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 1szp_1_E DATA FIRST_RESID 80 DATA SEQUENCE MVPIEKLQVN GITMADVKKL RESGLHTAEA VAYAPRKDLL EIKGISEAKA DATA SEQUENCE DKLLNEAARL VPMGFVTAAD FHMRRSELIC LTTGSKNLDT LLGGGVETGS DATA SEQUENCE ITELFGEFRT GKSQLCHTLA VTCQIPLDIG GGEGKCLYID TEGTFRPVRL DATA SEQUENCE VSIAQRFGLD PDDALNNVAY ARAYNADHQL RLLDAAAQMM SESRFSLIVV DATA SEQUENCE DSVMALYRTD FXXXXELSAR QMHLAKFMRA LQRLADQFGV AVVVTNQVXX DATA SEQUENCE XXXXXXXXXX XXXXXXGGNI MAHSSTTRLG FKKGKGCQRL CKVVDSPCLP DATA SEQUENCE EAECVFAIYE DGVGDP 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 80 M HA 0.000 nan 4.480 nan 0.000 0.227 80 M C 0.000 176.304 176.300 0.007 0.000 1.140 80 M CA 0.000 55.317 55.300 0.028 0.000 0.988 80 M CB 0.000 32.684 32.600 0.141 0.000 1.302 81 V N 3.486 123.379 119.914 -0.034 0.000 2.328 81 V HA 0.566 4.687 4.120 0.000 0.000 0.278 81 V C -2.212 173.870 176.094 -0.020 0.000 1.021 81 V CA -1.460 60.824 62.300 -0.027 0.000 0.838 81 V CB 1.178 32.969 31.823 -0.053 0.000 0.999 81 V HN 0.747 nan 8.190 nan 0.000 0.447 82 P HA 0.233 nan 4.420 nan 0.000 0.269 82 P C 1.255 178.558 177.300 0.004 0.000 1.215 82 P CA -0.095 63.020 63.100 0.026 0.000 0.780 82 P CB 0.860 32.583 31.700 0.037 0.000 0.898 83 I N 1.372 121.948 120.570 0.010 0.000 2.335 83 I HA -0.269 3.901 4.170 0.000 0.000 0.251 83 I C 1.758 177.872 176.117 -0.005 0.000 1.129 83 I CA 1.604 62.899 61.300 -0.009 0.000 1.402 83 I CB -0.595 37.403 38.000 -0.004 0.000 1.069 83 I HN 0.534 nan 8.210 nan 0.000 0.424 84 E N 1.317 121.522 120.200 0.009 0.000 2.208 84 E HA -0.301 4.049 4.350 0.000 0.000 0.202 84 E C 2.278 178.878 176.600 -0.001 0.000 1.014 84 E CA 1.853 58.257 56.400 0.007 0.000 0.819 84 E CB -0.456 29.253 29.700 0.014 0.000 0.735 84 E HN 0.595 nan 8.360 nan 0.000 0.469 85 K N 1.356 121.753 120.400 -0.004 0.000 2.504 85 K HA 0.039 4.359 4.320 0.000 0.000 0.195 85 K C 1.752 178.343 176.600 -0.014 0.000 1.036 85 K CA 0.758 57.040 56.287 -0.008 0.000 0.984 85 K CB -0.636 31.858 32.500 -0.009 0.000 0.788 85 K HN 0.134 nan 8.250 nan 0.000 0.488 86 L N 0.140 121.352 121.223 -0.019 0.000 2.591 86 L HA 0.074 4.414 4.340 0.000 0.000 0.228 86 L C 0.975 177.836 176.870 -0.016 0.000 1.133 86 L CA 0.108 54.935 54.840 -0.022 0.000 0.880 86 L CB 0.023 42.064 42.059 -0.030 0.000 1.033 86 L HN 0.440 nan 8.230 nan 0.000 0.450 87 Q N 1.091 120.885 119.800 -0.010 0.000 2.641 87 Q HA 0.260 4.600 4.340 0.000 0.000 0.225 87 Q C -0.758 175.238 176.000 -0.006 0.000 1.309 87 Q CA 0.029 55.828 55.803 -0.007 0.000 0.935 87 Q CB 0.713 29.449 28.738 -0.004 0.000 1.557 87 Q HN 0.081 nan 8.270 nan 0.000 0.563 88 V N 1.927 121.836 119.914 -0.007 0.000 3.216 88 V HA 0.251 4.371 4.120 0.000 0.000 0.302 88 V C -0.271 175.819 176.094 -0.006 0.000 1.286 88 V CA -0.586 61.711 62.300 -0.006 0.000 1.048 88 V CB 2.212 34.031 31.823 -0.006 0.000 1.081 88 V HN 0.929 nan 8.190 nan 0.000 0.442 89 N N 2.033 120.730 118.700 -0.005 0.000 2.686 89 N HA -0.228 4.512 4.740 0.000 0.000 0.249 89 N C 0.838 176.345 175.510 -0.005 0.000 1.082 89 N CA 1.329 54.377 53.050 -0.004 0.000 0.725 89 N CB -0.798 37.687 38.487 -0.005 0.000 1.009 89 N HN 1.779 nan 8.380 nan 0.000 0.545 90 G N -1.356 107.441 108.800 -0.005 0.000 2.205 90 G HA2 -0.206 3.754 3.960 0.000 0.000 0.180 90 G HA3 -0.206 3.754 3.960 0.000 0.000 0.180 90 G C 0.005 174.901 174.900 -0.006 0.000 1.004 90 G CA 0.019 45.116 45.100 -0.005 0.000 0.670 90 G HN 0.306 nan 8.290 nan 0.000 0.496 91 I N 3.098 123.664 120.570 -0.008 0.000 2.325 91 I HA 0.478 4.648 4.170 0.000 0.000 0.291 91 I C 0.956 177.069 176.117 -0.007 0.000 1.019 91 I CA -0.004 61.291 61.300 -0.009 0.000 1.302 91 I CB 1.577 39.569 38.000 -0.012 0.000 1.401 91 I HN 0.238 nan 8.210 nan 0.000 0.485 92 T N 2.789 117.339 114.554 -0.006 0.000 2.902 92 T HA 0.270 4.620 4.350 0.000 0.000 0.283 92 T C 0.957 175.655 174.700 -0.004 0.000 1.009 92 T CA -0.857 61.240 62.100 -0.004 0.000 1.051 92 T CB 1.391 70.257 68.868 -0.003 0.000 0.999 92 T HN 0.682 nan 8.240 nan 0.000 0.474 93 M N 1.213 120.813 119.600 -0.001 0.000 2.521 93 M HA -0.095 4.385 4.480 0.000 0.000 0.260 93 M C 1.831 178.132 176.300 0.002 0.000 1.068 93 M CA 1.541 56.842 55.300 0.002 0.000 1.060 93 M CB -0.569 32.033 32.600 0.005 0.000 1.398 93 M HN 0.911 nan 8.290 nan 0.000 0.473 94 A N -0.283 122.537 122.820 -0.000 0.000 1.943 94 A HA -0.059 4.261 4.320 0.000 0.000 0.213 94 A C 1.673 179.254 177.584 -0.004 0.000 1.181 94 A CA 1.041 53.078 52.037 -0.001 0.000 0.653 94 A CB -0.323 18.677 19.000 -0.000 0.000 0.833 94 A HN 0.489 nan 8.150 nan 0.000 0.451 95 D N 0.052 120.448 120.400 -0.007 0.000 2.084 95 D HA -0.099 4.541 4.640 0.000 0.000 0.196 95 D C 2.150 178.440 176.300 -0.015 0.000 0.985 95 D CA 1.471 55.465 54.000 -0.011 0.000 0.826 95 D CB -0.367 40.426 40.800 -0.012 0.000 0.978 95 D HN 0.146 nan 8.370 nan 0.000 0.456 96 V N 1.834 121.739 119.914 -0.015 0.000 2.219 96 V HA -0.315 3.805 4.120 0.000 0.000 0.248 96 V C 2.615 178.699 176.094 -0.017 0.000 1.053 96 V CA 2.194 64.483 62.300 -0.019 0.000 1.009 96 V CB -0.574 31.242 31.823 -0.011 0.000 0.636 96 V HN 0.225 nan 8.190 nan 0.000 0.445 97 K N 0.140 120.537 120.400 -0.005 0.000 2.097 97 K HA -0.340 3.980 4.320 0.000 0.000 0.214 97 K C 2.091 178.685 176.600 -0.009 0.000 1.052 97 K CA 2.461 58.748 56.287 0.001 0.000 0.932 97 K CB -0.322 32.182 32.500 0.007 0.000 0.716 97 K HN 0.394 nan 8.250 nan 0.000 0.455 98 K N 0.261 120.653 120.400 -0.013 0.000 2.360 98 K HA -0.080 4.240 4.320 0.000 0.000 0.201 98 K C 1.924 178.504 176.600 -0.032 0.000 1.046 98 K CA 1.048 57.324 56.287 -0.017 0.000 0.945 98 K CB 0.024 32.515 32.500 -0.014 0.000 0.750 98 K HN 0.263 nan 8.250 nan 0.000 0.464 99 L N -0.396 120.800 121.223 -0.046 0.000 2.145 99 L HA -0.036 4.304 4.340 0.000 0.000 0.201 99 L C 2.235 179.031 176.870 -0.123 0.000 1.075 99 L CA 0.660 55.453 54.840 -0.078 0.000 0.773 99 L CB -0.337 41.672 42.059 -0.084 0.000 0.936 99 L HN 0.073 nan 8.230 nan 0.000 0.451 100 R N 0.956 121.386 120.500 -0.115 0.000 2.132 100 R HA -0.227 4.113 4.340 0.000 0.000 0.233 100 R C 1.955 178.185 176.300 -0.117 0.000 1.125 100 R CA 2.030 58.028 56.100 -0.170 0.000 0.914 100 R CB -0.603 29.710 30.300 0.021 0.000 0.845 100 R HN 0.377 nan 8.270 nan 0.000 0.431 101 E N 0.496 120.685 120.200 -0.018 0.000 2.455 101 E HA -0.150 4.201 4.350 0.000 0.000 0.202 101 E C 1.829 178.420 176.600 -0.014 0.000 1.045 101 E CA 1.091 57.497 56.400 0.009 0.000 0.872 101 E CB -0.013 29.697 29.700 0.016 0.000 0.792 101 E HN 0.334 nan 8.360 nan 0.000 0.542 102 S N -1.229 114.442 115.700 -0.050 0.000 2.421 102 S HA 0.127 4.597 4.470 0.000 0.000 0.224 102 S C 1.509 176.069 174.600 -0.066 0.000 1.035 102 S CA 1.011 59.181 58.200 -0.050 0.000 0.953 102 S CB 0.660 63.824 63.200 -0.060 0.000 0.810 102 S HN 0.338 nan 8.310 nan 0.000 0.497 103 G N 0.693 109.413 108.800 -0.134 0.000 3.967 103 G HA2 0.032 3.993 3.960 0.000 0.000 0.210 103 G HA3 0.032 3.993 3.960 0.000 0.000 0.210 103 G C -0.154 174.570 174.900 -0.295 0.000 1.127 103 G CA -0.227 44.789 45.100 -0.139 0.000 0.887 103 G HN 0.414 nan 8.290 nan 0.000 0.367 104 L N 1.478 122.539 121.223 -0.270 0.000 2.536 104 L HA 0.284 4.625 4.340 0.000 0.000 0.294 104 L C 1.149 177.695 176.870 -0.540 0.000 1.257 104 L CA 0.409 55.085 54.840 -0.274 0.000 0.850 104 L CB 0.191 42.138 42.059 -0.186 0.000 1.105 104 L HN 0.314 nan 8.230 nan 0.000 0.517 105 H N -0.432 118.624 119.070 -0.024 0.000 3.474 105 H HA 0.251 4.808 4.556 0.000 0.000 0.259 105 H C -0.888 174.431 175.328 -0.015 0.000 1.164 105 H CA 0.010 56.063 56.048 0.010 0.000 1.078 105 H CB 1.075 30.885 29.762 0.080 0.000 1.957 105 H HN 0.643 nan 8.280 nan 0.000 0.765 106 T N -0.642 113.893 114.554 -0.032 0.000 3.087 106 T HA 0.317 4.667 4.350 0.000 0.000 0.351 106 T C 1.152 175.742 174.700 -0.184 0.000 1.520 106 T CA -0.041 61.993 62.100 -0.110 0.000 1.111 106 T CB 1.912 70.645 68.868 -0.224 0.000 1.353 106 T HN 0.071 nan 8.240 nan 0.000 0.481 107 A N 1.722 124.445 122.820 -0.162 0.000 1.929 107 A HA -0.244 4.077 4.320 0.000 0.000 0.221 107 A C 2.001 179.394 177.584 -0.319 0.000 1.211 107 A CA 2.719 54.644 52.037 -0.186 0.000 0.657 107 A CB -0.780 18.130 19.000 -0.149 0.000 0.827 107 A HN 0.886 nan 8.150 nan 0.000 0.462 108 E N -0.310 119.625 120.200 -0.443 0.000 2.068 108 E HA -0.180 4.170 4.350 0.000 0.000 0.207 108 E C 2.326 178.353 176.600 -0.955 0.000 1.032 108 E CA 1.722 57.576 56.400 -0.911 0.000 0.839 108 E CB -0.715 28.518 29.700 -0.777 0.000 0.758 108 E HN 0.637 nan 8.360 nan 0.000 0.457 109 A N 0.459 122.983 122.820 -0.494 0.000 1.863 109 A HA -0.308 4.012 4.320 0.000 0.000 0.218 109 A C 2.536 180.000 177.584 -0.201 0.000 1.233 109 A CA 2.485 54.367 52.037 -0.258 0.000 0.655 109 A CB -1.297 17.601 19.000 -0.171 0.000 0.839 109 A HN 0.146 nan 8.150 nan 0.000 0.454 110 V N -0.191 119.612 119.914 -0.186 0.000 2.220 110 V HA -0.355 3.765 4.120 0.000 0.000 0.250 110 V C 3.074 179.101 176.094 -0.112 0.000 1.056 110 V CA 2.706 64.929 62.300 -0.128 0.000 1.016 110 V CB -1.614 30.137 31.823 -0.120 0.000 0.639 110 V HN 0.765 nan 8.190 nan 0.000 0.446 111 A N -0.654 122.061 122.820 -0.176 0.000 1.909 111 A HA -0.302 4.018 4.320 0.000 0.000 0.221 111 A C 2.077 179.702 177.584 0.068 0.000 1.223 111 A CA 2.776 54.751 52.037 -0.103 0.000 0.658 111 A CB -0.936 17.927 19.000 -0.230 0.000 0.831 111 A HN 0.634 nan 8.150 nan 0.000 0.462 112 Y N -0.424 119.840 120.300 -0.061 0.000 2.263 112 Y HA 0.338 4.888 4.550 0.000 0.000 0.292 112 Y C 1.908 177.775 175.900 -0.054 0.000 1.130 112 Y CA -0.483 57.580 58.100 -0.061 0.000 1.179 112 Y CB -1.571 36.846 38.460 -0.071 0.000 0.998 112 Y HN 0.324 nan 8.280 nan 0.000 0.532 113 A N 2.626 125.498 122.820 0.086 0.000 2.587 113 A HA 0.124 4.444 4.320 0.000 0.000 0.235 113 A C -2.171 175.425 177.584 0.019 0.000 1.044 113 A CA -0.855 51.199 52.037 0.029 0.000 0.754 113 A CB -0.807 18.186 19.000 -0.012 0.000 0.968 113 A HN 0.084 nan 8.150 nan 0.000 0.509 114 P HA 0.376 nan 4.420 nan 0.000 0.272 114 P C 1.329 178.627 177.300 -0.004 0.000 1.230 114 P CA 0.338 63.439 63.100 0.002 0.000 0.788 114 P CB 0.484 32.182 31.700 -0.003 0.000 0.949 115 R N 1.811 122.308 120.500 -0.004 0.000 2.057 115 R HA -0.056 4.284 4.340 0.000 0.000 0.229 115 R C 2.377 178.673 176.300 -0.008 0.000 1.136 115 R CA 2.457 58.553 56.100 -0.006 0.000 0.952 115 R CB -2.258 28.038 30.300 -0.005 0.000 0.848 115 R HN 0.513 nan 8.270 nan 0.000 0.430 116 K N 1.569 121.965 120.400 -0.007 0.000 2.034 116 K HA -0.238 4.082 4.320 0.000 0.000 0.214 116 K C 1.973 178.567 176.600 -0.010 0.000 1.051 116 K CA 1.947 58.229 56.287 -0.008 0.000 0.931 116 K CB -1.341 31.155 32.500 -0.007 0.000 0.715 116 K HN 0.641 nan 8.250 nan 0.000 0.446 117 D N 0.209 120.603 120.400 -0.010 0.000 2.322 117 D HA -0.114 4.526 4.640 0.000 0.000 0.210 117 D C 1.748 178.037 176.300 -0.018 0.000 0.983 117 D CA 1.399 55.391 54.000 -0.013 0.000 0.902 117 D CB 0.065 40.857 40.800 -0.013 0.000 0.905 117 D HN 0.556 nan 8.370 nan 0.000 0.483 118 L N -0.320 120.892 121.223 -0.018 0.000 2.200 118 L HA 0.009 4.349 4.340 0.000 0.000 0.200 118 L C 2.590 179.450 176.870 -0.017 0.000 1.072 118 L CA 0.165 54.992 54.840 -0.022 0.000 0.787 118 L CB -0.509 41.536 42.059 -0.023 0.000 0.957 118 L HN -0.048 nan 8.230 nan 0.000 0.459 119 L N 0.945 122.160 121.223 -0.013 0.000 2.103 119 L HA -0.277 4.063 4.340 0.000 0.000 0.215 119 L C 2.962 179.826 176.870 -0.010 0.000 1.080 119 L CA 2.097 56.931 54.840 -0.011 0.000 0.764 119 L CB -1.292 40.762 42.059 -0.008 0.000 0.890 119 L HN 0.479 nan 8.230 nan 0.000 0.435 120 E N 0.593 120.787 120.200 -0.010 0.000 2.427 120 E HA 0.064 4.414 4.350 0.000 0.000 0.196 120 E C 1.022 177.615 176.600 -0.010 0.000 1.028 120 E CA 0.148 56.543 56.400 -0.009 0.000 0.864 120 E CB -0.550 29.146 29.700 -0.008 0.000 0.813 120 E HN 0.513 nan 8.360 nan 0.000 0.514 121 I N 2.130 122.692 120.570 -0.014 0.000 2.581 121 I HA 0.209 4.379 4.170 0.000 0.000 0.285 121 I C 1.113 177.223 176.117 -0.012 0.000 1.129 121 I CA -0.028 61.263 61.300 -0.015 0.000 1.397 121 I CB 0.664 38.652 38.000 -0.021 0.000 1.399 121 I HN 0.305 nan 8.210 nan 0.000 0.537 122 K N 5.293 125.687 120.400 -0.009 0.000 2.437 122 K HA 0.339 4.659 4.320 0.000 0.000 0.277 122 K C 1.137 177.732 176.600 -0.008 0.000 1.073 122 K CA 0.477 56.760 56.287 -0.007 0.000 1.105 122 K CB -0.394 32.103 32.500 -0.005 0.000 0.881 122 K HN 1.080 nan 8.250 nan 0.000 0.475 123 G N 1.012 109.808 108.800 -0.007 0.000 2.213 123 G HA2 -0.151 3.810 3.960 0.000 0.000 0.226 123 G HA3 -0.151 3.810 3.960 0.000 0.000 0.226 123 G C 0.127 175.022 174.900 -0.009 0.000 0.992 123 G CA -0.018 45.078 45.100 -0.007 0.000 0.632 123 G HN 0.743 nan 8.290 nan 0.000 0.511 124 I N 3.215 123.778 120.570 -0.010 0.000 2.322 124 I HA 0.367 4.537 4.170 0.000 0.000 0.292 124 I C 1.166 177.277 176.117 -0.010 0.000 1.060 124 I CA -0.303 60.990 61.300 -0.012 0.000 1.309 124 I CB 0.634 38.625 38.000 -0.015 0.000 1.415 124 I HN 0.421 nan 8.210 nan 0.000 0.492 125 S N 3.665 119.360 115.700 -0.009 0.000 2.505 125 S HA 0.225 4.695 4.470 0.000 0.000 0.276 125 S C 1.340 175.935 174.600 -0.007 0.000 1.274 125 S CA 0.060 58.256 58.200 -0.007 0.000 1.053 125 S CB 1.275 64.472 63.200 -0.006 0.000 0.919 125 S HN 0.716 nan 8.310 nan 0.000 0.490 126 E N 2.921 123.117 120.200 -0.006 0.000 2.301 126 E HA -0.171 4.179 4.350 0.000 0.000 0.202 126 E C 1.994 178.591 176.600 -0.006 0.000 1.017 126 E CA 2.068 58.464 56.400 -0.006 0.000 0.831 126 E CB -1.148 28.549 29.700 -0.005 0.000 0.742 126 E HN 1.084 nan 8.360 nan 0.000 0.491 127 A N 0.121 122.938 122.820 -0.006 0.000 1.871 127 A HA 0.114 4.434 4.320 0.000 0.000 0.211 127 A C 2.256 179.836 177.584 -0.007 0.000 1.207 127 A CA 1.621 53.654 52.037 -0.005 0.000 0.620 127 A CB -0.159 18.838 19.000 -0.004 0.000 0.860 127 A HN 0.399 nan 8.150 nan 0.000 0.450 128 K N -0.052 120.343 120.400 -0.008 0.000 2.113 128 K HA -0.179 4.142 4.320 0.000 0.000 0.208 128 K C 2.012 178.605 176.600 -0.012 0.000 1.047 128 K CA 1.416 57.698 56.287 -0.009 0.000 0.928 128 K CB -0.274 32.220 32.500 -0.010 0.000 0.716 128 K HN 0.407 nan 8.250 nan 0.000 0.446 129 A N 1.342 124.155 122.820 -0.012 0.000 1.872 129 A HA -0.158 4.162 4.320 0.000 0.000 0.214 129 A C 1.640 179.216 177.584 -0.013 0.000 1.187 129 A CA 1.763 53.792 52.037 -0.014 0.000 0.614 129 A CB -0.461 18.531 19.000 -0.013 0.000 0.826 129 A HN 0.376 nan 8.150 nan 0.000 0.442 130 D N 0.211 120.605 120.400 -0.010 0.000 2.149 130 D HA -0.135 4.506 4.640 0.000 0.000 0.198 130 D C 2.234 178.528 176.300 -0.009 0.000 0.990 130 D CA 2.024 56.019 54.000 -0.008 0.000 0.839 130 D CB -0.332 40.465 40.800 -0.005 0.000 0.948 130 D HN 0.557 nan 8.370 nan 0.000 0.460 131 K N 1.071 121.465 120.400 -0.010 0.000 2.152 131 K HA -0.113 4.207 4.320 0.000 0.000 0.206 131 K C 2.280 178.872 176.600 -0.014 0.000 1.048 131 K CA 0.799 57.080 56.287 -0.010 0.000 0.933 131 K CB -0.965 31.530 32.500 -0.009 0.000 0.721 131 K HN 0.178 nan 8.250 nan 0.000 0.447 132 L N -0.418 120.794 121.223 -0.018 0.000 2.013 132 L HA -0.001 4.340 4.340 0.000 0.000 0.204 132 L C 3.236 180.090 176.870 -0.027 0.000 1.081 132 L CA 1.096 55.921 54.840 -0.024 0.000 0.751 132 L CB -0.873 41.169 42.059 -0.029 0.000 0.901 132 L HN 0.376 nan 8.230 nan 0.000 0.440 133 L N -0.193 121.015 121.223 -0.024 0.000 2.085 133 L HA -0.344 3.996 4.340 0.000 0.000 0.218 133 L C 2.155 179.015 176.870 -0.017 0.000 1.080 133 L CA 3.071 57.898 54.840 -0.021 0.000 0.776 133 L CB -2.112 39.940 42.059 -0.012 0.000 0.891 133 L HN 0.514 nan 8.230 nan 0.000 0.437 134 N N -1.381 117.311 118.700 -0.013 0.000 2.216 134 N HA -0.158 4.582 4.740 0.000 0.000 0.183 134 N C 1.918 177.422 175.510 -0.011 0.000 1.017 134 N CA 1.343 54.388 53.050 -0.008 0.000 0.861 134 N CB -0.039 38.445 38.487 -0.005 0.000 0.986 134 N HN 0.788 nan 8.380 nan 0.000 0.428 135 E N 0.182 120.372 120.200 -0.017 0.000 2.021 135 E HA 0.086 4.436 4.350 0.000 0.000 0.189 135 E C 1.843 178.427 176.600 -0.026 0.000 0.980 135 E CA 1.340 57.729 56.400 -0.019 0.000 0.803 135 E CB -0.652 29.035 29.700 -0.021 0.000 0.766 135 E HN 0.324 nan 8.360 nan 0.000 0.449 136 A N 1.280 124.076 122.820 -0.039 0.000 1.903 136 A HA -0.195 4.125 4.320 0.000 0.000 0.219 136 A C 2.467 180.023 177.584 -0.045 0.000 1.191 136 A CA 2.543 54.545 52.037 -0.058 0.000 0.638 136 A CB -1.370 17.576 19.000 -0.090 0.000 0.823 136 A HN 0.439 nan 8.150 nan 0.000 0.451 137 A N -1.080 121.723 122.820 -0.028 0.000 2.194 137 A HA 0.013 4.333 4.320 0.000 0.000 0.220 137 A C 2.297 179.879 177.584 -0.002 0.000 1.162 137 A CA 2.437 54.468 52.037 -0.008 0.000 0.674 137 A CB -0.832 18.168 19.000 -0.000 0.000 0.789 137 A HN 0.806 nan 8.150 nan 0.000 0.470 138 R N -0.446 120.049 120.500 -0.008 0.000 2.112 138 R HA 0.388 4.728 4.340 0.000 0.000 0.216 138 R C 1.923 178.220 176.300 -0.006 0.000 1.080 138 R CA 1.135 57.233 56.100 -0.003 0.000 0.996 138 R CB -1.021 29.276 30.300 -0.005 0.000 0.902 138 R HN 0.547 nan 8.270 nan 0.000 0.449 139 L N 0.403 121.616 121.223 -0.017 0.000 2.307 139 L HA 0.207 4.547 4.340 0.000 0.000 0.211 139 L C -0.156 176.701 176.870 -0.021 0.000 1.099 139 L CA 0.344 55.172 54.840 -0.021 0.000 0.816 139 L CB 0.520 42.559 42.059 -0.033 0.000 0.952 139 L HN 0.083 nan 8.230 nan 0.000 0.455 140 V N -0.130 119.770 119.914 -0.024 0.000 2.376 140 V HA 0.334 4.454 4.120 0.000 0.000 0.287 140 V C -2.378 173.738 176.094 0.035 0.000 1.015 140 V CA -1.888 60.407 62.300 -0.008 0.000 0.834 140 V CB 0.898 32.679 31.823 -0.069 0.000 1.001 140 V HN -0.069 nan 8.190 nan 0.000 0.428 141 P HA 0.147 nan 4.420 nan 0.000 0.260 141 P C 0.010 177.339 177.300 0.048 0.000 1.172 141 P CA 0.517 63.646 63.100 0.047 0.000 0.760 141 P CB 0.235 31.968 31.700 0.056 0.000 0.773 142 M N 2.541 122.155 119.600 0.024 0.000 3.320 142 M HA 0.341 4.821 4.480 0.000 0.000 0.414 142 M C 0.356 176.630 176.300 -0.043 0.000 1.553 142 M CA -0.026 55.273 55.300 -0.003 0.000 0.742 142 M CB 0.742 33.352 32.600 0.016 0.000 1.434 142 M HN 0.359 nan 8.290 nan 0.000 0.505 143 G N -0.307 108.465 108.800 -0.046 0.000 3.022 143 G HA2 0.764 4.724 3.960 0.000 0.000 0.284 143 G HA3 0.764 4.724 3.960 0.000 0.000 0.284 143 G C -1.281 173.553 174.900 -0.110 0.000 1.375 143 G CA -0.509 44.567 45.100 -0.040 0.000 0.902 143 G HN 0.089 nan 8.290 nan 0.000 0.538 144 F N -0.393 119.557 119.950 -0.000 0.000 2.403 144 F HA 0.549 5.076 4.527 0.000 0.000 0.320 144 F C 0.810 176.619 175.800 0.015 0.000 1.176 144 F CA 0.087 58.084 58.000 -0.005 0.000 1.206 144 F CB 1.806 40.802 39.000 -0.008 0.000 1.235 144 F HN 0.333 nan 8.300 nan 0.000 0.565 145 V N -1.934 118.118 119.914 0.230 0.000 3.077 145 V HA 0.481 4.601 4.120 0.000 0.000 0.299 145 V C -0.396 175.791 176.094 0.154 0.000 1.276 145 V CA -1.041 61.356 62.300 0.162 0.000 0.993 145 V CB 0.814 32.731 31.823 0.157 0.000 1.076 145 V HN 0.900 nan 8.190 nan 0.000 0.434 146 T N 1.638 116.266 114.554 0.122 0.000 2.855 146 T HA 0.532 4.883 4.350 0.000 0.000 0.314 146 T C 1.456 176.233 174.700 0.128 0.000 1.077 146 T CA 0.757 62.917 62.100 0.101 0.000 1.095 146 T CB 1.306 70.218 68.868 0.074 0.000 0.987 146 T HN 1.991 nan 8.240 nan 0.000 0.546 147 A N 2.745 125.630 122.820 0.108 0.000 1.898 147 A HA 0.244 4.564 4.320 0.000 0.000 0.216 147 A C 2.767 180.461 177.584 0.184 0.000 1.181 147 A CA 1.796 53.913 52.037 0.132 0.000 0.620 147 A CB -1.561 17.484 19.000 0.076 0.000 0.819 147 A HN 1.350 nan 8.150 nan 0.000 0.442 148 A N -0.075 122.822 122.820 0.129 0.000 1.892 148 A HA -0.283 4.037 4.320 0.000 0.000 0.218 148 A C 1.938 179.626 177.584 0.173 0.000 1.188 148 A CA 2.143 54.265 52.037 0.141 0.000 0.631 148 A CB -0.755 18.301 19.000 0.094 0.000 0.822 148 A HN 0.495 nan 8.150 nan 0.000 0.447 149 D N -1.515 118.971 120.400 0.144 0.000 2.182 149 D HA -0.159 4.481 4.640 0.000 0.000 0.201 149 D C 1.553 177.946 176.300 0.155 0.000 0.986 149 D CA 1.164 55.239 54.000 0.125 0.000 0.847 149 D CB -0.213 40.654 40.800 0.113 0.000 0.942 149 D HN 0.387 nan 8.370 nan 0.000 0.467 150 F N 1.293 121.291 119.950 0.080 0.000 2.009 150 F HA -0.180 4.347 4.527 0.000 0.000 0.293 150 F C 2.411 178.270 175.800 0.099 0.000 1.156 150 F CA 2.052 60.095 58.000 0.071 0.000 1.168 150 F CB -1.260 37.777 39.000 0.062 0.000 0.981 150 F HN 0.015 nan 8.300 nan 0.000 0.475 151 H N 0.131 119.188 119.070 -0.023 0.000 2.427 151 H HA -0.381 4.175 4.556 0.000 0.000 0.284 151 H C 2.084 177.324 175.328 -0.147 0.000 1.132 151 H CA 3.452 59.431 56.048 -0.115 0.000 1.149 151 H CB -0.795 28.975 29.762 0.013 0.000 1.349 151 H HN 0.381 nan 8.280 nan 0.000 0.482 152 M N 0.321 119.814 119.600 -0.177 0.000 2.101 152 M HA -0.076 4.404 4.480 0.000 0.000 0.259 152 M C 2.698 178.857 176.300 -0.236 0.000 1.083 152 M CA 2.279 57.445 55.300 -0.223 0.000 1.114 152 M CB -1.308 31.230 32.600 -0.103 0.000 1.281 152 M HN 0.435 nan 8.290 nan 0.000 0.422 153 R N 0.543 120.926 120.500 -0.196 0.000 2.228 153 R HA -0.213 4.128 4.340 0.000 0.000 0.259 153 R C 2.625 178.755 176.300 -0.284 0.000 1.183 153 R CA 2.570 58.548 56.100 -0.202 0.000 1.002 153 R CB -1.018 29.191 30.300 -0.151 0.000 0.879 153 R HN 0.803 nan 8.270 nan 0.000 0.467 154 R N 0.581 120.816 120.500 -0.442 0.000 2.061 154 R HA -0.044 4.296 4.340 0.000 0.000 0.230 154 R C 2.223 178.393 176.300 -0.217 0.000 1.140 154 R CA 1.889 57.758 56.100 -0.385 0.000 0.940 154 R CB -1.511 28.526 30.300 -0.438 0.000 0.839 154 R HN 0.267 nan 8.270 nan 0.000 0.429 155 S N 0.328 115.887 115.700 -0.235 0.000 2.469 155 S HA 0.011 4.482 4.470 0.000 0.000 0.238 155 S C 1.827 176.347 174.600 -0.133 0.000 0.998 155 S CA 0.972 59.063 58.200 -0.181 0.000 0.957 155 S CB -0.086 62.955 63.200 -0.265 0.000 0.764 155 S HN 0.890 nan 8.310 nan 0.000 0.514 156 E N 0.594 120.715 120.200 -0.131 0.000 2.301 156 E HA 0.562 4.912 4.350 0.000 0.000 0.195 156 E C 0.060 176.620 176.600 -0.067 0.000 1.171 156 E CA 0.439 56.785 56.400 -0.090 0.000 1.142 156 E CB -1.190 28.459 29.700 -0.085 0.000 1.218 156 E HN 0.586 nan 8.360 nan 0.000 0.448 157 L N -0.438 120.746 121.223 -0.065 0.000 2.319 157 L HA 0.891 5.231 4.340 0.000 0.000 0.267 157 L C 0.430 177.279 176.870 -0.034 0.000 1.011 157 L CA -1.136 53.677 54.840 -0.045 0.000 0.818 157 L CB 1.178 43.207 42.059 -0.049 0.000 1.316 157 L HN 0.328 nan 8.230 nan 0.000 0.432 158 I N -0.135 120.422 120.570 -0.022 0.000 2.764 158 I HA 0.490 4.660 4.170 0.000 0.000 0.294 158 I C -0.164 175.943 176.117 -0.017 0.000 1.045 158 I CA -0.325 60.965 61.300 -0.018 0.000 1.340 158 I CB 1.248 39.241 38.000 -0.012 0.000 1.436 158 I HN 0.637 nan 8.210 nan 0.000 0.567 159 C N 5.572 124.861 119.300 -0.017 0.000 2.346 159 C HA 0.487 4.948 4.460 0.000 0.000 0.326 159 C C 0.260 175.237 174.990 -0.022 0.000 1.224 159 C CA -0.733 58.276 59.018 -0.016 0.000 1.408 159 C CB 0.158 27.890 27.740 -0.013 0.000 2.089 159 C HN 0.530 nan 8.230 nan 0.000 0.456 160 L N 2.148 123.356 121.223 -0.025 0.000 2.476 160 L HA 0.493 4.833 4.340 0.000 0.000 0.255 160 L C 0.906 177.752 176.870 -0.040 0.000 1.218 160 L CA 0.370 55.186 54.840 -0.040 0.000 0.819 160 L CB 0.469 42.502 42.059 -0.042 0.000 1.119 160 L HN 0.608 nan 8.230 nan 0.000 0.485 161 T N -1.833 112.686 114.554 -0.059 0.000 2.912 161 T HA 0.305 4.656 4.350 0.000 0.000 0.288 161 T C 0.869 175.543 174.700 -0.043 0.000 1.030 161 T CA -0.077 61.998 62.100 -0.042 0.000 1.020 161 T CB 1.460 70.309 68.868 -0.031 0.000 1.056 161 T HN 0.814 nan 8.240 nan 0.000 0.480 162 T N 0.748 115.288 114.554 -0.023 0.000 2.809 162 T HA 0.313 4.663 4.350 0.000 0.000 0.260 162 T C 1.661 176.368 174.700 0.011 0.000 1.039 162 T CA 1.115 63.196 62.100 -0.032 0.000 1.141 162 T CB -0.544 68.280 68.868 -0.074 0.000 0.869 162 T HN 1.577 nan 8.240 nan 0.000 0.437 163 G N 0.575 109.409 108.800 0.057 0.000 2.192 163 G HA2 -0.096 3.864 3.960 0.000 0.000 0.193 163 G HA3 -0.096 3.864 3.960 0.000 0.000 0.193 163 G C 0.179 175.136 174.900 0.096 0.000 0.999 163 G CA 0.212 45.400 45.100 0.145 0.000 0.659 163 G HN 1.242 nan 8.290 nan 0.000 0.503 164 S N 0.147 115.879 115.700 0.054 0.000 2.733 164 S HA 0.585 5.055 4.470 0.000 0.000 0.307 164 S C 1.408 176.040 174.600 0.053 0.000 1.127 164 S CA 0.264 58.504 58.200 0.067 0.000 1.097 164 S CB 1.152 64.396 63.200 0.074 0.000 1.003 164 S HN 0.311 nan 8.310 nan 0.000 0.477 165 K N 3.388 123.819 120.400 0.052 0.000 2.052 165 K HA -0.218 4.103 4.320 0.000 0.000 0.215 165 K C 1.644 178.268 176.600 0.040 0.000 1.053 165 K CA 2.180 58.492 56.287 0.040 0.000 0.934 165 K CB -0.366 32.156 32.500 0.035 0.000 0.717 165 K HN 0.633 nan 8.250 nan 0.000 0.450 166 N N 1.075 119.808 118.700 0.055 0.000 2.060 166 N HA -0.208 4.532 4.740 0.000 0.000 0.195 166 N C 1.868 177.407 175.510 0.049 0.000 1.028 166 N CA 1.212 54.296 53.050 0.056 0.000 0.861 166 N CB -0.393 38.144 38.487 0.083 0.000 1.029 166 N HN 0.071 nan 8.380 nan 0.000 0.428 167 L N 1.993 123.246 121.223 0.050 0.000 1.988 167 L HA -0.108 4.232 4.340 0.000 0.000 0.207 167 L C 1.697 178.567 176.870 -0.001 0.000 1.071 167 L CA 1.762 56.609 54.840 0.011 0.000 0.744 167 L CB -0.796 41.231 42.059 -0.054 0.000 0.893 167 L HN 0.014 nan 8.230 nan 0.000 0.433 168 D N -0.981 119.421 120.400 0.002 0.000 2.126 168 D HA -0.229 4.411 4.640 0.000 0.000 0.190 168 D C 2.000 178.305 176.300 0.009 0.000 1.001 168 D CA 2.136 56.139 54.000 0.004 0.000 0.841 168 D CB -0.568 40.239 40.800 0.011 0.000 0.949 168 D HN 0.339 nan 8.370 nan 0.000 0.446 169 T N 1.020 115.582 114.554 0.014 0.000 2.760 169 T HA -0.182 4.168 4.350 0.000 0.000 0.269 169 T C 1.824 176.532 174.700 0.013 0.000 1.047 169 T CA 0.661 62.770 62.100 0.015 0.000 1.139 169 T CB -0.251 68.628 68.868 0.018 0.000 0.855 169 T HN 0.014 nan 8.240 nan 0.000 0.471 170 L N 0.233 121.463 121.223 0.012 0.000 2.162 170 L HA 0.278 4.618 4.340 0.000 0.000 0.205 170 L C 1.856 178.731 176.870 0.009 0.000 1.086 170 L CA 1.315 56.160 54.840 0.009 0.000 0.778 170 L CB -0.355 41.707 42.059 0.004 0.000 0.928 170 L HN 0.248 nan 8.230 nan 0.000 0.446 171 L N -0.564 120.663 121.223 0.007 0.000 2.610 171 L HA 0.187 4.527 4.340 0.000 0.000 0.232 171 L C 1.302 178.179 176.870 0.011 0.000 1.149 171 L CA 0.617 55.463 54.840 0.010 0.000 0.872 171 L CB -0.735 41.328 42.059 0.007 0.000 0.992 171 L HN 0.521 nan 8.230 nan 0.000 0.447 172 G N -0.220 108.586 108.800 0.010 0.000 2.149 172 G HA2 -0.167 3.793 3.960 0.000 0.000 0.235 172 G HA3 -0.167 3.793 3.960 0.000 0.000 0.235 172 G C 0.767 175.670 174.900 0.005 0.000 1.018 172 G CA 0.152 45.257 45.100 0.009 0.000 0.728 172 G HN 0.611 nan 8.290 nan 0.000 0.508 173 G N -2.480 106.322 108.800 0.004 0.000 2.545 173 G HA2 0.532 4.492 3.960 0.000 0.000 0.195 173 G HA3 0.532 4.492 3.960 0.000 0.000 0.195 173 G C 1.388 176.287 174.900 -0.001 0.000 1.009 173 G CA 0.988 46.089 45.100 0.002 0.000 0.703 173 G HN 2.783 nan 8.290 nan 0.000 0.479 174 G N -1.596 107.203 108.800 -0.002 0.000 2.356 174 G HA2 0.523 4.483 3.960 0.000 0.000 0.288 174 G HA3 0.523 4.483 3.960 0.000 0.000 0.288 174 G C -0.187 174.711 174.900 -0.005 0.000 1.302 174 G CA 0.447 45.543 45.100 -0.007 0.000 0.887 174 G HN 1.805 nan 8.290 nan 0.000 0.521 175 V N -0.946 118.963 119.914 -0.008 0.000 2.485 175 V HA 0.581 4.701 4.120 0.000 0.000 0.287 175 V C 0.518 176.610 176.094 -0.003 0.000 1.022 175 V CA 0.053 62.352 62.300 -0.002 0.000 1.067 175 V CB 0.987 32.805 31.823 -0.007 0.000 0.967 175 V HN 0.831 nan 8.190 nan 0.000 0.479 176 E N 3.714 123.916 120.200 0.002 0.000 2.383 176 E HA 0.375 4.725 4.350 0.000 0.000 0.264 176 E C 0.479 177.079 176.600 0.001 0.000 1.050 176 E CA 0.037 56.437 56.400 0.000 0.000 0.896 176 E CB 0.987 30.690 29.700 0.005 0.000 0.982 176 E HN 1.067 nan 8.360 nan 0.000 0.424 177 T N -0.193 114.361 114.554 0.000 0.000 2.936 177 T HA 0.537 4.887 4.350 0.000 0.000 0.282 177 T C 1.060 175.766 174.700 0.010 0.000 1.003 177 T CA -0.020 62.084 62.100 0.007 0.000 1.005 177 T CB 1.540 70.415 68.868 0.011 0.000 1.097 177 T HN 0.686 nan 8.240 nan 0.000 0.532 178 G N 0.502 109.314 108.800 0.020 0.000 2.245 178 G HA2 -0.229 3.731 3.960 0.000 0.000 0.264 178 G HA3 -0.229 3.731 3.960 0.000 0.000 0.264 178 G C 0.265 175.176 174.900 0.019 0.000 0.985 178 G CA 0.735 45.849 45.100 0.024 0.000 0.625 178 G HN 1.858 nan 8.290 nan 0.000 0.536 179 S N -0.693 115.015 115.700 0.013 0.000 2.599 179 S HA 0.807 5.277 4.470 0.000 0.000 0.294 179 S C -0.127 174.474 174.600 0.002 0.000 1.094 179 S CA -0.984 57.220 58.200 0.007 0.000 0.931 179 S CB 2.422 65.630 63.200 0.014 0.000 1.093 179 S HN 0.565 nan 8.310 nan 0.000 0.488 180 I N 1.621 122.188 120.570 -0.005 0.000 2.581 180 I HA 0.345 4.515 4.170 0.000 0.000 0.288 180 I C -0.064 176.060 176.117 0.012 0.000 1.047 180 I CA -0.006 61.293 61.300 -0.002 0.000 1.374 180 I CB 1.536 39.531 38.000 -0.007 0.000 1.423 180 I HN 0.682 nan 8.210 nan 0.000 0.549 181 T N 5.039 119.604 114.554 0.018 0.000 3.011 181 T HA 0.195 4.545 4.350 0.000 0.000 0.303 181 T C -0.764 173.963 174.700 0.046 0.000 0.997 181 T CA -0.598 61.524 62.100 0.035 0.000 1.007 181 T CB 1.348 70.230 68.868 0.024 0.000 1.017 181 T HN 0.578 nan 8.240 nan 0.000 0.443 182 E N 4.065 124.318 120.200 0.088 0.000 2.166 182 E HA 0.502 4.852 4.350 0.000 0.000 0.275 182 E C -1.041 175.658 176.600 0.166 0.000 0.941 182 E CA -0.672 55.803 56.400 0.125 0.000 0.784 182 E CB 0.806 30.605 29.700 0.165 0.000 1.115 182 E HN 0.497 nan 8.360 nan 0.000 0.399 183 L N 6.630 127.901 121.223 0.079 0.000 2.298 183 L HA 0.481 4.821 4.340 0.000 0.000 0.284 183 L C -0.765 176.113 176.870 0.013 0.000 1.013 183 L CA -0.885 53.911 54.840 -0.074 0.000 0.824 183 L CB 0.327 42.210 42.059 -0.294 0.000 1.221 183 L HN 0.519 nan 8.230 nan 0.000 0.418 184 F N 1.164 121.106 119.950 -0.013 0.000 2.599 184 F HA 1.004 5.532 4.527 0.000 0.000 0.311 184 F C -0.028 175.830 175.800 0.097 0.000 1.076 184 F CA -0.797 57.215 58.000 0.020 0.000 0.937 184 F CB 2.081 41.114 39.000 0.055 0.000 1.282 184 F HN 0.465 nan 8.300 nan 0.000 0.460 185 G N 0.840 109.807 108.800 0.280 0.000 2.322 185 G HA2 0.324 4.284 3.960 0.000 0.000 0.295 185 G HA3 0.324 4.284 3.960 0.000 0.000 0.295 185 G C -1.977 173.036 174.900 0.190 0.000 1.369 185 G CA -1.093 44.142 45.100 0.225 0.000 0.821 185 G HN 0.816 nan 8.290 nan 0.000 0.536 186 E N -0.539 119.765 120.200 0.173 0.000 2.392 186 E HA 0.301 4.651 4.350 0.000 0.000 0.256 186 E C -0.295 176.409 176.600 0.173 0.000 1.145 186 E CA -0.431 56.075 56.400 0.177 0.000 0.929 186 E CB 1.150 30.945 29.700 0.159 0.000 0.998 186 E HN 0.336 nan 8.360 nan 0.000 0.442 187 F N 1.084 121.074 119.950 0.068 0.000 2.646 187 F HA -0.124 4.403 4.527 0.000 0.000 0.363 187 F C 1.075 176.911 175.800 0.060 0.000 1.143 187 F CA 0.812 58.848 58.000 0.060 0.000 1.356 187 F CB 0.243 39.273 39.000 0.049 0.000 1.055 187 F HN 0.452 nan 8.300 nan 0.000 0.606 188 R N 1.444 121.698 120.500 -0.410 0.000 3.225 188 R HA -0.190 4.150 4.340 0.000 0.000 0.245 188 R C 0.277 176.565 176.300 -0.020 0.000 0.928 188 R CA 0.899 56.899 56.100 -0.166 0.000 0.632 188 R CB -2.077 28.230 30.300 0.012 0.000 1.038 188 R HN 0.782 nan 8.270 nan 0.000 0.461 189 T N -3.723 110.831 114.554 -0.000 0.000 3.228 189 T HA 0.418 4.768 4.350 0.000 0.000 0.278 189 T C 1.091 175.895 174.700 0.174 0.000 1.014 189 T CA 0.212 62.360 62.100 0.081 0.000 0.904 189 T CB 1.387 70.328 68.868 0.122 0.000 1.110 189 T HN 0.638 nan 8.240 nan 0.000 0.541 190 G N 1.611 110.493 108.800 0.135 0.000 2.134 190 G HA2 -0.239 3.722 3.960 0.000 0.000 0.209 190 G HA3 -0.239 3.722 3.960 0.000 0.000 0.209 190 G C 0.650 175.677 174.900 0.212 0.000 0.993 190 G CA 0.257 45.532 45.100 0.292 0.000 0.669 190 G HN 0.545 nan 8.290 nan 0.000 0.519 191 K N 0.262 120.633 120.400 -0.050 0.000 2.019 191 K HA 0.204 4.524 4.320 0.000 0.000 0.209 191 K C 2.579 179.140 176.600 -0.065 0.000 1.032 191 K CA 0.885 57.020 56.287 -0.253 0.000 0.947 191 K CB -0.616 31.688 32.500 -0.327 0.000 0.757 191 K HN 0.180 nan 8.250 nan 0.000 0.444 192 S N 1.161 116.850 115.700 -0.017 0.000 2.426 192 S HA -0.290 4.180 4.470 0.000 0.000 0.259 192 S C 2.092 176.866 174.600 0.290 0.000 1.096 192 S CA 1.918 60.198 58.200 0.133 0.000 1.219 192 S CB -0.369 62.898 63.200 0.111 0.000 1.124 192 S HN 0.236 nan 8.310 nan 0.000 0.436 193 Q N 0.574 120.497 119.800 0.205 0.000 2.096 193 Q HA -0.143 4.197 4.340 0.000 0.000 0.208 193 Q C 2.292 178.451 176.000 0.265 0.000 0.993 193 Q CA 1.681 57.618 55.803 0.224 0.000 0.862 193 Q CB -1.000 27.826 28.738 0.148 0.000 0.915 193 Q HN 0.659 nan 8.270 nan 0.000 0.416 194 L N 0.006 121.317 121.223 0.145 0.000 1.994 194 L HA -0.226 4.114 4.340 0.000 0.000 0.208 194 L C 2.411 179.332 176.870 0.085 0.000 1.071 194 L CA 1.411 56.289 54.840 0.063 0.000 0.745 194 L CB -0.355 41.670 42.059 -0.056 0.000 0.892 194 L HN 0.281 nan 8.230 nan 0.000 0.431 195 C N -0.175 119.162 119.300 0.061 0.000 2.363 195 C HA -0.283 4.177 4.460 0.000 0.000 0.274 195 C C 2.364 177.419 174.990 0.109 0.000 1.183 195 C CA 1.335 60.377 59.018 0.040 0.000 1.771 195 C CB -1.718 26.012 27.740 -0.017 0.000 2.059 195 C HN 0.626 nan 8.230 nan 0.000 0.455 196 H N 0.564 119.764 119.070 0.216 0.000 2.296 196 H HA -0.160 4.396 4.556 0.000 0.000 0.291 196 H C 2.285 177.691 175.328 0.130 0.000 1.074 196 H CA 2.454 58.618 56.048 0.193 0.000 1.176 196 H CB -1.135 28.711 29.762 0.140 0.000 1.357 196 H HN 0.388 nan 8.280 nan 0.000 0.520 197 T N 1.284 115.992 114.554 0.258 0.000 2.481 197 T HA -0.322 4.028 4.350 0.000 0.000 0.252 197 T C 2.200 176.936 174.700 0.059 0.000 1.242 197 T CA 1.892 64.083 62.100 0.152 0.000 1.170 197 T CB -0.879 68.070 68.868 0.135 0.000 0.860 197 T HN 0.198 nan 8.240 nan 0.000 0.422 198 L N 0.644 121.887 121.223 0.033 0.000 2.113 198 L HA -0.317 4.024 4.340 0.000 0.000 0.221 198 L C 2.711 179.585 176.870 0.006 0.000 1.084 198 L CA 1.654 56.491 54.840 -0.006 0.000 0.787 198 L CB -0.628 41.430 42.059 -0.002 0.000 0.893 198 L HN 0.423 nan 8.230 nan 0.000 0.440 199 A N -1.800 121.059 122.820 0.065 0.000 2.248 199 A HA 0.014 4.334 4.320 0.000 0.000 0.210 199 A C 1.902 179.514 177.584 0.045 0.000 1.174 199 A CA 1.344 53.436 52.037 0.091 0.000 0.750 199 A CB -0.133 18.966 19.000 0.166 0.000 0.780 199 A HN 0.325 nan 8.150 nan 0.000 0.478 200 V N -1.565 118.348 119.914 -0.001 0.000 3.058 200 V HA -0.068 4.052 4.120 0.000 0.000 0.233 200 V C 2.301 178.295 176.094 -0.165 0.000 1.255 200 V CA 1.408 63.678 62.300 -0.050 0.000 1.267 200 V CB -0.320 31.496 31.823 -0.011 0.000 1.049 200 V HN 0.624 nan 8.190 nan 0.000 0.486 201 T N -0.655 113.738 114.554 -0.270 0.000 3.202 201 T HA -0.186 4.164 4.350 0.000 0.000 0.267 201 T C 1.462 176.041 174.700 -0.202 0.000 1.183 201 T CA 1.161 63.036 62.100 -0.375 0.000 1.055 201 T CB -1.353 67.263 68.868 -0.420 0.000 0.898 201 T HN 0.731 nan 8.240 nan 0.000 0.555 202 C N -0.717 118.506 119.300 -0.128 0.000 2.926 202 C HA 0.369 4.829 4.460 0.000 0.000 0.272 202 C C 2.037 176.977 174.990 -0.083 0.000 1.249 202 C CA -0.588 58.380 59.018 -0.083 0.000 1.691 202 C CB -0.747 26.967 27.740 -0.044 0.000 1.983 202 C HN 0.540 nan 8.230 nan 0.000 0.615 203 Q N 0.628 120.369 119.800 -0.098 0.000 2.384 203 Q HA 0.291 4.631 4.340 0.000 0.000 0.207 203 Q C 0.210 176.162 176.000 -0.080 0.000 0.904 203 Q CA 0.076 55.827 55.803 -0.087 0.000 0.933 203 Q CB 0.477 29.170 28.738 -0.075 0.000 1.077 203 Q HN 0.529 nan 8.270 nan 0.000 0.522 204 I N 2.387 122.892 120.570 -0.108 0.000 2.638 204 I HA 0.160 4.330 4.170 0.000 0.000 0.286 204 I C -2.179 173.902 176.117 -0.058 0.000 1.088 204 I CA -3.114 58.132 61.300 -0.090 0.000 1.397 204 I CB 0.076 37.983 38.000 -0.155 0.000 1.414 204 I HN -0.205 nan 8.210 nan 0.000 0.566 205 P HA 0.091 nan 4.420 nan 0.000 0.262 205 P C 1.114 178.404 177.300 -0.017 0.000 1.199 205 P CA 0.027 63.116 63.100 -0.019 0.000 0.763 205 P CB 0.436 32.133 31.700 -0.005 0.000 0.790 206 L N 2.731 123.943 121.223 -0.019 0.000 2.151 206 L HA -0.320 4.020 4.340 0.000 0.000 0.219 206 L C 1.963 178.827 176.870 -0.011 0.000 1.083 206 L CA 1.960 56.790 54.840 -0.017 0.000 0.782 206 L CB -0.789 41.262 42.059 -0.014 0.000 0.891 206 L HN 0.517 nan 8.230 nan 0.000 0.439 207 D N 0.018 120.416 120.400 -0.005 0.000 2.178 207 D HA -0.185 4.455 4.640 0.000 0.000 0.202 207 D C 2.060 178.366 176.300 0.008 0.000 0.974 207 D CA 1.383 55.383 54.000 0.001 0.000 0.841 207 D CB -0.276 40.526 40.800 0.003 0.000 0.953 207 D HN 0.475 nan 8.370 nan 0.000 0.478 208 I N -0.122 120.456 120.570 0.014 0.000 2.406 208 I HA 0.116 4.287 4.170 0.000 0.000 0.249 208 I C 2.215 178.346 176.117 0.024 0.000 1.122 208 I CA 1.336 62.656 61.300 0.033 0.000 1.431 208 I CB 0.078 38.115 38.000 0.061 0.000 1.087 208 I HN 0.304 nan 8.210 nan 0.000 0.424 209 G N -0.452 108.344 108.800 -0.006 0.000 3.758 209 G HA2 -0.021 3.939 3.960 0.000 0.000 0.206 209 G HA3 -0.021 3.939 3.960 0.000 0.000 0.206 209 G C 0.738 175.607 174.900 -0.052 0.000 0.946 209 G CA -0.119 44.967 45.100 -0.023 0.000 0.885 209 G HN 0.448 nan 8.290 nan 0.000 0.392 210 G N -0.148 108.606 108.800 -0.076 0.000 2.479 210 G HA2 0.466 4.426 3.960 0.000 0.000 0.275 210 G HA3 0.466 4.426 3.960 0.000 0.000 0.275 210 G C 1.056 175.922 174.900 -0.057 0.000 1.421 210 G CA 0.580 45.627 45.100 -0.089 0.000 1.059 210 G HN 1.274 nan 8.290 nan 0.000 0.535 211 G N -2.325 106.441 108.800 -0.056 0.000 3.342 211 G HA2 0.380 4.341 3.960 0.000 0.000 0.252 211 G HA3 0.380 4.341 3.960 0.000 0.000 0.252 211 G C 0.397 175.275 174.900 -0.037 0.000 1.011 211 G CA 0.718 45.796 45.100 -0.036 0.000 0.869 211 G HN 0.688 nan 8.290 nan 0.000 0.514 212 E N -1.246 118.924 120.200 -0.049 0.000 3.426 212 E HA -0.183 4.167 4.350 0.000 0.000 0.291 212 E C 1.067 177.628 176.600 -0.064 0.000 0.898 212 E CA 0.437 56.807 56.400 -0.050 0.000 0.970 212 E CB -1.160 28.520 29.700 -0.034 0.000 1.489 212 E HN 0.551 nan 8.360 nan 0.000 0.461 213 G N 0.047 108.805 108.800 -0.069 0.000 2.552 213 G HA2 0.484 4.445 3.960 0.000 0.000 0.324 213 G HA3 0.484 4.445 3.960 0.000 0.000 0.324 213 G C -0.016 174.777 174.900 -0.178 0.000 1.217 213 G CA -0.667 44.369 45.100 -0.106 0.000 0.989 213 G HN -0.104 nan 8.290 nan 0.000 0.490 214 K N -1.586 118.590 120.400 -0.373 0.000 2.614 214 K HA 0.391 4.711 4.320 0.000 0.000 0.275 214 K C -0.613 175.829 176.600 -0.263 0.000 1.055 214 K CA -0.053 55.916 56.287 -0.529 0.000 0.961 214 K CB 0.683 32.456 32.500 -1.211 0.000 1.220 214 K HN 0.430 nan 8.250 nan 0.000 0.491 215 C N 0.873 120.100 119.300 -0.122 0.000 2.701 215 C HA 0.478 4.938 4.460 0.000 0.000 0.336 215 C C -1.406 173.777 174.990 0.321 0.000 1.123 215 C CA -0.878 58.245 59.018 0.175 0.000 1.326 215 C CB 0.289 28.088 27.740 0.100 0.000 1.833 215 C HN 0.654 nan 8.230 nan 0.000 0.473 216 L N 5.696 127.094 121.223 0.292 0.000 2.272 216 L HA 0.615 4.955 4.340 0.000 0.000 0.289 216 L C -1.256 175.648 176.870 0.056 0.000 1.032 216 L CA -0.151 54.772 54.840 0.139 0.000 0.810 216 L CB 1.014 43.037 42.059 -0.060 0.000 1.205 216 L HN 0.783 nan 8.230 nan 0.000 0.422 217 Y N 6.014 126.257 120.300 -0.094 0.000 2.332 217 Y HA 0.528 5.078 4.550 0.000 0.000 0.326 217 Y C -0.765 174.977 175.900 -0.264 0.000 0.978 217 Y CA -0.809 57.177 58.100 -0.191 0.000 1.205 217 Y CB 1.085 39.370 38.460 -0.292 0.000 1.131 217 Y HN 0.403 nan 8.280 nan 0.000 0.462 218 I N 5.584 125.979 120.570 -0.292 0.000 2.312 218 I HA 0.177 4.347 4.170 0.000 0.000 0.290 218 I C -0.887 175.086 176.117 -0.241 0.000 1.008 218 I CA -0.392 60.764 61.300 -0.239 0.000 1.226 218 I CB 1.189 39.092 38.000 -0.162 0.000 1.371 218 I HN 0.596 nan 8.210 nan 0.000 0.468 219 D N 3.995 124.293 120.400 -0.170 0.000 2.408 219 D HA 0.244 4.884 4.640 0.000 0.000 0.243 219 D C 0.858 177.112 176.300 -0.076 0.000 1.075 219 D CA -0.407 53.583 54.000 -0.018 0.000 0.832 219 D CB 1.555 42.464 40.800 0.182 0.000 1.162 219 D HN 0.620 nan 8.370 nan 0.000 0.515 220 T N 0.696 115.222 114.554 -0.047 0.000 3.021 220 T HA 0.002 4.352 4.350 0.000 0.000 0.245 220 T C 1.318 175.999 174.700 -0.032 0.000 1.028 220 T CA 0.116 62.172 62.100 -0.074 0.000 1.139 220 T CB -0.105 68.722 68.868 -0.070 0.000 0.884 220 T HN 0.244 nan 8.240 nan 0.000 0.457 221 E N 2.241 122.463 120.200 0.038 0.000 2.005 221 E HA 0.076 4.427 4.350 0.000 0.000 0.198 221 E C 1.974 178.618 176.600 0.073 0.000 1.010 221 E CA 1.711 58.157 56.400 0.076 0.000 0.825 221 E CB -0.858 28.927 29.700 0.141 0.000 0.769 221 E HN 0.763 nan 8.360 nan 0.000 0.456 222 G N -0.036 108.841 108.800 0.127 0.000 2.559 222 G HA2 -0.184 3.776 3.960 0.000 0.000 0.202 222 G HA3 -0.184 3.776 3.960 0.000 0.000 0.202 222 G C 0.770 175.780 174.900 0.184 0.000 0.992 222 G CA 0.552 45.736 45.100 0.139 0.000 0.764 222 G HN 0.332 nan 8.290 nan 0.000 0.525 223 T N -1.423 113.261 114.554 0.217 0.000 3.278 223 T HA 0.488 4.838 4.350 0.000 0.000 0.251 223 T C 0.274 175.122 174.700 0.246 0.000 1.039 223 T CA -0.455 61.764 62.100 0.197 0.000 0.935 223 T CB -0.251 68.731 68.868 0.190 0.000 1.034 223 T HN 0.505 nan 8.240 nan 0.000 0.575 224 F N 2.891 122.916 119.950 0.124 0.000 2.375 224 F HA 0.686 5.213 4.527 0.000 0.000 0.362 224 F C -0.257 175.477 175.800 -0.111 0.000 1.129 224 F CA -1.664 56.361 58.000 0.042 0.000 1.154 224 F CB 0.507 39.552 39.000 0.075 0.000 1.205 224 F HN -0.097 nan 8.300 nan 0.000 0.513 225 R N 7.480 127.544 120.500 -0.727 0.000 2.360 225 R HA 0.404 4.745 4.340 0.000 0.000 0.318 225 R C -2.033 173.791 176.300 -0.794 0.000 0.950 225 R CA -2.622 53.098 56.100 -0.634 0.000 0.837 225 R CB 1.037 31.149 30.300 -0.313 0.000 1.165 225 R HN 0.319 nan 8.270 nan 0.000 0.458 226 P HA -0.126 nan 4.420 nan 0.000 0.215 226 P C 0.892 178.017 177.300 -0.292 0.000 1.157 226 P CA 0.662 63.457 63.100 -0.508 0.000 0.859 226 P CB 0.245 31.766 31.700 -0.299 0.000 0.786 227 V N 0.237 120.014 119.914 -0.229 0.000 2.295 227 V HA -0.351 3.769 4.120 0.000 0.000 0.262 227 V C 2.230 178.246 176.094 -0.130 0.000 1.098 227 V CA 2.281 64.493 62.300 -0.147 0.000 1.095 227 V CB -1.401 30.343 31.823 -0.132 0.000 0.704 227 V HN 0.111 nan 8.190 nan 0.000 0.454 228 R N -0.785 119.613 120.500 -0.170 0.000 2.369 228 R HA 0.091 4.431 4.340 0.000 0.000 0.200 228 R C 1.795 178.047 176.300 -0.080 0.000 1.046 228 R CA 0.478 56.494 56.100 -0.141 0.000 1.057 228 R CB -0.160 30.012 30.300 -0.213 0.000 0.888 228 R HN 0.561 nan 8.270 nan 0.000 0.474 229 L N -1.160 120.031 121.223 -0.054 0.000 2.388 229 L HA -0.009 4.331 4.340 0.000 0.000 0.209 229 L C 2.137 179.023 176.870 0.026 0.000 1.061 229 L CA 0.188 55.040 54.840 0.020 0.000 0.834 229 L CB -0.155 41.925 42.059 0.035 0.000 1.029 229 L HN 0.079 nan 8.230 nan 0.000 0.473 230 V N -1.971 117.942 119.914 -0.002 0.000 2.215 230 V HA -0.344 3.776 4.120 0.000 0.000 0.249 230 V C 2.401 178.506 176.094 0.019 0.000 1.054 230 V CA 2.424 64.727 62.300 0.006 0.000 1.012 230 V CB -1.531 30.284 31.823 -0.012 0.000 0.639 230 V HN 0.451 nan 8.190 nan 0.000 0.448 231 S N 1.278 116.981 115.700 0.006 0.000 2.413 231 S HA -0.204 4.266 4.470 0.000 0.000 0.237 231 S C 1.835 176.455 174.600 0.033 0.000 1.044 231 S CA 2.396 60.602 58.200 0.009 0.000 1.024 231 S CB -0.823 62.377 63.200 0.000 0.000 0.829 231 S HN 0.712 nan 8.310 nan 0.000 0.475 232 I N 1.469 122.080 120.570 0.068 0.000 2.296 232 I HA -0.048 4.122 4.170 0.000 0.000 0.242 232 I C 2.893 179.134 176.117 0.207 0.000 1.087 232 I CA 0.837 62.221 61.300 0.141 0.000 1.393 232 I CB -0.920 37.178 38.000 0.165 0.000 1.093 232 I HN 0.300 nan 8.210 nan 0.000 0.421 233 A N 0.911 123.821 122.820 0.150 0.000 1.859 233 A HA -0.317 4.003 4.320 0.000 0.000 0.217 233 A C 2.262 179.929 177.584 0.138 0.000 1.198 233 A CA 2.071 54.197 52.037 0.149 0.000 0.629 233 A CB -0.999 18.048 19.000 0.079 0.000 0.830 233 A HN 0.469 nan 8.150 nan 0.000 0.446 234 Q N -1.276 118.566 119.800 0.070 0.000 2.082 234 Q HA -0.296 4.044 4.340 0.000 0.000 0.211 234 Q C 2.356 178.356 176.000 0.000 0.000 1.002 234 Q CA 2.090 57.910 55.803 0.029 0.000 0.868 234 Q CB -0.326 28.414 28.738 0.002 0.000 0.931 234 Q HN 0.691 nan 8.270 nan 0.000 0.414 235 R N -0.267 120.211 120.500 -0.037 0.000 2.211 235 R HA -0.167 4.173 4.340 0.000 0.000 0.240 235 R C 0.825 176.901 176.300 -0.373 0.000 1.144 235 R CA 1.271 57.239 56.100 -0.219 0.000 0.992 235 R CB -0.014 30.114 30.300 -0.286 0.000 0.869 235 R HN 0.254 nan 8.270 nan 0.000 0.462 236 F N -0.497 119.447 119.950 -0.008 0.000 2.661 236 F HA 0.320 4.847 4.527 0.000 0.000 0.306 236 F C 0.667 176.462 175.800 -0.009 0.000 1.094 236 F CA 0.303 58.298 58.000 -0.008 0.000 1.254 236 F CB 1.269 40.267 39.000 -0.003 0.000 1.040 236 F HN 0.138 nan 8.300 nan 0.000 0.562 237 G N 2.365 111.229 108.800 0.107 0.000 2.883 237 G HA2 -0.191 3.769 3.960 0.000 0.000 0.219 237 G HA3 -0.191 3.769 3.960 0.000 0.000 0.219 237 G C -1.034 173.907 174.900 0.068 0.000 0.908 237 G CA -0.405 44.733 45.100 0.063 0.000 0.978 237 G HN 0.294 nan 8.290 nan 0.000 0.365 238 L N 2.302 123.556 121.223 0.051 0.000 2.705 238 L HA 0.227 4.567 4.340 0.000 0.000 0.260 238 L C -0.571 176.313 176.870 0.024 0.000 0.921 238 L CA -1.231 53.631 54.840 0.038 0.000 0.948 238 L CB 1.808 43.897 42.059 0.049 0.000 1.427 238 L HN 0.407 nan 8.230 nan 0.000 0.432 239 D N 4.981 125.389 120.400 0.012 0.000 2.383 239 D HA 0.009 4.650 4.640 0.000 0.000 0.275 239 D C -1.613 174.691 176.300 0.007 0.000 1.344 239 D CA -0.765 53.239 54.000 0.007 0.000 0.984 239 D CB 1.085 41.886 40.800 0.001 0.000 1.104 239 D HN 0.212 nan 8.370 nan 0.000 0.524 240 P HA -0.244 nan 4.420 nan 0.000 0.207 240 P C 1.162 178.463 177.300 0.002 0.000 0.954 240 P CA 1.218 64.323 63.100 0.007 0.000 0.990 240 P CB -0.001 31.700 31.700 0.002 0.000 0.721 241 D N -1.228 119.171 120.400 -0.003 0.000 2.381 241 D HA -0.250 4.391 4.640 0.000 0.000 0.212 241 D C 1.341 177.639 176.300 -0.002 0.000 0.988 241 D CA 1.420 55.418 54.000 -0.004 0.000 0.942 241 D CB -0.751 40.046 40.800 -0.005 0.000 0.882 241 D HN 0.290 nan 8.370 nan 0.000 0.480 242 D N 0.545 120.943 120.400 -0.002 0.000 2.369 242 D HA 0.060 4.700 4.640 0.000 0.000 0.231 242 D C 2.111 178.406 176.300 -0.008 0.000 0.967 242 D CA 1.155 55.152 54.000 -0.005 0.000 0.905 242 D CB 0.086 40.883 40.800 -0.006 0.000 1.044 242 D HN 0.157 nan 8.370 nan 0.000 0.487 243 A N 1.527 124.346 122.820 -0.003 0.000 1.908 243 A HA -0.110 4.210 4.320 0.000 0.000 0.218 243 A C 2.582 180.168 177.584 0.003 0.000 1.181 243 A CA 1.107 53.142 52.037 -0.003 0.000 0.627 243 A CB -0.838 18.169 19.000 0.011 0.000 0.818 243 A HN 0.354 nan 8.150 nan 0.000 0.445 244 L N -0.426 120.803 121.223 0.010 0.000 2.017 244 L HA -0.183 4.157 4.340 0.000 0.000 0.208 244 L C 2.210 179.092 176.870 0.019 0.000 1.073 244 L CA 1.397 56.250 54.840 0.021 0.000 0.745 244 L CB -0.812 41.254 42.059 0.011 0.000 0.894 244 L HN 0.439 nan 8.230 nan 0.000 0.432 245 N N 0.630 119.334 118.700 0.007 0.000 2.635 245 N HA -0.151 4.589 4.740 0.000 0.000 0.191 245 N C 0.645 176.147 175.510 -0.013 0.000 1.155 245 N CA 0.638 53.691 53.050 0.005 0.000 0.927 245 N CB -0.119 38.368 38.487 0.000 0.000 0.976 245 N HN 0.273 nan 8.380 nan 0.000 0.448 246 N N -0.354 118.332 118.700 -0.024 0.000 2.328 246 N HA 0.165 4.905 4.740 0.000 0.000 0.247 246 N C -1.539 173.934 175.510 -0.062 0.000 1.165 246 N CA 0.003 53.010 53.050 -0.071 0.000 0.873 246 N CB 0.695 39.136 38.487 -0.077 0.000 1.125 246 N HN -0.195 nan 8.380 nan 0.000 0.513 247 V N 0.535 120.454 119.914 0.009 0.000 2.612 247 V HA 0.624 4.744 4.120 0.000 0.000 0.301 247 V C -0.777 175.392 176.094 0.126 0.000 1.059 247 V CA -1.243 61.099 62.300 0.069 0.000 0.886 247 V CB 1.619 33.497 31.823 0.091 0.000 1.007 247 V HN 0.156 nan 8.190 nan 0.000 0.426 248 A N 4.884 127.811 122.820 0.178 0.000 2.269 248 A HA 0.694 5.015 4.320 0.000 0.000 0.302 248 A C -1.133 176.550 177.584 0.164 0.000 1.266 248 A CA -0.224 51.923 52.037 0.183 0.000 0.894 248 A CB 0.116 19.248 19.000 0.220 0.000 1.147 248 A HN 0.890 nan 8.150 nan 0.000 0.537 249 Y N 2.683 123.006 120.300 0.037 0.000 2.331 249 Y HA 0.572 5.122 4.550 0.000 0.000 0.338 249 Y C -0.031 175.883 175.900 0.023 0.000 0.992 249 Y CA -0.696 57.399 58.100 -0.009 0.000 1.121 249 Y CB 1.348 39.816 38.460 0.013 0.000 1.184 249 Y HN 0.832 nan 8.280 nan 0.000 0.469 250 A N 6.191 128.616 122.820 -0.658 0.000 2.374 250 A HA 0.691 5.011 4.320 0.000 0.000 0.305 250 A C -1.393 175.753 177.584 -0.730 0.000 1.053 250 A CA -0.947 50.766 52.037 -0.540 0.000 0.726 250 A CB 1.038 19.878 19.000 -0.268 0.000 1.229 250 A HN 0.736 nan 8.150 nan 0.000 0.431 251 R N 2.320 122.516 120.500 -0.507 0.000 2.215 251 R HA 0.629 4.969 4.340 0.000 0.000 0.336 251 R C -0.234 175.902 176.300 -0.273 0.000 0.996 251 R CA 0.181 56.054 56.100 -0.379 0.000 0.847 251 R CB 0.780 30.917 30.300 -0.272 0.000 1.127 251 R HN 0.914 nan 8.270 nan 0.000 0.465 252 A N 4.850 127.487 122.820 -0.305 0.000 2.302 252 A HA 0.289 4.609 4.320 0.000 0.000 0.295 252 A C -0.617 176.904 177.584 -0.107 0.000 1.235 252 A CA -0.415 51.481 52.037 -0.234 0.000 0.876 252 A CB 0.015 18.863 19.000 -0.254 0.000 1.133 252 A HN 0.902 nan 8.150 nan 0.000 0.533 253 Y N 1.436 121.823 120.300 0.145 0.000 2.509 253 Y HA 0.114 4.664 4.550 0.000 0.000 0.270 253 Y C 0.766 176.677 175.900 0.018 0.000 1.103 253 Y CA 0.365 58.514 58.100 0.081 0.000 1.278 253 Y CB 0.139 38.654 38.460 0.092 0.000 1.087 253 Y HN 0.845 nan 8.280 nan 0.000 0.542 254 N N -1.412 117.391 118.700 0.172 0.000 2.324 254 N HA 0.443 5.183 4.740 0.000 0.000 0.285 254 N C 0.470 175.915 175.510 -0.108 0.000 1.076 254 N CA -0.090 52.962 53.050 0.002 0.000 0.864 254 N CB 1.293 39.787 38.487 0.012 0.000 1.632 254 N HN -0.026 nan 8.380 nan 0.000 0.478 255 A N 1.184 123.816 122.820 -0.314 0.000 1.969 255 A HA -0.365 3.955 4.320 0.000 0.000 0.223 255 A C 1.609 178.970 177.584 -0.372 0.000 1.218 255 A CA 2.316 54.007 52.037 -0.576 0.000 0.667 255 A CB -1.031 17.467 19.000 -0.836 0.000 0.826 255 A HN 0.902 nan 8.150 nan 0.000 0.472 256 D N -1.854 118.412 120.400 -0.225 0.000 2.087 256 D HA -0.216 4.424 4.640 0.000 0.000 0.203 256 D C 1.737 178.109 176.300 0.120 0.000 0.976 256 D CA 1.462 55.458 54.000 -0.006 0.000 0.865 256 D CB -0.640 40.172 40.800 0.019 0.000 1.005 256 D HN 0.694 nan 8.370 nan 0.000 0.449 257 H N 0.446 119.516 119.070 0.000 0.000 2.391 257 H HA -0.248 4.308 4.556 0.000 0.000 0.283 257 H C 2.112 177.471 175.328 0.052 0.000 1.132 257 H CA 2.055 58.121 56.048 0.031 0.000 1.154 257 H CB -0.038 29.748 29.762 0.040 0.000 1.351 257 H HN 0.296 nan 8.280 nan 0.000 0.474 258 Q N -0.296 119.485 119.800 -0.033 0.000 2.449 258 Q HA -0.156 4.184 4.340 0.000 0.000 0.214 258 Q C 1.805 177.928 176.000 0.204 0.000 0.986 258 Q CA 1.153 56.928 55.803 -0.047 0.000 0.893 258 Q CB 0.130 28.768 28.738 -0.166 0.000 0.940 258 Q HN 0.419 nan 8.270 nan 0.000 0.477 259 L N -0.947 120.416 121.223 0.233 0.000 2.467 259 L HA 0.119 4.460 4.340 0.000 0.000 0.213 259 L C 1.934 178.904 176.870 0.168 0.000 1.053 259 L CA 0.899 55.907 54.840 0.280 0.000 0.847 259 L CB -0.144 42.114 42.059 0.333 0.000 1.075 259 L HN -0.065 nan 8.230 nan 0.000 0.479 260 R N -0.478 120.125 120.500 0.172 0.000 2.119 260 R HA -0.194 4.146 4.340 0.000 0.000 0.246 260 R C 2.101 178.472 176.300 0.120 0.000 1.146 260 R CA 2.006 58.200 56.100 0.156 0.000 0.962 260 R CB -0.573 29.855 30.300 0.213 0.000 0.863 260 R HN 0.341 nan 8.270 nan 0.000 0.442 261 L N 0.482 121.758 121.223 0.090 0.000 1.955 261 L HA -0.246 4.094 4.340 0.000 0.000 0.213 261 L C 2.474 179.349 176.870 0.007 0.000 1.072 261 L CA 1.413 56.265 54.840 0.020 0.000 0.755 261 L CB -0.700 41.314 42.059 -0.074 0.000 0.888 261 L HN 0.244 nan 8.230 nan 0.000 0.432 262 L N -0.299 120.934 121.223 0.016 0.000 2.113 262 L HA -0.384 3.956 4.340 0.000 0.000 0.221 262 L C 2.445 179.314 176.870 -0.003 0.000 1.084 262 L CA 1.700 56.528 54.840 -0.020 0.000 0.787 262 L CB -0.754 41.280 42.059 -0.041 0.000 0.893 262 L HN 0.504 nan 8.230 nan 0.000 0.440 263 D N -0.101 120.320 120.400 0.035 0.000 2.077 263 D HA -0.174 4.466 4.640 0.000 0.000 0.193 263 D C 2.089 178.414 176.300 0.041 0.000 0.989 263 D CA 1.570 55.609 54.000 0.064 0.000 0.831 263 D CB 0.129 40.980 40.800 0.085 0.000 0.979 263 D HN 0.293 nan 8.370 nan 0.000 0.449 264 A N 0.546 123.382 122.820 0.025 0.000 2.148 264 A HA -0.092 4.228 4.320 0.000 0.000 0.222 264 A C 2.028 179.563 177.584 -0.082 0.000 1.161 264 A CA 2.072 54.101 52.037 -0.013 0.000 0.662 264 A CB -0.492 18.515 19.000 0.012 0.000 0.799 264 A HN 0.329 nan 8.150 nan 0.000 0.466 265 A N -1.630 121.129 122.820 -0.101 0.000 2.345 265 A HA 0.621 4.941 4.320 0.000 0.000 0.225 265 A C 1.843 179.265 177.584 -0.270 0.000 1.243 265 A CA 0.984 52.895 52.037 -0.209 0.000 0.875 265 A CB -0.367 18.502 19.000 -0.218 0.000 0.929 265 A HN 0.799 nan 8.150 nan 0.000 0.502 266 A N -0.736 121.997 122.820 -0.146 0.000 1.942 266 A HA 0.045 4.365 4.320 0.000 0.000 0.209 266 A C 1.944 179.403 177.584 -0.208 0.000 1.214 266 A CA 1.091 53.104 52.037 -0.040 0.000 0.686 266 A CB -0.439 18.684 19.000 0.206 0.000 0.871 266 A HN 0.477 nan 8.150 nan 0.000 0.460 267 Q N -0.651 118.906 119.800 -0.406 0.000 2.217 267 Q HA -0.230 4.110 4.340 0.000 0.000 0.209 267 Q C 1.909 177.708 176.000 -0.336 0.000 0.988 267 Q CA 2.269 57.695 55.803 -0.629 0.000 0.878 267 Q CB -0.234 28.264 28.738 -0.400 0.000 0.909 267 Q HN 0.727 nan 8.270 nan 0.000 0.424 268 M N -1.174 118.251 119.600 -0.292 0.000 2.276 268 M HA -0.010 4.470 4.480 0.000 0.000 0.262 268 M C 1.995 178.077 176.300 -0.363 0.000 1.098 268 M CA 0.932 56.076 55.300 -0.259 0.000 1.167 268 M CB 0.011 32.443 32.600 -0.280 0.000 1.337 268 M HN 0.217 nan 8.290 nan 0.000 0.446 269 M N -0.178 118.988 119.600 -0.723 0.000 2.706 269 M HA -0.125 4.355 4.480 0.000 0.000 0.253 269 M C 2.096 177.992 176.300 -0.674 0.000 1.063 269 M CA 0.823 55.539 55.300 -0.973 0.000 1.067 269 M CB -0.616 30.930 32.600 -1.757 0.000 1.423 269 M HN 0.318 nan 8.290 nan 0.000 0.530 270 S N 0.902 116.447 115.700 -0.259 0.000 2.327 270 S HA -0.093 4.377 4.470 0.000 0.000 0.213 270 S C 1.605 176.220 174.600 0.025 0.000 1.032 270 S CA 0.968 59.196 58.200 0.047 0.000 0.960 270 S CB 0.022 63.224 63.200 0.004 0.000 0.900 270 S HN 0.498 nan 8.310 nan 0.000 0.469 271 E N 0.860 121.049 120.200 -0.018 0.000 2.013 271 E HA -0.076 4.274 4.350 0.000 0.000 0.202 271 E C 1.199 177.826 176.600 0.045 0.000 1.018 271 E CA 1.270 57.679 56.400 0.016 0.000 0.834 271 E CB -0.242 29.461 29.700 0.006 0.000 0.770 271 E HN 0.431 nan 8.360 nan 0.000 0.459 272 S N -0.662 115.087 115.700 0.083 0.000 2.767 272 S HA 0.358 4.828 4.470 0.000 0.000 0.300 272 S C -0.503 174.180 174.600 0.139 0.000 1.123 272 S CA -0.862 57.390 58.200 0.086 0.000 0.992 272 S CB 1.348 64.574 63.200 0.043 0.000 1.138 272 S HN 0.139 nan 8.310 nan 0.000 0.550 273 R N 1.347 121.883 120.500 0.059 0.000 2.229 273 R HA 0.430 4.770 4.340 0.000 0.000 0.332 273 R C -1.610 174.716 176.300 0.043 0.000 0.989 273 R CA -0.334 55.816 56.100 0.083 0.000 0.842 273 R CB -0.007 30.306 30.300 0.022 0.000 1.119 273 R HN 0.474 nan 8.270 nan 0.000 0.456 274 F N 2.060 121.941 119.950 -0.115 0.000 2.399 274 F HA 0.408 4.935 4.527 0.000 0.000 0.328 274 F C 1.486 177.251 175.800 -0.058 0.000 1.084 274 F CA -0.129 57.813 58.000 -0.097 0.000 1.053 274 F CB 1.931 40.848 39.000 -0.139 0.000 1.209 274 F HN 0.765 nan 8.300 nan 0.000 0.502 275 S N 1.407 117.171 115.700 0.106 0.000 2.514 275 S HA 0.461 4.931 4.470 0.000 0.000 0.223 275 S C 0.045 174.680 174.600 0.058 0.000 1.046 275 S CA 0.130 58.363 58.200 0.055 0.000 0.914 275 S CB 0.206 63.406 63.200 -0.001 0.000 0.807 275 S HN 0.568 nan 8.310 nan 0.000 0.497 276 L N 0.047 121.318 121.223 0.079 0.000 2.545 276 L HA 0.693 5.033 4.340 0.000 0.000 0.258 276 L C -2.231 174.663 176.870 0.039 0.000 0.942 276 L CA -0.892 53.975 54.840 0.045 0.000 0.855 276 L CB 1.769 43.837 42.059 0.014 0.000 1.374 276 L HN 0.115 nan 8.230 nan 0.000 0.411 277 I N 3.672 124.234 120.570 -0.013 0.000 2.648 277 I HA 0.653 4.824 4.170 0.000 0.000 0.304 277 I C -0.869 175.182 176.117 -0.109 0.000 1.009 277 I CA -1.085 60.180 61.300 -0.058 0.000 1.114 277 I CB 2.170 40.121 38.000 -0.081 0.000 1.293 277 I HN 0.350 nan 8.210 nan 0.000 0.449 278 V N 5.702 125.493 119.914 -0.204 0.000 2.612 278 V HA 0.333 4.453 4.120 0.000 0.000 0.301 278 V C -0.566 175.274 176.094 -0.423 0.000 1.059 278 V CA -0.567 61.531 62.300 -0.337 0.000 0.886 278 V CB 2.252 33.757 31.823 -0.530 0.000 1.007 278 V HN 0.384 nan 8.190 nan 0.000 0.426 279 V N 3.780 123.545 119.914 -0.248 0.000 2.417 279 V HA 0.668 4.788 4.120 0.000 0.000 0.291 279 V C -0.780 175.208 176.094 -0.177 0.000 1.024 279 V CA -0.423 61.774 62.300 -0.171 0.000 0.861 279 V CB 1.911 33.755 31.823 0.035 0.000 0.985 279 V HN 1.012 nan 8.190 nan 0.000 0.436 280 D N 2.953 123.236 120.400 -0.195 0.000 2.616 280 D HA 0.386 5.027 4.640 0.000 0.000 0.238 280 D C -1.012 175.267 176.300 -0.036 0.000 1.354 280 D CA -0.077 53.855 54.000 -0.113 0.000 0.970 280 D CB 2.076 42.788 40.800 -0.146 0.000 1.369 280 D HN 0.464 nan 8.370 nan 0.000 0.585 281 S N 3.011 118.708 115.700 -0.004 0.000 2.454 281 S HA 0.299 4.770 4.470 0.000 0.000 0.306 281 S C 1.185 175.791 174.600 0.010 0.000 1.100 281 S CA -0.759 57.444 58.200 0.005 0.000 1.087 281 S CB 1.528 64.749 63.200 0.036 0.000 1.019 281 S HN 0.337 nan 8.310 nan 0.000 0.480 282 V N 5.166 125.089 119.914 0.015 0.000 2.527 282 V HA -0.212 3.909 4.120 0.000 0.000 0.255 282 V C 1.924 178.056 176.094 0.063 0.000 1.081 282 V CA 2.315 64.620 62.300 0.008 0.000 1.092 282 V CB -0.606 31.239 31.823 0.036 0.000 0.673 282 V HN 0.855 nan 8.190 nan 0.000 0.470 283 M N -0.923 118.720 119.600 0.071 0.000 2.119 283 M HA 0.305 4.786 4.480 0.000 0.000 0.230 283 M C 2.147 178.539 176.300 0.154 0.000 1.199 283 M CA 1.812 57.183 55.300 0.119 0.000 1.142 283 M CB -1.045 31.588 32.600 0.055 0.000 1.151 283 M HN 0.165 nan 8.290 nan 0.000 0.439 284 A N 0.324 123.199 122.820 0.092 0.000 2.097 284 A HA -0.273 4.047 4.320 0.000 0.000 0.234 284 A C 1.908 179.501 177.584 0.015 0.000 1.756 284 A CA 2.242 54.316 52.037 0.062 0.000 0.735 284 A CB -1.566 17.471 19.000 0.062 0.000 0.831 284 A HN 0.585 nan 8.150 nan 0.000 0.567 285 L N -2.672 118.531 121.223 -0.033 0.000 2.418 285 L HA 0.090 4.430 4.340 0.000 0.000 0.218 285 L C 1.837 178.566 176.870 -0.234 0.000 1.125 285 L CA 1.461 56.205 54.840 -0.161 0.000 0.835 285 L CB -1.133 40.759 42.059 -0.278 0.000 0.953 285 L HN 0.576 nan 8.230 nan 0.000 0.454 286 Y N -0.781 119.470 120.300 -0.081 0.000 2.490 286 Y HA -0.004 4.546 4.550 0.000 0.000 0.285 286 Y C 2.469 178.340 175.900 -0.047 0.000 1.117 286 Y CA 0.487 58.541 58.100 -0.077 0.000 1.262 286 Y CB 0.035 38.451 38.460 -0.075 0.000 1.043 286 Y HN 0.110 nan 8.280 nan 0.000 0.553 287 R N -0.713 119.836 120.500 0.081 0.000 2.055 287 R HA -0.063 4.277 4.340 0.000 0.000 0.226 287 R C 2.135 178.443 176.300 0.013 0.000 1.135 287 R CA 1.796 57.923 56.100 0.046 0.000 0.959 287 R CB -0.868 29.454 30.300 0.037 0.000 0.854 287 R HN 0.106 nan 8.270 nan 0.000 0.431 288 T N 1.298 115.850 114.554 -0.004 0.000 2.665 288 T HA -0.153 4.197 4.350 0.000 0.000 0.268 288 T C 0.717 175.396 174.700 -0.034 0.000 1.035 288 T CA 1.798 63.886 62.100 -0.019 0.000 1.151 288 T CB -0.306 68.546 68.868 -0.025 0.000 0.862 288 T HN 0.240 nan 8.240 nan 0.000 0.438 289 D N 0.522 120.882 120.400 -0.067 0.000 2.006 289 D HA 0.330 4.970 4.640 0.000 0.000 0.304 289 D C 1.429 177.706 176.300 -0.039 0.000 1.101 289 D CA 0.410 54.363 54.000 -0.078 0.000 0.903 289 D CB -1.165 39.536 40.800 -0.164 0.000 1.058 289 D HN 0.319 nan 8.370 nan 0.000 0.361 296 L N 0.588 121.826 121.223 0.025 0.000 3.732 296 L HA -0.315 4.025 4.340 0.000 0.000 0.065 296 L C 3.004 179.890 176.870 0.027 0.000 3.817 296 L CA 5.623 60.477 54.840 0.024 0.000 1.274 296 L CB -2.410 39.655 42.059 0.011 0.000 3.159 296 L HN 2.484 nan 8.230 nan 0.000 0.667 297 S N -1.769 113.941 115.700 0.016 0.000 2.121 297 S HA -0.372 4.098 4.470 0.000 0.000 0.536 297 S C 2.206 176.827 174.600 0.034 0.000 0.916 297 S CA 3.916 62.126 58.200 0.017 0.000 3.378 297 S CB -1.489 61.720 63.200 0.015 0.000 2.349 297 S HN 2.883 nan 8.310 nan 0.000 0.584 298 A N 2.284 125.132 122.820 0.047 0.000 1.906 298 A HA -0.358 3.962 4.320 0.000 0.000 0.222 298 A C 2.304 179.964 177.584 0.127 0.000 1.282 298 A CA 3.552 55.638 52.037 0.082 0.000 0.675 298 A CB -1.480 17.570 19.000 0.083 0.000 0.838 298 A HN 0.898 nan 8.150 nan 0.000 0.469 299 R N -1.116 119.453 120.500 0.115 0.000 2.096 299 R HA -0.222 4.118 4.340 0.000 0.000 0.240 299 R C 2.413 178.773 176.300 0.099 0.000 1.139 299 R CA 2.540 58.732 56.100 0.154 0.000 0.952 299 R CB -0.757 29.615 30.300 0.119 0.000 0.854 299 R HN 0.600 nan 8.270 nan 0.000 0.436 300 Q N -0.524 119.300 119.800 0.039 0.000 2.439 300 Q HA -0.027 4.313 4.340 0.000 0.000 0.211 300 Q C 2.107 178.103 176.000 -0.006 0.000 0.978 300 Q CA 2.203 57.999 55.803 -0.012 0.000 0.897 300 Q CB -0.772 27.955 28.738 -0.019 0.000 0.956 300 Q HN 0.712 nan 8.270 nan 0.000 0.483 301 M N -1.421 118.199 119.600 0.034 0.000 2.384 301 M HA 0.084 4.564 4.480 0.000 0.000 0.258 301 M C 2.191 178.515 176.300 0.041 0.000 1.130 301 M CA 1.525 56.838 55.300 0.021 0.000 1.187 301 M CB -1.271 31.339 32.600 0.016 0.000 1.307 301 M HN 0.719 nan 8.290 nan 0.000 0.468 302 H N 0.558 119.669 119.070 0.068 0.000 2.337 302 H HA -0.237 4.319 4.556 0.000 0.000 0.288 302 H C 2.202 177.600 175.328 0.116 0.000 1.117 302 H CA 2.896 59.030 56.048 0.143 0.000 1.205 302 H CB -0.404 29.514 29.762 0.260 0.000 1.353 302 H HN 0.480 nan 8.280 nan 0.000 0.480 303 L N 0.513 121.759 121.223 0.038 0.000 1.961 303 L HA -0.096 4.244 4.340 0.000 0.000 0.210 303 L C 2.792 179.641 176.870 -0.035 0.000 1.072 303 L CA 2.414 57.079 54.840 -0.291 0.000 0.749 303 L CB -1.475 40.249 42.059 -0.557 0.000 0.889 303 L HN 0.273 nan 8.230 nan 0.000 0.432 304 A N -0.177 122.627 122.820 -0.028 0.000 1.882 304 A HA -0.427 3.893 4.320 0.000 0.000 0.220 304 A C 2.453 180.071 177.584 0.057 0.000 1.253 304 A CA 2.877 54.924 52.037 0.017 0.000 0.664 304 A CB -1.144 17.851 19.000 -0.008 0.000 0.838 304 A HN 0.577 nan 8.150 nan 0.000 0.460 305 K N -2.033 118.391 120.400 0.040 0.000 2.259 305 K HA -0.237 4.083 4.320 0.000 0.000 0.206 305 K C 1.600 178.255 176.600 0.091 0.000 1.044 305 K CA 2.099 58.404 56.287 0.029 0.000 0.931 305 K CB -0.312 32.161 32.500 -0.044 0.000 0.726 305 K HN 0.558 nan 8.250 nan 0.000 0.467 306 F N 0.098 120.053 119.950 0.010 0.000 2.148 306 F HA -0.079 4.448 4.527 0.000 0.000 0.285 306 F C 1.940 177.749 175.800 0.016 0.000 1.092 306 F CA 0.788 58.814 58.000 0.043 0.000 1.218 306 F CB -0.153 38.911 39.000 0.107 0.000 1.059 306 F HN -0.100 nan 8.300 nan 0.000 0.490 307 M N 0.540 120.268 119.600 0.213 0.000 2.252 307 M HA -0.276 4.204 4.480 0.000 0.000 0.255 307 M C 2.105 178.387 176.300 -0.029 0.000 1.085 307 M CA 1.546 56.887 55.300 0.068 0.000 1.059 307 M CB -1.431 31.227 32.600 0.097 0.000 1.375 307 M HN 0.254 nan 8.290 nan 0.000 0.409 308 R N -0.644 119.844 120.500 -0.021 0.000 2.051 308 R HA 0.028 4.368 4.340 0.000 0.000 0.225 308 R C 2.332 178.578 176.300 -0.090 0.000 1.155 308 R CA 1.235 57.309 56.100 -0.042 0.000 0.945 308 R CB -0.479 29.810 30.300 -0.018 0.000 0.840 308 R HN 0.372 nan 8.270 nan 0.000 0.432 309 A N 1.635 124.390 122.820 -0.108 0.000 1.929 309 A HA -0.252 4.068 4.320 0.000 0.000 0.221 309 A C 2.207 179.679 177.584 -0.187 0.000 1.211 309 A CA 1.753 53.706 52.037 -0.140 0.000 0.657 309 A CB -1.022 17.882 19.000 -0.159 0.000 0.827 309 A HN 0.280 nan 8.150 nan 0.000 0.462 310 L N -1.327 119.708 121.223 -0.312 0.000 1.990 310 L HA -0.315 4.025 4.340 0.000 0.000 0.213 310 L C 2.906 179.704 176.870 -0.120 0.000 1.072 310 L CA 1.993 56.684 54.840 -0.248 0.000 0.755 310 L CB -0.694 41.199 42.059 -0.278 0.000 0.889 310 L HN 0.526 nan 8.230 nan 0.000 0.432 311 Q N 0.589 120.329 119.800 -0.101 0.000 2.077 311 Q HA -0.246 4.095 4.340 0.000 0.000 0.206 311 Q C 2.165 178.131 176.000 -0.057 0.000 0.989 311 Q CA 1.846 57.609 55.803 -0.067 0.000 0.853 311 Q CB -0.269 28.429 28.738 -0.068 0.000 0.907 311 Q HN 0.251 nan 8.270 nan 0.000 0.418 312 R N -0.591 119.871 120.500 -0.064 0.000 2.113 312 R HA -0.151 4.189 4.340 0.000 0.000 0.231 312 R C 2.490 178.786 176.300 -0.006 0.000 1.129 312 R CA 1.985 58.060 56.100 -0.042 0.000 0.915 312 R CB -0.791 29.492 30.300 -0.029 0.000 0.837 312 R HN 0.365 nan 8.270 nan 0.000 0.430 313 L N 0.090 121.315 121.223 0.004 0.000 2.230 313 L HA -0.316 4.024 4.340 0.000 0.000 0.217 313 L C 2.526 179.462 176.870 0.110 0.000 1.090 313 L CA 1.498 56.388 54.840 0.083 0.000 0.771 313 L CB -0.612 41.510 42.059 0.104 0.000 0.892 313 L HN 0.417 nan 8.230 nan 0.000 0.438 314 A N -0.590 122.258 122.820 0.047 0.000 1.898 314 A HA -0.152 4.169 4.320 0.000 0.000 0.214 314 A C 1.980 179.594 177.584 0.049 0.000 1.183 314 A CA 1.457 53.526 52.037 0.053 0.000 0.622 314 A CB -0.285 18.726 19.000 0.017 0.000 0.824 314 A HN 0.387 nan 8.150 nan 0.000 0.444 315 D N -0.592 119.824 120.400 0.027 0.000 2.084 315 D HA -0.187 4.454 4.640 0.000 0.000 0.196 315 D C 2.025 178.364 176.300 0.066 0.000 0.985 315 D CA 1.577 55.604 54.000 0.045 0.000 0.826 315 D CB -0.473 40.328 40.800 0.003 0.000 0.978 315 D HN 0.602 nan 8.370 nan 0.000 0.456 316 Q N -0.753 119.062 119.800 0.026 0.000 2.156 316 Q HA -0.206 4.135 4.340 0.000 0.000 0.211 316 Q C 0.961 176.664 176.000 -0.495 0.000 0.995 316 Q CA 1.731 57.368 55.803 -0.276 0.000 0.877 316 Q CB 0.015 28.466 28.738 -0.478 0.000 0.920 316 Q HN 0.251 nan 8.270 nan 0.000 0.416 317 F N -3.405 116.564 119.950 0.032 0.000 2.871 317 F HA 0.347 4.874 4.527 0.000 0.000 0.344 317 F C 1.229 177.044 175.800 0.024 0.000 1.078 317 F CA 0.368 58.380 58.000 0.019 0.000 1.149 317 F CB 1.234 40.234 39.000 0.000 0.000 1.087 317 F HN 0.146 nan 8.300 nan 0.000 0.557 318 G N 0.863 109.761 108.800 0.162 0.000 2.234 318 G HA2 -0.328 3.632 3.960 0.000 0.000 0.260 318 G HA3 -0.328 3.632 3.960 0.000 0.000 0.260 318 G C 0.661 175.619 174.900 0.097 0.000 0.987 318 G CA 0.291 45.453 45.100 0.104 0.000 0.625 318 G HN 0.535 nan 8.290 nan 0.000 0.532 319 V N -1.015 118.977 119.914 0.131 0.000 4.122 319 V HA 0.490 4.611 4.120 0.000 0.000 0.297 319 V C 0.845 176.968 176.094 0.049 0.000 1.052 319 V CA 0.742 63.094 62.300 0.087 0.000 1.130 319 V CB 0.479 32.348 31.823 0.077 0.000 1.165 319 V HN 2.119 nan 8.190 nan 0.000 0.472 320 A N 0.253 123.091 122.820 0.030 0.000 2.335 320 A HA 0.737 5.058 4.320 0.000 0.000 0.304 320 A C -0.743 176.839 177.584 -0.004 0.000 1.118 320 A CA -0.545 51.498 52.037 0.010 0.000 0.757 320 A CB 1.383 20.385 19.000 0.003 0.000 1.188 320 A HN 1.139 nan 8.150 nan 0.000 0.460 321 V N 2.919 122.826 119.914 -0.011 0.000 2.427 321 V HA 0.511 4.631 4.120 0.000 0.000 0.286 321 V C -0.343 175.734 176.094 -0.028 0.000 1.034 321 V CA -0.400 61.883 62.300 -0.029 0.000 0.893 321 V CB 1.532 33.334 31.823 -0.035 0.000 0.982 321 V HN 0.638 nan 8.190 nan 0.000 0.452 322 V N 5.704 125.589 119.914 -0.048 0.000 2.483 322 V HA 0.514 4.634 4.120 0.000 0.000 0.297 322 V C -0.479 175.574 176.094 -0.069 0.000 1.027 322 V CA -0.471 61.798 62.300 -0.051 0.000 0.855 322 V CB 2.117 33.898 31.823 -0.070 0.000 0.995 322 V HN 0.611 nan 8.190 nan 0.000 0.424 323 V N 4.006 123.901 119.914 -0.033 0.000 2.540 323 V HA 0.620 4.740 4.120 0.000 0.000 0.302 323 V C 0.241 176.325 176.094 -0.016 0.000 1.035 323 V CA -0.537 61.753 62.300 -0.016 0.000 0.873 323 V CB 2.377 34.220 31.823 0.034 0.000 0.992 323 V HN 0.969 nan 8.190 nan 0.000 0.428 324 T N 1.276 115.810 114.554 -0.033 0.000 2.902 324 T HA 0.545 4.895 4.350 0.000 0.000 0.283 324 T C -0.475 174.241 174.700 0.026 0.000 1.009 324 T CA -0.729 61.357 62.100 -0.024 0.000 1.051 324 T CB 1.491 70.324 68.868 -0.059 0.000 0.999 324 T HN 0.716 nan 8.240 nan 0.000 0.474 325 N N 1.611 120.356 118.700 0.074 0.000 2.430 325 N HA 0.259 4.999 4.740 0.000 0.000 0.290 325 N C -1.464 174.121 175.510 0.126 0.000 1.063 325 N CA -0.465 52.640 53.050 0.091 0.000 0.883 325 N CB 2.010 40.550 38.487 0.087 0.000 1.465 325 N HN 0.619 nan 8.380 nan 0.000 0.493 326 Q N 2.393 122.260 119.800 0.111 0.000 2.307 326 Q HA 0.417 4.757 4.340 0.000 0.000 0.262 326 Q C -0.519 175.571 176.000 0.151 0.000 0.961 326 Q CA -0.659 55.230 55.803 0.145 0.000 0.882 326 Q CB 1.977 30.821 28.738 0.177 0.000 1.264 326 Q HN 0.398 nan 8.270 nan 0.000 0.446 347 G N 0.538 109.297 108.800 -0.069 0.000 3.088 347 G HA2 0.144 4.104 3.960 0.000 0.000 0.217 347 G HA3 0.144 4.104 3.960 0.000 0.000 0.217 347 G C 1.191 176.039 174.900 -0.087 0.000 1.159 347 G CA 0.835 45.880 45.100 -0.091 0.000 0.760 347 G HN 0.264 nan 8.290 nan 0.000 0.550 348 N N 0.942 119.607 118.700 -0.059 0.000 2.197 348 N HA 0.048 4.788 4.740 0.000 0.000 0.184 348 N C 2.240 177.748 175.510 -0.004 0.000 1.030 348 N CA 0.292 53.322 53.050 -0.033 0.000 0.851 348 N CB -0.102 38.364 38.487 -0.034 0.000 1.003 348 N HN 0.229 nan 8.380 nan 0.000 0.430 349 I N 1.488 122.043 120.570 -0.025 0.000 2.300 349 I HA -0.319 3.851 4.170 0.000 0.000 0.252 349 I C 2.121 178.261 176.117 0.038 0.000 1.119 349 I CA 0.976 62.271 61.300 -0.008 0.000 1.384 349 I CB -0.139 37.833 38.000 -0.047 0.000 1.062 349 I HN 0.141 nan 8.210 nan 0.000 0.426 350 M N 0.213 119.818 119.600 0.009 0.000 2.074 350 M HA -0.131 4.349 4.480 0.000 0.000 0.259 350 M C 2.755 179.076 176.300 0.035 0.000 1.079 350 M CA 1.997 57.309 55.300 0.020 0.000 1.119 350 M CB -1.477 31.117 32.600 -0.009 0.000 1.297 350 M HN 0.286 nan 8.290 nan 0.000 0.416 351 A N -0.049 122.779 122.820 0.014 0.000 1.881 351 A HA -0.313 4.007 4.320 0.000 0.000 0.219 351 A C 2.021 179.634 177.584 0.048 0.000 1.215 351 A CA 2.792 54.842 52.037 0.021 0.000 0.648 351 A CB -1.606 17.395 19.000 0.002 0.000 0.832 351 A HN 0.685 nan 8.150 nan 0.000 0.455 352 H N 0.986 120.044 119.070 -0.020 0.000 2.260 352 H HA -0.192 4.365 4.556 0.000 0.000 0.288 352 H C 2.160 177.481 175.328 -0.011 0.000 1.094 352 H CA 3.064 59.102 56.048 -0.016 0.000 1.197 352 H CB -0.310 29.438 29.762 -0.023 0.000 1.346 352 H HN 0.550 nan 8.280 nan 0.000 0.486 353 S N -0.393 115.294 115.700 -0.021 0.000 2.671 353 S HA 0.091 4.561 4.470 0.000 0.000 0.220 353 S C 0.320 174.882 174.600 -0.064 0.000 0.951 353 S CA 0.011 58.153 58.200 -0.096 0.000 0.932 353 S CB -0.260 62.946 63.200 0.011 0.000 0.777 353 S HN 0.527 nan 8.310 nan 0.000 0.508 354 S N 0.659 116.334 115.700 -0.042 0.000 2.552 354 S HA 0.462 4.932 4.470 0.000 0.000 0.314 354 S C 0.695 175.290 174.600 -0.007 0.000 1.099 354 S CA -0.061 58.134 58.200 -0.008 0.000 1.070 354 S CB 1.540 64.757 63.200 0.028 0.000 0.998 354 S HN 0.350 nan 8.310 nan 0.000 0.474 355 T N 0.133 114.685 114.554 -0.005 0.000 3.014 355 T HA 0.152 4.503 4.350 0.000 0.000 0.263 355 T C 0.530 175.246 174.700 0.028 0.000 1.078 355 T CA 0.533 62.633 62.100 0.002 0.000 1.135 355 T CB -0.342 68.529 68.868 0.005 0.000 0.895 355 T HN 0.628 nan 8.240 nan 0.000 0.480 356 T N 2.832 117.412 114.554 0.042 0.000 2.864 356 T HA 0.545 4.895 4.350 0.000 0.000 0.299 356 T C -0.737 174.024 174.700 0.100 0.000 1.011 356 T CA -0.815 61.324 62.100 0.063 0.000 0.975 356 T CB 1.444 70.344 68.868 0.053 0.000 0.962 356 T HN 0.326 nan 8.240 nan 0.000 0.448 357 R N 2.829 123.411 120.500 0.138 0.000 2.460 357 R HA 0.785 5.125 4.340 0.000 0.000 0.303 357 R C -1.013 175.415 176.300 0.214 0.000 0.968 357 R CA -0.902 55.344 56.100 0.244 0.000 0.889 357 R CB 1.586 32.087 30.300 0.336 0.000 1.123 357 R HN 0.451 nan 8.270 nan 0.000 0.455 358 L N 1.251 122.580 121.223 0.176 0.000 2.476 358 L HA 0.440 4.780 4.340 0.000 0.000 0.269 358 L C -0.160 176.616 176.870 -0.156 0.000 0.965 358 L CA -0.751 54.133 54.840 0.074 0.000 0.845 358 L CB 2.446 44.656 42.059 0.253 0.000 1.259 358 L HN 0.841 nan 8.230 nan 0.000 0.403 359 G N 2.470 111.085 108.800 -0.307 0.000 2.347 359 G HA2 0.602 4.563 3.960 0.000 0.000 0.314 359 G HA3 0.602 4.563 3.960 0.000 0.000 0.314 359 G C -1.201 173.562 174.900 -0.228 0.000 1.126 359 G CA -0.135 44.642 45.100 -0.538 0.000 0.929 359 G HN 0.209 nan 8.290 nan 0.000 0.441 360 F N 1.248 121.023 119.950 -0.292 0.000 2.443 360 F HA 0.593 5.120 4.527 0.000 0.000 0.335 360 F C 0.598 176.371 175.800 -0.046 0.000 1.104 360 F CA -0.636 57.318 58.000 -0.077 0.000 1.013 360 F CB 2.624 41.612 39.000 -0.019 0.000 1.136 360 F HN 0.237 nan 8.300 nan 0.000 0.470 361 K N 1.266 121.679 120.400 0.023 0.000 2.443 361 K HA 0.376 4.696 4.320 0.000 0.000 0.251 361 K C -1.074 175.513 176.600 -0.022 0.000 0.972 361 K CA -1.228 55.069 56.287 0.018 0.000 0.833 361 K CB 2.379 34.872 32.500 -0.012 0.000 1.317 361 K HN 0.383 nan 8.250 nan 0.000 0.441 362 K N 1.240 121.635 120.400 -0.008 0.000 2.250 362 K HA 0.204 4.524 4.320 0.000 0.000 0.285 362 K C 0.126 176.687 176.600 -0.065 0.000 1.097 362 K CA -0.271 55.995 56.287 -0.035 0.000 0.913 362 K CB 0.410 32.911 32.500 0.002 0.000 1.179 362 K HN 0.771 nan 8.250 nan 0.000 0.462 363 G N 2.154 110.882 108.800 -0.121 0.000 2.514 363 G HA2 0.252 4.212 3.960 0.000 0.000 0.245 363 G HA3 0.252 4.212 3.960 0.000 0.000 0.245 363 G C -0.645 174.201 174.900 -0.090 0.000 1.488 363 G CA -0.435 44.593 45.100 -0.120 0.000 1.063 363 G HN 0.631 nan 8.290 nan 0.000 0.557 364 K N -1.007 119.341 120.400 -0.088 0.000 2.211 364 K HA 0.657 4.977 4.320 0.000 0.000 0.275 364 K C 0.971 177.524 176.600 -0.077 0.000 1.024 364 K CA 0.660 56.907 56.287 -0.067 0.000 0.887 364 K CB 0.376 32.845 32.500 -0.052 0.000 1.084 364 K HN 2.389 nan 8.250 nan 0.000 0.463 365 G N 0.153 108.914 108.800 -0.065 0.000 2.866 365 G HA2 -0.334 3.626 3.960 0.000 0.000 0.274 365 G HA3 -0.334 3.626 3.960 0.000 0.000 0.274 365 G C 1.460 176.307 174.900 -0.089 0.000 1.413 365 G CA 1.284 46.343 45.100 -0.069 0.000 0.997 365 G HN 2.164 nan 8.290 nan 0.000 0.559 366 C N 0.704 119.929 119.300 -0.124 0.000 3.243 366 C HA 0.838 5.298 4.460 0.000 0.000 0.286 366 C C 1.195 176.061 174.990 -0.207 0.000 1.373 366 C CA 1.062 59.982 59.018 -0.163 0.000 1.749 366 C CB -0.792 26.823 27.740 -0.208 0.000 2.313 366 C HN 1.670 nan 8.230 nan 0.000 0.644 367 Q N 1.218 120.902 119.800 -0.195 0.000 2.382 367 Q HA 0.750 5.090 4.340 0.000 0.000 0.229 367 Q C -0.212 175.580 176.000 -0.348 0.000 1.006 367 Q CA 0.180 55.835 55.803 -0.247 0.000 0.916 367 Q CB 0.333 28.967 28.738 -0.173 0.000 1.235 367 Q HN 0.711 nan 8.270 nan 0.000 0.512 368 R N 1.106 121.243 120.500 -0.605 0.000 2.512 368 R HA 0.372 4.712 4.340 0.000 0.000 0.291 368 R C -1.030 174.872 176.300 -0.663 0.000 1.097 368 R CA -0.865 54.831 56.100 -0.675 0.000 0.940 368 R CB 0.955 30.681 30.300 -0.958 0.000 1.198 368 R HN 0.723 nan 8.270 nan 0.000 0.429 369 L N 1.807 122.825 121.223 -0.342 0.000 2.394 369 L HA 0.269 4.609 4.340 0.000 0.000 0.229 369 L C 0.027 176.739 176.870 -0.265 0.000 1.225 369 L CA 0.604 55.300 54.840 -0.240 0.000 0.829 369 L CB 0.567 42.539 42.059 -0.144 0.000 1.195 369 L HN 0.858 nan 8.230 nan 0.000 0.548 370 C N 1.815 120.982 119.300 -0.223 0.000 3.226 370 C HA 0.282 4.742 4.460 0.000 0.000 0.429 370 C C -0.801 174.040 174.990 -0.247 0.000 0.942 370 C CA -1.224 57.567 59.018 -0.379 0.000 1.262 370 C CB -0.607 26.721 27.740 -0.688 0.000 1.674 370 C HN 0.986 nan 8.230 nan 0.000 0.596 371 K N 3.805 124.086 120.400 -0.198 0.000 2.106 371 K HA 0.821 5.141 4.320 0.000 0.000 0.246 371 K C -0.693 175.862 176.600 -0.076 0.000 0.987 371 K CA -0.576 55.653 56.287 -0.097 0.000 0.904 371 K CB 1.750 34.224 32.500 -0.045 0.000 1.071 371 K HN 0.654 nan 8.250 nan 0.000 0.453 372 V N 3.375 123.275 119.914 -0.024 0.000 2.270 372 V HA 0.135 4.255 4.120 0.000 0.000 0.263 372 V C -0.517 175.602 176.094 0.042 0.000 1.066 372 V CA -0.691 61.616 62.300 0.011 0.000 0.857 372 V CB 0.892 32.723 31.823 0.013 0.000 1.099 372 V HN 0.493 nan 8.190 nan 0.000 0.476 373 V N 5.286 125.247 119.914 0.078 0.000 2.368 373 V HA 0.562 4.682 4.120 0.000 0.000 0.266 373 V C 0.432 176.600 176.094 0.124 0.000 1.045 373 V CA 0.714 63.084 62.300 0.117 0.000 0.899 373 V CB 0.337 32.278 31.823 0.196 0.000 1.006 373 V HN 1.190 nan 8.190 nan 0.000 0.470 374 D N 3.561 124.013 120.400 0.086 0.000 5.864 374 D HA -0.105 4.535 4.640 0.000 0.000 0.244 374 D C 0.032 176.374 176.300 0.069 0.000 1.511 374 D CA 0.816 54.858 54.000 0.071 0.000 1.451 374 D CB -1.441 39.401 40.800 0.071 0.000 0.732 374 D HN 1.341 nan 8.370 nan 0.000 0.394 375 S N 4.311 120.042 115.700 0.051 0.000 2.592 375 S HA 0.590 5.060 4.470 0.000 0.000 0.151 375 S C -1.335 173.288 174.600 0.038 0.000 1.280 375 S CA 0.096 58.324 58.200 0.046 0.000 1.187 375 S CB 1.934 65.163 63.200 0.048 0.000 1.471 375 S HN 0.732 nan 8.310 nan 0.000 0.409 376 P HA -0.349 nan 4.420 nan 0.000 0.264 376 P C 1.353 178.671 177.300 0.030 0.000 0.781 376 P CA 2.791 65.910 63.100 0.030 0.000 1.023 376 P CB -0.936 30.786 31.700 0.037 0.000 0.847 377 C N -2.354 116.969 119.300 0.037 0.000 2.631 377 C HA 0.175 4.635 4.460 0.000 0.000 0.283 377 C C 2.080 177.091 174.990 0.033 0.000 1.295 377 C CA -0.468 58.574 59.018 0.040 0.000 1.697 377 C CB -1.748 26.027 27.740 0.059 0.000 2.128 377 C HN 0.196 nan 8.230 nan 0.000 0.503 378 L N 2.332 123.575 121.223 0.034 0.000 2.484 378 L HA 0.144 4.485 4.340 0.000 0.000 0.297 378 L C -1.987 174.898 176.870 0.026 0.000 1.292 378 L CA -0.124 54.733 54.840 0.028 0.000 0.827 378 L CB -0.272 41.804 42.059 0.028 0.000 1.077 378 L HN 0.290 nan 8.230 nan 0.000 0.560 379 P HA 0.164 nan 4.420 nan 0.000 0.307 379 P C -1.378 175.934 177.300 0.019 0.000 1.412 379 P CA -0.789 62.323 63.100 0.020 0.000 0.985 379 P CB 1.494 33.204 31.700 0.017 0.000 1.098 380 E N 2.661 122.874 120.200 0.021 0.000 2.614 380 E HA 0.305 4.655 4.350 0.000 0.000 0.245 380 E C -1.007 175.601 176.600 0.014 0.000 1.039 380 E CA 0.214 56.627 56.400 0.021 0.000 0.948 380 E CB -0.263 29.452 29.700 0.026 0.000 0.937 380 E HN 0.545 nan 8.360 nan 0.000 0.498 381 A N 4.981 127.805 122.820 0.008 0.000 2.518 381 A HA 0.238 4.558 4.320 0.000 0.000 0.295 381 A C -0.715 176.864 177.584 -0.008 0.000 1.052 381 A CA -0.912 51.127 52.037 0.002 0.000 0.824 381 A CB 0.862 19.865 19.000 0.005 0.000 1.325 381 A HN 0.705 nan 8.150 nan 0.000 0.394 382 E N 0.315 120.507 120.200 -0.014 0.000 2.292 382 E HA 0.766 5.116 4.350 0.000 0.000 0.258 382 E C -0.018 176.568 176.600 -0.023 0.000 1.115 382 E CA -0.377 56.005 56.400 -0.030 0.000 0.929 382 E CB 1.809 31.487 29.700 -0.037 0.000 1.161 382 E HN 1.747 nan 8.360 nan 0.000 0.453 383 C N -1.275 118.006 119.300 -0.031 0.000 3.136 383 C HA 0.364 4.824 4.460 0.000 0.000 0.376 383 C C -0.947 174.040 174.990 -0.005 0.000 1.114 383 C CA -0.923 58.089 59.018 -0.009 0.000 1.110 383 C CB 0.030 27.779 27.740 0.015 0.000 1.452 383 C HN 0.641 nan 8.230 nan 0.000 0.542 384 V N 3.378 123.285 119.914 -0.010 0.000 2.834 384 V HA 0.804 4.924 4.120 0.000 0.000 0.301 384 V C 0.296 176.428 176.094 0.064 0.000 1.066 384 V CA 0.266 62.536 62.300 -0.051 0.000 1.052 384 V CB 0.946 32.730 31.823 -0.065 0.000 1.021 384 V HN 1.247 nan 8.190 nan 0.000 0.480 385 F N 0.626 120.566 119.950 -0.017 0.000 2.950 385 F HA 1.026 5.553 4.527 0.000 0.000 0.327 385 F C -0.340 175.486 175.800 0.044 0.000 1.197 385 F CA -0.861 57.156 58.000 0.029 0.000 0.954 385 F CB 1.264 40.286 39.000 0.038 0.000 1.442 385 F HN 0.759 nan 8.300 nan 0.000 0.509 386 A N 0.197 123.276 122.820 0.432 0.000 2.588 386 A HA 0.833 5.153 4.320 0.000 0.000 0.290 386 A C -1.915 175.904 177.584 0.392 0.000 1.136 386 A CA -0.876 51.271 52.037 0.184 0.000 0.681 386 A CB 1.408 20.445 19.000 0.062 0.000 1.282 386 A HN 0.797 nan 8.150 nan 0.000 0.421 387 I N 0.480 121.070 120.570 0.032 0.000 2.466 387 I HA 0.547 4.717 4.170 0.000 0.000 0.289 387 I C -1.129 174.885 176.117 -0.171 0.000 1.026 387 I CA -0.297 61.056 61.300 0.089 0.000 1.078 387 I CB 1.535 39.570 38.000 0.057 0.000 1.249 387 I HN 0.732 nan 8.210 nan 0.000 0.429 388 Y N 2.394 122.737 120.300 0.071 0.000 3.123 388 Y HA 0.288 4.838 4.550 0.000 0.000 0.305 388 Y C 1.261 177.171 175.900 0.016 0.000 1.560 388 Y CA -0.753 57.368 58.100 0.035 0.000 1.048 388 Y CB 0.381 38.858 38.460 0.029 0.000 1.380 388 Y HN 0.466 nan 8.280 nan 0.000 0.618 389 E N 0.129 120.443 120.200 0.191 0.000 2.442 389 E HA -0.062 4.288 4.350 0.000 0.000 0.195 389 E C -0.353 176.287 176.600 0.066 0.000 1.030 389 E CA 0.990 57.441 56.400 0.084 0.000 0.869 389 E CB 0.049 29.782 29.700 0.055 0.000 0.857 389 E HN 0.757 nan 8.360 nan 0.000 0.505 390 D N -1.238 119.219 120.400 0.094 0.000 2.479 390 D HA 0.272 4.912 4.640 0.000 0.000 0.218 390 D C 0.569 176.934 176.300 0.108 0.000 1.177 390 D CA 0.218 54.257 54.000 0.064 0.000 0.830 390 D CB 0.934 41.738 40.800 0.007 0.000 1.014 390 D HN 0.202 nan 8.370 nan 0.000 0.503 391 G N -0.759 108.129 108.800 0.147 0.000 2.331 391 G HA2 0.054 4.014 3.960 0.000 0.000 0.402 391 G HA3 0.054 4.014 3.960 0.000 0.000 0.402 391 G C -0.622 174.416 174.900 0.229 0.000 1.275 391 G CA -0.580 44.626 45.100 0.177 0.000 1.003 391 G HN 0.328 nan 8.290 nan 0.000 0.500 392 V N 0.409 120.446 119.914 0.205 0.000 3.230 392 V HA 0.455 4.575 4.120 0.000 0.000 0.302 392 V C 1.507 177.746 176.094 0.241 0.000 1.158 392 V CA 1.462 63.890 62.300 0.214 0.000 1.279 392 V CB 0.515 32.369 31.823 0.052 0.000 0.983 392 V HN 2.395 nan 8.190 nan 0.000 0.506 393 G N 1.424 110.412 108.800 0.313 0.000 2.441 393 G HA2 0.387 4.347 3.960 0.000 0.000 0.294 393 G HA3 0.387 4.347 3.960 0.000 0.000 0.294 393 G C -1.814 173.269 174.900 0.306 0.000 1.393 393 G CA -0.786 44.449 45.100 0.226 0.000 0.796 393 G HN 0.548 nan 8.290 nan 0.000 0.494 394 D N 1.079 121.585 120.400 0.177 0.000 2.329 394 D HA 0.469 5.109 4.640 0.000 0.000 0.246 394 D C -1.496 174.946 176.300 0.237 0.000 1.111 394 D CA -0.444 53.664 54.000 0.180 0.000 0.941 394 D CB 1.634 42.486 40.800 0.088 0.000 1.169 394 D HN 0.234 nan 8.370 nan 0.000 0.441 395 P HA 0.000 nan 4.420 nan 0.000 0.216 395 P CA 0.000 63.216 63.100 0.193 0.000 0.800 395 P CB 0.000 31.761 31.700 0.101 0.000 0.726