169 38.468 38.487 -0.312 0.000 0.977 263 N HN 0.530 nan 8.380 nan 0.000 0.462 264 D N 1.163 121.370 120.400 -0.320 0.000 2.383 264 D HA 0.110 4.750 4.640 0.000 0.000 0.252 264 D C -1.228 175.079 176.300 0.011 0.000 1.166 264 D CA -1.987 51.985 54.000 -0.047 0.000 0.879 264 D CB 1.315 42.197 40.800 0.136 0.000 1.164 264 D HN 0.018 nan 8.370 nan 0.000 0.462 265 P HA -0.173 nan 4.420 nan 0.000 0.218 265 P C 0.604 177.922 177.300 0.030 0.000 1.149 265 P CA 1.224 64.327 63.100 0.004 0.000 0.817 265 P CB 0.301 31.998 31.700 -0.005 0.000 0.785 266 E N -0.371 119.854 120.200 0.042 0.000 2.112 266 E HA -0.047 4.304 4.350 0.000 0.000 0.190 266 E C 2.160 178.808 176.600 0.079 0.000 0.979 266 E CA 0.594 57.026 56.400 0.053 0.000 0.814 266 E CB -0.315 29.400 29.700 0.025 0.000 0.762 266 E HN 0.056 nan 8.360 nan 0.000 0.460 267 V N 1.628 121.600 119.914 0.096 0.000 2.427 267 V HA -0.228 3.892 4.120 0.000 0.000 0.248 267 V C 2.273 178.423 176.094 0.093 0.000 1.051 267 V CA 1.321 63.689 62.300 0.113 0.000 1.048 267 V CB -0.321 31.617 31.823 0.193 0.000 0.666 267 V HN 0.254 nan 8.190 nan 0.000 0.456 268 L N -0.218 121.049 121.223 0.073 0.000 2.056 268 L HA -0.121 4.219 4.340 0.000 0.000 0.207 268 L C 2.725 179.596 176.870 0.001 0.000 1.078 268 L CA 1.459 56.312 54.840 0.021 0.000 0.749 268 L CB -0.745 41.307 42.059 -0.011 0.000 0.901 268 L HN 0.359 nan 8.230 nan 0.000 0.433 269 A N 0.097 122.939 122.820 0.036 0.000 1.858 269 A HA -0.244 4.076 4.320 0.000 0.000 0.216 269 A C 1.897 179.588 177.584 0.179 0.000 1.190 269 A CA 2.113 54.188 52.037 0.064 0.000 0.617 269 A CB -0.612 18.478 19.000 0.150 0.000 0.827 269 A HN 0.350 nan 8.150 nan 0.000 0.443 270 D N -0.253 120.286 120.400 0.233 0.000 2.219 270 D HA -0.043 4.597 4.640 0.000 0.000 0.205 270 D C 2.213 178.601 176.300 0.147 0.000 0.970 270 D CA 1.307 55.474 54.000 0.280 0.000 0.851 270 D CB -0.264 40.673 40.800 0.229 0.000 0.943 270 D HN 0.375 nan 8.370 nan 0.000 0.488 271 S N -0.367 115.373 115.700 0.066 0.000 2.368 271 S HA -0.125 4.345 4.470 0.000 0.000 0.224 271 S C 2.208 176.777 174.600 -0.051 0.000 1.029 271 S CA 0.506 58.714 58.200 0.012 0.000 0.988 271 S CB -0.295 62.909 63.200 0.007 0.000 0.838 271 S HN 0.381 nan 8.310 nan 0.000 0.462 272 C N 0.193 119.428 119.300 -0.108 0.000 2.425 272 C HA -0.066 4.394 4.460 0.000 0.000 0.277 272 C C 2.226 177.028 174.990 -0.312 0.000 1.280 272 C CA 0.210 59.089 59.018 -0.232 0.000 1.744 272 C CB -1.492 26.046 27.740 -0.337 0.000 1.989 272 C HN 0.748 nan 8.230 nan 0.000 0.491 273 W N 0.764 121.909 121.300 -0.259 0.000 2.358 273 W HA -0.105 4.555 4.660 0.000 0.000 0.303 273 W C 2.629 178.579 176.519 -0.947 0.000 1.208 273 W CA 1.160 58.189 57.345 -0.527 0.000 1.274 273 W CB -0.494 28.721 29.460 -0.407 0.000 1.138 273 W HN 0.278 nan 8.180 nan 0.000 0.515 274 A N 0.135 122.771 122.820 -0.307 0.000 1.902 274 A HA -0.194 4.126 4.320 0.000 0.000 0.217 274 A C 1.861 179.377 177.584 -0.114 0.000 1.181 274 A CA 1.610 53.537 52.037 -0.182 0.000 0.623 274 A CB -0.811 18.195 19.000 0.010 0.000 0.818 274 A HN 0.166 nan 8.150 nan 0.000 0.443 275 I N 1.055 121.558 120.570 -0.112 0.000 2.286 275 I HA -0.199 3.971 4.170 0.000 0.000 0.248 275 I C 2.855 178.936 176.117 -0.059 0.000 1.115 275 I CA 2.025 63.286 61.300 -0.064 0.000 1.392 275 I CB -1.415 36.540 38.000 -0.076 0.000 1.065 275 I HN 0.554 nan 8.210 nan 0.000 0.418 276 S N 0.695 116.313 115.700 -0.137 0.000 2.402 276 S HA -0.201 4.269 4.470 0.000 0.000 0.229 276 S C 2.119 176.779 174.600 0.100 0.000 1.021 276 S CA 0.880 59.047 58.200 -0.055 0.000 0.974 276 S CB -0.706 62.422 63.200 -0.121 0.000 0.800 276 S HN 0.342 nan 8.310 nan 0.000 0.484 277 Y N 2.095 122.466 120.300 0.119 0.000 2.163 277 Y HA 0.187 4.737 4.550 0.000 0.000 0.288 277 Y C 2.358 178.292 175.900 0.058 0.000 1.136 277 Y CA 0.058 58.214 58.100 0.093 0.000 1.147 277 Y CB -1.028 37.478 38.460 0.077 0.000 0.987 277 Y HN 0.224 nan 8.280 nan 0.000 0.509 278 L N -0.330 121.013 121.223 0.200 0.000 2.191 278 L HA -0.152 4.189 4.340 0.000 0.000 0.212 278 L C 2.034 178.954 176.870 0.083 0.000 1.103 278 L CA 1.840 56.749 54.840 0.116 0.000 0.769 278 L CB -0.965 41.141 42.059 0.078 0.000 0.908 278 L HN 0.329 nan 8.230 nan 0.000 0.438 279 T N -5.163 109.439 114.554 0.080 0.000 3.107 279 T HA -0.014 4.336 4.350 0.000 0.000 0.249 279 T C 0.585 175.335 174.700 0.085 0.000 1.096 279 T CA -0.220 61.917 62.100 0.062 0.000 1.012 279 T CB -0.188 68.705 68.868 0.040 0.000 0.977 279 T HN -0.001 nan 8.240 nan 0.000 0.527 280 D N 1.380 121.847 120.400 0.112 0.000 2.494 280 D HA 0.561 5.202 4.640 0.000 0.000 0.217 280 D C 0.481 176.832 176.300 0.085 0.000 1.153 280 D CA 0.218 54.289 54.000 0.119 0.000 0.954 280 D CB -0.097 40.792 40.800 0.150 0.000 1.034 280 D HN 0.545 nan 8.370 nan 0.000 0.518 281 G N 2.523 111.364 108.800 0.068 0.000 2.360 281 G HA2 0.222 4.182 3.960 0.000 0.000 0.276 281 G HA3 0.222 4.182 3.960 0.000 0.000 0.276 281 G C -2.747 172.174 174.900 0.036 0.000 1.256 281 G CA -0.898 44.231 45.100 0.047 0.000 0.890 281 G HN 0.252 nan 8.290 nan 0.000 0.486 282 P HA 0.210 nan 4.420 nan 0.000 0.268 282 P C 0.740 178.049 177.300 0.015 0.000 1.208 282 P CA -0.099 63.011 63.100 0.017 0.000 0.777 282 P CB 0.382 32.090 31.700 0.014 0.000 0.875 283 N N 0.732 119.437 118.700 0.008 0.000 2.258 283 N HA -0.221 4.520 4.740 0.000 0.000 0.187 283 N C 0.998 176.510 175.510 0.004 0.000 1.012 283 N CA 0.860 53.912 53.050 0.003 0.000 0.870 283 N CB -0.105 38.380 38.487 -0.003 0.000 0.977 283 N HN 0.535 nan 8.380 nan 0.000 0.434 284 E N 0.714 120.918 120.200 0.006 0.000 2.106 284 E HA -0.060 4.291 4.350 0.000 0.000 0.192 284 E C 1.849 178.455 176.600 0.010 0.000 0.984 284 E CA 0.740 57.144 56.400 0.006 0.000 0.806 284 E CB 0.082 29.786 29.700 0.007 0.000 0.750 284 E HN 0.233 nan 8.360 nan 0.000 0.458 285 R N 0.209 120.718 120.500 0.015 0.000 2.090 285 R HA 0.039 4.379 4.340 0.000 0.000 0.228 285 R C 2.373 178.685 176.300 0.020 0.000 1.110 285 R CA 0.788 56.901 56.100 0.020 0.000 0.973 285 R CB -0.492 29.825 30.300 0.028 0.000 0.869 285 R HN 0.296 nan 8.270 nan 0.000 0.440 286 I N 0.775 121.354 120.570 0.016 0.000 2.226 286 I HA -0.242 3.928 4.170 0.000 0.000 0.245 286 I C 2.446 178.566 176.117 0.004 0.000 1.100 286 I CA 1.189 62.495 61.300 0.011 0.000 1.374 286 I CB -0.221 37.782 38.000 0.004 0.000 1.057 286 I HN 0.081 nan 8.210 nan 0.000 0.413 287 E N 1.684 121.886 120.200 0.002 0.000 2.085 287 E HA -0.250 4.101 4.350 0.000 0.000 0.194 287 E C 2.256 178.858 176.600 0.003 0.000 0.994 287 E CA 1.782 58.182 56.400 -0.000 0.000 0.801 287 E CB -0.318 29.382 29.700 -0.001 0.000 0.743 287 E HN 0.506 nan 8.360 nan 0.000 0.453 288 M N -1.394 118.210 119.600 0.007 0.000 2.358 288 M HA -0.072 4.408 4.480 0.000 0.000 0.264 288 M C 1.757 178.063 176.300 0.010 0.000 1.064 288 M CA 1.256 56.561 55.300 0.008 0.000 1.093 288 M CB -0.227 32.380 32.600 0.011 0.000 1.401 288 M HN -0.030 nan 8.290 nan 0.000 0.440 289 V N 0.535 120.455 119.914 0.010 0.000 2.379 289 V HA -0.114 4.006 4.120 0.000 0.000 0.243 289 V C 2.594 178.691 176.094 0.004 0.000 1.035 289 V CA 1.127 63.432 62.300 0.009 0.000 1.035 289 V CB -0.130 31.698 31.823 0.009 0.000 0.673 289 V HN 0.345 nan 8.190 nan 0.000 0.457 290 V N -0.009 119.905 119.914 -0.000 0.000 2.490 290 V HA -0.261 3.859 4.120 0.000 0.000 0.250 290 V C 2.462 178.555 176.094 -0.001 0.000 1.061 290 V CA 1.957 64.254 62.300 -0.004 0.000 1.064 290 V CB -0.670 31.147 31.823 -0.010 0.000 0.670 290 V HN 0.447 nan 8.190 nan 0.000 0.461 291 K N 0.383 120.784 120.400 0.001 0.000 2.211 291 K HA -0.124 4.197 4.320 0.000 0.000 0.204 291 K C 1.847 178.450 176.600 0.005 0.000 1.047 291 K CA 1.022 57.310 56.287 0.002 0.000 0.935 291 K CB -0.110 32.391 32.500 0.002 0.000 0.728 291 K HN 0.230 nan 8.250 nan 0.000 0.452 292 K N -0.598 119.807 120.400 0.009 0.000 2.525 292 K HA 0.095 4.415 4.320 0.000 0.000 0.192 292 K C 0.641 177.252 176.600 0.019 0.000 1.029 292 K CA 0.808 57.103 56.287 0.014 0.000 1.029 292 K CB -0.103 32.408 32.500 0.018 0.000 0.814 292 K HN 0.351 nan 8.250 nan 0.000 0.503 293 G N 1.795 110.604 108.800 0.015 0.000 2.221 293 G HA2 -0.272 3.688 3.960 0.000 0.000 0.265 293 G HA3 -0.272 3.688 3.960 0.000 0.000 0.265 293 G C 0.730 175.651 174.900 0.034 0.000 1.041 293 G CA 0.533 45.645 45.100 0.019 0.000 0.807 293 G HN 0.264 nan 8.290 nan 0.000 0.502 294 V N -3.176 116.754 119.914 0.027 0.000 3.406 294 V HA 0.155 4.275 4.120 0.000 0.000 0.263 294 V C 2.354 178.447 176.094 -0.002 0.000 1.172 294 V CA 1.339 63.656 62.300 0.028 0.000 1.140 294 V CB 0.024 31.854 31.823 0.013 0.000 0.784 294 V HN 0.287 nan 8.190 nan 0.000 0.467 295 V N 1.056 120.966 119.914 -0.006 0.000 2.287 295 V HA -0.144 3.976 4.120 0.000 0.000 0.248 295 V C 0.557 176.639 176.094 -0.020 0.000 1.053 295 V CA 2.990 65.278 62.300 -0.019 0.000 1.027 295 V CB -1.846 29.965 31.823 -0.019 0.000 0.646 295 V HN 0.511 nan 8.190 nan 0.000 0.447 296 P HA -0.206 nan 4.420 nan 0.000 0.216 296 P C 1.747 179.034 177.300 -0.022 0.000 1.153 296 P CA 1.480 64.577 63.100 -0.005 0.000 0.858 296 P CB -0.001 31.708 31.700 0.014 0.000 0.789 297 Q N -0.370 119.411 119.800 -0.031 0.000 2.079 297 Q HA -0.106 4.235 4.340 0.000 0.000 0.200 297 Q C 1.995 177.926 176.000 -0.115 0.000 0.974 297 Q CA 1.525 57.266 55.803 -0.104 0.000 0.840 297 Q CB -1.226 27.391 28.738 -0.201 0.000 0.898 297 Q HN 0.174 nan 8.270 nan 0.000 0.430 298 L N -0.857 120.311 121.223 -0.091 0.000 2.083 298 L HA -0.160 4.181 4.340 0.000 0.000 0.209 298 L C 2.229 179.049 176.870 -0.084 0.000 1.083 298 L CA 0.831 55.614 54.840 -0.096 0.000 0.752 298 L CB -0.450 41.561 42.059 -0.080 0.000 0.899 298 L HN 0.118 nan 8.230 nan 0.000 0.433 299 V N 0.063 119.941 119.914 -0.060 0.000 2.358 299 V HA -0.303 3.817 4.120 0.000 0.000 0.246 299 V C 2.564 178.623 176.094 -0.058 0.000 1.047 299 V CA 1.861 64.133 62.300 -0.047 0.000 1.035 299 V CB -0.498 31.310 31.823 -0.025 0.000 0.658 299 V HN 0.453 nan 8.190 nan 0.000 0.452 300 K N 0.119 120.483 120.400 -0.061 0.000 2.026 300 K HA -0.148 4.172 4.320 0.000 0.000 0.208 300 K C 2.097 178.649 176.600 -0.081 0.000 1.048 300 K CA 1.605 57.854 56.287 -0.063 0.000 0.929 300 K CB -0.235 32.227 32.500 -0.062 0.000 0.713 300 K HN 0.397 nan 8.250 nan 0.000 0.439 301 L N 1.137 122.299 121.223 -0.101 0.000 2.265 301 L HA -0.156 4.185 4.340 0.000 0.000 0.215 301 L C 2.372 179.173 176.870 -0.115 0.000 1.117 301 L CA 0.135 54.908 54.840 -0.111 0.000 0.782 301 L CB -0.342 41.638 42.059 -0.132 0.000 0.914 301 L HN 0.244 nan 8.230 nan 0.000 0.441 302 L N 0.208 121.362 121.223 -0.115 0.000 2.191 302 L HA -0.069 4.271 4.340 0.000 0.000 0.212 302 L C 2.078 178.868 176.870 -0.133 0.000 1.103 302 L CA 1.703 56.463 54.840 -0.133 0.000 0.769 302 L CB -0.650 41.334 42.059 -0.125 0.000 0.908 302 L HN 0.124 nan 8.230 nan 0.000 0.438 303 G N -1.510 107.227 108.800 -0.104 0.000 3.088 303 G HA2 0.321 4.281 3.960 0.000 0.000 0.217 303 G HA3 0.321 4.281 3.960 0.000 0.000 0.217 303 G C 0.685 175.538 174.900 -0.078 0.000 1.159 303 G CA 0.280 45.325 45.100 -0.091 0.000 0.760 303 G HN 0.553 nan 8.290 nan 0.000 0.550 304 A N 0.365 123.136 122.820 -0.081 0.000 2.492 304 A HA 0.401 4.721 4.320 0.000 0.000 0.236 304 A C 1.924 179.472 177.584 -0.061 0.000 1.078 304 A CA 0.924 52.920 52.037 -0.068 0.000 0.773 304 A CB 0.239 19.195 19.000 -0.073 0.000 1.023 304 A HN 0.481 nan 8.150 nan 0.000 0.504 305 T N -0.790 113.736 114.554 -0.048 0.000 2.942 305 T HA 0.034 4.384 4.350 0.000 0.000 0.265 305 T C 0.356 175.034 174.700 -0.036 0.000 1.062 305 T CA 1.189 63.266 62.100 -0.039 0.000 1.139 305 T CB -0.367 68.483 68.868 -0.030 0.000 0.883 305 T HN 0.656 nan 8.240 nan 0.000 0.468 306 E N 1.538 121.716 120.200 -0.035 0.000 2.257 306 E HA 0.343 4.693 4.350 0.000 0.000 0.278 306 E C 0.805 177.387 176.600 -0.031 0.000 1.049 306 E CA -0.350 56.034 56.400 -0.027 0.000 0.876 306 E CB 1.275 30.962 29.700 -0.021 0.000 1.035 306 E HN 0.113 nan 8.360 nan 0.000 0.419 307 L N 6.736 127.948 121.223 -0.019 0.000 2.127 307 L HA -0.039 4.301 4.340 0.000 0.000 0.211 307 L C -1.132 175.737 176.870 -0.003 0.000 1.089 307 L CA 1.829 56.659 54.840 -0.016 0.000 0.757 307 L CB -0.741 41.318 42.059 -0.000 0.000 0.899 307 L HN 0.483 nan 8.230 nan 0.000 0.434 308 P HA -0.071 nan 4.420 nan 0.000 0.223 308 P C 1.771 179.080 177.300 0.015 0.000 1.151 308 P CA 1.431 64.572 63.100 0.068 0.000 0.787 308 P CB 0.096 31.841 31.700 0.075 0.000 0.788 309 I N -2.101 118.443 120.570 -0.044 0.000 2.628 309 I HA -0.086 4.084 4.170 0.000 0.000 0.255 309 I C 2.003 178.022 176.117 -0.163 0.000 1.119 309 I CA 0.595 61.833 61.300 -0.103 0.000 1.448 309 I CB -0.417 37.535 38.000 -0.079 0.000 1.133 309 I HN -0.245 nan 8.210 nan 0.000 0.438 310 V N 0.883 120.719 119.914 -0.129 0.000 2.343 310 V HA -0.263 3.857 4.120 0.000 0.000 0.247 310 V C 2.521 178.505 176.094 -0.183 0.000 1.051 310 V CA 2.393 64.604 62.300 -0.147 0.000 1.036 310 V CB -1.034 30.718 31.823 -0.117 0.000 0.654 310 V HN 0.446 nan 8.190 nan 0.000 0.451 311 T N 1.090 115.544 114.554 -0.166 0.000 2.622 311 T HA -0.119 4.231 4.350 0.000 0.000 0.266 311 T C 0.110 174.556 174.700 -0.424 0.000 1.047 311 T CA 2.205 64.194 62.100 -0.185 0.000 1.159 311 T CB -1.348 67.497 68.868 -0.037 0.000 0.863 311 T HN 0.516 nan 8.240 nan 0.000 0.422 312 P HA 0.090 nan 4.420 nan 0.000 0.219 312 P C 1.369 178.314 177.300 -0.591 0.000 1.150 312 P CA 1.141 63.528 63.100 -1.189 0.000 0.814 312 P CB -0.121 30.444 31.700 -1.891 0.000 0.787 313 A N 0.342 122.921 122.820 -0.401 0.000 1.902 313 A HA -0.153 4.167 4.320 0.000 0.000 0.217 313 A C 2.216 179.691 177.584 -0.181 0.000 1.181 313 A CA 1.492 53.378 52.037 -0.252 0.000 0.623 313 A CB -1.615 17.265 19.000 -0.201 0.000 0.818 313 A HN 0.189 nan 8.150 nan 0.000 0.443 314 L N -0.362 120.758 121.223 -0.172 0.000 2.093 314 L HA -0.061 4.279 4.340 0.000 0.000 0.208 314 L C 2.346 179.212 176.870 -0.007 0.000 1.085 314 L CA 2.345 57.131 54.840 -0.090 0.000 0.755 314 L CB -0.617 41.384 42.059 -0.096 0.000 0.904 314 L HN 0.386 nan 8.230 nan 0.000 0.435 315 R N 0.488 120.955 120.500 -0.055 0.000 2.073 315 R HA -0.058 4.283 4.340 0.000 0.000 0.234 315 R C 2.140 178.481 176.300 0.067 0.000 1.134 315 R CA 1.944 58.080 56.100 0.059 0.000 0.952 315 R CB -1.171 29.090 30.300 -0.065 0.000 0.850 315 R HN 0.443 nan 8.270 nan 0.000 0.433 316 A N 1.059 123.842 122.820 -0.060 0.000 1.883 316 A HA -0.118 4.202 4.320 0.000 0.000 0.217 316 A C 2.201 179.773 177.584 -0.020 0.000 1.186 316 A CA 1.690 53.700 52.037 -0.044 0.000 0.624 316 A CB -0.608 18.328 19.000 -0.107 0.000 0.822 316 A HN 0.333 nan 8.150 nan 0.000 0.444 317 I N -0.007 120.543 120.570 -0.034 0.000 2.208 317 I HA -0.208 3.962 4.170 0.000 0.000 0.245 317 I C 2.665 178.746 176.117 -0.061 0.000 1.097 317 I CA 1.647 62.928 61.300 -0.032 0.000 1.363 317 I CB -1.907 36.090 38.000 -0.005 0.000 1.051 317 I HN 0.376 nan 8.210 nan 0.000 0.413 318 G N 0.852 109.625 108.800 -0.046 0.000 2.432 318 G HA2 -0.237 3.723 3.960 0.000 0.000 0.219 318 G HA3 -0.237 3.723 3.960 0.000 0.000 0.219 318 G C 1.489 176.206 174.900 -0.305 0.000 1.135 318 G CA 0.435 45.367 45.100 -0.280 0.000 0.767 318 G HN 0.336 nan 8.290 nan 0.000 0.550 319 N N 0.639 119.357 118.700 0.029 0.000 2.216 319 N HA 0.006 4.746 4.740 0.000 0.000 0.183 319 N C 2.202 177.703 175.510 -0.014 0.000 1.017 319 N CA 0.543 53.650 53.050 0.095 0.000 0.861 319 N CB -0.197 38.377 38.487 0.145 0.000 0.986 319 N HN 0.333 nan 8.380 nan 0.000 0.428 320 I N 0.962 121.508 120.570 -0.040 0.000 2.361 320 I HA -0.167 4.003 4.170 0.000 0.000 0.251 320 I C 1.795 177.858 176.117 -0.090 0.000 1.133 320 I CA 0.772 62.040 61.300 -0.052 0.000 1.413 320 I CB -0.167 37.806 38.000 -0.047 0.000 1.073 320 I HN -0.009 nan 8.210 nan 0.000 0.424 321 V N -2.124 117.700 119.914 -0.150 0.000 3.573 321 V HA -0.021 4.099 4.120 0.000 0.000 0.270 321 V C 1.984 177.966 176.094 -0.187 0.000 1.221 321 V CA 1.279 63.471 62.300 -0.180 0.000 1.163 321 V CB -1.432 30.247 31.823 -0.240 0.000 0.847 321 V HN 0.520 nan 8.190 nan 0.000 0.468 322 T N -2.738 111.720 114.554 -0.160 0.000 3.129 322 T HA 0.356 4.706 4.350 0.000 0.000 0.251 322 T C 1.180 175.843 174.700 -0.061 0.000 1.117 322 T CA 0.565 62.597 62.100 -0.113 0.000 1.034 322 T CB -0.002 68.842 68.868 -0.040 0.000 0.968 322 T HN 0.647 nan 8.240 nan 0.000 0.526 323 G N 1.976 110.740 108.800 -0.060 0.000 2.624 323 G HA2 0.447 4.407 3.960 0.000 0.000 0.217 323 G HA3 0.447 4.407 3.960 0.000 0.000 0.217 323 G C 0.235 175.109 174.900 -0.043 0.000 1.506 323 G CA 0.001 45.078 45.100 -0.039 0.000 1.072 323 G HN 0.571 nan 8.290 nan 0.000 0.568 324 T N -1.763 112.770 114.554 -0.036 0.000 2.828 324 T HA 0.223 4.573 4.350 0.000 0.000 0.290 324 T C 0.670 175.344 174.700 -0.044 0.000 1.019 324 T CA 0.043 62.122 62.100 -0.035 0.000 1.031 324 T CB 1.230 70.082 68.868 -0.026 0.000 1.001 324 T HN 0.293 nan 8.240 nan 0.000 0.531 325 D N 0.835 121.209 120.400 -0.043 0.000 2.182 325 D HA -0.095 4.545 4.640 0.000 0.000 0.201 325 D C 1.822 178.094 176.300 -0.046 0.000 0.986 325 D CA 1.230 55.200 54.000 -0.049 0.000 0.847 325 D CB -0.073 40.701 40.800 -0.044 0.000 0.942 325 D HN 0.675 nan 8.370 nan 0.000 0.467 326 E N 0.858 121.035 120.200 -0.037 0.000 2.047 326 E HA -0.132 4.218 4.350 0.000 0.000 0.191 326 E C 2.207 178.785 176.600 -0.036 0.000 0.987 326 E CA 0.844 57.224 56.400 -0.033 0.000 0.799 326 E CB -0.215 29.470 29.700 -0.025 0.000 0.752 326 E HN 0.387 nan 8.360 nan 0.000 0.449 327 Q N -0.359 119.419 119.800 -0.037 0.000 2.119 327 Q HA -0.081 4.259 4.340 0.000 0.000 0.201 327 Q C 2.091 178.059 176.000 -0.053 0.000 0.972 327 Q CA 1.639 57.419 55.803 -0.039 0.000 0.847 327 Q CB -0.101 28.615 28.738 -0.036 0.000 0.903 327 Q HN 0.231 nan 8.270 nan 0.000 0.433 328 T N 0.755 115.270 114.554 -0.065 0.000 2.746 328 T HA -0.193 4.157 4.350 0.000 0.000 0.267 328 T C 1.730 176.382 174.700 -0.080 0.000 1.039 328 T CA 1.398 63.447 62.100 -0.086 0.000 1.142 328 T CB -0.177 68.632 68.868 -0.098 0.000 0.866 328 T HN 0.153 nan 8.240 nan 0.000 0.444 329 Q N 1.077 120.838 119.800 -0.064 0.000 2.234 329 Q HA -0.090 4.250 4.340 0.000 0.000 0.206 329 Q C 2.058 178.029 176.000 -0.048 0.000 0.980 329 Q CA 1.357 57.126 55.803 -0.056 0.000 0.869 329 Q CB -0.135 28.576 28.738 -0.044 0.000 0.912 329 Q HN 0.199 nan 8.270 nan 0.000 0.436 330 K N -0.409 119.964 120.400 -0.044 0.000 2.097 330 K HA -0.077 4.243 4.320 0.000 0.000 0.205 330 K C 2.048 178.624 176.600 -0.040 0.000 1.050 330 K CA 1.418 57.684 56.287 -0.035 0.000 0.938 330 K CB -0.933 31.549 32.500 -0.030 0.000 0.718 330 K HN 0.394 nan 8.250 nan 0.000 0.442 331 V N -1.058 118.824 119.914 -0.054 0.000 2.427 331 V HA -0.137 3.983 4.120 0.000 0.000 0.248 331 V C 2.180 178.234 176.094 -0.067 0.000 1.051 331 V CA 1.152 63.418 62.300 -0.056 0.000 1.048 331 V CB -0.635 31.147 31.823 -0.070 0.000 0.666 331 V HN 0.087 nan 8.190 nan 0.000 0.456 332 I N 0.857 121.376 120.570 -0.084 0.000 2.179 332 I HA -0.172 3.998 4.170 0.000 0.000 0.242 332 I C 2.505 178.594 176.117 -0.047 0.000 1.088 332 I CA 2.069 63.313 61.300 -0.093 0.000 1.357 332 I CB -0.667 37.280 38.000 -0.089 0.000 1.051 332 I HN 0.276 nan 8.210 nan 0.000 0.409 333 D N 1.238 121.619 120.400 -0.031 0.000 2.182 333 D HA -0.148 4.492 4.640 0.000 0.000 0.201 333 D C 2.133 178.429 176.300 -0.007 0.000 0.986 333 D CA 1.488 55.480 54.000 -0.012 0.000 0.847 333 D CB -0.145 40.647 40.800 -0.013 0.000 0.942 333 D HN 0.360 nan 8.370 nan 0.000 0.467 334 A N -0.191 122.620 122.820 -0.015 0.000 2.209 334 A HA 0.299 4.619 4.320 0.000 0.000 0.212 334 A C 1.738 179.320 177.584 -0.003 0.000 1.158 334 A CA 1.301 53.332 52.037 -0.009 0.000 0.742 334 A CB -0.281 18.711 19.000 -0.014 0.000 0.790 334 A HN 0.288 nan 8.150 nan 0.000 0.472 335 G N -2.291 106.506 108.800 -0.006 0.000 2.142 335 G HA2 0.013 3.974 3.960 0.000 0.000 0.225 335 G HA3 0.013 3.974 3.960 0.000 0.000 0.225 335 G C 0.976 175.869 174.900 -0.011 0.000 1.015 335 G CA 0.813 45.916 45.100 0.006 0.000 0.716 335 G HN 1.312 nan 8.290 nan 0.000 0.508 336 A N -0.212 122.593 122.820 -0.025 0.000 1.933 336 A HA 0.224 4.544 4.320 0.000 0.000 0.218 336 A C 2.438 180.081 177.584 0.098 0.000 1.175 336 A CA 1.756 53.820 52.037 0.045 0.000 0.628 336 A CB -0.288 18.750 19.000 0.063 0.000 0.814 336 A HN 0.889 nan 8.150 nan 0.000 0.444 337 L N -0.779 120.340 121.223 -0.174 0.000 2.187 337 L HA -0.211 4.129 4.340 0.000 0.000 0.213 337 L C 2.883 179.687 176.870 -0.110 0.000 1.100 337 L CA 0.886 55.526 54.840 -0.335 0.000 0.765 337 L CB -0.559 40.935 42.059 -0.941 0.000 0.904 337 L HN 0.452 nan 8.230 nan 0.000 0.437 338 A N -0.484 122.317 122.820 -0.032 0.000 2.121 338 A HA -0.045 4.275 4.320 0.000 0.000 0.218 338 A C 2.107 179.722 177.584 0.051 0.000 1.154 338 A CA 1.116 53.215 52.037 0.104 0.000 0.679 338 A CB -0.368 18.705 19.000 0.121 0.000 0.795 338 A HN 0.269 nan 8.150 nan 0.000 0.458 339 V N -2.004 117.942 119.914 0.053 0.000 3.354 339 V HA -0.014 4.106 4.120 0.000 0.000 0.258 339 V C 1.838 177.824 176.094 -0.181 0.000 1.159 339 V CA 0.610 62.868 62.300 -0.070 0.000 1.125 339 V CB -0.954 30.789 31.823 -0.133 0.000 0.774 339 V HN 0.500 nan 8.190 nan 0.000 0.464 340 F N 0.659 120.498 119.950 -0.185 0.000 2.269 340 F HA 0.009 4.537 4.527 0.000 0.000 0.301 340 F C -0.043 175.508 175.800 -0.415 0.000 1.082 340 F CA 0.946 58.808 58.000 -0.230 0.000 1.360 340 F CB -1.872 37.016 39.000 -0.187 0.000 1.041 340 F HN 0.298 nan 8.300 nan 0.000 0.512 341 P HA -0.181 nan 4.420 nan 0.000 0.216 341 P C 1.964 178.889 177.300 -0.624 0.000 1.150 341 P CA 1.941 64.352 63.100 -1.148 0.000 0.837 341 P CB -0.004 31.281 31.700 -0.691 0.000 0.786 342 S N -1.356 114.157 115.700 -0.311 0.000 2.377 342 S HA -0.038 4.432 4.470 0.000 0.000 0.223 342 S C 1.780 176.273 174.600 -0.178 0.000 1.030 342 S CA 0.774 58.868 58.200 -0.176 0.000 0.970 342 S CB -0.966 62.154 63.200 -0.134 0.000 0.830 342 S HN -0.043 nan 8.310 nan 0.000 0.473 343 L N 1.055 122.115 121.223 -0.271 0.000 2.093 343 L HA 0.015 4.356 4.340 0.000 0.000 0.208 343 L C 2.110 178.888 176.870 -0.153 0.000 1.085 343 L CA 0.915 55.586 54.840 -0.281 0.000 0.755 343 L CB -0.456 41.260 42.059 -0.572 0.000 0.904 343 L HN 0.320 nan 8.230 nan 0.000 0.435 344 L N -0.478 120.674 121.223 -0.118 0.000 2.552 344 L HA -0.053 4.287 4.340 0.000 0.000 0.227 344 L C 1.622 178.544 176.870 0.087 0.000 1.146 344 L CA 0.998 55.853 54.840 0.025 0.000 0.858 344 L CB -0.552 41.562 42.059 0.091 0.000 0.969 344 L HN 0.411 nan 8.230 nan 0.000 0.451 345 T N -5.791 108.794 114.554 0.051 0.000 3.145 345 T HA 0.113 4.463 4.350 0.000 0.000 0.281 345 T C 0.420 175.144 174.700 0.040 0.000 1.003 345 T CA -0.514 61.642 62.100 0.094 0.000 0.901 345 T CB -0.393 68.574 68.868 0.164 0.000 1.112 345 T HN 0.034 nan 8.240 nan 0.000 0.535 346 N N 2.889 121.590 118.700 0.002 0.000 2.412 346 N HA 0.161 4.902 4.740 0.000 0.000 0.254 346 N C -1.662 173.852 175.510 0.008 0.000 1.232 346 N CA -1.280 51.763 53.050 -0.012 0.000 0.880 346 N CB 0.995 39.459 38.487 -0.039 0.000 1.076 346 N HN -0.053 nan 8.380 nan 0.000 0.458 347 P HA -0.111 nan 4.420 nan 0.000 0.220 347 P C -0.501 176.808 177.300 0.015 0.000 1.148 347 P CA 1.163 64.272 63.100 0.015 0.000 0.803 347 P CB 0.256 31.963 31.700 0.011 0.000 0.782 348 K N 0.026 120.432 120.400 0.009 0.000 2.310 348 K HA 0.088 4.408 4.320 0.000 0.000 0.290 348 K C 1.365 177.976 176.600 0.018 0.000 1.077 348 K CA 0.131 56.426 56.287 0.013 0.000 0.922 348 K CB -0.416 32.089 32.500 0.008 0.000 1.057 348 K HN -0.074 nan 8.250 nan 0.000 0.479 349 T N 1.852 116.422 114.554 0.026 0.000 2.803 349 T HA -0.226 4.125 4.350 0.000 0.000 0.269 349 T C 1.456 176.175 174.700 0.032 0.000 1.052 349 T CA 2.099 64.218 62.100 0.032 0.000 1.136 349 T CB -0.273 68.617 68.868 0.038 0.000 0.864 349 T HN 0.734 nan 8.240 nan 0.000 0.467 350 N N 0.853 119.572 118.700 0.030 0.000 2.188 350 N HA -0.058 4.683 4.740 0.000 0.000 0.184 350 N C 1.891 177.420 175.510 0.031 0.000 1.018 350 N CA 1.337 54.406 53.050 0.032 0.000 0.858 350 N CB -0.519 37.991 38.487 0.039 0.000 0.989 350 N HN 0.380 nan 8.380 nan 0.000 0.426 351 I N 0.734 121.314 120.570 0.017 0.000 2.252 351 I HA -0.179 3.992 4.170 0.000 0.000 0.245 351 I C 2.458 178.578 176.117 0.005 0.000 1.102 351 I CA 1.195 62.493 61.300 -0.005 0.000 1.385 351 I CB -1.397 36.582 38.000 -0.035 0.000 1.064 351 I HN 0.470 nan 8.210 nan 0.000 0.414 352 Q N 0.726 120.537 119.800 0.018 0.000 2.084 352 Q HA -0.223 4.117 4.340 0.000 0.000 0.202 352 Q C 2.366 178.409 176.000 0.073 0.000 0.978 352 Q CA 1.565 57.391 55.803 0.037 0.000 0.844 352 Q CB 0.083 28.846 28.738 0.042 0.000 0.898 352 Q HN 0.278 nan 8.270 nan 0.000 0.426 353 K N 0.306 120.748 120.400 0.069 0.000 2.002 353 K HA -0.169 4.152 4.320 0.000 0.000 0.209 353 K C 1.774 178.469 176.600 0.158 0.000 1.048 353 K CA 1.451 57.790 56.287 0.087 0.000 0.930 353 K CB 0.029 32.556 32.500 0.045 0.000 0.714 353 K HN 0.282 nan 8.250 nan 0.000 0.438 354 E N 0.044 120.336 120.200 0.153 0.000 2.204 354 E HA -0.156 4.194 4.350 0.000 0.000 0.195 354 E C 1.864 178.668 176.600 0.341 0.000 0.990 354 E CA 0.882 57.460 56.400 0.297 0.000 0.821 354 E CB -0.009 29.814 29.700 0.206 0.000 0.750 354 E HN 0.346 nan 8.360 nan 0.000 0.477 355 A N 1.138 124.075 122.820 0.195 0.000 1.897 355 A HA -0.108 4.212 4.320 0.000 0.000 0.215 355 A C 2.413 180.184 177.584 0.311 0.000 1.181 355 A CA 1.634 53.797 52.037 0.211 0.000 0.620 355 A CB -0.654 18.356 19.000 0.017 0.000 0.821 355 A HN 0.158 nan 8.150 nan 0.000 0.443 356 T N -1.439 113.257 114.554 0.236 0.000 2.777 356 T HA -0.173 4.177 4.350 0.000 0.000 0.266 356 T C 1.503 176.335 174.700 0.219 0.000 1.040 356 T CA 1.389 63.613 62.100 0.206 0.000 1.141 356 T CB -0.363 68.605 68.868 0.166 0.000 0.868 356 T HN 0.757 nan 8.240 nan 0.000 0.444 357 W N 2.375 123.715 121.300 0.066 0.000 2.335 357 W HA -0.196 4.464 4.660 0.000 0.000 0.311 357 W C 2.088 178.625 176.519 0.031 0.000 1.213 357 W CA 1.637 59.000 57.345 0.030 0.000 1.274 357 W CB -1.053 28.411 29.460 0.007 0.000 1.148 357 W HN 0.105 nan 8.180 nan 0.000 0.498 358 T N 1.417 115.884 114.554 -0.145 0.000 2.746 358 T HA -0.226 4.125 4.350 0.000 0.000 0.267 358 T C 1.885 176.420 174.700 -0.274 0.000 1.039 358 T CA 1.947 63.822 62.100 -0.375 0.000 1.142 358 T CB -0.390 68.462 68.868 -0.027 0.000 0.866 358 T HN 0.053 nan 8.240 nan 0.000 0.444 359 M N 1.881 121.410 119.600 -0.117 0.000 2.159 359 M HA -0.054 4.426 4.480 0.000 0.000 0.263 359 M C 2.769 179.011 176.300 -0.098 0.000 1.063 359 M CA 1.472 56.680 55.300 -0.154 0.000 1.110 359 M CB -1.490 31.088 32.600 -0.037 0.000 1.374 359 M HN 0.429 nan 8.290 nan 0.000 0.411 360 S N 0.461 116.132 115.700 -0.050 0.000 2.399 360 S HA -0.110 4.360 4.470 0.000 0.000 0.231 360 S C 1.571 176.126 174.600 -0.074 0.000 1.022 360 S CA 1.213 59.417 58.200 0.007 0.000 0.983 360 S CB -0.528 62.726 63.200 0.091 0.000 0.803 360 S HN 0.452 nan 8.310 nan 0.000 0.480 361 N N 1.056 119.626 118.700 -0.217 0.000 2.467 361 N HA 0.260 5.001 4.740 0.000 0.000 0.184 361 N C 1.411 176.809 175.510 -0.186 0.000 1.106 361 N CA 0.628 53.539 53.050 -0.232 0.000 0.892 361 N CB -0.132 38.123 38.487 -0.388 0.000 0.969 361 N HN 0.536 nan 8.380 nan 0.000 0.454 362 I N 0.264 120.724 120.570 -0.183 0.000 2.731 362 I HA -0.105 4.065 4.170 0.000 0.000 0.260 362 I C 1.925 177.978 176.117 -0.106 0.000 1.138 362 I CA 0.859 62.059 61.300 -0.167 0.000 1.461 362 I CB -0.189 37.673 38.000 -0.230 0.000 1.128 362 I HN 0.076 nan 8.210 nan 0.000 0.438 363 T N -0.934 113.586 114.554 -0.056 0.000 3.113 363 T HA 0.087 4.438 4.350 0.000 0.000 0.263 363 T C 1.574 176.267 174.700 -0.012 0.000 1.143 363 T CA 0.741 62.840 62.100 -0.001 0.000 1.090 363 T CB -0.092 68.857 68.868 0.134 0.000 0.922 363 T HN 0.277 nan 8.240 nan 0.000 0.521 364 A N 0.819 123.626 122.820 -0.023 0.000 2.251 364 A HA 0.634 4.955 4.320 0.000 0.000 0.209 364 A C 1.519 179.079 177.584 -0.041 0.000 1.187 364 A CA 0.158 52.188 52.037 -0.013 0.000 0.823 364 A CB -0.690 18.303 19.000 -0.011 0.000 0.846 364 A HN 0.607 nan 8.150 nan 0.000 0.486 365 G N -0.265 108.496 108.800 -0.065 0.000 2.504 365 G HA2 0.401 4.361 3.960 0.000 0.000 0.257 365 G HA3 0.401 4.361 3.960 0.000 0.000 0.257 365 G C 0.168 175.025 174.900 -0.072 0.000 1.451 365 G CA -0.874 44.184 45.100 -0.071 0.000 1.059 365 G HN 0.475 nan 8.290 nan 0.000 0.550 366 R N -0.413 120.044 120.500 -0.071 0.000 2.707 366 R HA 0.130 4.470 4.340 0.000 0.000 0.270 366 R C 1.682 177.928 176.300 -0.091 0.000 1.083 366 R CA -0.210 55.848 56.100 -0.070 0.000 1.182 366 R CB 0.614 30.879 30.300 -0.058 0.000 1.084 366 R HN 0.583 nan 8.270 nan 0.000 0.528 367 Q N 1.158 120.904 119.800 -0.090 0.000 2.124 367 Q HA -0.197 4.143 4.340 0.000 0.000 0.202 367 Q C 1.383 177.322 176.000 -0.102 0.000 0.977 367 Q CA 1.803 57.538 55.803 -0.113 0.000 0.850 367 Q CB -0.049 28.634 28.738 -0.093 0.000 0.901 367 Q HN 0.696 nan 8.270 nan 0.000 0.429 368 D N 0.240 120.595 120.400 -0.076 0.000 2.264 368 D HA -0.191 4.449 4.640 0.000 0.000 0.208 368 D C 1.468 177.731 176.300 -0.062 0.000 0.966 368 D CA 0.889 54.851 54.000 -0.062 0.000 0.864 368 D CB -0.041 40.730 40.800 -0.048 0.000 0.933 368 D HN 0.370 nan 8.370 nan 0.000 0.499 369 Q N 0.048 119.803 119.800 -0.074 0.000 2.163 369 Q HA 0.121 4.461 4.340 0.000 0.000 0.198 369 Q C 2.618 178.567 176.000 -0.085 0.000 0.954 369 Q CA 0.328 56.086 55.803 -0.075 0.000 0.851 369 Q CB 0.317 29.005 28.738 -0.084 0.000 0.928 369 Q HN 0.331 nan 8.270 nan 0.000 0.459 370 I N 0.878 121.376 120.570 -0.120 0.000 2.361 370 I HA -0.268 3.902 4.170 0.000 0.000 0.251 370 I C 2.442 178.499 176.117 -0.101 0.000 1.133 370 I CA 0.930 62.132 61.300 -0.164 0.000 1.413 370 I CB -0.073 37.718 38.000 -0.348 0.000 1.073 370 I HN 0.214 nan 8.210 nan 0.000 0.424 371 Q N 0.837 120.582 119.800 -0.092 0.000 2.124 371 Q HA -0.216 4.124 4.340 0.000 0.000 0.202 371 Q C 2.175 178.169 176.000 -0.010 0.000 0.977 371 Q CA 1.634 57.400 55.803 -0.061 0.000 0.850 371 Q CB -0.107 28.590 28.738 -0.068 0.000 0.901 371 Q HN 0.422 nan 8.270 nan 0.000 0.429 372 Q N -0.734 119.072 119.800 0.010 0.000 2.124 372 Q HA -0.097 4.243 4.340 0.000 0.000 0.202 372 Q C 2.140 178.244 176.000 0.172 0.000 0.977 372 Q CA 1.552 57.413 55.803 0.097 0.000 0.850 372 Q CB -0.191 28.582 28.738 0.059 0.000 0.901 372 Q HN 0.323 nan 8.270 nan 0.000 0.429 373 V N 0.527 120.485 119.914 0.073 0.000 2.343 373 V HA -0.214 3.906 4.120 0.000 0.000 0.247 373 V C 2.458 178.658 176.094 0.177 0.000 1.051 373 V CA 1.337 63.692 62.300 0.091 0.000 1.036 373 V CB -0.548 31.324 31.823 0.082 0.000 0.654 373 V HN 0.105 nan 8.190 nan 0.000 0.451 374 V N 0.537 120.543 119.914 0.153 0.000 2.270 374 V HA -0.279 3.842 4.120 0.000 0.000 0.245 374 V C 2.085 178.214 176.094 0.060 0.000 1.043 374 V CA 2.495 64.874 62.300 0.130 0.000 1.014 374 V CB -0.987 30.821 31.823 -0.024 0.000 0.645 374 V HN 0.635 nan 8.190 nan 0.000 0.447 375 N N -0.559 118.149 118.700 0.013 0.000 2.205 375 N HA -0.206 4.534 4.740 0.000 0.000 0.186 375 N C 1.521 176.989 175.510 -0.071 0.000 1.015 375 N CA 1.295 54.310 53.050 -0.057 0.000 0.862 375 N CB -0.201 38.223 38.487 -0.104 0.000 0.986 375 N HN 0.597 nan 8.380 nan 0.000 0.429 376 H N -0.563 118.530 119.070 0.038 0.000 2.543 376 H HA 0.168 4.724 4.556 0.000 0.000 0.269 376 H C 1.135 176.535 175.328 0.119 0.000 1.005 376 H CA 0.464 56.547 56.048 0.058 0.000 1.146 376 H CB -0.020 29.761 29.762 0.032 0.000 1.353 376 H HN 0.264 nan 8.280 nan 0.000 0.595 377 G N 0.730 109.664 108.800 0.222 0.000 2.249 377 G HA2 -0.299 3.661 3.960 0.000 0.000 0.273 377 G HA3 -0.299 3.661 3.960 0.000 0.000 0.273 377 G C 0.841 175.967 174.900 0.376 0.000 1.036 377 G CA 0.561 45.823 45.100 0.270 0.000 0.824 377 G HN 0.470 nan 8.290 nan 0.000 0.504 378 L N -0.695 120.730 121.223 0.335 0.000 2.446 378 L HA 0.058 4.398 4.340 0.000 0.000 0.219 378 L C 2.752 179.804 176.870 0.302 0.000 1.116 378 L CA 0.373 55.426 54.840 0.355 0.000 0.844 378 L CB -0.184 41.990 42.059 0.192 0.000 0.970 378 L HN 0.252 nan 8.230 nan 0.000 0.457 379 V N 0.893 120.955 119.914 0.247 0.000 2.295 379 V HA -0.166 3.954 4.120 0.000 0.000 0.246 379 V C -0.136 175.976 176.094 0.029 0.000 1.049 379 V CA 2.019 64.388 62.300 0.114 0.000 1.024 379 V CB -1.379 30.509 31.823 0.109 0.000 0.648 379 V HN 0.334 nan 8.190 nan 0.000 0.447 380 P HA -0.133 nan 4.420 nan 0.000 0.218 380 P C 1.528 178.733 177.300 -0.157 0.000 1.148 380 P CA 1.476 64.504 63.100 -0.121 0.000 0.822 380 P CB -0.112 31.485 31.700 -0.172 0.000 0.784 381 F N -1.284 118.684 119.950 0.030 0.000 2.259 381 F HA -0.068 4.459 4.527 0.000 0.000 0.298 381 F C 2.182 177.999 175.800 0.029 0.000 1.088 381 F CA 1.101 59.126 58.000 0.040 0.000 1.358 381 F CB -0.982 38.062 39.000 0.074 0.000 1.040 381 F HN -0.181 nan 8.300 nan 0.000 0.505 382 L N -1.058 120.270 121.223 0.174 0.000 2.093 382 L HA -0.170 4.170 4.340 0.000 0.000 0.208 382 L C 2.306 179.188 176.870 0.019 0.000 1.085 382 L CA 0.605 55.499 54.840 0.089 0.000 0.755 382 L CB -0.716 41.368 42.059 0.042 0.000 0.904 382 L HN -0.056 nan 8.230 nan 0.000 0.435 383 V N 0.210 120.106 119.914 -0.030 0.000 2.490 383 V HA -0.201 3.919 4.120 0.000 0.000 0.250 383 V C 2.581 178.651 176.094 -0.041 0.000 1.061 383 V CA 1.921 64.182 62.300 -0.064 0.000 1.064 383 V CB -1.140 30.619 31.823 -0.106 0.000 0.670 383 V HN 0.570 nan 8.190 nan 0.000 0.461 384 G N -0.396 108.384 108.800 -0.032 0.000 2.404 384 G HA2 -0.186 3.774 3.960 0.000 0.000 0.215 384 G HA3 -0.186 3.774 3.960 0.000 0.000 0.215 384 G C 1.680 176.595 174.900 0.026 0.000 1.174 384 G CA 1.104 46.193 45.100 -0.018 0.000 0.780 384 G HN 0.366 nan 8.290 nan 0.000 0.537 385 V N 0.500 120.450 119.914 0.061 0.000 2.407 385 V HA -0.099 4.022 4.120 0.000 0.000 0.248 385 V C 2.712 178.827 176.094 0.035 0.000 1.055 385 V CA 1.495 63.833 62.300 0.064 0.000 1.049 385 V CB -0.250 31.626 31.823 0.089 0.000 0.662 385 V HN 0.318 nan 8.190 nan 0.000 0.455 386 L N -0.256 120.977 121.223 0.018 0.000 2.141 386 L HA -0.098 4.242 4.340 0.000 0.000 0.209 386 L C 2.467 179.340 176.870 0.005 0.000 1.094 386 L CA 1.966 56.806 54.840 0.001 0.000 0.763 386 L CB -0.432 41.615 42.059 -0.020 0.000 0.908 386 L HN 0.272 nan 8.230 nan 0.000 0.437 387 S N -1.238 114.464 115.700 0.002 0.000 2.387 387 S HA -0.043 4.427 4.470 0.000 0.000 0.226 387 S C 0.823 175.435 174.600 0.020 0.000 1.026 387 S CA 0.760 58.962 58.200 0.003 0.000 0.972 387 S CB -0.021 63.172 63.200 -0.011 0.000 0.814 387 S HN 0.339 nan 8.310 nan 0.000 0.477 388 K N 0.070 120.486 120.400 0.027 0.000 2.616 388 K HA 0.581 4.901 4.320 0.000 0.000 0.255 388 K C -1.640 174.987 176.600 0.046 0.000 0.995 388 K CA -0.212 56.097 56.287 0.037 0.000 0.860 388 K CB 1.366 33.883 32.500 0.029 0.000 1.264 388 K HN 0.192 nan 8.250 nan 0.000 0.451 389 A N 2.878 125.731 122.820 0.056 0.000 2.490 389 A HA 0.281 4.601 4.320 0.000 0.000 0.292 389 A C -1.841 175.787 177.584 0.074 0.000 1.047 389 A CA -0.843 51.229 52.037 0.058 0.000 0.632 389 A CB 0.829 19.859 19.000 0.050 0.000 1.323 389 A HN 0.787 nan 8.150 nan 0.000 0.448 390 D N -0.549 119.894 120.400 0.071 0.000 2.423 390 D HA 0.258 4.898 4.640 0.000 0.000 0.238 390 D C 0.927 177.295 176.300 0.112 0.000 1.142 390 D CA 0.286 54.344 54.000 0.096 0.000 0.884 390 D CB 0.183 41.029 40.800 0.077 0.000 1.199 390 D HN 0.489 nan 8.370 nan 0.000 0.438 391 F N 3.056 123.029 119.950 0.039 0.000 2.120 391 F HA -0.171 4.356 4.527 0.000 0.000 0.300 391 F C 1.897 177.731 175.800 0.057 0.000 1.095 391 F CA 1.615 59.641 58.000 0.043 0.000 1.249 391 F CB 0.008 39.030 39.000 0.036 0.000 0.995 391 F HN 0.420 nan 8.300 nan 0.000 0.480 392 K N -0.790 119.579 120.400 -0.051 0.000 2.147 392 K HA -0.132 4.188 4.320 0.000 0.000 0.205 392 K C 1.954 178.481 176.600 -0.122 0.000 1.049 392 K CA 1.759 57.975 56.287 -0.117 0.000 0.936 392 K CB -0.414 32.098 32.500 0.020 0.000 0.722 392 K HN 0.279 nan 8.250 nan 0.000 0.446 393 T N 1.293 115.810 114.554 -0.061 0.000 2.812 393 T HA -0.112 4.238 4.350 0.000 0.000 0.264 393 T C 1.753 176.425 174.700 -0.047 0.000 1.042 393 T CA 0.990 63.083 62.100 -0.011 0.000 1.140 393 T CB -0.042 68.843 68.868 0.028 0.000 0.870 393 T HN 0.277 nan 8.240 nan 0.000 0.445 394 Q N 0.647 120.371 119.800 -0.125 0.000 2.170 394 Q HA -0.106 4.235 4.340 0.000 0.000 0.203 394 Q C 2.317 178.199 176.000 -0.197 0.000 0.976 394 Q CA 1.169 56.888 55.803 -0.139 0.000 0.858 394 Q CB -0.142 28.515 28.738 -0.135 0.000 0.907 394 Q HN 0.422 nan 8.270 nan 0.000 0.433 395 K N 0.550 120.736 120.400 -0.355 0.000 2.097 395 K HA -0.158 4.162 4.320 0.000 0.000 0.205 395 K C 1.824 178.482 176.600 0.097 0.000 1.050 395 K CA 0.995 57.147 56.287 -0.225 0.000 0.938 395 K CB 0.264 32.580 32.500 -0.308 0.000 0.718 395 K HN 0.047 nan 8.250 nan 0.000 0.442 396 E N 0.284 120.554 120.200 0.117 0.000 2.106 396 E HA -0.142 4.208 4.350 0.000 0.000 0.192 396 E C 1.895 178.627 176.600 0.221 0.000 0.984 396 E CA 1.100 57.647 56.400 0.245 0.000 0.806 396 E CB -0.179 29.642 29.700 0.202 0.000 0.750 396 E HN 0.410 nan 8.360 nan 0.000 0.458 397 A N 1.486 124.373 122.820 0.113 0.000 1.902 397 A HA -0.065 4.255 4.320 0.000 0.000 0.217 397 A C 2.427 180.048 177.584 0.062 0.000 1.181 397 A CA 1.927 54.013 52.037 0.082 0.000 0.623 397 A CB -0.544 18.479 19.000 0.039 0.000 0.818 397 A HN 0.260 nan 8.150 nan 0.000 0.443 398 A N -1.410 121.419 122.820 0.016 0.000 1.902 398 A HA -0.174 4.146 4.320 0.000 0.000 0.217 398 A C 1.992 179.549 177.584 -0.044 0.000 1.181 398 A CA 1.388 53.387 52.037 -0.063 0.000 0.623 398 A CB -0.885 18.024 19.000 -0.152 0.000 0.818 398 A HN 0.750 nan 8.150 nan 0.000 0.443 399 W N -0.384 120.923 121.300 0.012 0.000 2.381 399 W HA -0.040 4.620 4.660 0.000 0.000 0.301 399 W C 2.799 179.341 176.519 0.038 0.000 1.205 399 W CA 1.423 58.788 57.345 0.033 0.000 1.285 399 W CB -0.162 29.332 29.460 0.056 0.000 1.133 399 W HN 0.386 nan 8.180 nan 0.000 0.521 400 A N 0.058 123.044 122.820 0.277 0.000 1.908 400 A HA -0.210 4.110 4.320 0.000 0.000 0.218 400 A C 1.857 179.531 177.584 0.150 0.000 1.181 400 A CA 1.730 53.876 52.037 0.181 0.000 0.627 400 A CB -0.777 18.301 19.000 0.129 0.000 0.818 400 A HN 0.177 nan 8.150 nan 0.000 0.445 401 I N -0.638 119.980 120.570 0.081 0.000 2.202 401 I HA -0.144 4.026 4.170 0.000 0.000 0.242 401 I C 2.672 178.826 176.117 0.062 0.000 1.091 401 I CA 2.105 63.414 61.300 0.015 0.000 1.368 401 I CB -1.713 36.249 38.000 -0.062 0.000 1.058 401 I HN 0.394 nan 8.210 nan 0.000 0.410 402 T N 1.066 115.646 114.554 0.043 0.000 2.867 402 T HA -0.134 4.216 4.350 0.000 0.000 0.268 402 T C 1.666 176.436 174.700 0.117 0.000 1.057 402 T CA 1.593 63.715 62.100 0.035 0.000 1.136 402 T CB -0.114 68.710 68.868 -0.072 0.000 0.874 402 T HN 0.221 nan 8.240 nan 0.000 0.466 403 N N 0.025 118.833 118.700 0.179 0.000 2.171 403 N HA -0.028 4.713 4.740 0.000 0.000 0.184 403 N C 1.413 177.018 175.510 0.158 0.000 1.021 403 N CA 1.044 54.197 53.050 0.172 0.000 0.854 403 N CB -0.678 37.914 38.487 0.176 0.000 0.994 403 N HN 0.519 nan 8.380 nan 0.000 0.426 404 Y N 2.006 122.328 120.300 0.036 0.000 2.114 404 Y HA -0.226 4.324 4.550 0.000 0.000 0.284 404 Y C 2.538 178.445 175.900 0.012 0.000 1.143 404 Y CA 2.210 60.322 58.100 0.020 0.000 1.135 404 Y CB -0.889 37.583 38.460 0.021 0.000 0.980 404 Y HN 0.196 nan 8.280 nan 0.000 0.499 405 T N -3.192 111.565 114.554 0.338 0.000 2.915 405 T HA -0.164 4.186 4.350 0.000 0.000 0.269 405 T C 2.187 176.947 174.700 0.100 0.000 1.071 405 T CA 1.294 63.519 62.100 0.208 0.000 1.132 405 T CB -0.864 68.070 68.868 0.110 0.000 0.878 405 T HN 0.330 nan 8.240 nan 0.000 0.479 406 S N 1.056 116.808 115.700 0.087 0.000 2.383 406 S HA 0.138 4.608 4.470 0.000 0.000 0.227 406 S C 2.031 176.647 174.600 0.026 0.000 1.026 406 S CA 1.205 59.439 58.200 0.056 0.000 0.981 406 S CB -0.806 62.435 63.200 0.069 0.000 0.818 406 S HN 0.758 nan 8.310 nan 0.000 0.472 407 G N -0.372 108.428 108.800 0.000 0.000 3.228 407 G HA2 0.483 4.443 3.960 0.000 0.000 0.245 407 G HA3 0.483 4.443 3.960 0.000 0.000 0.245 407 G C 0.426 175.274 174.900 -0.088 0.000 1.051 407 G CA 0.233 45.311 45.100 -0.037 0.000 0.809 407 G HN 0.621 nan 8.290 nan 0.000 0.531 408 G N 0.576 109.302 108.800 -0.124 0.000 2.572 408 G HA2 0.436 4.396 3.960 0.000 0.000 0.261 408 G HA3 0.436 4.396 3.960 0.000 0.000 0.261 408 G C 0.589 175.434 174.900 -0.091 0.000 1.197 408 G CA 0.426 45.408 45.100 -0.197 0.000 0.870 408 G HN 0.357 nan 8.290 nan 0.000 0.548 409 T N -2.025 112.475 114.554 -0.090 0.000 2.726 409 T HA 0.153 4.503 4.350 0.000 0.000 0.294 409 T C 1.598 176.290 174.700 -0.013 0.000 1.013 409 T CA -0.166 61.908 62.100 -0.043 0.000 0.996 409 T CB 1.127 69.968 68.868 -0.045 0.000 1.016 409 T HN 0.183 nan 8.240 nan 0.000 0.529 410 V N 0.944 120.855 119.914 -0.004 0.000 2.343 410 V HA -0.122 3.998 4.120 0.000 0.000 0.247 410 V C 2.832 178.930 176.094 0.008 0.000 1.051 410 V CA 2.387 64.689 62.300 0.004 0.000 1.036 410 V CB -1.178 30.646 31.823 0.002 0.000 0.654 410 V HN 1.073 nan 8.190 nan 0.000 0.451 411 E N 0.067 120.270 120.200 0.005 0.000 2.077 411 E HA -0.286 4.065 4.350 0.000 0.000 0.193 411 E C 2.233 178.865 176.600 0.054 0.000 0.989 411 E CA 1.617 58.025 56.400 0.013 0.000 0.800 411 E CB -0.166 29.535 29.700 0.001 0.000 0.746 411 E HN 0.681 nan 8.360 nan 0.000 0.452 412 Q N -0.024 119.812 119.800 0.060 0.000 2.167 412 Q HA -0.107 4.233 4.340 0.000 0.000 0.202 412 Q C 2.250 178.458 176.000 0.346 0.000 0.970 412 Q CA 1.412 57.313 55.803 0.163 0.000 0.855 412 Q CB -0.004 28.722 28.738 -0.020 0.000 0.911 412 Q HN 0.452 nan 8.270 nan 0.000 0.438 413 I N -0.366 120.331 120.570 0.211 0.000 2.353 413 I HA -0.199 3.971 4.170 0.000 0.000 0.248 413 I C 2.046 178.174 176.117 0.018 0.000 1.119 413 I CA 0.555 61.963 61.300 0.181 0.000 1.417 413 I CB -0.106 37.947 38.000 0.089 0.000 1.078 413 I HN 0.040 nan 8.210 nan 0.000 0.421 414 V N 0.558 120.447 119.914 -0.041 0.000 2.295 414 V HA -0.328 3.792 4.120 0.000 0.000 0.246 414 V C 2.357 178.233 176.094 -0.363 0.000 1.049 414 V CA 1.981 64.142 62.300 -0.232 0.000 1.024 414 V CB -0.831 30.857 31.823 -0.225 0.000 0.648 414 V HN 0.408 nan 8.190 nan 0.000 0.447 415 Y N 0.569 120.728 120.300 -0.234 0.000 2.114 415 Y HA -0.290 4.261 4.550 0.000 0.000 0.282 415 Y C 2.228 178.073 175.900 -0.092 0.000 1.165 415 Y CA 1.872 59.901 58.100 -0.119 0.000 1.148 415 Y CB -0.470 38.004 38.460 0.023 0.000 0.972 415 Y HN 0.205 nan 8.280 nan 0.000 0.504 416 L N -0.513 120.600 121.223 -0.183 0.000 2.013 416 L HA -0.210 4.130 4.340 0.000 0.000 0.212 416 L C 2.352 179.038 176.870 -0.306 0.000 1.073 416 L CA 1.910 56.541 54.840 -0.349 0.000 0.753 416 L CB -0.969 40.882 42.059 -0.347 0.000 0.890 416 L HN 0.177 nan 8.230 nan 0.000 0.432 417 V N -0.945 118.827 119.914 -0.237 0.000 2.358 417 V HA -0.327 3.793 4.120 0.000 0.000 0.246 417 V C 2.308 178.356 176.094 -0.076 0.000 1.047 417 V CA 2.085 64.284 62.300 -0.169 0.000 1.035 417 V CB -1.001 30.728 31.823 -0.158 0.000 0.658 417 V HN 0.605 nan 8.190 nan 0.000 0.452 418 H N -1.635 117.333 119.070 -0.170 0.000 2.456 418 H HA -0.164 4.392 4.556 0.000 0.000 0.296 418 H C 2.186 177.384 175.328 -0.217 0.000 1.079 418 H CA 1.270 57.226 56.048 -0.154 0.000 1.322 418 H CB -0.033 29.674 29.762 -0.091 0.000 1.388 418 H HN 0.411 nan 8.280 nan 0.000 0.538 419 C N -0.091 119.076 119.300 -0.223 0.000 2.562 419 C HA 0.165 4.626 4.460 0.000 0.000 0.266 419 C C 1.823 176.711 174.990 -0.171 0.000 1.382 419 C CA 0.820 59.681 59.018 -0.262 0.000 1.742 419 C CB -0.594 26.890 27.740 -0.427 0.000 1.812 419 C HN 0.879 nan 8.230 nan 0.000 0.559 420 G N 0.437 109.154 108.800 -0.137 0.000 2.131 420 G HA2 -0.226 3.734 3.960 0.000 0.000 0.201 420 G HA3 -0.226 3.734 3.960 0.000 0.000 0.201 420 G C 0.500 175.333 174.900 -0.113 0.000 1.000 420 G CA 0.257 45.293 45.100 -0.106 0.000 0.680 420 G HN 0.361 nan 8.290 nan 0.000 0.514 421 I N 0.667 121.152 120.570 -0.142 0.000 2.394 421 I HA -0.018 4.152 4.170 0.000 0.000 0.251 421 I C 2.464 178.515 176.117 -0.110 0.000 1.136 421 I CA 1.046 62.263 61.300 -0.138 0.000 1.425 421 I CB -0.137 37.754 38.000 -0.183 0.000 1.079 421 I HN 0.347 nan 8.210 nan 0.000 0.425 422 I N 0.503 121.009 120.570 -0.107 0.000 2.091 422 I HA -0.344 3.826 4.170 0.000 0.000 0.239 422 I C 2.474 178.554 176.117 -0.061 0.000 1.061 422 I CA 1.790 63.035 61.300 -0.091 0.000 1.317 422 I CB -1.514 36.431 38.000 -0.091 0.000 1.031 422 I HN 0.414 nan 8.210 nan 0.000 0.401 423 E N 1.131 121.300 120.200 -0.051 0.000 2.038 423 E HA -0.196 4.154 4.350 0.000 0.000 0.195 423 E C -0.565 176.017 176.600 -0.029 0.000 1.000 423 E CA 1.819 58.199 56.400 -0.033 0.000 0.803 423 E CB -0.747 28.935 29.700 -0.029 0.000 0.750 423 E HN 0.290 nan 8.360 nan 0.000 0.448 424 P HA -0.168 nan 4.420 nan 0.000 0.218 424 P C 1.642 178.928 177.300 -0.023 0.000 1.148 424 P CA 0.874 63.959 63.100 -0.025 0.000 0.822 424 P CB -0.020 31.661 31.700 -0.032 0.000 0.784 425 L N -1.040 120.160 121.223 -0.039 0.000 2.056 425 L HA -0.078 4.263 4.340 0.000 0.000 0.207 425 L C 2.573 179.428 176.870 -0.024 0.000 1.078 425 L CA 1.872 56.688 54.840 -0.040 0.000 0.749 425 L CB -1.204 40.817 42.059 -0.063 0.000 0.901 425 L HN -0.154 nan 8.230 nan 0.000 0.433 426 M N -0.951 118.637 119.600 -0.021 0.000 2.132 426 M HA -0.141 4.339 4.480 0.000 0.000 0.263 426 M C 1.946 178.246 176.300 -0.001 0.000 1.065 426 M CA 1.202 56.496 55.300 -0.009 0.000 1.122 426 M CB -1.573 31.023 32.600 -0.006 0.000 1.365 426 M HN 0.263 nan 8.290 nan 0.000 0.411 427 N N 0.756 119.457 118.700 0.001 0.000 2.272 427 N HA -0.076 4.665 4.740 0.000 0.000 0.185 427 N C 1.744 177.269 175.510 0.025 0.000 1.014 427 N CA 0.960 54.016 53.050 0.010 0.000 0.870 427 N CB -0.408 38.085 38.487 0.011 0.000 0.975 427 N HN 0.370 nan 8.380 nan 0.000 0.433 428 L N -0.057 121.185 121.223 0.031 0.000 2.418 428 L HA 0.078 4.418 4.340 0.000 0.000 0.218 428 L C 1.684 178.585 176.870 0.052 0.000 1.125 428 L CA 0.169 55.047 54.840 0.064 0.000 0.835 428 L CB -0.130 41.968 42.059 0.065 0.000 0.953 428 L HN 0.146 nan 8.230 nan 0.000 0.454 429 L N -0.662 120.572 121.223 0.018 0.000 2.450 429 L HA -0.144 4.197 4.340 0.000 0.000 0.224 429 L C 1.638 178.510 176.870 0.004 0.000 1.149 429 L CA 0.608 55.449 54.840 0.002 0.000 0.816 429 L CB -0.176 41.877 42.059 -0.010 0.000 0.932 429 L HN 0.193 nan 8.230 nan 0.000 0.449 430 S N -0.367 115.342 115.700 0.014 0.000 2.614 430 S HA 0.313 4.783 4.470 0.000 0.000 0.230 430 S C 0.625 175.226 174.600 0.002 0.000 0.952 430 S CA -0.204 58.001 58.200 0.008 0.000 0.949 430 S CB 0.121 63.325 63.200 0.006 0.000 0.786 430 S HN 0.310 nan 8.310 nan 0.000 0.478 431 A N 1.883 124.710 122.820 0.013 0.000 2.304 431 A HA 0.522 4.842 4.320 0.000 0.000 0.301 431 A C 0.251 177.811 177.584 -0.040 0.000 1.132 431 A CA -0.722 51.296 52.037 -0.032 0.000 0.819 431 A CB 0.483 19.510 19.000 0.045 0.000 1.094 431 A HN 0.088 nan 8.150 nan 0.000 0.492 432 K N 2.679 123.015 120.400 -0.107 0.000 2.278 432 K HA 0.167 4.487 4.320 0.000 0.000 0.237 432 K C -0.884 175.691 176.600 -0.041 0.000 1.229 432 K CA 0.334 56.588 56.287 -0.054 0.000 1.155 432 K CB -0.363 32.092 32.500 -0.074 0.000 1.590 432 K HN 0.630 nan 8.250 nan 0.000 0.290 433 D N 0.907 121.327 120.400 0.033 0.000 2.362 433 D HA -0.051 4.590 4.640 0.000 0.000 0.232 433 D C 0.997 177.355 176.300 0.095 0.000 1.329 433 D CA -0.017 54.046 54.000 0.105 0.000 0.944 433 D CB 1.015 41.966 40.800 0.252 0.000 1.471 433 D HN 0.280 nan 8.370 nan 0.000 0.533 434 T N 1.513 116.118 114.554 0.086 0.000 2.778 434 T HA -0.249 4.102 4.350 0.000 0.000 0.269 434 T C 1.698 176.415 174.700 0.030 0.000 1.050 434 T CA 1.451 63.579 62.100 0.048 0.000 1.137 434 T CB 0.153 69.087 68.868 0.110 0.000 0.860 434 T HN 0.142 nan 8.240 nan 0.000 0.468 435 K N 1.079 121.523 120.400 0.074 0.000 2.002 435 K HA 0.114 4.434 4.320 0.000 0.000 0.209 435 K C 2.200 178.793 176.600 -0.012 0.000 1.048 435 K CA 1.643 57.972 56.287 0.070 0.000 0.930 435 K CB -1.059 31.532 32.500 0.152 0.000 0.714 435 K HN 0.565 nan 8.250 nan 0.000 0.438 436 I N 0.140 120.725 120.570 0.025 0.000 2.361 436 I HA -0.221 3.949 4.170 0.000 0.000 0.251 436 I C 1.777 177.838 176.117 -0.094 0.000 1.133 436 I CA 1.132 62.397 61.300 -0.059 0.000 1.413 436 I CB 0.021 38.060 38.000 0.065 0.000 1.073 436 I HN 0.198 nan 8.210 nan 0.000 0.424 437 I N 0.529 121.069 120.570 -0.049 0.000 2.179 437 I HA -0.343 3.827 4.170 0.000 0.000 0.242 437 I C 2.524 178.576 176.117 -0.109 0.000 1.088 437 I CA 1.449 62.701 61.300 -0.080 0.000 1.357 437 I CB -0.482 37.449 38.000 -0.115 0.000 1.051 437 I HN 0.340 nan 8.210 nan 0.000 0.409 438 Q N 0.196 119.928 119.800 -0.113 0.000 2.030 438 Q HA -0.189 4.151 4.340 0.000 0.000 0.204 438 Q C 2.434 178.334 176.000 -0.167 0.000 0.986 438 Q CA 1.790 57.525 55.803 -0.114 0.000 0.843 438 Q CB -0.325 28.362 28.738 -0.085 0.000 0.904 438 Q HN 0.360 nan 8.270 nan 0.000 0.420 439 V N 1.255 120.998 119.914 -0.285 0.000 2.282 439 V HA -0.301 3.819 4.120 0.000 0.000 0.249 439 V C 2.169 178.101 176.094 -0.271 0.000 1.057 439 V CA 1.816 63.851 62.300 -0.441 0.000 1.032 439 V CB -0.568 30.764 31.823 -0.818 0.000 0.645 439 V HN 0.350 nan 8.190 nan 0.000 0.447 440 I N -0.640 119.812 120.570 -0.195 0.000 2.163 440 I HA -0.235 3.935 4.170 0.000 0.000 0.240 440 I C 2.363 178.437 176.117 -0.072 0.000 1.081 440 I CA 1.553 62.781 61.300 -0.120 0.000 1.353 440 I CB -0.415 37.535 38.000 -0.084 0.000 1.054 440 I HN 0.238 nan 8.210 nan 0.000 0.407 441 L N 0.260 121.451 121.223 -0.055 0.000 2.081 441 L HA -0.290 4.050 4.340 0.000 0.000 0.212 441 L C 2.334 179.209 176.870 0.009 0.000 1.080 441 L CA 1.379 56.217 54.840 -0.004 0.000 0.754 441 L CB -0.754 41.300 42.059 -0.008 0.000 0.893 441 L HN 0.399 nan 8.230 nan 0.000 0.433 442 D N 0.045 120.424 120.400 -0.035 0.000 2.144 442 D HA -0.153 4.488 4.640 0.000 0.000 0.200 442 D C 2.131 178.424 176.300 -0.011 0.000 0.978 442 D CA 1.354 55.340 54.000 -0.023 0.000 0.833 442 D CB 0.372 41.130 40.800 -0.070 0.000 0.961 442 D HN 0.320 nan 8.370 nan 0.000 0.470 443 A N 1.144 123.939 122.820 -0.042 0.000 1.902 443 A HA -0.145 4.175 4.320 0.000 0.000 0.217 443 A C 2.182 179.748 177.584 -0.029 0.000 1.181 443 A CA 0.851 52.866 52.037 -0.037 0.000 0.623 443 A CB -0.457 18.503 19.000 -0.066 0.000 0.818 443 A HN 0.221 nan 8.150 nan 0.000 0.443 444 I N 0.059 120.618 120.570 -0.019 0.000 2.179 444 I HA -0.186 3.985 4.170 0.000 0.000 0.242 444 I C 2.738 178.892 176.117 0.063 0.000 1.088 444 I CA 1.863 63.148 61.300 -0.025 0.000 1.357 444 I CB -1.643 36.396 38.000 0.066 0.000 1.051 444 I HN 0.417 nan 8.210 nan 0.000 0.409 445 S N 1.594 117.379 115.700 0.142 0.000 2.359 445 S HA -0.224 4.246 4.470 0.000 0.000 0.223 445 S C 1.840 176.517 174.600 0.128 0.000 1.039 445 S CA 1.926 60.242 58.200 0.194 0.000 1.042 445 S CB -0.289 63.001 63.200 0.150 0.000 0.915 445 S HN 0.459 nan 8.310 nan 0.000 0.439 446 N N 1.309 120.049 118.700 0.067 0.000 2.223 446 N HA -0.018 4.722 4.740 0.000 0.000 0.185 446 N C 1.799 177.317 175.510 0.015 0.000 1.016 446 N CA 1.499 54.578 53.050 0.048 0.000 0.863 446 N CB -0.499 38.013 38.487 0.041 0.000 0.983 446 N HN 0.526 nan 8.380 nan 0.000 0.429 447 I N -0.325 120.216 120.570 -0.047 0.000 2.353 447 I HA -0.162 4.008 4.170 0.000 0.000 0.248 447 I C 1.677 177.682 176.117 -0.187 0.000 1.119 447 I CA 0.647 61.864 61.300 -0.137 0.000 1.417 447 I CB -0.207 37.652 38.000 -0.235 0.000 1.078 447 I HN -0.103 nan 8.210 nan 0.000 0.421 448 F N 1.226 121.042 119.950 -0.224 0.000 2.134 448 F HA -0.214 4.313 4.527 0.000 0.000 0.299 448 F C 2.714 178.391 175.800 -0.205 0.000 1.097 448 F CA 1.482 59.234 58.000 -0.414 0.000 1.264 448 F CB -0.610 37.784 39.000 -1.010 0.000 1.001 448 F HN 0.056 nan 8.300 nan 0.000 0.479 449 Q N -0.561 119.309 119.800 0.117 0.000 2.181 449 Q HA -0.189 4.151 4.340 0.000 0.000 0.205 449 Q C 2.294 178.336 176.000 0.069 0.000 0.980 449 Q CA 1.393 57.269 55.803 0.121 0.000 0.862 449 Q CB -0.211 28.592 28.738 0.108 0.000 0.905 449 Q HN 0.415 nan 8.270 nan 0.000 0.429 450 A N 0.015 122.852 122.820 0.028 0.000 1.930 450 A HA 0.033 4.353 4.320 0.000 0.000 0.215 450 A C 2.094 179.682 177.584 0.006 0.000 1.176 450 A CA 1.210 53.253 52.037 0.010 0.000 0.632 450 A CB -0.455 18.539 19.000 -0.010 0.000 0.819 450 A HN 0.424 nan 8.150 nan 0.000 0.445 451 A N -0.680 122.137 122.820 -0.005 0.000 2.119 451 A HA 0.005 4.325 4.320 0.000 0.000 0.216 451 A C 1.833 179.448 177.584 0.052 0.000 1.152 451 A CA 1.360 53.399 52.037 0.003 0.000 0.708 451 A CB -0.300 18.680 19.000 -0.033 0.000 0.805 451 A HN 0.614 nan 8.150 nan 0.000 0.460 452 E N 0.136 120.386 120.200 0.083 0.000 2.112 452 E HA -0.075 4.275 4.350 0.000 0.000 0.190 452 E C 1.395 178.035 176.600 0.066 0.000 0.979 452 E CA 0.786 57.249 56.400 0.105 0.000 0.814 452 E CB 0.006 29.797 29.700 0.152 0.000 0.762 452 E HN 0.564 nan 8.360 nan 0.000 0.460 453 K N 0.000 120.431 120.400 0.051 0.000 2.555 453 K HA -0.012 4.309 4.320 0.000 0.000 0.193 453 K C 1.208 177.825 176.600 0.028 0.000 1.032 453 K CA 0.420 56.728 56.287 0.035 0.000 1.004 453 K CB 0.310 32.827 32.500 0.029 0.000 0.804 453 K HN 0.179 nan 8.250 nan 0.000 0.496 454 L N -1.034 120.207 121.223 0.030 0.000 2.966 454 L HA 0.212 4.552 4.340 0.000 0.000 0.262 454 L C 0.696 177.583 176.870 0.028 0.000 1.165 454 L CA -0.211 54.644 54.840 0.024 0.000 0.978 454 L CB 0.836 42.904 42.059 0.016 0.000 1.337 454 L HN 0.248 nan 8.230 nan 0.000 0.563 455 G N 1.269 110.091 108.800 0.036 0.000 2.338 455 G HA2 -0.258 3.702 3.960 0.000 0.000 0.296 455 G HA3 -0.258 3.702 3.960 0.000 0.000 0.296 455 G C 0.473 175.394 174.900 0.035 0.000 1.040 455 G CA 0.433 45.555 45.100 0.037 0.000 1.004 455 G HN 0.455 nan 8.290 nan 0.000 0.509 456 E N -0.985 119.238 120.200 0.038 0.000 2.641 456 E HA 0.010 4.360 4.350 0.000 0.000 0.224 456 E C 2.233 178.857 176.600 0.040 0.000 0.951 456 E CA 0.709 57.127 56.400 0.030 0.000 1.102 456 E CB 0.069 29.779 29.700 0.017 0.000 1.091 456 E HN 0.670 nan 8.360 nan 0.000 0.507 457 T N -1.011 113.588 114.554 0.075 0.000 2.896 457 T HA -0.210 4.140 4.350 0.000 0.000 0.270 457 T C 1.658 176.426 174.700 0.113 0.000 1.104 457 T CA 1.569 63.751 62.100 0.138 0.000 1.115 457 T CB 0.049 69.030 68.868 0.188 0.000 0.843 457 T HN 0.154 nan 8.240 nan 0.000 0.523 458 E N 0.910 121.145 120.200 0.058 0.000 2.075 458 E HA 0.012 4.363 4.350 0.000 0.000 0.190 458 E C 2.216 178.834 176.600 0.030 0.000 0.969 458 E CA 0.295 56.715 56.400 0.034 0.000 0.815 458 E CB 0.078 29.794 29.700 0.026 0.000 0.776 458 E HN 0.464 nan 8.360 nan 0.000 0.457 459 K N 0.429 120.843 120.400 0.023 0.000 2.209 459 K HA -0.161 4.160 4.320 0.000 0.000 0.204 459 K C 2.119 178.719 176.600 -0.000 0.000 1.048 459 K CA 0.678 56.974 56.287 0.015 0.000 0.940 459 K CB -0.040 32.468 32.500 0.014 0.000 0.729 459 K HN 0.151 nan 8.250 nan 0.000 0.451 460 L N 0.768 121.979 121.223 -0.021 0.000 2.095 460 L HA -0.043 4.298 4.340 0.000 0.000 0.204 460 L C 2.006 178.850 176.870 -0.044 0.000 1.080 460 L CA 1.556 56.335 54.840 -0.102 0.000 0.759 460 L CB -0.302 41.599 42.059 -0.263 0.000 0.914 460 L HN -0.069 nan 8.230 nan 0.000 0.439 461 S N -0.171 115.559 115.700 0.051 0.000 2.370 461 S HA -0.174 4.297 4.470 0.000 0.000 0.226 461 S C 1.902 176.603 174.600 0.168 0.000 1.033 461 S CA 1.762 59.995 58.200 0.055 0.000 1.011 461 S CB -0.430 62.669 63.200 -0.169 0.000 0.852 461 S HN 0.362 nan 8.310 nan 0.000 0.457 462 I N 1.851 122.480 120.570 0.098 0.000 2.142 462 I HA -0.207 3.963 4.170 0.000 0.000 0.240 462 I C 2.401 178.572 176.117 0.091 0.000 1.078 462 I CA 1.407 62.767 61.300 0.100 0.000 1.343 462 I CB -0.503 37.531 38.000 0.058 0.000 1.046 462 I HN 0.271 nan 8.210 nan 0.000 0.405 463 M N -0.417 119.214 119.600 0.051 0.000 2.088 463 M HA -0.286 4.194 4.480 0.000 0.000 0.256 463 M C 2.352 178.682 176.300 0.048 0.000 1.071 463 M CA 2.090 57.406 55.300 0.025 0.000 1.097 463 M CB -0.710 31.879 32.600 -0.019 0.000 1.315 463 M HN 0.193 nan 8.290 nan 0.000 0.406 464 I N -0.563 120.061 120.570 0.090 0.000 2.454 464 I HA -0.243 3.928 4.170 0.000 0.000 0.254 464 I C 2.384 178.592 176.117 0.153 0.000 1.156 464 I CA 1.193 62.575 61.300 0.137 0.000 1.433 464 I CB -0.443 37.723 38.000 0.278 0.000 1.082 464 I HN 0.407 nan 8.210 nan 0.000 0.432 465 E N 0.941 121.256 120.200 0.192 0.000 2.122 465 E HA -0.151 4.199 4.350 0.000 0.000 0.190 465 E C 2.034 178.679 176.600 0.076 0.000 0.977 465 E CA 0.520 57.006 56.400 0.143 0.000 0.820 465 E CB 0.240 30.058 29.700 0.197 0.000 0.770 465 E HN 0.354 nan 8.360 nan 0.000 0.462 466 E N 0.217 120.457 120.200 0.067 0.000 2.038 466 E HA -0.202 4.148 4.350 0.000 0.000 0.195 466 E C 2.333 178.948 176.600 0.024 0.000 1.000 466 E CA 1.553 57.976 56.400 0.038 0.000 0.803 466 E CB -0.378 29.340 29.700 0.029 0.000 0.750 466 E HN 0.527 nan 8.360 nan 0.000 0.448 467 C N -0.613 118.700 119.300 0.021 0.000 2.576 467 C HA 0.512 4.973 4.460 0.000 0.000 0.267 467 C C 1.622 176.617 174.990 0.008 0.000 1.364 467 C CA 0.054 59.078 59.018 0.009 0.000 1.723 467 C CB -0.816 26.925 27.740 0.001 0.000 1.778 467 C HN 0.516 nan 8.230 nan 0.000 0.572 468 G N 0.001 108.809 108.800 0.013 0.000 2.131 468 G HA2 -0.071 3.889 3.960 0.000 0.000 0.223 468 G HA3 -0.071 3.889 3.960 0.000 0.000 0.223 468 G C 0.966 175.862 174.900 -0.006 0.000 0.990 468 G CA 0.238 45.339 45.100 0.002 0.000 0.671 468 G HN 0.936 nan 8.290 nan 0.000 0.521 469 G N 0.367 109.171 108.800 0.007 0.000 2.433 469 G HA2 0.066 4.027 3.960 0.000 0.000 0.216 469 G HA3 0.066 4.027 3.960 0.000 0.000 0.216 469 G C 1.749 176.618 174.900 -0.052 0.000 1.186 469 G CA 1.578 46.680 45.100 0.002 0.000 0.779 469 G HN 0.984 nan 8.290 nan 0.000 0.543 470 L N 1.093 122.251 121.223 -0.108 0.000 2.042 470 L HA -0.060 4.280 4.340 0.000 0.000 0.210 470 L C 2.021 178.778 176.870 -0.188 0.000 1.076 470 L CA 2.328 56.986 54.840 -0.305 0.000 0.749 470 L CB -0.698 41.116 42.059 -0.408 0.000 0.893 470 L HN 0.222 nan 8.230 nan 0.000 0.432 471 D N -1.245 119.094 120.400 -0.100 0.000 2.378 471 D HA -0.132 4.508 4.640 0.000 0.000 0.222 471 D C 1.831 178.101 176.300 -0.050 0.000 0.980 471 D CA 0.883 54.844 54.000 -0.065 0.000 0.907 471 D CB 0.172 40.950 40.800 -0.036 0.000 0.899 471 D HN 0.395 nan 8.370 nan 0.000 0.527 472 K N -1.153 119.214 120.400 -0.054 0.000 2.399 472 K HA 0.233 4.553 4.320 0.000 0.000 0.196 472 K C 1.689 178.267 176.600 -0.036 0.000 1.103 472 K CA -0.078 56.190 56.287 -0.032 0.000 0.986 472 K CB 0.859 33.347 32.500 -0.020 0.000 0.952 472 K HN 0.124 nan 8.250 nan 0.000 0.541 473 I N 1.494 122.025 120.570 -0.066 0.000 2.277 473 I HA -0.170 4.000 4.170 0.000 0.000 0.243 473 I C 1.905 177.993 176.117 -0.049 0.000 1.094 473 I CA 1.250 62.516 61.300 -0.056 0.000 1.393 473 I CB -0.020 37.928 38.000 -0.086 0.000 1.078 473 I HN 0.166 nan 8.210 nan 0.000 0.417 474 E N 1.163 121.310 120.200 -0.087 0.000 2.085 474 E HA -0.227 4.123 4.350 0.000 0.000 0.194 474 E C 2.315 178.906 176.600 -0.015 0.000 0.994 474 E CA 1.351 57.717 56.400 -0.057 0.000 0.801 474 E CB -0.163 29.489 29.700 -0.079 0.000 0.743 474 E HN 0.490 nan 8.360 nan 0.000 0.453 475 A N 1.024 123.836 122.820 -0.014 0.000 1.972 475 A HA -0.144 4.176 4.320 0.000 0.000 0.219 475 A C 2.133 179.746 177.584 0.048 0.000 1.169 475 A CA 1.003 53.047 52.037 0.011 0.000 0.635 475 A CB -0.462 18.543 19.000 0.007 0.000 0.810 475 A HN 0.140 nan 8.150 nan 0.000 0.446 476 L N -1.102 120.149 121.223 0.046 0.000 2.240 476 L HA -0.135 4.205 4.340 0.000 0.000 0.211 476 L C 2.700 179.650 176.870 0.133 0.000 1.106 476 L CA 1.192 56.080 54.840 0.080 0.000 0.793 476 L CB -0.447 41.611 42.059 -0.002 0.000 0.927 476 L HN 0.571 nan 8.230 nan 0.000 0.446 477 Q N 0.707 120.563 119.800 0.092 0.000 2.248 477 Q HA -0.178 4.162 4.340 0.000 0.000 0.208 477 Q C 1.383 177.454 176.000 0.118 0.000 0.984 477 Q CA 1.217 57.092 55.803 0.120 0.000 0.875 477 Q CB 0.227 29.002 28.738 0.061 0.000 0.910 477 Q HN 0.392 nan 8.270 nan 0.000 0.433 478 R N -0.284 120.262 120.500 0.078 0.000 2.515 478 R HA 0.103 4.443 4.340 0.000 0.000 0.294 478 R C -0.036 176.296 176.300 0.054 0.000 1.021 478 R CA -0.121 55.986 56.100 0.011 0.000 1.081 478 R CB -0.004 30.290 30.300 -0.010 0.000 1.263 478 R HN 0.306 nan 8.270 nan 0.000 0.557 479 H N 1.923 121.029 119.070 0.060 0.000 2.172 479 H HA -0.058 4.499 4.556 0.000 0.000 0.346 479 H C 1.337 176.727 175.328 0.104 0.000 1.901 479 H CA 1.107 57.207 56.048 0.088 0.000 1.403 479 H CB 0.847 30.685 29.762 0.127 0.000 1.654 479 H HN 0.176 nan 8.280 nan 0.000 0.548 480 E N -1.277 118.780 120.200 -0.240 0.000 2.399 480 E HA 0.020 4.370 4.350 0.000 0.000 0.205 480 E C 0.004 176.722 176.600 0.197 0.000 0.906 480 E CA -0.253 56.119 56.400 -0.047 0.000 0.998 480 E CB 0.226 29.808 29.700 -0.197 0.000 1.002 480 E HN 0.340 nan 8.360 nan 0.000 0.501 481 N N 2.342 121.249 118.700 0.346 0.000 2.402 481 N HA -0.069 4.671 4.740 0.000 0.000 0.252 481 N C 0.742 176.347 175.510 0.157 0.000 1.118 481 N CA 0.261 53.474 53.050 0.272 0.000 0.945 481 N CB 0.955 39.614 38.487 0.288 0.000 1.147 481 N HN 0.403 nan 8.380 nan 0.000 0.495 482 E N 2.712 122.926 120.200 0.023 0.000 2.197 482 E HA -0.301 4.049 4.350 0.000 0.000 0.205 482 E C 1.010 177.353 176.600 -0.427 0.000 1.029 482 E CA 1.666 57.821 56.400 -0.409 0.000 0.828 482 E CB -0.100 29.485 29.700 -0.192 0.000 0.737 482 E HN 0.551 nan 8.360 nan 0.000 0.464 483 S N -0.894 114.707 115.700 -0.164 0.000 2.382 483 S HA -0.116 4.354 4.470 0.000 0.000 0.228 483 S C 1.833 176.361 174.600 -0.120 0.000 1.027 483 S CA 1.220 59.348 58.200 -0.119 0.000 0.991 483 S CB -0.098 63.076 63.200 -0.044 0.000 0.823 483 S HN 0.306 nan 8.310 nan 0.000 0.469 484 V N 1.564 121.432 119.914 -0.077 0.000 2.231 484 V HA -0.097 4.023 4.120 0.000 0.000 0.240 484 V C 2.194 178.293 176.094 0.008 0.000 1.039 484 V CA 1.920 64.189 62.300 -0.052 0.000 0.998 484 V CB -1.334 30.427 31.823 -0.104 0.000 0.639 484 V HN 0.768 nan 8.190 nan 0.000 0.451 485 Y N 1.349 121.693 120.300 0.073 0.000 2.315 485 Y HA -0.167 4.383 4.550 0.000 0.000 0.288 485 Y C 2.173 178.098 175.900 0.043 0.000 1.154 485 Y CA 1.349 59.490 58.100 0.069 0.000 1.229 485 Y CB -0.856 37.658 38.460 0.089 0.000 0.980 485 Y HN 0.121 nan 8.280 nan 0.000 0.540 486 K N 0.742 120.961 120.400 -0.303 0.000 2.007 486 K HA -0.022 4.298 4.320 0.000 0.000 0.206 486 K C 2.570 179.150 176.600 -0.034 0.000 1.047 486 K CA 1.053 57.232 56.287 -0.181 0.000 0.937 486 K CB -0.466 31.846 32.500 -0.313 0.000 0.718 486 K HN 0.426 nan 8.250 nan 0.000 0.438 487 A N 1.553 124.345 122.820 -0.045 0.000 1.892 487 A HA -0.212 4.108 4.320 0.000 0.000 0.218 487 A C 2.280 179.895 177.584 0.052 0.000 1.188 487 A CA 2.184 54.225 52.037 0.006 0.000 0.631 487 A CB -0.694 18.302 19.000 -0.007 0.000 0.822 487 A HN 0.227 nan 8.150 nan 0.000 0.447 488 S N -0.308 115.428 115.700 0.059 0.000 2.380 488 S HA -0.201 4.270 4.470 0.000 0.000 0.217 488 S C 1.879 176.534 174.600 0.091 0.000 1.036 488 S CA 1.466 59.714 58.200 0.080 0.000 1.050 488 S CB -0.859 62.389 63.200 0.080 0.000 1.016 488 S HN 0.644 nan 8.310 nan 0.000 0.419 489 L N 3.111 124.394 121.223 0.101 0.000 2.082 489 L HA -0.287 4.053 4.340 0.000 0.000 0.223 489 L C 2.009 178.917 176.870 0.064 0.000 1.086 489 L CA 2.237 57.130 54.840 0.089 0.000 0.793 489 L CB -1.059 41.074 42.059 0.123 0.000 0.896 489 L HN 0.341 nan 8.230 nan 0.000 0.441 490 N N -0.107 118.626 118.700 0.055 0.000 2.036 490 N HA -0.238 4.502 4.740 0.000 0.000 0.195 490 N C 1.953 177.475 175.510 0.020 0.000 1.037 490 N CA 2.507 55.570 53.050 0.021 0.000 0.855 490 N CB -0.348 38.153 38.487 0.023 0.000 1.033 490 N HN 0.551 nan 8.380 nan 0.000 0.423 491 L N 0.653 121.943 121.223 0.112 0.000 2.012 491 L HA -0.201 4.139 4.340 0.000 0.000 0.210 491 L C 2.495 179.525 176.870 0.266 0.000 1.073 491 L CA 0.744 55.724 54.840 0.233 0.000 0.748 491 L CB -0.456 41.799 42.059 0.327 0.000 0.891 491 L HN 0.202 nan 8.230 nan 0.000 0.431 492 I N 0.685 121.395 120.570 0.233 0.000 2.039 492 I HA -0.341 3.829 4.170 0.000 0.000 0.233 492 I C 2.649 178.873 176.117 0.178 0.000 1.040 492 I CA 2.299 63.750 61.300 0.253 0.000 1.308 492 I CB -1.289 36.763 38.000 0.086 0.000 1.035 492 I HN 0.478 nan 8.210 nan 0.000 0.392 493 E N 1.140 121.373 120.200 0.055 0.000 2.267 493 E HA -0.269 4.082 4.350 0.000 0.000 0.197 493 E C 2.103 178.637 176.600 -0.111 0.000 0.998 493 E CA 1.627 58.021 56.400 -0.010 0.000 0.830 493 E CB -0.310 29.378 29.700 -0.020 0.000 0.751 493 E HN 0.492 nan 8.360 nan 0.000 0.491 494 K N -0.973 119.291 120.400 -0.226 0.000 2.284 494 K HA -0.016 4.304 4.320 0.000 0.000 0.198 494 K C 0.605 176.711 176.600 -0.824 0.000 1.048 494 K CA 0.661 56.623 56.287 -0.541 0.000 0.987 494 K CB 0.235 32.295 32.500 -0.733 0.000 0.800 494 K HN 0.187 nan 8.250 nan 0.000 0.486 495 Y N -1.716 118.390 120.300 -0.324 0.000 2.512 495 Y HA 0.262 4.812 4.550 0.000 0.000 0.268 495 Y C 0.460 176.001 175.900 -0.599 0.000 1.102 495 Y CA -0.618 57.107 58.100 -0.624 0.000 1.261 495 Y CB 0.374 38.016 38.460 -1.364 0.000 1.250 495 Y HN -0.153 nan 8.280 nan 0.000 0.506 496 F N -0.274 119.673 119.950 -0.006 0.000 2.390 496 F HA 0.623 5.150 4.527 0.000 0.000 0.314 496 F C 1.571 177.371 175.800 0.000 0.000 1.012 496 F CA -0.568 57.447 58.000 0.026 0.000 1.122 496 F CB -0.728 38.298 39.000 0.042 0.000 1.829 496 F HN -0.032 nan 8.300 nan 0.000 0.557 497 S N 0.000 115.846 115.700 0.244 0.000 2.498 497 S HA 0.000 4.470 4.470 0.000 0.000 0.327 497 S CA 0.000 58.271 58.200 0.118 0.000 1.107 497 S CB 0.000 63.257 63.200 0.096 0.000 0.593 497 S HN 0.000 nan 8.310 nan 0.000 0.517