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 3hd6_1_A DATA FIRST_RESID 1 DATA SEQUENCE SAWNTNLRWR LPLTCLLLQV IMVILFGVFV RYDFXXXXXX XXXXXXXXXX DATA SEQUENCE XXENEFYYRY PSFQDVHVMV FVGFGFLMTF LQRYGFSAVG FNFLLAAFGI DATA SEQUENCE QWALLMQGWF HFLQDRYIVV GVENLINADF CVASVCVAFG AVLGKVSPIQ DATA SEQUENCE LLIMTFFQVT LFAVNEFILL NLLKVKDAGG SMTIHTFGAY FGLTVTRILY DATA SEQUENCE RRNLEQSKER QNSVYQSDLF AMIGTLFLWM YWPSFNSAIS YHGDSQHRAA DATA SEQUENCE INTYCSLAAC VLTSVAISSA LHKKGKLDMV HIQNATLAGG VAVGTAAEMM DATA SEQUENCE LMPYGALIIG FVCGIISTLG FVYLTPFLES RLHIQDTCGI NNLHGIPGII DATA SEQUENCE GGIVGAVTAA SXXXXXXXXX XXXXXXXXXX XXXDWTARTQ GKFQIYGLLV DATA SEQUENCE TLAMALMGGI IVGLILRLPF WGQPSDENCF EDAVYWEMPE GNS 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.620 174.600 0.034 0.000 1.055 1 S CA 0.000 58.237 58.200 0.062 0.000 1.107 1 S CB 0.000 63.271 63.200 0.118 0.000 0.593 2 A N 2.377 125.175 122.820 -0.036 0.000 2.070 2 A HA 0.089 4.409 4.320 0.001 0.000 0.220 2 A C 1.100 178.526 177.584 -0.263 0.000 1.159 2 A CA 1.140 53.054 52.037 -0.206 0.000 0.656 2 A CB -0.697 18.093 19.000 -0.351 0.000 0.800 2 A HN 0.897 nan 8.150 nan 0.000 0.453 3 W N -0.237 121.055 121.300 -0.013 0.000 3.139 3 W HA 0.193 4.853 4.660 0.001 0.000 0.260 3 W C 0.698 177.219 176.519 0.003 0.000 1.312 3 W CA -0.201 57.140 57.345 -0.008 0.000 1.606 3 W CB 0.067 29.520 29.460 -0.012 0.000 1.118 3 W HN 0.177 nan 8.180 nan 0.000 0.675 4 N N 1.091 119.893 118.700 0.171 0.000 2.402 4 N HA 0.002 4.742 4.740 0.001 0.000 0.252 4 N C 0.785 176.363 175.510 0.115 0.000 1.118 4 N CA 0.544 53.671 53.050 0.128 0.000 0.945 4 N CB 0.901 39.443 38.487 0.092 0.000 1.147 4 N HN 0.033 nan 8.380 nan 0.000 0.495 5 T N -0.358 114.265 114.554 0.116 0.000 3.163 5 T HA 0.094 4.444 4.350 0.001 0.000 0.252 5 T C 0.564 175.355 174.700 0.153 0.000 1.056 5 T CA -0.554 61.627 62.100 0.135 0.000 0.947 5 T CB -0.296 68.596 68.868 0.039 0.000 1.016 5 T HN 0.257 nan 8.240 nan 0.000 0.554 6 N N 2.083 120.859 118.700 0.126 0.000 2.399 6 N HA 0.143 4.884 4.740 0.001 0.000 0.259 6 N C 0.380 175.979 175.510 0.148 0.000 1.160 6 N CA -0.408 52.718 53.050 0.127 0.000 0.946 6 N CB 0.285 38.837 38.487 0.108 0.000 1.156 6 N HN 0.444 nan 8.380 nan 0.000 0.489 7 L N 3.371 124.684 121.223 0.151 0.000 2.685 7 L HA 0.226 4.567 4.340 0.001 0.000 0.233 7 L C 2.073 179.009 176.870 0.109 0.000 1.173 7 L CA -0.158 54.759 54.840 0.128 0.000 0.961 7 L CB -0.062 42.052 42.059 0.092 0.000 1.217 7 L HN 0.488 nan 8.230 nan 0.000 0.478 8 R N 0.223 120.806 120.500 0.139 0.000 2.127 8 R HA -0.180 4.161 4.340 0.001 0.000 0.238 8 R C 1.595 177.929 176.300 0.056 0.000 1.134 8 R CA 1.921 58.075 56.100 0.090 0.000 0.975 8 R CB 0.020 30.388 30.300 0.113 0.000 0.865 8 R HN 0.372 nan 8.270 nan 0.000 0.447 9 W N -0.346 120.947 121.300 -0.012 0.000 2.580 9 W HA 0.196 4.857 4.660 0.001 0.000 0.287 9 W C 2.337 178.840 176.519 -0.027 0.000 1.175 9 W CA 0.318 57.651 57.345 -0.020 0.000 1.409 9 W CB -0.165 29.285 29.460 -0.016 0.000 1.101 9 W HN -0.058 nan 8.180 nan 0.000 0.558 10 R N -0.123 120.510 120.500 0.222 0.000 2.073 10 R HA -0.089 4.252 4.340 0.001 0.000 0.229 10 R C 2.064 178.388 176.300 0.039 0.000 1.120 10 R CA 1.383 57.563 56.100 0.133 0.000 0.967 10 R CB -1.027 29.360 30.300 0.145 0.000 0.862 10 R HN 0.083 nan 8.270 nan 0.000 0.436 11 L N 1.539 122.761 121.223 -0.001 0.000 2.027 11 L HA -0.019 4.322 4.340 0.001 0.000 0.206 11 L C -1.057 175.747 176.870 -0.110 0.000 1.074 11 L CA 1.842 56.628 54.840 -0.090 0.000 0.745 11 L CB -0.901 41.083 42.059 -0.126 0.000 0.898 11 L HN -0.018 nan 8.230 nan 0.000 0.433 12 P HA -0.162 nan 4.420 nan 0.000 0.215 12 P C 1.945 179.182 177.300 -0.105 0.000 1.153 12 P CA 1.165 64.197 63.100 -0.113 0.000 0.853 12 P CB -0.138 31.485 31.700 -0.128 0.000 0.788 13 L N -0.581 120.602 121.223 -0.067 0.000 2.012 13 L HA -0.163 4.178 4.340 0.001 0.000 0.210 13 L C 1.965 178.774 176.870 -0.101 0.000 1.073 13 L CA 2.340 57.147 54.840 -0.055 0.000 0.748 13 L CB -1.751 40.316 42.059 0.014 0.000 0.891 13 L HN -0.053 nan 8.230 nan 0.000 0.431 14 T N -1.097 113.386 114.554 -0.119 0.000 2.708 14 T HA -0.215 4.136 4.350 0.001 0.000 0.266 14 T C 1.981 176.525 174.700 -0.260 0.000 1.037 14 T CA 1.730 63.710 62.100 -0.200 0.000 1.146 14 T CB -0.844 67.895 68.868 -0.214 0.000 0.865 14 T HN 0.506 nan 8.240 nan 0.000 0.435 15 C N 0.828 119.993 119.300 -0.226 0.000 2.446 15 C HA 0.111 4.572 4.460 0.001 0.000 0.277 15 C C 2.740 177.618 174.990 -0.187 0.000 1.275 15 C CA 0.313 59.194 59.018 -0.229 0.000 1.727 15 C CB -1.335 26.293 27.740 -0.188 0.000 2.010 15 C HN 0.507 nan 8.230 nan 0.000 0.486 16 L N 0.041 121.174 121.223 -0.150 0.000 2.072 16 L HA -0.100 4.240 4.340 0.001 0.000 0.205 16 L C 2.534 179.334 176.870 -0.118 0.000 1.079 16 L CA 0.788 55.557 54.840 -0.118 0.000 0.752 16 L CB -0.720 41.278 42.059 -0.101 0.000 0.906 16 L HN 0.294 nan 8.230 nan 0.000 0.436 17 L N 0.093 121.234 121.223 -0.138 0.000 2.017 17 L HA -0.209 4.132 4.340 0.001 0.000 0.208 17 L C 2.332 179.099 176.870 -0.171 0.000 1.073 17 L CA 1.791 56.546 54.840 -0.141 0.000 0.745 17 L CB -0.524 41.441 42.059 -0.158 0.000 0.894 17 L HN 0.093 nan 8.230 nan 0.000 0.432 18 L N -0.978 120.094 121.223 -0.253 0.000 2.046 18 L HA -0.232 4.109 4.340 0.001 0.000 0.208 18 L C 2.649 179.458 176.870 -0.102 0.000 1.077 18 L CA 1.528 56.194 54.840 -0.290 0.000 0.747 18 L CB -0.542 41.152 42.059 -0.608 0.000 0.896 18 L HN 0.386 nan 8.230 nan 0.000 0.432 19 Q N -0.256 119.490 119.800 -0.091 0.000 2.123 19 Q HA -0.120 4.220 4.340 0.001 0.000 0.199 19 Q C 2.070 178.058 176.000 -0.020 0.000 0.966 19 Q CA 1.429 57.214 55.803 -0.029 0.000 0.845 19 Q CB -0.187 28.518 28.738 -0.054 0.000 0.907 19 Q HN 0.279 nan 8.270 nan 0.000 0.439 20 V N 0.299 120.192 119.914 -0.035 0.000 2.343 20 V HA -0.245 3.875 4.120 0.001 0.000 0.247 20 V C 2.153 178.261 176.094 0.024 0.000 1.051 20 V CA 1.710 64.002 62.300 -0.013 0.000 1.036 20 V CB -0.485 31.322 31.823 -0.027 0.000 0.654 20 V HN 0.378 nan 8.190 nan 0.000 0.451 21 I N -0.827 119.754 120.570 0.018 0.000 2.226 21 I HA -0.270 3.901 4.170 0.001 0.000 0.245 21 I C 2.573 178.790 176.117 0.166 0.000 1.100 21 I CA 1.356 62.698 61.300 0.070 0.000 1.374 21 I CB -0.365 37.639 38.000 0.007 0.000 1.057 21 I HN 0.248 nan 8.210 nan 0.000 0.413 22 M N -0.051 119.646 119.600 0.161 0.000 2.108 22 M HA -0.170 4.311 4.480 0.001 0.000 0.261 22 M C 2.505 178.928 176.300 0.204 0.000 1.066 22 M CA 1.623 57.062 55.300 0.232 0.000 1.107 22 M CB -1.216 31.447 32.600 0.104 0.000 1.356 22 M HN 0.120 nan 8.290 nan 0.000 0.406 23 V N 0.606 120.570 119.914 0.083 0.000 2.295 23 V HA -0.267 3.854 4.120 0.001 0.000 0.246 23 V C 2.453 178.645 176.094 0.163 0.000 1.049 23 V CA 1.670 64.013 62.300 0.073 0.000 1.024 23 V CB -0.551 31.286 31.823 0.023 0.000 0.648 23 V HN 0.357 nan 8.190 nan 0.000 0.447 24 I N -0.495 120.167 120.570 0.154 0.000 2.163 24 I HA -0.274 3.897 4.170 0.001 0.000 0.243 24 I C 2.297 178.553 176.117 0.231 0.000 1.085 24 I CA 1.688 63.081 61.300 0.154 0.000 1.347 24 I CB -0.322 37.753 38.000 0.125 0.000 1.044 24 I HN 0.250 nan 8.210 nan 0.000 0.408 25 L N -0.817 120.619 121.223 0.356 0.000 2.141 25 L HA -0.175 4.166 4.340 0.001 0.000 0.209 25 L C 2.467 179.636 176.870 0.498 0.000 1.094 25 L CA 1.099 56.252 54.840 0.523 0.000 0.763 25 L CB -0.509 41.936 42.059 0.644 0.000 0.908 25 L HN 0.126 nan 8.230 nan 0.000 0.437 26 F N 0.544 120.623 119.950 0.214 0.000 2.146 26 F HA -0.097 4.431 4.527 0.001 0.000 0.298 26 F C 2.514 178.379 175.800 0.108 0.000 1.096 26 F CA 1.392 59.479 58.000 0.144 0.000 1.275 26 F CB -1.177 37.867 39.000 0.074 0.000 1.008 26 F HN 0.006 nan 8.300 nan 0.000 0.480 27 G N -0.353 108.598 108.800 0.253 0.000 2.440 27 G HA2 -0.205 3.756 3.960 0.001 0.000 0.218 27 G HA3 -0.205 3.756 3.960 0.001 0.000 0.218 27 G C 1.796 176.729 174.900 0.055 0.000 1.154 27 G CA 1.326 46.502 45.100 0.127 0.000 0.767 27 G HN 0.273 nan 8.290 nan 0.000 0.552 28 V N -0.484 119.421 119.914 -0.016 0.000 2.379 28 V HA 0.036 4.156 4.120 0.001 0.000 0.245 28 V C 2.244 178.162 176.094 -0.294 0.000 1.044 28 V CA 1.445 63.575 62.300 -0.283 0.000 1.036 28 V CB -0.423 31.014 31.823 -0.643 0.000 0.664 28 V HN 0.316 nan 8.190 nan 0.000 0.453 29 F N -1.357 118.694 119.950 0.169 0.000 2.637 29 F HA 0.330 4.857 4.527 0.001 0.000 0.284 29 F C 0.795 176.684 175.800 0.147 0.000 1.105 29 F CA -0.225 57.894 58.000 0.197 0.000 1.356 29 F CB 0.149 39.334 39.000 0.308 0.000 1.096 29 F HN -0.214 nan 8.300 nan 0.000 0.616 30 V N 3.095 123.095 119.914 0.142 0.000 2.439 30 V HA 0.484 4.604 4.120 0.001 0.000 0.282 30 V C -0.113 175.925 176.094 -0.095 0.000 1.039 30 V CA -0.565 61.687 62.300 -0.081 0.000 0.913 30 V CB 1.145 32.701 31.823 -0.444 0.000 0.983 30 V HN 0.048 nan 8.190 nan 0.000 0.460 31 R N 2.720 123.131 120.500 -0.149 0.000 2.817 31 R HA 0.565 4.906 4.340 0.001 0.000 0.268 31 R C -1.736 174.387 176.300 -0.296 0.000 1.027 31 R CA -0.842 55.132 56.100 -0.210 0.000 0.928 31 R CB 1.901 32.119 30.300 -0.136 0.000 1.228 31 R HN 0.531 nan 8.270 nan 0.000 0.469 32 Y N -0.156 120.043 120.300 -0.168 0.000 2.487 32 Y HA 0.284 4.834 4.550 0.001 0.000 0.337 32 Y C 0.561 176.054 175.900 -0.678 0.000 1.076 32 Y CA -0.846 57.003 58.100 -0.418 0.000 1.115 32 Y CB 0.967 39.087 38.460 -0.567 0.000 1.235 32 Y HN 0.321 nan 8.280 nan 0.000 0.468 33 D N 1.347 121.513 120.400 -0.390 0.000 2.372 33 D HA 0.244 4.885 4.640 0.001 0.000 0.243 33 D C -0.813 175.054 176.300 -0.722 0.000 1.121 33 D CA 0.886 54.654 54.000 -0.386 0.000 0.898 33 D CB 0.478 41.169 40.800 -0.182 0.000 1.202 33 D HN 0.232 nan 8.370 nan 0.000 0.428 54 N N 1.223 120.156 118.700 0.389 0.000 2.329 54 N HA -0.098 4.643 4.740 0.001 0.000 0.237 54 N C 0.780 176.493 175.510 0.338 0.000 1.258 54 N CA 1.055 54.290 53.050 0.309 0.000 0.866 54 N CB 0.556 39.201 38.487 0.264 0.000 1.102 54 N HN 0.523 nan 8.380 nan 0.000 0.440 55 E N 2.622 122.946 120.200 0.207 0.000 2.208 55 E HA -0.194 4.157 4.350 0.001 0.000 0.193 55 E C 1.644 178.343 176.600 0.166 0.000 0.988 55 E CA 0.753 57.261 56.400 0.181 0.000 0.828 55 E CB -0.274 29.483 29.700 0.095 0.000 0.763 55 E HN 0.664 nan 8.360 nan 0.000 0.478 56 F N 1.407 121.330 119.950 -0.044 0.000 2.043 56 F HA -0.295 4.232 4.527 0.001 0.000 0.297 56 F C 1.776 177.512 175.800 -0.106 0.000 1.121 56 F CA 1.927 59.824 58.000 -0.173 0.000 1.199 56 F CB -0.486 38.243 39.000 -0.451 0.000 0.968 56 F HN -0.052 nan 8.300 nan 0.000 0.478 57 Y N -1.177 119.222 120.300 0.165 0.000 2.165 57 Y HA -0.259 4.292 4.550 0.001 0.000 0.286 57 Y C 2.317 178.106 175.900 -0.185 0.000 1.155 57 Y CA 2.072 60.145 58.100 -0.045 0.000 1.164 57 Y CB -1.288 37.131 38.460 -0.068 0.000 0.978 57 Y HN 0.173 nan 8.280 nan 0.000 0.513 58 Y N -1.136 119.256 120.300 0.154 0.000 2.475 58 Y HA 0.005 4.556 4.550 0.001 0.000 0.289 58 Y C 2.050 177.964 175.900 0.024 0.000 1.121 58 Y CA 0.729 58.880 58.100 0.085 0.000 1.257 58 Y CB 0.089 38.599 38.460 0.083 0.000 1.026 58 Y HN -0.042 nan 8.280 nan 0.000 0.555 59 R N -2.532 118.034 120.500 0.110 0.000 2.287 59 R HA -0.005 4.335 4.340 0.001 0.000 0.197 59 R C 1.540 177.822 176.300 -0.030 0.000 0.900 59 R CA 0.216 56.337 56.100 0.037 0.000 1.052 59 R CB -0.464 29.858 30.300 0.035 0.000 1.117 59 R HN 0.257 nan 8.270 nan 0.000 0.568 60 Y N 3.485 123.609 120.300 -0.294 0.000 2.151 60 Y HA -0.145 4.405 4.550 0.001 0.000 0.284 60 Y C -0.976 174.831 175.900 -0.154 0.000 1.166 60 Y CA 1.622 59.503 58.100 -0.365 0.000 1.163 60 Y CB -0.873 36.961 38.460 -1.042 0.000 0.974 60 Y HN -0.046 nan 8.280 nan 0.000 0.511 61 P HA -0.157 nan 4.420 nan 0.000 0.216 61 P C 1.824 178.985 177.300 -0.231 0.000 1.150 61 P CA 2.517 65.499 63.100 -0.196 0.000 0.837 61 P CB -0.030 31.620 31.700 -0.083 0.000 0.786 62 S N -1.179 114.431 115.700 -0.150 0.000 2.368 62 S HA -0.143 4.328 4.470 0.001 0.000 0.224 62 S C 1.603 176.078 174.600 -0.208 0.000 1.029 62 S CA 0.864 58.980 58.200 -0.141 0.000 0.988 62 S CB -1.206 61.957 63.200 -0.062 0.000 0.838 62 S HN 0.147 nan 8.310 nan 0.000 0.462 63 F N 2.674 122.427 119.950 -0.328 0.000 2.091 63 F HA -0.216 4.312 4.527 0.001 0.000 0.299 63 F C 2.269 177.853 175.800 -0.361 0.000 1.103 63 F CA 1.741 59.518 58.000 -0.373 0.000 1.228 63 F CB -0.778 37.978 39.000 -0.406 0.000 0.984 63 F HN 0.174 nan 8.300 nan 0.000 0.477 64 Q N -0.012 119.274 119.800 -0.858 0.000 2.084 64 Q HA -0.213 4.128 4.340 0.001 0.000 0.202 64 Q C 1.880 177.584 176.000 -0.494 0.000 0.978 64 Q CA 1.722 57.049 55.803 -0.793 0.000 0.844 64 Q CB -0.367 28.032 28.738 -0.564 0.000 0.898 64 Q HN 0.485 nan 8.270 nan 0.000 0.426 65 D N -0.034 120.096 120.400 -0.451 0.000 2.117 65 D HA -0.121 4.519 4.640 0.001 0.000 0.197 65 D C 2.009 178.231 176.300 -0.131 0.000 0.987 65 D CA 0.962 54.710 54.000 -0.420 0.000 0.829 65 D CB -0.191 40.315 40.800 -0.489 0.000 0.961 65 D HN 0.066 nan 8.370 nan 0.000 0.460 66 V N 0.729 120.527 119.914 -0.192 0.000 2.358 66 V HA -0.239 3.882 4.120 0.001 0.000 0.246 66 V C 2.310 178.378 176.094 -0.044 0.000 1.047 66 V CA 1.535 63.778 62.300 -0.095 0.000 1.035 66 V CB -0.589 31.003 31.823 -0.386 0.000 0.658 66 V HN 0.192 nan 8.190 nan 0.000 0.452 67 H N 0.172 119.007 119.070 -0.392 0.000 2.352 67 H HA -0.146 4.411 4.556 0.001 0.000 0.299 67 H C 2.108 177.464 175.328 0.047 0.000 1.097 67 H CA 2.112 58.007 56.048 -0.256 0.000 1.311 67 H CB -0.305 29.007 29.762 -0.750 0.000 1.377 67 H HN 0.198 nan 8.280 nan 0.000 0.504 68 V N 0.259 120.196 119.914 0.038 0.000 2.343 68 V HA -0.297 3.823 4.120 0.001 0.000 0.247 68 V C 2.554 178.744 176.094 0.160 0.000 1.051 68 V CA 2.039 64.394 62.300 0.092 0.000 1.036 68 V CB -0.541 31.411 31.823 0.216 0.000 0.654 68 V HN 0.447 nan 8.190 nan 0.000 0.451 69 M N -0.760 118.966 119.600 0.211 0.000 2.149 69 M HA -0.163 4.318 4.480 0.001 0.000 0.261 69 M C 2.177 178.623 176.300 0.244 0.000 1.064 69 M CA 1.581 56.992 55.300 0.185 0.000 1.102 69 M CB -0.500 32.181 32.600 0.135 0.000 1.369 69 M HN 0.237 nan 8.290 nan 0.000 0.408 70 V N -0.483 119.565 119.914 0.224 0.000 2.270 70 V HA -0.228 3.892 4.120 0.001 0.000 0.245 70 V C 1.957 178.025 176.094 -0.043 0.000 1.043 70 V CA 1.941 64.311 62.300 0.118 0.000 1.014 70 V CB -0.565 31.195 31.823 -0.106 0.000 0.645 70 V HN 0.292 nan 8.190 nan 0.000 0.447 71 F N -1.157 118.804 119.950 0.018 0.000 2.317 71 F HA 0.042 4.570 4.527 0.001 0.000 0.293 71 F C 2.114 177.904 175.800 -0.016 0.000 1.085 71 F CA 1.012 58.988 58.000 -0.041 0.000 1.390 71 F CB -0.161 38.717 39.000 -0.203 0.000 1.077 71 F HN -0.122 nan 8.300 nan 0.000 0.517 72 V N -1.006 119.011 119.914 0.172 0.000 2.795 72 V HA 0.089 4.210 4.120 0.001 0.000 0.243 72 V C 2.393 178.638 176.094 0.253 0.000 1.069 72 V CA 1.398 63.819 62.300 0.202 0.000 1.089 72 V CB -0.626 31.179 31.823 -0.029 0.000 0.756 72 V HN 0.373 nan 8.190 nan 0.000 0.471 73 G N -0.257 108.651 108.800 0.180 0.000 2.505 73 G HA2 -0.215 3.745 3.960 0.001 0.000 0.214 73 G HA3 -0.215 3.745 3.960 0.001 0.000 0.214 73 G C 1.444 176.399 174.900 0.091 0.000 1.237 73 G CA 0.911 46.089 45.100 0.129 0.000 0.802 73 G HN 0.401 nan 8.290 nan 0.000 0.549 74 F N 1.797 121.826 119.950 0.131 0.000 2.146 74 F HA 0.071 4.598 4.527 0.001 0.000 0.298 74 F C 2.948 178.821 175.800 0.122 0.000 1.096 74 F CA 1.000 59.080 58.000 0.133 0.000 1.275 74 F CB -0.668 38.389 39.000 0.094 0.000 1.008 74 F HN 0.200 nan 8.300 nan 0.000 0.480 75 G N -0.371 108.584 108.800 0.258 0.000 2.491 75 G HA2 -0.302 3.659 3.960 0.001 0.000 0.218 75 G HA3 -0.302 3.659 3.960 0.001 0.000 0.218 75 G C 1.525 176.397 174.900 -0.047 0.000 1.180 75 G CA 1.085 46.229 45.100 0.074 0.000 0.774 75 G HN 0.299 nan 8.290 nan 0.000 0.562 76 F N -0.170 119.845 119.950 0.108 0.000 2.416 76 F HA 0.215 4.743 4.527 0.001 0.000 0.296 76 F C 2.325 178.210 175.800 0.142 0.000 1.099 76 F CA 0.260 58.322 58.000 0.104 0.000 1.427 76 F CB -0.244 38.820 39.000 0.107 0.000 1.079 76 F HN 0.095 nan 8.300 nan 0.000 0.536 77 L N 0.083 121.482 121.223 0.293 0.000 2.043 77 L HA -0.232 4.109 4.340 0.001 0.000 0.212 77 L C 1.956 179.013 176.870 0.313 0.000 1.075 77 L CA 1.959 56.944 54.840 0.242 0.000 0.752 77 L CB -0.570 41.589 42.059 0.167 0.000 0.891 77 L HN 0.139 nan 8.230 nan 0.000 0.432 78 M N -1.245 118.522 119.600 0.277 0.000 2.618 78 M HA -0.010 4.471 4.480 0.001 0.000 0.240 78 M C 1.463 177.856 176.300 0.154 0.000 1.123 78 M CA 0.973 56.442 55.300 0.282 0.000 1.060 78 M CB -0.371 32.298 32.600 0.115 0.000 1.535 78 M HN 0.473 nan 8.290 nan 0.000 0.507 79 T N -1.518 113.120 114.554 0.140 0.000 3.215 79 T HA -0.054 4.297 4.350 0.001 0.000 0.254 79 T C 1.241 175.984 174.700 0.071 0.000 1.149 79 T CA -0.025 62.098 62.100 0.038 0.000 1.042 79 T CB -0.953 67.939 68.868 0.039 0.000 0.966 79 T HN 0.520 nan 8.240 nan 0.000 0.534 80 F N 1.476 121.473 119.950 0.079 0.000 2.269 80 F HA 0.265 4.792 4.527 0.001 0.000 0.301 80 F C 0.601 176.422 175.800 0.035 0.000 1.082 80 F CA -0.302 57.729 58.000 0.052 0.000 1.360 80 F CB -0.944 38.066 39.000 0.016 0.000 1.041 80 F HN 0.042 nan 8.300 nan 0.000 0.512 81 L N 2.771 123.414 121.223 -0.967 0.000 2.534 81 L HA -0.023 4.317 4.340 0.001 0.000 0.271 81 L C 1.884 178.623 176.870 -0.218 0.000 1.178 81 L CA 0.057 54.509 54.840 -0.646 0.000 0.907 81 L CB 0.846 42.579 42.059 -0.544 0.000 1.164 81 L HN 0.395 nan 8.230 nan 0.000 0.482 82 Q N 3.192 122.915 119.800 -0.128 0.000 2.181 82 Q HA -0.161 4.180 4.340 0.001 0.000 0.205 82 Q C 1.030 176.992 176.000 -0.063 0.000 0.980 82 Q CA 1.523 57.295 55.803 -0.052 0.000 0.862 82 Q CB -0.009 28.715 28.738 -0.022 0.000 0.905 82 Q HN 0.581 nan 8.270 nan 0.000 0.429 83 R N -1.480 118.994 120.500 -0.043 0.000 2.596 83 R HA 0.165 4.505 4.340 0.001 0.000 0.369 83 R C -0.399 175.913 176.300 0.019 0.000 1.042 83 R CA -0.138 55.931 56.100 -0.052 0.000 1.120 83 R CB 0.707 31.002 30.300 -0.007 0.000 1.353 83 R HN 0.185 nan 8.270 nan 0.000 0.564 84 Y N -0.427 119.771 120.300 -0.170 0.000 2.706 84 Y HA 0.296 4.847 4.550 0.001 0.000 0.255 84 Y C 1.584 177.359 175.900 -0.209 0.000 1.163 84 Y CA -0.720 57.293 58.100 -0.145 0.000 1.174 84 Y CB 0.742 39.178 38.460 -0.040 0.000 1.200 84 Y HN 0.088 nan 8.280 nan 0.000 0.544 85 G N -0.032 108.611 108.800 -0.262 0.000 2.402 85 G HA2 -0.241 3.720 3.960 0.001 0.000 0.216 85 G HA3 -0.241 3.720 3.960 0.001 0.000 0.216 85 G C 1.436 176.156 174.900 -0.300 0.000 1.162 85 G CA 0.755 45.700 45.100 -0.258 0.000 0.777 85 G HN 0.284 nan 8.290 nan 0.000 0.539 86 F N 2.003 121.512 119.950 -0.735 0.000 2.102 86 F HA -0.020 4.507 4.527 0.001 0.000 0.298 86 F C 3.045 178.210 175.800 -1.057 0.000 1.105 86 F CA 1.004 58.322 58.000 -1.136 0.000 1.239 86 F CB -0.975 36.905 39.000 -1.867 0.000 0.991 86 F HN 0.108 nan 8.300 nan 0.000 0.474 87 S N 0.119 115.300 115.700 -0.866 0.000 2.383 87 S HA -0.076 4.394 4.470 0.001 0.000 0.227 87 S C 2.352 176.609 174.600 -0.571 0.000 1.026 87 S CA 0.843 58.348 58.200 -1.160 0.000 0.981 87 S CB -0.664 61.508 63.200 -1.715 0.000 0.818 87 S HN 0.327 nan 8.310 nan 0.000 0.472 88 A N 1.138 123.750 122.820 -0.346 0.000 1.841 88 A HA -0.100 4.221 4.320 0.001 0.000 0.216 88 A C 2.359 179.974 177.584 0.051 0.000 1.199 88 A CA 1.913 53.948 52.037 -0.003 0.000 0.621 88 A CB -1.243 17.728 19.000 -0.049 0.000 0.835 88 A HN 0.350 nan 8.150 nan 0.000 0.445 89 V N -0.278 119.542 119.914 -0.157 0.000 2.453 89 V HA -0.035 4.086 4.120 0.001 0.000 0.247 89 V C 2.383 178.483 176.094 0.009 0.000 1.048 89 V CA 2.403 64.574 62.300 -0.215 0.000 1.049 89 V CB -0.639 30.820 31.823 -0.608 0.000 0.672 89 V HN 0.599 nan 8.190 nan 0.000 0.457 90 G N -1.218 107.609 108.800 0.045 0.000 2.396 90 G HA2 -0.137 3.823 3.960 0.001 0.000 0.214 90 G HA3 -0.137 3.823 3.960 0.001 0.000 0.214 90 G C 1.331 176.562 174.900 0.551 0.000 1.166 90 G CA 0.673 45.987 45.100 0.358 0.000 0.793 90 G HN 0.492 nan 8.290 nan 0.000 0.533 91 F N 1.220 121.357 119.950 0.313 0.000 2.259 91 F HA 0.070 4.598 4.527 0.001 0.000 0.298 91 F C 2.293 178.127 175.800 0.057 0.000 1.088 91 F CA 0.291 58.374 58.000 0.139 0.000 1.358 91 F CB -1.116 37.934 39.000 0.085 0.000 1.040 91 F HN 0.152 nan 8.300 nan 0.000 0.505 92 N N 0.160 119.105 118.700 0.408 0.000 2.104 92 N HA -0.238 4.502 4.740 0.001 0.000 0.190 92 N C 1.866 177.517 175.510 0.234 0.000 1.024 92 N CA 1.044 54.265 53.050 0.284 0.000 0.853 92 N CB -0.462 38.221 38.487 0.326 0.000 1.008 92 N HN 0.040 nan 8.380 nan 0.000 0.424 93 F N 0.914 120.954 119.950 0.150 0.000 2.095 93 F HA -0.104 4.423 4.527 0.001 0.000 0.298 93 F C 1.960 177.899 175.800 0.231 0.000 1.104 93 F CA 0.936 59.082 58.000 0.244 0.000 1.232 93 F CB -1.043 38.091 39.000 0.224 0.000 0.987 93 F HN 0.183 nan 8.300 nan 0.000 0.475 94 L N 0.614 121.962 121.223 0.208 0.000 2.005 94 L HA -0.109 4.231 4.340 0.001 0.000 0.207 94 L C 2.273 179.181 176.870 0.064 0.000 1.072 94 L CA 2.067 56.924 54.840 0.028 0.000 0.744 94 L CB -1.337 40.724 42.059 0.004 0.000 0.895 94 L HN 0.262 nan 8.230 nan 0.000 0.433 95 L N -0.733 120.514 121.223 0.041 0.000 2.083 95 L HA 0.061 4.401 4.340 0.001 0.000 0.209 95 L C 2.446 179.366 176.870 0.085 0.000 1.083 95 L CA 2.100 56.963 54.840 0.038 0.000 0.752 95 L CB -1.957 40.044 42.059 -0.096 0.000 0.899 95 L HN 0.140 nan 8.230 nan 0.000 0.433 96 A N 0.139 122.982 122.820 0.038 0.000 1.929 96 A HA 0.184 4.505 4.320 0.001 0.000 0.216 96 A C 2.528 180.247 177.584 0.225 0.000 1.176 96 A CA 1.487 53.513 52.037 -0.018 0.000 0.628 96 A CB -1.063 17.642 19.000 -0.491 0.000 0.816 96 A HN 0.607 nan 8.150 nan 0.000 0.444 97 A N -0.855 122.164 122.820 0.332 0.000 1.933 97 A HA -0.036 4.285 4.320 0.001 0.000 0.218 97 A C 2.018 179.721 177.584 0.199 0.000 1.175 97 A CA 1.682 53.892 52.037 0.288 0.000 0.628 97 A CB -0.675 18.401 19.000 0.126 0.000 0.814 97 A HN 0.751 nan 8.150 nan 0.000 0.444 98 F N 1.096 121.078 119.950 0.054 0.000 2.128 98 F HA 0.087 4.615 4.527 0.001 0.000 0.295 98 F C 2.256 178.125 175.800 0.115 0.000 1.100 98 F CA 1.419 59.444 58.000 0.042 0.000 1.260 98 F CB -0.938 38.054 39.000 -0.013 0.000 1.009 98 F HN 0.163 nan 8.300 nan 0.000 0.476 99 G N 1.760 110.408 108.800 -0.252 0.000 2.442 99 G HA2 -0.258 3.703 3.960 0.001 0.000 0.219 99 G HA3 -0.258 3.703 3.960 0.001 0.000 0.219 99 G C 1.794 176.581 174.900 -0.188 0.000 1.141 99 G CA 1.290 46.199 45.100 -0.318 0.000 0.763 99 G HN 0.650 nan 8.290 nan 0.000 0.554 100 I N -1.604 118.945 120.570 -0.034 0.000 2.286 100 I HA -0.171 4.000 4.170 0.001 0.000 0.248 100 I C 2.467 178.602 176.117 0.030 0.000 1.115 100 I CA 1.578 62.900 61.300 0.037 0.000 1.392 100 I CB -0.585 37.530 38.000 0.192 0.000 1.065 100 I HN 0.194 nan 8.210 nan 0.000 0.418 101 Q N 0.391 120.209 119.800 0.030 0.000 2.046 101 Q HA -0.201 4.140 4.340 0.001 0.000 0.200 101 Q C 2.124 178.248 176.000 0.206 0.000 0.975 101 Q CA 2.218 58.106 55.803 0.142 0.000 0.836 101 Q CB -0.434 28.325 28.738 0.034 0.000 0.896 101 Q HN 0.773 nan 8.270 nan 0.000 0.428 102 W N 0.888 122.024 121.300 -0.273 0.000 2.388 102 W HA -0.110 4.550 4.660 0.001 0.000 0.294 102 W C 1.993 178.341 176.519 -0.287 0.000 1.212 102 W CA 0.983 58.144 57.345 -0.306 0.000 1.271 102 W CB 0.073 29.180 29.460 -0.589 0.000 1.126 102 W HN 0.172 nan 8.180 nan 0.000 0.535 103 A N 1.046 123.690 122.820 -0.295 0.000 1.902 103 A HA -0.197 4.124 4.320 0.001 0.000 0.217 103 A C 2.025 179.409 177.584 -0.335 0.000 1.181 103 A CA 1.537 53.355 52.037 -0.365 0.000 0.623 103 A CB -1.164 17.684 19.000 -0.252 0.000 0.818 103 A HN 0.361 nan 8.150 nan 0.000 0.443 104 L N -0.721 120.371 121.223 -0.218 0.000 2.043 104 L HA -0.238 4.103 4.340 0.001 0.000 0.212 104 L C 2.586 179.173 176.870 -0.472 0.000 1.075 104 L CA 1.291 55.987 54.840 -0.240 0.000 0.752 104 L CB -0.499 41.505 42.059 -0.091 0.000 0.891 104 L HN 0.407 nan 8.230 nan 0.000 0.432 105 L N -1.824 119.025 121.223 -0.624 0.000 2.023 105 L HA -0.197 4.144 4.340 0.001 0.000 0.205 105 L C 2.677 178.652 176.870 -1.491 0.000 1.073 105 L CA 0.902 55.048 54.840 -1.157 0.000 0.745 105 L CB -0.430 41.003 42.059 -1.043 0.000 0.900 105 L HN 0.244 nan 8.230 nan 0.000 0.435 106 M N -0.423 118.439 119.600 -1.231 0.000 2.086 106 M HA -0.218 4.262 4.480 0.001 0.000 0.261 106 M C 2.307 178.413 176.300 -0.324 0.000 1.067 106 M CA 1.823 56.616 55.300 -0.846 0.000 1.116 106 M CB -1.050 31.017 32.600 -0.889 0.000 1.348 106 M HN 0.298 nan 8.290 nan 0.000 0.407 107 Q N -0.843 118.813 119.800 -0.240 0.000 2.170 107 Q HA -0.088 4.252 4.340 0.001 0.000 0.203 107 Q C 2.080 178.117 176.000 0.061 0.000 0.976 107 Q CA 1.353 57.173 55.803 0.029 0.000 0.858 107 Q CB -0.411 28.321 28.738 -0.010 0.000 0.907 107 Q HN 0.678 nan 8.270 nan 0.000 0.433 108 G N 0.286 108.944 108.800 -0.237 0.000 2.421 108 G HA2 -0.220 3.741 3.960 0.001 0.000 0.216 108 G HA3 -0.220 3.741 3.960 0.001 0.000 0.216 108 G C 0.742 175.489 174.900 -0.254 0.000 1.171 108 G CA 0.373 45.327 45.100 -0.243 0.000 0.775 108 G HN 0.326 nan 8.290 nan 0.000 0.543 109 W N 0.539 121.486 121.300 -0.587 0.000 2.364 109 W HA 0.084 4.745 4.660 0.001 0.000 0.281 109 W C 1.670 177.572 176.519 -1.028 0.000 1.219 109 W CA 0.070 56.730 57.345 -1.142 0.000 1.220 109 W CB -0.972 27.779 29.460 -1.183 0.000 1.127 109 W HN 0.171 nan 8.180 nan 0.000 0.556 110 F N -0.811 118.963 119.950 -0.292 0.000 2.816 110 F HA -0.032 4.496 4.527 0.001 0.000 0.302 110 F C 0.355 175.810 175.800 -0.576 0.000 1.178 110 F CA 0.979 58.726 58.000 -0.422 0.000 1.421 110 F CB -0.805 37.975 39.000 -0.366 0.000 1.114 110 F HN -0.053 nan 8.300 nan 0.000 0.573 111 H N -2.518 116.558 119.070 0.009 0.000 3.074 111 H HA 0.180 4.737 4.556 0.001 0.000 0.227 111 H C -0.214 175.199 175.328 0.141 0.000 1.365 111 H CA -0.896 55.204 56.048 0.087 0.000 1.078 111 H CB -0.522 29.289 29.762 0.082 0.000 2.347 111 H HN 0.011 nan 8.280 nan 0.000 0.567 112 F N 1.674 121.684 119.950 0.100 0.000 2.607 112 F HA 0.013 4.540 4.527 0.001 0.000 0.374 112 F C 0.410 176.275 175.800 0.108 0.000 1.104 112 F CA -0.085 57.969 58.000 0.090 0.000 1.296 112 F CB 0.663 39.679 39.000 0.027 0.000 1.085 112 F HN 0.121 nan 8.300 nan 0.000 0.584 113 L N 4.002 125.432 121.223 0.346 0.000 2.295 113 L HA 0.208 4.548 4.340 0.001 0.000 0.285 113 L C 0.421 177.395 176.870 0.174 0.000 1.035 113 L CA -0.441 54.537 54.840 0.229 0.000 0.806 113 L CB 1.538 43.725 42.059 0.213 0.000 1.214 113 L HN 0.752 nan 8.230 nan 0.000 0.426 114 Q N 2.008 121.877 119.800 0.115 0.000 2.503 114 Q HA -0.233 4.108 4.340 0.001 0.000 0.267 114 Q C -0.206 175.724 176.000 -0.116 0.000 1.030 114 Q CA 0.872 56.706 55.803 0.052 0.000 1.041 114 Q CB -0.714 28.137 28.738 0.189 0.000 1.406 114 Q HN 0.921 nan 8.270 nan 0.000 0.524 115 D N -1.879 118.453 120.400 -0.113 0.000 3.077 115 D HA -0.262 4.379 4.640 0.001 0.000 0.217 115 D C 0.681 176.474 176.300 -0.845 0.000 1.162 115 D CA 1.787 55.649 54.000 -0.230 0.000 0.943 115 D CB -0.836 39.883 40.800 -0.135 0.000 1.122 115 D HN 0.894 nan 8.370 nan 0.000 0.413 116 R N -1.866 117.934 120.500 -1.166 0.000 2.361 116 R HA 0.091 4.431 4.340 0.001 0.000 0.233 116 R C -0.842 174.891 176.300 -0.945 0.000 0.668 116 R CA -0.390 54.821 56.100 -1.482 0.000 0.890 116 R CB -0.013 29.737 30.300 -0.917 0.000 1.565 116 R HN 0.033 nan 8.270 nan 0.000 0.480 117 Y N 1.014 121.225 120.300 -0.149 0.000 2.425 117 Y HA 0.554 5.105 4.550 0.001 0.000 0.344 117 Y C -0.082 176.008 175.900 0.316 0.000 0.969 117 Y CA -1.375 56.819 58.100 0.155 0.000 1.052 117 Y CB 1.857 40.354 38.460 0.062 0.000 1.215 117 Y HN -0.028 nan 8.280 nan 0.000 0.451 118 I N 4.044 124.871 120.570 0.429 0.000 2.306 118 I HA 0.280 4.450 4.170 0.001 0.000 0.288 118 I C -0.804 175.363 176.117 0.084 0.000 1.036 118 I CA -0.746 60.677 61.300 0.205 0.000 1.221 118 I CB 0.733 38.735 38.000 0.004 0.000 1.385 118 I HN 0.264 nan 8.210 nan 0.000 0.472 119 V N 7.562 127.523 119.914 0.077 0.000 2.368 119 V HA 0.156 4.277 4.120 0.001 0.000 0.266 119 V C 0.307 176.393 176.094 -0.014 0.000 1.045 119 V CA -0.646 61.662 62.300 0.014 0.000 0.899 119 V CB 1.161 33.000 31.823 0.026 0.000 1.006 119 V HN 0.514 nan 8.190 nan 0.000 0.470 120 V N 3.170 123.068 119.914 -0.027 0.000 2.439 120 V HA 1.024 5.144 4.120 0.001 0.000 0.282 120 V C 0.462 176.591 176.094 0.058 0.000 1.039 120 V CA 0.129 62.424 62.300 -0.008 0.000 0.913 120 V CB 0.910 32.717 31.823 -0.028 0.000 0.983 120 V HN 0.803 nan 8.190 nan 0.000 0.460 121 G N 2.310 111.110 108.800 -0.001 0.000 3.211 121 G HA2 0.495 4.455 3.960 0.001 0.000 0.262 121 G HA3 0.495 4.455 3.960 0.001 0.000 0.262 121 G C 0.358 175.224 174.900 -0.057 0.000 1.352 121 G CA -0.124 44.968 45.100 -0.014 0.000 1.004 121 G HN 0.680 nan 8.290 nan 0.000 0.559 122 V N 0.146 120.026 119.914 -0.057 0.000 2.392 122 V HA -0.160 3.961 4.120 0.001 0.000 0.249 122 V C 2.611 178.623 176.094 -0.137 0.000 1.059 122 V CA 2.523 64.746 62.300 -0.128 0.000 1.051 122 V CB -0.463 31.327 31.823 -0.056 0.000 0.658 122 V HN 0.878 nan 8.190 nan 0.000 0.455 123 E N 0.635 120.790 120.200 -0.076 0.000 2.118 123 E HA -0.282 4.068 4.350 0.001 0.000 0.195 123 E C 1.947 178.494 176.600 -0.088 0.000 0.992 123 E CA 1.871 58.230 56.400 -0.068 0.000 0.804 123 E CB -0.084 29.587 29.700 -0.048 0.000 0.741 123 E HN 0.745 nan 8.360 nan 0.000 0.458 124 N N 0.007 118.646 118.700 -0.102 0.000 2.166 124 N HA -0.150 4.591 4.740 0.001 0.000 0.186 124 N C 1.587 177.029 175.510 -0.114 0.000 1.019 124 N CA 0.907 53.890 53.050 -0.111 0.000 0.856 124 N CB -0.144 38.278 38.487 -0.107 0.000 0.993 124 N HN 0.101 nan 8.380 nan 0.000 0.426 125 L N 0.720 121.840 121.223 -0.171 0.000 2.056 125 L HA -0.019 4.322 4.340 0.001 0.000 0.207 125 L C 1.924 178.753 176.870 -0.068 0.000 1.078 125 L CA 1.155 55.861 54.840 -0.223 0.000 0.749 125 L CB -0.606 41.054 42.059 -0.664 0.000 0.901 125 L HN 0.218 nan 8.230 nan 0.000 0.433 126 I N -0.460 120.068 120.570 -0.070 0.000 2.163 126 I HA -0.338 3.833 4.170 0.001 0.000 0.243 126 I C 2.176 178.164 176.117 -0.215 0.000 1.085 126 I CA 1.308 62.544 61.300 -0.106 0.000 1.347 126 I CB -0.444 37.477 38.000 -0.131 0.000 1.044 126 I HN 0.382 nan 8.210 nan 0.000 0.408 127 N N 0.967 119.638 118.700 -0.048 0.000 2.188 127 N HA -0.111 4.630 4.740 0.001 0.000 0.184 127 N C 1.912 177.424 175.510 0.003 0.000 1.018 127 N CA 1.502 54.598 53.050 0.076 0.000 0.858 127 N CB -0.221 38.303 38.487 0.062 0.000 0.989 127 N HN 0.362 nan 8.380 nan 0.000 0.426 128 A N 1.308 124.097 122.820 -0.050 0.000 1.902 128 A HA -0.158 4.163 4.320 0.001 0.000 0.217 128 A C 1.822 179.366 177.584 -0.068 0.000 1.181 128 A CA 1.725 53.718 52.037 -0.073 0.000 0.623 128 A CB -0.490 18.487 19.000 -0.039 0.000 0.818 128 A HN 0.131 nan 8.150 nan 0.000 0.443 129 D N -1.126 119.260 120.400 -0.022 0.000 2.144 129 D HA -0.075 4.566 4.640 0.001 0.000 0.200 129 D C 1.490 177.740 176.300 -0.084 0.000 0.978 129 D CA 0.983 54.975 54.000 -0.013 0.000 0.833 129 D CB -0.298 40.532 40.800 0.051 0.000 0.961 129 D HN 0.396 nan 8.370 nan 0.000 0.470 130 F N 0.548 120.418 119.950 -0.133 0.000 2.102 130 F HA -0.182 4.346 4.527 0.001 0.000 0.298 130 F C 2.595 178.155 175.800 -0.401 0.000 1.105 130 F CA 0.335 58.210 58.000 -0.209 0.000 1.239 130 F CB -1.163 37.721 39.000 -0.195 0.000 0.991 130 F HN 0.135 nan 8.300 nan 0.000 0.474 131 C N -0.158 118.868 119.300 -0.456 0.000 2.413 131 C HA -0.155 4.305 4.460 0.001 0.000 0.277 131 C C 2.855 177.416 174.990 -0.715 0.000 1.228 131 C CA 1.403 59.662 59.018 -1.264 0.000 1.731 131 C CB -1.179 26.033 27.740 -0.879 0.000 2.042 131 C HN 0.263 nan 8.230 nan 0.000 0.468 132 V N 1.713 121.406 119.914 -0.369 0.000 2.490 132 V HA -0.139 3.981 4.120 0.001 0.000 0.250 132 V C 2.930 178.869 176.094 -0.258 0.000 1.061 132 V CA 2.035 64.183 62.300 -0.252 0.000 1.064 132 V CB -1.338 30.385 31.823 -0.167 0.000 0.670 132 V HN 0.726 nan 8.190 nan 0.000 0.461 133 A N 0.821 123.517 122.820 -0.207 0.000 1.940 133 A HA -0.254 4.067 4.320 0.001 0.000 0.219 133 A C 2.566 179.959 177.584 -0.320 0.000 1.176 133 A CA 2.364 54.257 52.037 -0.239 0.000 0.631 133 A CB -0.749 18.345 19.000 0.156 0.000 0.814 133 A HN 0.714 nan 8.150 nan 0.000 0.446 134 S N -0.414 115.172 115.700 -0.190 0.000 2.399 134 S HA -0.111 4.360 4.470 0.001 0.000 0.231 134 S C 1.710 176.265 174.600 -0.074 0.000 1.022 134 S CA 1.480 59.650 58.200 -0.051 0.000 0.983 134 S CB -0.832 62.504 63.200 0.225 0.000 0.803 134 S HN 0.306 nan 8.310 nan 0.000 0.480 135 V N 1.392 121.235 119.914 -0.118 0.000 2.453 135 V HA -0.135 3.985 4.120 0.001 0.000 0.247 135 V C 2.858 178.920 176.094 -0.055 0.000 1.048 135 V CA 1.389 63.660 62.300 -0.048 0.000 1.049 135 V CB -1.362 30.433 31.823 -0.046 0.000 0.672 135 V HN 0.665 nan 8.190 nan 0.000 0.457 136 C N -0.221 118.933 119.300 -0.243 0.000 2.413 136 C HA -0.126 4.335 4.460 0.001 0.000 0.276 136 C C 2.770 177.594 174.990 -0.277 0.000 1.248 136 C CA 0.808 59.625 59.018 -0.334 0.000 1.742 136 C CB -1.000 26.146 27.740 -0.991 0.000 2.017 136 C HN 0.437 nan 8.230 nan 0.000 0.481 137 V N 1.613 121.287 119.914 -0.400 0.000 2.233 137 V HA -0.262 3.858 4.120 0.001 0.000 0.247 137 V C 2.784 178.882 176.094 0.005 0.000 1.050 137 V CA 2.429 64.582 62.300 -0.246 0.000 1.010 137 V CB -1.395 30.219 31.823 -0.349 0.000 0.637 137 V HN 0.603 nan 8.190 nan 0.000 0.444 138 A N -0.460 122.401 122.820 0.068 0.000 1.908 138 A HA -0.264 4.057 4.320 0.001 0.000 0.218 138 A C 2.146 179.890 177.584 0.266 0.000 1.181 138 A CA 2.037 54.182 52.037 0.181 0.000 0.627 138 A CB -0.790 18.387 19.000 0.295 0.000 0.818 138 A HN 0.505 nan 8.150 nan 0.000 0.445 139 F N 1.612 121.620 119.950 0.096 0.000 2.154 139 F HA -0.146 4.381 4.527 0.001 0.000 0.301 139 F C 2.262 178.173 175.800 0.185 0.000 1.087 139 F CA 1.084 59.168 58.000 0.139 0.000 1.274 139 F CB -1.093 37.982 39.000 0.124 0.000 1.009 139 F HN 0.198 nan 8.300 nan 0.000 0.485 140 G N -0.540 108.354 108.800 0.157 0.000 2.475 140 G HA2 -0.216 3.745 3.960 0.001 0.000 0.220 140 G HA3 -0.216 3.745 3.960 0.001 0.000 0.220 140 G C 1.828 176.818 174.900 0.150 0.000 1.125 140 G CA 1.002 46.173 45.100 0.118 0.000 0.755 140 G HN 0.636 nan 8.290 nan 0.000 0.565 141 A N 0.210 123.127 122.820 0.162 0.000 1.930 141 A HA 0.193 4.514 4.320 0.001 0.000 0.215 141 A C 2.451 180.135 177.584 0.165 0.000 1.176 141 A CA 1.981 54.106 52.037 0.147 0.000 0.632 141 A CB -0.350 18.714 19.000 0.106 0.000 0.819 141 A HN 0.880 nan 8.150 nan 0.000 0.445 142 V N -2.704 117.329 119.914 0.199 0.000 3.647 142 V HA 0.314 4.435 4.120 0.001 0.000 0.279 142 V C 0.825 177.065 176.094 0.243 0.000 1.314 142 V CA -0.485 61.941 62.300 0.210 0.000 1.125 142 V CB -1.184 30.771 31.823 0.220 0.000 0.907 142 V HN 0.298 nan 8.190 nan 0.000 0.434 143 L N 3.395 124.738 121.223 0.200 0.000 2.640 143 L HA 0.455 4.796 4.340 0.001 0.000 0.280 143 L C 1.308 178.247 176.870 0.114 0.000 1.229 143 L CA 1.950 56.861 54.840 0.118 0.000 0.919 143 L CB -0.084 41.911 42.059 -0.106 0.000 1.168 143 L HN 0.673 nan 8.230 nan 0.000 0.496 144 G N 3.337 112.110 108.800 -0.045 0.000 2.213 144 G HA2 -0.289 3.672 3.960 0.001 0.000 0.236 144 G HA3 -0.289 3.672 3.960 0.001 0.000 0.236 144 G C 0.884 175.402 174.900 -0.636 0.000 0.991 144 G CA 0.425 45.040 45.100 -0.808 0.000 0.629 144 G HN 0.645 nan 8.290 nan 0.000 0.517 145 K N -0.293 119.974 120.400 -0.222 0.000 2.438 145 K HA 0.498 4.819 4.320 0.001 0.000 0.206 145 K C 0.310 176.938 176.600 0.047 0.000 1.081 145 K CA 0.665 56.852 56.287 -0.167 0.000 1.053 145 K CB 1.920 34.327 32.500 -0.156 0.000 0.908 145 K HN 0.784 nan 8.250 nan 0.000 0.556 146 V N -1.164 118.860 119.914 0.182 0.000 2.823 146 V HA 0.561 4.682 4.120 0.001 0.000 0.312 146 V C -0.018 176.193 176.094 0.195 0.000 1.072 146 V CA -1.109 61.301 62.300 0.183 0.000 0.937 146 V CB 1.772 33.687 31.823 0.154 0.000 1.013 146 V HN 0.151 nan 8.190 nan 0.000 0.430 147 S N 2.817 118.550 115.700 0.056 0.000 2.632 147 S HA 0.502 4.973 4.470 0.001 0.000 0.267 147 S C -1.307 172.988 174.600 -0.508 0.000 1.276 147 S CA -0.669 57.365 58.200 -0.277 0.000 0.998 147 S CB 1.093 64.223 63.200 -0.118 0.000 0.953 147 S HN 0.783 nan 8.310 nan 0.000 0.547 148 P HA -0.037 nan 4.420 nan 0.000 0.222 148 P C 1.433 178.398 177.300 -0.559 0.000 1.147 148 P CA 0.935 63.425 63.100 -1.016 0.000 0.790 148 P CB -0.145 30.744 31.700 -1.352 0.000 0.780 149 I N -0.247 120.078 120.570 -0.409 0.000 2.252 149 I HA -0.225 3.946 4.170 0.001 0.000 0.245 149 I C 2.774 178.688 176.117 -0.337 0.000 1.102 149 I CA 1.409 62.532 61.300 -0.294 0.000 1.385 149 I CB -0.725 37.209 38.000 -0.111 0.000 1.064 149 I HN -0.052 nan 8.210 nan 0.000 0.414 150 Q N 0.563 120.196 119.800 -0.278 0.000 2.084 150 Q HA -0.182 4.159 4.340 0.001 0.000 0.202 150 Q C 2.385 178.262 176.000 -0.206 0.000 0.978 150 Q CA 1.411 57.046 55.803 -0.281 0.000 0.844 150 Q CB -0.110 28.561 28.738 -0.112 0.000 0.898 150 Q HN 0.515 nan 8.270 nan 0.000 0.426 151 L N 0.083 121.172 121.223 -0.224 0.000 2.046 151 L HA -0.210 4.131 4.340 0.001 0.000 0.208 151 L C 2.237 179.017 176.870 -0.150 0.000 1.077 151 L CA 0.924 55.640 54.840 -0.206 0.000 0.747 151 L CB -0.346 41.492 42.059 -0.368 0.000 0.896 151 L HN 0.260 nan 8.230 nan 0.000 0.432 152 L N -0.565 120.524 121.223 -0.223 0.000 2.056 152 L HA -0.218 4.122 4.340 0.001 0.000 0.207 152 L C 2.460 179.248 176.870 -0.136 0.000 1.078 152 L CA 1.281 55.994 54.840 -0.212 0.000 0.749 152 L CB -0.350 41.469 42.059 -0.400 0.000 0.901 152 L HN 0.204 nan 8.230 nan 0.000 0.433 153 I N -0.802 119.654 120.570 -0.190 0.000 2.226 153 I HA -0.355 3.816 4.170 0.001 0.000 0.245 153 I C 2.662 178.926 176.117 0.246 0.000 1.100 153 I CA 1.439 62.697 61.300 -0.070 0.000 1.374 153 I CB -0.207 37.630 38.000 -0.273 0.000 1.057 153 I HN 0.307 nan 8.210 nan 0.000 0.413 154 M N 0.349 120.055 119.600 0.177 0.000 2.080 154 M HA -0.238 4.243 4.480 0.001 0.000 0.260 154 M C 2.361 178.867 176.300 0.344 0.000 1.068 154 M CA 2.130 57.621 55.300 0.319 0.000 1.109 154 M CB -0.258 32.482 32.600 0.233 0.000 1.342 154 M HN 0.216 nan 8.290 nan 0.000 0.405 155 T N 0.510 115.219 114.554 0.259 0.000 2.684 155 T HA -0.206 4.145 4.350 0.001 0.000 0.267 155 T C 1.324 176.267 174.700 0.405 0.000 1.036 155 T CA 1.786 64.058 62.100 0.286 0.000 1.148 155 T CB -0.661 68.400 68.868 0.322 0.000 0.863 155 T HN 0.485 nan 8.240 nan 0.000 0.436 156 F N 1.328 121.478 119.950 0.333 0.000 2.065 156 F HA -0.148 4.380 4.527 0.001 0.000 0.298 156 F C 1.728 177.664 175.800 0.226 0.000 1.112 156 F CA 1.360 59.478 58.000 0.197 0.000 1.212 156 F CB -0.555 38.298 39.000 -0.244 0.000 0.975 156 F HN 0.106 nan 8.300 nan 0.000 0.476 157 F N 0.250 120.353 119.950 0.255 0.000 2.234 157 F HA -0.077 4.451 4.527 0.001 0.000 0.296 157 F C 2.687 178.545 175.800 0.096 0.000 1.089 157 F CA 1.545 59.637 58.000 0.154 0.000 1.343 157 F CB -1.076 38.098 39.000 0.291 0.000 1.040 157 F HN 0.070 nan 8.300 nan 0.000 0.498 158 Q N 0.328 120.266 119.800 0.231 0.000 2.123 158 Q HA -0.126 4.214 4.340 0.001 0.000 0.199 158 Q C 2.222 178.255 176.000 0.055 0.000 0.966 158 Q CA 1.373 57.130 55.803 -0.076 0.000 0.845 158 Q CB -0.069 28.497 28.738 -0.286 0.000 0.907 158 Q HN 0.260 nan 8.270 nan 0.000 0.439 159 V N 0.579 120.528 119.914 0.058 0.000 2.332 159 V HA -0.293 3.828 4.120 0.001 0.000 0.248 159 V C 2.240 178.284 176.094 -0.083 0.000 1.055 159 V CA 2.234 64.506 62.300 -0.047 0.000 1.038 159 V CB -0.918 30.843 31.823 -0.104 0.000 0.651 159 V HN 0.476 nan 8.190 nan 0.000 0.450 160 T N 0.374 114.890 114.554 -0.064 0.000 2.684 160 T HA -0.161 4.190 4.350 0.001 0.000 0.267 160 T C 1.886 176.603 174.700 0.029 0.000 1.036 160 T CA 1.695 63.762 62.100 -0.056 0.000 1.148 160 T CB -0.324 68.554 68.868 0.017 0.000 0.863 160 T HN 0.298 nan 8.240 nan 0.000 0.436 161 L N -0.187 121.091 121.223 0.091 0.000 2.046 161 L HA -0.015 4.325 4.340 0.001 0.000 0.208 161 L C 2.247 179.021 176.870 -0.159 0.000 1.077 161 L CA 1.290 56.183 54.840 0.089 0.000 0.747 161 L CB -0.578 41.642 42.059 0.269 0.000 0.896 161 L HN 0.203 nan 8.230 nan 0.000 0.432 162 F N 0.823 120.549 119.950 -0.373 0.000 2.091 162 F HA -0.333 4.195 4.527 0.001 0.000 0.299 162 F C 2.440 177.981 175.800 -0.432 0.000 1.103 162 F CA 1.617 59.217 58.000 -0.667 0.000 1.228 162 F CB -0.194 38.593 39.000 -0.355 0.000 0.984 162 F HN 0.022 nan 8.300 nan 0.000 0.477 163 A N -0.305 122.500 122.820 -0.025 0.000 1.902 163 A HA -0.126 4.194 4.320 0.001 0.000 0.217 163 A C 2.256 179.643 177.584 -0.330 0.000 1.181 163 A CA 1.948 53.940 52.037 -0.076 0.000 0.623 163 A CB -1.339 17.696 19.000 0.058 0.000 0.818 163 A HN 0.295 nan 8.150 nan 0.000 0.443 164 V N 0.588 120.372 119.914 -0.217 0.000 2.358 164 V HA -0.235 3.886 4.120 0.001 0.000 0.246 164 V C 2.407 178.345 176.094 -0.260 0.000 1.047 164 V CA 2.267 64.435 62.300 -0.221 0.000 1.035 164 V CB -1.097 30.717 31.823 -0.015 0.000 0.658 164 V HN 0.737 nan 8.190 nan 0.000 0.452 165 N N 0.410 118.903 118.700 -0.345 0.000 2.084 165 N HA -0.234 4.507 4.740 0.001 0.000 0.190 165 N C 1.930 177.180 175.510 -0.432 0.000 1.030 165 N CA 1.909 54.729 53.050 -0.384 0.000 0.849 165 N CB -0.199 37.948 38.487 -0.568 0.000 1.012 165 N HN 0.582 nan 8.380 nan 0.000 0.423 166 E N -1.174 118.660 120.200 -0.610 0.000 2.085 166 E HA -0.236 4.115 4.350 0.001 0.000 0.194 166 E C 1.730 178.122 176.600 -0.346 0.000 0.994 166 E CA 1.024 57.109 56.400 -0.526 0.000 0.801 166 E CB -0.283 29.049 29.700 -0.613 0.000 0.743 166 E HN 0.483 nan 8.360 nan 0.000 0.453 167 F N 1.004 120.622 119.950 -0.553 0.000 2.146 167 F HA -0.125 4.403 4.527 0.001 0.000 0.298 167 F C 1.930 177.528 175.800 -0.336 0.000 1.096 167 F CA 1.408 59.070 58.000 -0.563 0.000 1.275 167 F CB -0.131 38.210 39.000 -1.097 0.000 1.008 167 F HN -0.002 nan 8.300 nan 0.000 0.480 168 I N -0.439 119.999 120.570 -0.220 0.000 2.163 168 I HA -0.318 3.853 4.170 0.001 0.000 0.243 168 I C 2.172 178.158 176.117 -0.218 0.000 1.085 168 I CA 1.010 62.196 61.300 -0.190 0.000 1.347 168 I CB -0.541 37.414 38.000 -0.075 0.000 1.044 168 I HN 0.170 nan 8.210 nan 0.000 0.408 169 L N -0.448 120.652 121.223 -0.205 0.000 1.988 169 L HA -0.178 4.163 4.340 0.001 0.000 0.207 169 L C 2.222 178.998 176.870 -0.157 0.000 1.071 169 L CA 1.795 56.548 54.840 -0.144 0.000 0.744 169 L CB -0.702 41.269 42.059 -0.146 0.000 0.893 169 L HN 0.115 nan 8.230 nan 0.000 0.433 170 L N -1.132 119.965 121.223 -0.211 0.000 2.095 170 L HA -0.079 4.261 4.340 0.001 0.000 0.204 170 L C 2.001 178.735 176.870 -0.227 0.000 1.080 170 L CA 1.562 56.299 54.840 -0.172 0.000 0.759 170 L CB -0.982 40.999 42.059 -0.129 0.000 0.914 170 L HN 0.304 nan 8.230 nan 0.000 0.439 171 N N -1.414 117.038 118.700 -0.413 0.000 2.333 171 N HA 0.053 4.794 4.740 0.001 0.000 0.183 171 N C 1.749 177.010 175.510 -0.415 0.000 1.030 171 N CA 0.561 53.309 53.050 -0.503 0.000 0.867 171 N CB -0.016 37.888 38.487 -0.971 0.000 1.027 171 N HN 0.093 nan 8.380 nan 0.000 0.435 172 L N 0.222 121.172 121.223 -0.455 0.000 2.095 172 L HA 0.086 4.427 4.340 0.001 0.000 0.204 172 L C 1.538 178.364 176.870 -0.073 0.000 1.080 172 L CA 0.881 55.584 54.840 -0.229 0.000 0.759 172 L CB -0.259 41.694 42.059 -0.176 0.000 0.914 172 L HN 0.161 nan 8.230 nan 0.000 0.439 173 L N -0.837 120.365 121.223 -0.035 0.000 2.567 173 L HA 0.080 4.421 4.340 0.001 0.000 0.225 173 L C 0.415 177.308 176.870 0.037 0.000 1.119 173 L CA -0.145 54.784 54.840 0.148 0.000 0.871 173 L CB 0.071 42.260 42.059 0.216 0.000 1.036 173 L HN 0.148 nan 8.230 nan 0.000 0.459 174 K N 0.055 120.410 120.400 -0.076 0.000 3.071 174 K HA -0.145 4.176 4.320 0.001 0.000 0.265 174 K C -0.295 176.263 176.600 -0.069 0.000 1.060 174 K CA 0.271 56.494 56.287 -0.106 0.000 0.767 174 K CB -2.588 29.820 32.500 -0.154 0.000 1.241 174 K HN 0.098 nan 8.250 nan 0.000 0.486 175 V N 0.869 120.763 119.914 -0.034 0.000 2.732 175 V HA 0.107 4.227 4.120 0.001 0.000 0.297 175 V C 1.014 177.095 176.094 -0.021 0.000 1.060 175 V CA -0.181 62.112 62.300 -0.012 0.000 1.038 175 V CB 1.138 32.964 31.823 0.004 0.000 1.003 175 V HN 0.149 nan 8.190 nan 0.000 0.481 176 K N 2.839 123.236 120.400 -0.005 0.000 2.185 176 K HA 0.506 4.827 4.320 0.001 0.000 0.269 176 K C -0.861 175.747 176.600 0.014 0.000 0.987 176 K CA -0.415 55.883 56.287 0.017 0.000 0.865 176 K CB 1.070 33.589 32.500 0.031 0.000 1.090 176 K HN 0.593 nan 8.250 nan 0.000 0.450 177 D N 2.013 122.417 120.400 0.007 0.000 3.118 177 D HA 0.202 4.843 4.640 0.001 0.000 0.259 177 D C 0.457 176.732 176.300 -0.042 0.000 1.292 177 D CA -0.245 53.753 54.000 -0.002 0.000 0.784 177 D CB 0.566 41.358 40.800 -0.012 0.000 1.413 177 D HN 0.508 nan 8.370 nan 0.000 0.583 178 A N 0.576 123.378 122.820 -0.029 0.000 1.908 178 A HA 0.056 4.377 4.320 0.001 0.000 0.218 178 A C 1.927 179.402 177.584 -0.181 0.000 1.181 178 A CA 1.821 53.801 52.037 -0.095 0.000 0.627 178 A CB -0.362 18.613 19.000 -0.042 0.000 0.818 178 A HN 0.449 nan 8.150 nan 0.000 0.445 179 G N -2.316 106.460 108.800 -0.040 0.000 3.189 179 G HA2 0.395 4.355 3.960 0.001 0.000 0.225 179 G HA3 0.395 4.355 3.960 0.001 0.000 0.225 179 G C 1.046 176.041 174.900 0.158 0.000 1.159 179 G CA 0.500 45.638 45.100 0.063 0.000 0.763 179 G HN 1.636 nan 8.290 nan 0.000 0.549 180 G N 0.342 109.165 108.800 0.038 0.000 2.221 180 G HA2 -0.305 3.655 3.960 0.001 0.000 0.265 180 G HA3 -0.305 3.655 3.960 0.001 0.000 0.265 180 G C 1.290 176.394 174.900 0.340 0.000 1.041 180 G CA 0.715 45.878 45.100 0.104 0.000 0.807 180 G HN 0.399 nan 8.290 nan 0.000 0.502 181 S N -0.616 115.296 115.700 0.353 0.000 2.383 181 S HA -0.117 4.354 4.470 0.001 0.000 0.229 181 S C 2.448 177.243 174.600 0.325 0.000 1.030 181 S CA 1.880 60.314 58.200 0.389 0.000 1.002 181 S CB -0.168 63.172 63.200 0.233 0.000 0.829 181 S HN 0.649 nan 8.310 nan 0.000 0.467 182 M N 0.580 120.309 119.600 0.216 0.000 2.384 182 M HA -0.024 4.457 4.480 0.001 0.000 0.258 182 M C 2.639 179.044 176.300 0.175 0.000 1.130 182 M CA 1.492 56.901 55.300 0.181 0.000 1.187 182 M CB -0.991 31.667 32.600 0.097 0.000 1.307 182 M HN 0.409 nan 8.290 nan 0.000 0.468 183 T N -0.822 113.770 114.554 0.064 0.000 2.951 183 T HA 0.057 4.408 4.350 0.001 0.000 0.268 183 T C 1.582 176.378 174.700 0.159 0.000 1.073 183 T CA 0.910 62.951 62.100 -0.098 0.000 1.134 183 T CB -0.341 68.339 68.868 -0.312 0.000 0.884 183 T HN 0.264 nan 8.240 nan 0.000 0.479 184 I N -0.376 120.347 120.570 0.256 0.000 2.962 184 I HA 0.113 4.284 4.170 0.001 0.000 0.246 184 I C 2.891 179.112 176.117 0.172 0.000 1.091 184 I CA 0.219 61.673 61.300 0.258 0.000 1.469 184 I CB -0.116 37.890 38.000 0.009 0.000 1.324 184 I HN 0.142 nan 8.210 nan 0.000 0.461 185 H N 0.493 119.791 119.070 0.380 0.000 2.294 185 H HA -0.022 4.535 4.556 0.001 0.000 0.306 185 H C 2.298 177.813 175.328 0.312 0.000 1.065 185 H CA 1.948 58.215 56.048 0.365 0.000 1.343 185 H CB -0.549 29.476 29.762 0.437 0.000 1.396 185 H HN 0.204 nan 8.280 nan 0.000 0.506 186 T N 1.967 116.792 114.554 0.453 0.000 2.684 186 T HA -0.175 4.176 4.350 0.001 0.000 0.267 186 T C 1.889 176.850 174.700 0.434 0.000 1.036 186 T CA 1.505 63.872 62.100 0.444 0.000 1.148 186 T CB -0.606 68.494 68.868 0.387 0.000 0.863 186 T HN 0.177 nan 8.240 nan 0.000 0.436 187 F N 2.052 122.155 119.950 0.256 0.000 2.075 187 F HA 0.042 4.569 4.527 0.001 0.000 0.297 187 F C 2.464 178.413 175.800 0.248 0.000 1.113 187 F CA 1.459 59.593 58.000 0.223 0.000 1.218 187 F CB -0.993 38.085 39.000 0.130 0.000 0.984 187 F HN 0.160 nan 8.300 nan 0.000 0.472 188 G N -0.328 108.542 108.800 0.116 0.000 2.442 188 G HA2 -0.224 3.736 3.960 0.001 0.000 0.219 188 G HA3 -0.224 3.736 3.960 0.001 0.000 0.219 188 G C 1.777 176.676 174.900 -0.002 0.000 1.141 188 G CA 0.934 46.031 45.100 -0.005 0.000 0.763 188 G HN 0.664 nan 8.290 nan 0.000 0.554 189 A N 0.011 122.830 122.820 -0.002 0.000 1.873 189 A HA 0.102 4.423 4.320 0.001 0.000 0.215 189 A C 2.234 179.645 177.584 -0.289 0.000 1.186 189 A CA 1.411 53.353 52.037 -0.158 0.000 0.616 189 A CB -0.535 18.297 19.000 -0.280 0.000 0.823 189 A HN 0.376 nan 8.150 nan 0.000 0.442 190 Y N -1.940 118.406 120.300 0.077 0.000 2.395 190 Y HA 0.016 4.567 4.550 0.001 0.000 0.293 190 Y C 1.991 177.898 175.900 0.011 0.000 1.123 190 Y CA 0.526 58.655 58.100 0.049 0.000 1.227 190 Y CB -0.591 37.908 38.460 0.066 0.000 1.012 190 Y HN 0.431 nan 8.280 nan 0.000 0.552 191 F N 0.436 120.314 119.950 -0.121 0.000 2.051 191 F HA -0.076 4.452 4.527 0.001 0.000 0.296 191 F C 2.419 178.173 175.800 -0.077 0.000 1.122 191 F CA 1.858 59.745 58.000 -0.187 0.000 1.201 191 F CB -0.797 37.902 39.000 -0.501 0.000 0.978 191 F HN -0.000 nan 8.300 nan 0.000 0.472 192 G N 0.775 109.605 108.800 0.050 0.000 2.469 192 G HA2 -0.265 3.696 3.960 0.001 0.000 0.219 192 G HA3 -0.265 3.696 3.960 0.001 0.000 0.219 192 G C 1.732 176.604 174.900 -0.046 0.000 1.150 192 G CA 1.362 46.468 45.100 0.010 0.000 0.763 192 G HN 0.451 nan 8.290 nan 0.000 0.561 193 L N 0.240 121.444 121.223 -0.031 0.000 2.109 193 L HA -0.027 4.313 4.340 0.001 0.000 0.207 193 L C 3.180 180.053 176.870 0.005 0.000 1.086 193 L CA 1.358 56.202 54.840 0.006 0.000 0.760 193 L CB -0.619 41.454 42.059 0.024 0.000 0.910 193 L HN 0.152 nan 8.230 nan 0.000 0.437 194 T N -0.559 113.977 114.554 -0.030 0.000 2.708 194 T HA -0.161 4.189 4.350 0.001 0.000 0.266 194 T C 2.026 176.651 174.700 -0.125 0.000 1.037 194 T CA 1.388 63.451 62.100 -0.063 0.000 1.146 194 T CB -0.232 68.588 68.868 -0.081 0.000 0.865 194 T HN 0.039 nan 8.240 nan 0.000 0.435 195 V N 1.143 120.908 119.914 -0.248 0.000 2.287 195 V HA -0.204 3.916 4.120 0.001 0.000 0.248 195 V C 2.826 178.879 176.094 -0.069 0.000 1.053 195 V CA 2.192 64.360 62.300 -0.220 0.000 1.027 195 V CB -0.984 30.646 31.823 -0.322 0.000 0.646 195 V HN 0.521 nan 8.190 nan 0.000 0.447 196 T N -0.809 113.732 114.554 -0.022 0.000 2.821 196 T HA -0.212 4.138 4.350 0.001 0.000 0.267 196 T C 2.064 176.813 174.700 0.082 0.000 1.046 196 T CA 1.694 63.823 62.100 0.049 0.000 1.139 196 T CB -0.154 68.762 68.868 0.079 0.000 0.871 196 T HN 0.360 nan 8.240 nan 0.000 0.454 197 R N 1.150 121.688 120.500 0.063 0.000 2.073 197 R HA 0.043 4.384 4.340 0.001 0.000 0.234 197 R C 2.200 178.546 176.300 0.077 0.000 1.134 197 R CA 1.466 57.615 56.100 0.081 0.000 0.952 197 R CB -0.951 29.375 30.300 0.043 0.000 0.850 197 R HN 0.364 nan 8.270 nan 0.000 0.433 198 I N 0.670 121.258 120.570 0.029 0.000 2.286 198 I HA -0.207 3.963 4.170 0.001 0.000 0.248 198 I C 1.585 177.728 176.117 0.042 0.000 1.115 198 I CA 1.187 62.498 61.300 0.018 0.000 1.392 198 I CB -0.699 37.290 38.000 -0.019 0.000 1.065 198 I HN 0.215 nan 8.210 nan 0.000 0.418 199 L N -0.032 121.220 121.223 0.048 0.000 2.645 199 L HA -0.008 4.333 4.340 0.001 0.000 0.234 199 L C 0.496 177.408 176.870 0.071 0.000 1.165 199 L CA -0.424 54.442 54.840 0.044 0.000 0.944 199 L CB -0.904 41.174 42.059 0.032 0.000 1.149 199 L HN 0.113 nan 8.230 nan 0.000 0.446 200 Y N 2.473 122.770 120.300 -0.006 0.000 2.895 200 Y HA -0.117 4.434 4.550 0.001 0.000 0.334 200 Y C 0.477 176.372 175.900 -0.007 0.000 1.261 200 Y CA 0.090 58.194 58.100 0.007 0.000 1.560 200 Y CB 0.223 38.684 38.460 0.002 0.000 1.253 200 Y HN 0.113 nan 8.280 nan 0.000 0.582 201 R N 6.847 126.915 120.500 -0.719 0.000 2.288 201 R HA 0.248 4.588 4.340 0.001 0.000 0.326 201 R C 1.080 176.873 176.300 -0.846 0.000 0.959 201 R CA -0.678 55.070 56.100 -0.587 0.000 0.834 201 R CB 1.107 31.233 30.300 -0.290 0.000 1.157 201 R HN 0.798 nan 8.270 nan 0.000 0.470 202 R N 1.615 121.739 120.500 -0.627 0.000 2.120 202 R HA -0.050 4.291 4.340 0.001 0.000 0.234 202 R C 0.315 176.524 176.300 -0.153 0.000 1.123 202 R CA 1.226 57.121 56.100 -0.341 0.000 0.975 202 R CB 0.276 30.534 30.300 -0.071 0.000 0.866 202 R HN 0.465 nan 8.270 nan 0.000 0.446 203 N N 0.630 119.251 118.700 -0.133 0.000 2.389 203 N HA -0.015 4.725 4.740 0.001 0.000 0.260 203 N C 0.545 176.034 175.510 -0.035 0.000 1.191 203 N CA -0.028 52.993 53.050 -0.047 0.000 0.885 203 N CB 0.931 39.407 38.487 -0.018 0.000 1.162 203 N HN 0.126 nan 8.380 nan 0.000 0.512 204 L N 1.861 123.048 121.223 -0.060 0.000 2.191 204 L HA -0.135 4.205 4.340 0.001 0.000 0.212 204 L C 2.138 179.050 176.870 0.071 0.000 1.103 204 L CA 1.729 56.570 54.840 0.001 0.000 0.769 204 L CB -0.308 41.755 42.059 0.007 0.000 0.908 204 L HN 0.290 nan 8.230 nan 0.000 0.438 205 E N -1.415 118.818 120.200 0.055 0.000 2.267 205 E HA -0.310 4.041 4.350 0.001 0.000 0.197 205 E C 1.795 178.433 176.600 0.063 0.000 0.998 205 E CA 1.392 57.830 56.400 0.064 0.000 0.830 205 E CB -0.583 29.149 29.700 0.052 0.000 0.751 205 E HN 0.672 nan 8.360 nan 0.000 0.491 206 Q N 0.386 120.218 119.800 0.054 0.000 2.291 206 Q HA -0.036 4.304 4.340 0.001 0.000 0.206 206 Q C 1.338 177.381 176.000 0.072 0.000 0.976 206 Q CA 1.320 57.155 55.803 0.053 0.000 0.875 206 Q CB 0.116 28.880 28.738 0.044 0.000 0.927 206 Q HN 0.216 nan 8.270 nan 0.000 0.450 207 S N -0.260 115.505 115.700 0.107 0.000 2.539 207 S HA 0.099 4.570 4.470 0.001 0.000 0.221 207 S C 1.145 175.864 174.600 0.198 0.000 0.987 207 S CA -0.176 58.126 58.200 0.171 0.000 0.929 207 S CB 0.311 63.642 63.200 0.218 0.000 0.832 207 S HN 0.172 nan 8.310 nan 0.000 0.492 208 K N 2.231 122.703 120.400 0.120 0.000 2.362 208 K HA -0.067 4.254 4.320 0.001 0.000 0.200 208 K C 2.092 178.698 176.600 0.010 0.000 1.046 208 K CA 0.916 57.235 56.287 0.054 0.000 0.952 208 K CB 0.113 32.639 32.500 0.044 0.000 0.753 208 K HN 0.406 nan 8.250 nan 0.000 0.466 209 E N 0.261 120.480 120.200 0.033 0.000 2.338 209 E HA -0.211 4.140 4.350 0.001 0.000 0.197 209 E C 1.114 177.718 176.600 0.006 0.000 1.007 209 E CA 1.044 57.454 56.400 0.017 0.000 0.849 209 E CB 0.026 29.742 29.700 0.027 0.000 0.774 209 E HN 0.295 nan 8.360 nan 0.000 0.506 210 R N 0.182 120.694 120.500 0.019 0.000 2.334 210 R HA 0.134 4.474 4.340 0.001 0.000 0.212 210 R C 1.104 177.308 176.300 -0.160 0.000 0.897 210 R CA -0.041 56.060 56.100 0.001 0.000 1.056 210 R CB 0.284 30.649 30.300 0.109 0.000 1.046 210 R HN 0.115 nan 8.270 nan 0.000 0.513 211 Q N 2.289 121.906 119.800 -0.306 0.000 3.247 211 Q HA 0.032 4.373 4.340 0.001 0.000 0.326 211 Q C -1.226 174.611 176.000 -0.272 0.000 1.402 211 Q CA -0.144 55.274 55.803 -0.642 0.000 0.994 211 Q CB -0.188 28.064 28.738 -0.810 0.000 1.647 211 Q HN 0.276 nan 8.270 nan 0.000 0.523 212 N N -2.128 116.471 118.700 -0.168 0.000 3.261 212 N HA 0.193 4.934 4.740 0.001 0.000 0.248 212 N C -1.357 174.160 175.510 0.011 0.000 1.498 212 N CA -0.703 52.341 53.050 -0.011 0.000 0.884 212 N CB 0.519 38.997 38.487 -0.015 0.000 1.428 212 N HN 0.076 nan 8.380 nan 0.000 0.517 213 S N -1.248 114.505 115.700 0.089 0.000 2.718 213 S HA 0.884 5.355 4.470 0.001 0.000 0.300 213 S C 0.050 174.688 174.600 0.063 0.000 1.117 213 S CA -0.289 57.969 58.200 0.097 0.000 1.002 213 S CB 1.026 64.326 63.200 0.168 0.000 1.092 213 S HN 1.245 nan 8.310 nan 0.000 0.542 214 V N -1.074 118.883 119.914 0.073 0.000 3.166 214 V HA 0.533 4.654 4.120 0.001 0.000 0.317 214 V C 0.904 177.075 176.094 0.129 0.000 1.136 214 V CA -0.936 61.421 62.300 0.095 0.000 1.035 214 V CB 0.408 32.282 31.823 0.085 0.000 1.110 214 V HN 0.939 nan 8.190 nan 0.000 0.450 215 Y N 1.477 121.783 120.300 0.009 0.000 2.069 215 Y HA -0.283 4.267 4.550 0.001 0.000 0.278 215 Y C 2.498 178.396 175.900 -0.003 0.000 1.175 215 Y CA 3.016 61.111 58.100 -0.008 0.000 1.134 215 Y CB -0.292 38.156 38.460 -0.021 0.000 0.965 215 Y HN 0.829 nan 8.280 nan 0.000 0.498 216 Q N -0.645 119.215 119.800 0.100 0.000 2.172 216 Q HA -0.103 4.238 4.340 0.001 0.000 0.200 216 Q C 2.501 178.553 176.000 0.086 0.000 0.964 216 Q CA 1.608 57.418 55.803 0.012 0.000 0.855 216 Q CB -0.566 28.243 28.738 0.118 0.000 0.918 216 Q HN 0.549 nan 8.270 nan 0.000 0.444 217 S N 0.365 116.167 115.700 0.169 0.000 2.428 217 S HA -0.138 4.333 4.470 0.001 0.000 0.230 217 S C 1.316 176.028 174.600 0.187 0.000 1.014 217 S CA 1.079 59.426 58.200 0.246 0.000 0.957 217 S CB -0.123 63.165 63.200 0.147 0.000 0.784 217 S HN 0.191 nan 8.310 nan 0.000 0.499 218 D N 1.555 121.989 120.400 0.057 0.000 2.183 218 D HA 0.103 4.743 4.640 0.001 0.000 0.203 218 D C 1.915 178.165 176.300 -0.083 0.000 0.969 218 D CA 0.666 54.662 54.000 -0.006 0.000 0.842 218 D CB -0.185 40.562 40.800 -0.089 0.000 0.957 218 D HN 0.396 nan 8.370 nan 0.000 0.484 219 L N -0.364 120.750 121.223 -0.183 0.000 2.072 219 L HA -0.114 4.227 4.340 0.001 0.000 0.205 219 L C 2.288 179.061 176.870 -0.162 0.000 1.079 219 L CA 0.619 55.307 54.840 -0.253 0.000 0.752 219 L CB -0.318 41.503 42.059 -0.398 0.000 0.906 219 L HN -0.061 nan 8.230 nan 0.000 0.436 220 F N 0.314 120.252 119.950 -0.020 0.000 2.126 220 F HA -0.224 4.304 4.527 0.001 0.000 0.299 220 F C 2.610 178.478 175.800 0.114 0.000 1.096 220 F CA 1.285 59.316 58.000 0.052 0.000 1.255 220 F CB -0.844 38.257 39.000 0.168 0.000 0.997 220 F HN 0.015 nan 8.300 nan 0.000 0.479 221 A N -0.565 122.437 122.820 0.304 0.000 1.972 221 A HA -0.187 4.134 4.320 0.001 0.000 0.219 221 A C 2.188 179.849 177.584 0.129 0.000 1.169 221 A CA 1.402 53.587 52.037 0.247 0.000 0.635 221 A CB -0.572 18.566 19.000 0.229 0.000 0.810 221 A HN 0.209 nan 8.150 nan 0.000 0.446 222 M N -0.381 119.237 119.600 0.031 0.000 2.358 222 M HA -0.031 4.449 4.480 0.001 0.000 0.264 222 M C 1.949 178.236 176.300 -0.022 0.000 1.064 222 M CA 0.918 56.191 55.300 -0.044 0.000 1.093 222 M CB -1.165 31.363 32.600 -0.121 0.000 1.401 222 M HN 0.454 nan 8.290 nan 0.000 0.440 223 I N -0.526 120.053 120.570 0.015 0.000 2.179 223 I HA -0.217 3.954 4.170 0.001 0.000 0.242 223 I C 2.533 178.762 176.117 0.186 0.000 1.088 223 I CA 1.442 62.769 61.300 0.045 0.000 1.357 223 I CB -0.983 36.929 38.000 -0.146 0.000 1.051 223 I HN 0.309 nan 8.210 nan 0.000 0.409 224 G N 0.193 109.121 108.800 0.213 0.000 2.421 224 G HA2 -0.221 3.739 3.960 0.001 0.000 0.216 224 G HA3 -0.221 3.739 3.960 0.001 0.000 0.216 224 G C 1.649 176.639 174.900 0.150 0.000 1.171 224 G CA 1.365 46.610 45.100 0.240 0.000 0.775 224 G HN 0.274 nan 8.290 nan 0.000 0.543 225 T N 1.464 116.071 114.554 0.088 0.000 2.665 225 T HA -0.095 4.256 4.350 0.001 0.000 0.268 225 T C 2.415 177.148 174.700 0.055 0.000 1.035 225 T CA 1.174 63.301 62.100 0.046 0.000 1.151 225 T CB -0.259 68.587 68.868 -0.037 0.000 0.862 225 T HN 0.135 nan 8.240 nan 0.000 0.438 226 L N -0.724 120.483 121.223 -0.027 0.000 2.093 226 L HA 0.025 4.366 4.340 0.001 0.000 0.208 226 L C 2.283 179.064 176.870 -0.149 0.000 1.085 226 L CA 1.204 55.968 54.840 -0.127 0.000 0.755 226 L CB -0.487 41.407 42.059 -0.275 0.000 0.904 226 L HN 0.222 nan 8.230 nan 0.000 0.435 227 F N -0.146 119.761 119.950 -0.071 0.000 2.259 227 F HA -0.158 4.370 4.527 0.001 0.000 0.298 227 F C 2.253 178.016 175.800 -0.061 0.000 1.088 227 F CA 0.980 58.872 58.000 -0.180 0.000 1.358 227 F CB -0.220 38.684 39.000 -0.161 0.000 1.040 227 F HN -0.063 nan 8.300 nan 0.000 0.505 228 L N -1.859 119.481 121.223 0.195 0.000 2.017 228 L HA -0.240 4.101 4.340 0.001 0.000 0.208 228 L C 2.291 179.417 176.870 0.426 0.000 1.073 228 L CA 1.560 56.523 54.840 0.206 0.000 0.745 228 L CB -0.755 41.395 42.059 0.152 0.000 0.894 228 L HN 0.297 nan 8.230 nan 0.000 0.432 229 W N 0.450 121.846 121.300 0.160 0.000 2.379 229 W HA -0.181 4.480 4.660 0.001 0.000 0.307 229 W C 2.552 179.140 176.519 0.115 0.000 1.200 229 W CA 1.369 58.788 57.345 0.122 0.000 1.297 229 W CB -0.034 29.407 29.460 -0.032 0.000 1.140 229 W HN -0.016 nan 8.180 nan 0.000 0.507 230 M N -1.218 118.580 119.600 0.329 0.000 2.175 230 M HA -0.220 4.261 4.480 0.001 0.000 0.264 230 M C 1.251 177.732 176.300 0.301 0.000 1.063 230 M CA 1.378 56.795 55.300 0.194 0.000 1.119 230 M CB -0.623 31.921 32.600 -0.094 0.000 1.377 230 M HN -0.031 nan 8.290 nan 0.000 0.415 231 Y N -2.011 118.406 120.300 0.194 0.000 2.457 231 Y HA -0.026 4.525 4.550 0.001 0.000 0.263 231 Y C 1.764 177.787 175.900 0.206 0.000 1.164 231 Y CA -0.630 57.578 58.100 0.179 0.000 1.274 231 Y CB -0.672 37.894 38.460 0.177 0.000 1.097 231 Y HN 0.359 nan 8.280 nan 0.000 0.523 232 W N 2.154 123.564 121.300 0.184 0.000 2.342 232 W HA -0.117 4.544 4.660 0.001 0.000 0.297 232 W C -1.027 175.598 176.519 0.177 0.000 1.213 232 W CA 1.402 58.824 57.345 0.128 0.000 1.251 232 W CB -1.396 28.026 29.460 -0.063 0.000 1.136 232 W HN 0.127 nan 8.180 nan 0.000 0.526 233 P HA -0.140 nan 4.420 nan 0.000 0.218 233 P C 1.879 179.322 177.300 0.239 0.000 1.148 233 P CA 2.354 65.610 63.100 0.261 0.000 0.822 233 P CB -0.113 31.694 31.700 0.178 0.000 0.784 234 S N -1.412 114.424 115.700 0.226 0.000 2.371 234 S HA -0.113 4.358 4.470 0.001 0.000 0.224 234 S C 1.602 176.339 174.600 0.230 0.000 1.029 234 S CA 0.684 58.979 58.200 0.157 0.000 0.978 234 S CB -1.236 61.994 63.200 0.050 0.000 0.833 234 S HN 0.102 nan 8.310 nan 0.000 0.466 235 F N 3.230 123.259 119.950 0.133 0.000 2.091 235 F HA -0.206 4.322 4.527 0.001 0.000 0.299 235 F C 1.855 177.832 175.800 0.295 0.000 1.103 235 F CA 1.468 59.594 58.000 0.210 0.000 1.228 235 F CB -0.242 38.714 39.000 -0.074 0.000 0.984 235 F HN 0.145 nan 8.300 nan 0.000 0.477 236 N N -0.697 118.299 118.700 0.492 0.000 2.463 236 N HA -0.047 4.694 4.740 0.001 0.000 0.181 236 N C 1.591 177.206 175.510 0.176 0.000 1.078 236 N CA 1.115 54.374 53.050 0.349 0.000 0.902 236 N CB -0.081 38.654 38.487 0.413 0.000 0.970 236 N HN 0.418 nan 8.380 nan 0.000 0.451 237 S N -1.683 114.113 115.700 0.160 0.000 2.559 237 S HA 0.365 4.836 4.470 0.001 0.000 0.226 237 S C 1.864 176.500 174.600 0.059 0.000 1.030 237 S CA 0.157 58.413 58.200 0.094 0.000 0.956 237 S CB 0.300 63.558 63.200 0.097 0.000 0.900 237 S HN 0.150 nan 8.310 nan 0.000 0.510 238 A N 3.241 126.117 122.820 0.095 0.000 1.892 238 A HA -0.003 4.317 4.320 0.001 0.000 0.218 238 A C 2.067 179.656 177.584 0.008 0.000 1.188 238 A CA 1.853 53.930 52.037 0.066 0.000 0.631 238 A CB -0.935 18.121 19.000 0.095 0.000 0.822 238 A HN 0.958 nan 8.150 nan 0.000 0.447 239 I N -3.342 117.216 120.570 -0.020 0.000 3.928 239 I HA 0.230 4.400 4.170 0.001 0.000 0.335 239 I C -0.011 175.811 176.117 -0.491 0.000 1.325 239 I CA -0.358 60.817 61.300 -0.207 0.000 1.107 239 I CB 0.137 38.055 38.000 -0.137 0.000 1.014 239 I HN -0.051 nan 8.210 nan 0.000 0.400 240 S N 1.179 116.709 115.700 -0.284 0.000 2.549 240 S HA 0.142 4.612 4.470 0.001 0.000 0.286 240 S C 0.412 174.838 174.600 -0.290 0.000 1.314 240 S CA -0.146 57.903 58.200 -0.252 0.000 1.062 240 S CB 0.449 63.630 63.200 -0.032 0.000 0.865 240 S HN 0.331 nan 8.310 nan 0.000 0.498 241 Y N 1.120 121.373 120.300 -0.078 0.000 2.190 241 Y HA 0.073 4.624 4.550 0.001 0.000 0.290 241 Y C 1.202 177.016 175.900 -0.144 0.000 1.115 241 Y CA 0.576 58.579 58.100 -0.162 0.000 1.107 241 Y CB -0.618 37.656 38.460 -0.310 0.000 1.033 241 Y HN 0.639 nan 8.280 nan 0.000 0.502 242 H N -0.347 118.836 119.070 0.189 0.000 2.790 242 H HA 0.116 4.672 4.556 0.001 0.000 0.358 242 H C 1.387 176.757 175.328 0.070 0.000 1.103 242 H CA 0.220 56.326 56.048 0.097 0.000 1.426 242 H CB 0.874 30.683 29.762 0.078 0.000 1.424 242 H HN 0.433 nan 8.280 nan 0.000 0.599 243 G N 1.736 110.637 108.800 0.169 0.000 2.432 243 G HA2 -0.307 3.654 3.960 0.001 0.000 0.219 243 G HA3 -0.307 3.654 3.960 0.001 0.000 0.219 243 G C 1.431 176.401 174.900 0.117 0.000 1.135 243 G CA 0.859 46.023 45.100 0.106 0.000 0.767 243 G HN 0.745 nan 8.290 nan 0.000 0.550 244 D N 1.264 121.733 120.400 0.115 0.000 2.092 244 D HA -0.173 4.468 4.640 0.001 0.000 0.193 244 D C 2.801 179.192 176.300 0.152 0.000 0.994 244 D CA 1.909 55.969 54.000 0.099 0.000 0.828 244 D CB -0.239 40.591 40.800 0.049 0.000 0.963 244 D HN 0.398 nan 8.370 nan 0.000 0.450 245 S N -0.250 115.552 115.700 0.170 0.000 2.406 245 S HA -0.168 4.303 4.470 0.001 0.000 0.228 245 S C 2.070 176.749 174.600 0.131 0.000 1.020 245 S CA 0.970 59.261 58.200 0.153 0.000 0.965 245 S CB -0.321 62.988 63.200 0.181 0.000 0.798 245 S HN 0.326 nan 8.310 nan 0.000 0.488 246 Q N 0.866 120.747 119.800 0.134 0.000 2.020 246 Q HA -0.237 4.104 4.340 0.001 0.000 0.202 246 Q C 2.272 178.353 176.000 0.135 0.000 0.982 246 Q CA 1.667 57.537 55.803 0.112 0.000 0.838 246 Q CB -0.415 28.383 28.738 0.101 0.000 0.899 246 Q HN 0.830 nan 8.270 nan 0.000 0.423 247 H N -0.010 119.089 119.070 0.048 0.000 2.353 247 H HA -0.175 4.381 4.556 0.001 0.000 0.298 247 H C 2.220 177.564 175.328 0.028 0.000 1.103 247 H CA 1.936 58.004 56.048 0.033 0.000 1.293 247 H CB 0.186 29.966 29.762 0.030 0.000 1.372 247 H HN 0.156 nan 8.280 nan 0.000 0.501 248 R N 0.066 120.610 120.500 0.074 0.000 2.073 248 R HA -0.051 4.290 4.340 0.001 0.000 0.229 248 R C 2.625 178.928 176.300 0.006 0.000 1.120 248 R CA 1.122 57.229 56.100 0.012 0.000 0.967 248 R CB -0.213 30.129 30.300 0.070 0.000 0.862 248 R HN 0.331 nan 8.270 nan 0.000 0.436 249 A N 0.706 123.553 122.820 0.045 0.000 1.883 249 A HA -0.176 4.145 4.320 0.001 0.000 0.217 249 A C 2.325 179.943 177.584 0.057 0.000 1.186 249 A CA 1.890 53.962 52.037 0.059 0.000 0.624 249 A CB -0.890 18.157 19.000 0.078 0.000 0.822 249 A HN 0.518 nan 8.150 nan 0.000 0.444 250 A N -0.203 122.638 122.820 0.035 0.000 1.877 250 A HA -0.064 4.256 4.320 0.001 0.000 0.216 250 A C 2.142 179.721 177.584 -0.010 0.000 1.186 250 A CA 1.584 53.639 52.037 0.031 0.000 0.620 250 A CB -0.589 18.413 19.000 0.002 0.000 0.822 250 A HN 0.503 nan 8.150 nan 0.000 0.443 251 I N -0.203 120.307 120.570 -0.100 0.000 2.353 251 I HA -0.195 3.976 4.170 0.001 0.000 0.248 251 I C 2.013 178.135 176.117 0.008 0.000 1.119 251 I CA 0.882 62.111 61.300 -0.119 0.000 1.417 251 I CB -0.457 37.402 38.000 -0.235 0.000 1.078 251 I HN 0.266 nan 8.210 nan 0.000 0.421 252 N N 0.546 119.245 118.700 -0.002 0.000 2.166 252 N HA -0.133 4.608 4.740 0.001 0.000 0.186 252 N C 1.847 177.363 175.510 0.011 0.000 1.019 252 N CA 1.646 54.702 53.050 0.010 0.000 0.856 252 N CB -0.427 38.061 38.487 0.001 0.000 0.993 252 N HN 0.300 nan 8.380 nan 0.000 0.426 253 T N 0.068 114.638 114.554 0.027 0.000 2.737 253 T HA -0.128 4.223 4.350 0.001 0.000 0.265 253 T C 1.713 176.373 174.700 -0.067 0.000 1.038 253 T CA 0.785 62.881 62.100 -0.008 0.000 1.144 253 T CB -0.469 68.454 68.868 0.091 0.000 0.866 253 T HN 0.320 nan 8.240 nan 0.000 0.434 254 Y N 1.139 121.345 120.300 -0.156 0.000 2.114 254 Y HA -0.287 4.263 4.550 0.001 0.000 0.282 254 Y C 2.557 178.346 175.900 -0.185 0.000 1.165 254 Y CA 1.165 59.137 58.100 -0.215 0.000 1.148 254 Y CB -0.696 37.690 38.460 -0.124 0.000 0.972 254 Y HN 0.218 nan 8.280 nan 0.000 0.504 255 C N -0.930 118.430 119.300 0.100 0.000 2.462 255 C HA -0.159 4.301 4.460 0.001 0.000 0.278 255 C C 3.139 178.094 174.990 -0.057 0.000 1.253 255 C CA 1.573 60.608 59.018 0.028 0.000 1.713 255 C CB -1.373 26.416 27.740 0.082 0.000 2.049 255 C HN 0.725 nan 8.230 nan 0.000 0.477 256 S N 0.267 115.921 115.700 -0.077 0.000 2.370 256 S HA -0.122 4.348 4.470 0.001 0.000 0.226 256 S C 1.758 176.267 174.600 -0.152 0.000 1.033 256 S CA 1.449 59.589 58.200 -0.099 0.000 1.011 256 S CB -0.339 62.789 63.200 -0.120 0.000 0.852 256 S HN 0.591 nan 8.310 nan 0.000 0.457 257 L N 0.895 121.950 121.223 -0.280 0.000 2.046 257 L HA -0.064 4.276 4.340 0.001 0.000 0.208 257 L C 2.941 179.804 176.870 -0.011 0.000 1.077 257 L CA 1.181 55.811 54.840 -0.351 0.000 0.747 257 L CB -0.683 40.791 42.059 -0.974 0.000 0.896 257 L HN 0.426 nan 8.230 nan 0.000 0.432 258 A N -0.014 122.767 122.820 -0.066 0.000 1.877 258 A HA -0.195 4.125 4.320 0.001 0.000 0.216 258 A C 2.503 180.130 177.584 0.072 0.000 1.186 258 A CA 1.841 53.937 52.037 0.099 0.000 0.620 258 A CB -0.742 18.216 19.000 -0.071 0.000 0.822 258 A HN 0.406 nan 8.150 nan 0.000 0.443 259 A N -1.438 121.400 122.820 0.029 0.000 1.930 259 A HA -0.161 4.160 4.320 0.001 0.000 0.217 259 A C 2.332 179.914 177.584 -0.004 0.000 1.175 259 A CA 1.507 53.570 52.037 0.044 0.000 0.627 259 A CB -1.361 17.697 19.000 0.097 0.000 0.815 259 A HN 0.678 nan 8.150 nan 0.000 0.443 260 C N -0.849 118.447 119.300 -0.007 0.000 2.413 260 C HA -0.089 4.372 4.460 0.001 0.000 0.277 260 C C 2.734 177.702 174.990 -0.038 0.000 1.265 260 C CA 1.404 60.399 59.018 -0.038 0.000 1.752 260 C CB -1.319 26.395 27.740 -0.043 0.000 1.998 260 C HN 0.441 nan 8.230 nan 0.000 0.489 261 V N 0.470 120.396 119.914 0.021 0.000 2.343 261 V HA -0.190 3.931 4.120 0.001 0.000 0.247 261 V C 2.327 178.363 176.094 -0.095 0.000 1.051 261 V CA 1.939 64.207 62.300 -0.052 0.000 1.036 261 V CB -0.624 31.147 31.823 -0.088 0.000 0.654 261 V HN 0.469 nan 8.190 nan 0.000 0.451 262 L N 0.550 121.723 121.223 -0.083 0.000 2.093 262 L HA -0.129 4.212 4.340 0.001 0.000 0.208 262 L C 2.761 179.536 176.870 -0.159 0.000 1.085 262 L CA 2.502 57.281 54.840 -0.103 0.000 0.755 262 L CB -0.989 41.029 42.059 -0.068 0.000 0.904 262 L HN 0.632 nan 8.230 nan 0.000 0.435 263 T N -5.639 108.778 114.554 -0.228 0.000 2.978 263 T HA -0.050 4.301 4.350 0.001 0.000 0.262 263 T C 2.058 176.628 174.700 -0.218 0.000 1.063 263 T CA 1.048 62.952 62.100 -0.326 0.000 1.140 263 T CB -0.352 68.166 68.868 -0.583 0.000 0.886 263 T HN 0.141 nan 8.240 nan 0.000 0.470 264 S N 1.283 116.884 115.700 -0.165 0.000 2.359 264 S HA -0.065 4.406 4.470 0.001 0.000 0.224 264 S C 2.193 176.723 174.600 -0.116 0.000 1.035 264 S CA 1.236 59.357 58.200 -0.132 0.000 1.018 264 S CB -0.681 62.455 63.200 -0.107 0.000 0.876 264 S HN 0.380 nan 8.310 nan 0.000 0.448 265 V N 1.995 121.841 119.914 -0.113 0.000 2.343 265 V HA -0.219 3.902 4.120 0.001 0.000 0.247 265 V C 2.639 178.683 176.094 -0.084 0.000 1.051 265 V CA 1.712 63.955 62.300 -0.095 0.000 1.036 265 V CB -1.228 30.532 31.823 -0.105 0.000 0.654 265 V HN 0.541 nan 8.190 nan 0.000 0.451 266 A N 0.173 122.932 122.820 -0.102 0.000 1.883 266 A HA -0.184 4.136 4.320 0.001 0.000 0.217 266 A C 2.102 179.643 177.584 -0.072 0.000 1.186 266 A CA 1.988 53.972 52.037 -0.088 0.000 0.624 266 A CB -0.490 18.439 19.000 -0.118 0.000 0.822 266 A HN 0.416 nan 8.150 nan 0.000 0.444 267 I N -0.383 120.130 120.570 -0.094 0.000 2.353 267 I HA -0.107 4.064 4.170 0.001 0.000 0.248 267 I C 2.658 178.739 176.117 -0.061 0.000 1.119 267 I CA 1.603 62.856 61.300 -0.078 0.000 1.417 267 I CB -1.516 36.421 38.000 -0.105 0.000 1.078 267 I HN 0.377 nan 8.210 nan 0.000 0.421 268 S N 0.327 115.994 115.700 -0.055 0.000 2.359 268 S HA -0.232 4.239 4.470 0.001 0.000 0.224 268 S C 2.405 177.052 174.600 0.079 0.000 1.035 268 S CA 2.307 60.555 58.200 0.080 0.000 1.018 268 S CB -0.246 63.063 63.200 0.182 0.000 0.876 268 S HN 0.484 nan 8.310 nan 0.000 0.448 269 S N 0.598 116.310 115.700 0.020 0.000 2.356 269 S HA -0.017 4.454 4.470 0.001 0.000 0.223 269 S C 2.108 176.739 174.600 0.051 0.000 1.032 269 S CA 1.475 59.685 58.200 0.017 0.000 1.005 269 S CB -0.802 62.386 63.200 -0.019 0.000 0.867 269 S HN 0.674 nan 8.310 nan 0.000 0.449 270 A N 1.134 123.971 122.820 0.028 0.000 1.940 270 A HA 0.055 4.376 4.320 0.001 0.000 0.219 270 A C 2.063 179.681 177.584 0.058 0.000 1.176 270 A CA 1.389 53.447 52.037 0.034 0.000 0.631 270 A CB -0.659 18.350 19.000 0.016 0.000 0.814 270 A HN 0.600 nan 8.150 nan 0.000 0.446 271 L N -1.078 120.184 121.223 0.064 0.000 2.558 271 L HA 0.061 4.402 4.340 0.001 0.000 0.225 271 L C 1.039 177.951 176.870 0.070 0.000 1.128 271 L CA -0.151 54.727 54.840 0.063 0.000 0.868 271 L CB -0.237 41.831 42.059 0.015 0.000 1.006 271 L HN 0.452 nan 8.230 nan 0.000 0.454 272 H N 0.937 120.013 119.070 0.010 0.000 2.473 272 H HA 0.141 4.698 4.556 0.001 0.000 0.327 272 H C 0.481 175.811 175.328 0.004 0.000 1.105 272 H CA -0.364 55.686 56.048 0.003 0.000 1.280 272 H CB 1.565 31.324 29.762 -0.004 0.000 1.450 272 H HN -0.108 nan 8.280 nan 0.000 0.492 273 K N 3.412 123.682 120.400 -0.218 0.000 2.147 273 K HA -0.106 4.215 4.320 0.001 0.000 0.205 273 K C 0.949 177.594 176.600 0.075 0.000 1.049 273 K CA 1.173 57.419 56.287 -0.067 0.000 0.936 273 K CB 0.188 32.608 32.500 -0.133 0.000 0.722 273 K HN 0.565 nan 8.250 nan 0.000 0.446 274 K N -0.700 119.873 120.400 0.289 0.000 2.372 274 K HA 0.126 4.447 4.320 0.001 0.000 0.200 274 K C 0.611 177.313 176.600 0.170 0.000 1.022 274 K CA 0.404 56.831 56.287 0.234 0.000 1.125 274 K CB 0.776 33.414 32.500 0.229 0.000 0.855 274 K HN 0.235 nan 8.250 nan 0.000 0.524 275 G N 2.303 111.227 108.800 0.206 0.000 2.155 275 G HA2 -0.316 3.644 3.960 0.001 0.000 0.257 275 G HA3 -0.316 3.644 3.960 0.001 0.000 0.257 275 G C -0.208 174.649 174.900 -0.071 0.000 0.983 275 G CA 0.252 45.390 45.100 0.063 0.000 0.676 275 G HN 0.260 nan 8.290 nan 0.000 0.528 276 K N -0.128 120.083 120.400 -0.315 0.000 2.185 276 K HA 0.582 4.903 4.320 0.001 0.000 0.271 276 K C 0.930 177.282 176.600 -0.414 0.000 1.013 276 K CA -0.554 55.438 56.287 -0.492 0.000 0.943 276 K CB 1.046 33.101 32.500 -0.742 0.000 0.998 276 K HN 0.218 nan 8.250 nan 0.000 0.468 277 L N 1.227 122.298 121.223 -0.255 0.000 2.418 277 L HA 0.189 4.530 4.340 0.001 0.000 0.265 277 L C 0.279 177.022 176.870 -0.211 0.000 1.143 277 L CA -0.298 54.438 54.840 -0.173 0.000 0.809 277 L CB 0.484 42.460 42.059 -0.139 0.000 1.124 277 L HN 0.599 nan 8.230 nan 0.000 0.456 278 D N 1.742 122.008 120.400 -0.224 0.000 2.502 278 D HA 0.186 4.827 4.640 0.001 0.000 0.249 278 D C 0.574 176.643 176.300 -0.385 0.000 1.092 278 D CA -0.517 53.267 54.000 -0.360 0.000 0.839 278 D CB 1.815 42.244 40.800 -0.619 0.000 1.264 278 D HN 0.402 nan 8.370 nan 0.000 0.511 279 M N 2.845 122.263 119.600 -0.303 0.000 2.358 279 M HA -0.101 4.380 4.480 0.001 0.000 0.264 279 M C 1.738 177.830 176.300 -0.347 0.000 1.064 279 M CA 0.731 55.869 55.300 -0.271 0.000 1.093 279 M CB -0.039 32.441 32.600 -0.200 0.000 1.401 279 M HN 0.345 nan 8.290 nan 0.000 0.440 280 V N -0.342 119.289 119.914 -0.470 0.000 2.343 280 V HA -0.302 3.818 4.120 0.001 0.000 0.247 280 V C 1.990 177.700 176.094 -0.641 0.000 1.051 280 V CA 1.895 63.835 62.300 -0.600 0.000 1.036 280 V CB -1.037 30.404 31.823 -0.636 0.000 0.654 280 V HN 0.525 nan 8.190 nan 0.000 0.451 281 H N -1.128 117.626 119.070 -0.527 0.000 2.363 281 H HA -0.079 4.478 4.556 0.001 0.000 0.301 281 H C 2.179 177.308 175.328 -0.331 0.000 1.074 281 H CA 1.267 57.034 56.048 -0.469 0.000 1.354 281 H CB 0.036 29.624 29.762 -0.291 0.000 1.397 281 H HN 0.303 nan 8.280 nan 0.000 0.516 282 I N 1.134 121.598 120.570 -0.176 0.000 2.493 282 I HA -0.194 3.976 4.170 0.001 0.000 0.254 282 I C 2.091 178.090 176.117 -0.196 0.000 1.160 282 I CA 1.306 62.496 61.300 -0.183 0.000 1.445 282 I CB -0.341 37.544 38.000 -0.191 0.000 1.086 282 I HN 0.260 nan 8.210 nan 0.000 0.433 283 Q N -0.419 119.251 119.800 -0.216 0.000 2.187 283 Q HA -0.036 4.305 4.340 0.001 0.000 0.199 283 Q C 1.637 177.556 176.000 -0.134 0.000 0.957 283 Q CA 1.003 56.702 55.803 -0.173 0.000 0.857 283 Q CB 0.106 28.730 28.738 -0.189 0.000 0.929 283 Q HN 0.563 nan 8.270 nan 0.000 0.453 284 N N -0.843 117.747 118.700 -0.183 0.000 2.612 284 N HA 0.115 4.856 4.740 0.001 0.000 0.224 284 N C 1.439 176.939 175.510 -0.016 0.000 1.051 284 N CA 0.761 53.762 53.050 -0.082 0.000 0.889 284 N CB 0.122 38.563 38.487 -0.077 0.000 1.449 284 N HN 0.049 nan 8.380 nan 0.000 0.442 285 A N 1.347 124.139 122.820 -0.047 0.000 2.015 285 A HA -0.081 4.240 4.320 0.001 0.000 0.219 285 A C 2.155 179.713 177.584 -0.042 0.000 1.163 285 A CA 1.867 53.918 52.037 0.023 0.000 0.646 285 A CB -0.957 18.047 19.000 0.007 0.000 0.806 285 A HN 0.457 nan 8.150 nan 0.000 0.448 286 T N -1.910 112.610 114.554 -0.057 0.000 3.051 286 T HA 0.045 4.396 4.350 0.001 0.000 0.269 286 T C 1.371 176.105 174.700 0.057 0.000 1.127 286 T CA 1.195 63.284 62.100 -0.019 0.000 1.107 286 T CB -0.368 68.447 68.868 -0.089 0.000 0.898 286 T HN 0.344 nan 8.240 nan 0.000 0.517 287 L N -0.149 121.045 121.223 -0.048 0.000 2.585 287 L HA 0.444 4.785 4.340 0.001 0.000 0.226 287 L C 2.925 179.507 176.870 -0.479 0.000 1.113 287 L CA 0.308 55.009 54.840 -0.231 0.000 0.876 287 L CB -0.375 41.611 42.059 -0.122 0.000 1.072 287 L HN 0.292 nan 8.230 nan 0.000 0.468 288 A N 0.724 123.374 122.820 -0.284 0.000 1.972 288 A HA -0.091 4.230 4.320 0.001 0.000 0.219 288 A C 2.343 179.736 177.584 -0.318 0.000 1.169 288 A CA 1.630 53.501 52.037 -0.277 0.000 0.635 288 A CB -0.887 18.027 19.000 -0.143 0.000 0.810 288 A HN 0.408 nan 8.150 nan 0.000 0.446 289 G N -0.626 107.990 108.800 -0.307 0.000 2.443 289 G HA2 0.067 4.028 3.960 0.001 0.000 0.219 289 G HA3 0.067 4.028 3.960 0.001 0.000 0.219 289 G C 1.420 176.060 174.900 -0.433 0.000 1.131 289 G CA 1.181 46.111 45.100 -0.285 0.000 0.775 289 G HN 0.652 nan 8.290 nan 0.000 0.547 290 G N 0.584 108.906 108.800 -0.798 0.000 2.404 290 G HA2 -0.128 3.833 3.960 0.001 0.000 0.215 290 G HA3 -0.128 3.833 3.960 0.001 0.000 0.215 290 G C 1.768 176.261 174.900 -0.679 0.000 1.174 290 G CA 1.169 45.528 45.100 -1.236 0.000 0.780 290 G HN 0.286 nan 8.290 nan 0.000 0.537 291 V N 1.712 121.246 119.914 -0.634 0.000 2.287 291 V HA -0.149 3.972 4.120 0.001 0.000 0.248 291 V C 3.317 179.351 176.094 -0.099 0.000 1.053 291 V CA 2.063 64.180 62.300 -0.305 0.000 1.027 291 V CB -0.918 30.660 31.823 -0.409 0.000 0.646 291 V HN 0.456 nan 8.190 nan 0.000 0.447 292 A N 0.212 122.951 122.820 -0.135 0.000 2.067 292 A HA -0.061 4.260 4.320 0.001 0.000 0.219 292 A C 2.044 179.617 177.584 -0.018 0.000 1.158 292 A CA 1.765 53.771 52.037 -0.052 0.000 0.661 292 A CB -0.450 18.509 19.000 -0.068 0.000 0.801 292 A HN 0.785 nan 8.150 nan 0.000 0.452 293 V N -3.398 116.498 119.914 -0.030 0.000 3.542 293 V HA 0.377 4.497 4.120 0.001 0.000 0.296 293 V C 1.739 177.884 176.094 0.084 0.000 1.364 293 V CA 0.507 62.813 62.300 0.010 0.000 1.118 293 V CB -0.741 31.070 31.823 -0.020 0.000 0.972 293 V HN 0.281 nan 8.190 nan 0.000 0.430 294 G N 1.908 110.798 108.800 0.151 0.000 2.529 294 G HA2 -0.269 3.692 3.960 0.001 0.000 0.219 294 G HA3 -0.269 3.692 3.960 0.001 0.000 0.219 294 G C 1.388 176.379 174.900 0.153 0.000 1.177 294 G CA 2.047 47.294 45.100 0.245 0.000 0.773 294 G HN 0.507 nan 8.290 nan 0.000 0.573 295 T N 1.177 115.800 114.554 0.115 0.000 2.809 295 T HA 0.206 4.556 4.350 0.001 0.000 0.260 295 T C 2.709 177.441 174.700 0.054 0.000 1.039 295 T CA 1.322 63.467 62.100 0.074 0.000 1.141 295 T CB -0.232 68.675 68.868 0.065 0.000 0.869 295 T HN 0.364 nan 8.240 nan 0.000 0.437 296 A N 1.023 123.870 122.820 0.044 0.000 2.123 296 A HA 0.533 4.853 4.320 0.001 0.000 0.214 296 A C 2.519 180.118 177.584 0.026 0.000 1.152 296 A CA 1.118 53.170 52.037 0.024 0.000 0.728 296 A CB -0.741 18.261 19.000 0.004 0.000 0.814 296 A HN 0.444 nan 8.150 nan 0.000 0.464 297 A N 1.403 124.248 122.820 0.042 0.000 1.917 297 A HA -0.239 4.081 4.320 0.001 0.000 0.219 297 A C 1.939 179.550 177.584 0.044 0.000 1.182 297 A CA 1.848 53.910 52.037 0.042 0.000 0.633 297 A CB -0.614 18.429 19.000 0.072 0.000 0.819 297 A HN 0.788 nan 8.150 nan 0.000 0.448 298 E N -0.918 119.316 120.200 0.056 0.000 2.274 298 E HA -0.065 4.285 4.350 0.001 0.000 0.194 298 E C 1.763 178.399 176.600 0.061 0.000 0.996 298 E CA 1.153 57.592 56.400 0.065 0.000 0.840 298 E CB -0.292 29.453 29.700 0.074 0.000 0.772 298 E HN 0.674 nan 8.360 nan 0.000 0.491 299 M N 0.174 119.801 119.600 0.044 0.000 2.486 299 M HA 0.186 4.667 4.480 0.001 0.000 0.264 299 M C 0.810 177.121 176.300 0.017 0.000 1.125 299 M CA 0.344 55.664 55.300 0.033 0.000 1.144 299 M CB 0.216 32.829 32.600 0.021 0.000 1.353 299 M HN 0.052 nan 8.290 nan 0.000 0.466 300 M N 1.721 121.324 119.600 0.005 0.000 2.194 300 M HA 0.089 4.569 4.480 0.001 0.000 0.347 300 M C 0.634 176.932 176.300 -0.004 0.000 1.439 300 M CA 0.061 55.351 55.300 -0.017 0.000 1.131 300 M CB 0.787 33.359 32.600 -0.047 0.000 1.733 300 M HN 0.291 nan 8.290 nan 0.000 0.467 301 L N 3.234 124.458 121.223 0.002 0.000 2.478 301 L HA 0.104 4.445 4.340 0.001 0.000 0.223 301 L C 0.405 177.293 176.870 0.030 0.000 1.140 301 L CA 0.671 55.524 54.840 0.022 0.000 0.842 301 L CB -0.209 41.866 42.059 0.027 0.000 0.953 301 L HN 0.712 nan 8.230 nan 0.000 0.452 302 M N -0.361 119.245 119.600 0.011 0.000 2.386 302 M HA 0.289 4.770 4.480 0.001 0.000 0.293 302 M C -1.815 174.481 176.300 -0.007 0.000 1.120 302 M CA -1.510 53.818 55.300 0.046 0.000 0.909 302 M CB 2.659 35.342 32.600 0.138 0.000 1.661 302 M HN -0.334 nan 8.290 nan 0.000 0.452 303 P HA -0.135 nan 4.420 nan 0.000 0.223 303 P C 1.114 178.428 177.300 0.025 0.000 1.151 303 P CA 1.312 64.429 63.100 0.028 0.000 0.787 303 P CB -0.304 31.433 31.700 0.062 0.000 0.788 304 Y N 0.473 120.778 120.300 0.009 0.000 2.274 304 Y HA 0.004 4.554 4.550 0.001 0.000 0.290 304 Y C 2.329 178.225 175.900 -0.006 0.000 1.145 304 Y CA 1.368 59.468 58.100 0.001 0.000 1.203 304 Y CB -1.785 36.670 38.460 -0.008 0.000 0.984 304 Y HN -0.129 nan 8.280 nan 0.000 0.533 305 G N 0.640 108.947 108.800 -0.821 0.000 2.422 305 G HA2 -0.207 3.753 3.960 0.001 0.000 0.218 305 G HA3 -0.207 3.753 3.960 0.001 0.000 0.218 305 G C 1.820 176.578 174.900 -0.237 0.000 1.146 305 G CA 1.080 45.818 45.100 -0.604 0.000 0.769 305 G HN 0.676 nan 8.290 nan 0.000 0.547 306 A N 0.607 123.335 122.820 -0.153 0.000 1.902 306 A HA 0.113 4.433 4.320 0.001 0.000 0.217 306 A C 2.422 179.986 177.584 -0.034 0.000 1.181 306 A CA 1.155 53.148 52.037 -0.073 0.000 0.623 306 A CB -0.379 18.595 19.000 -0.044 0.000 0.818 306 A HN 0.352 nan 8.150 nan 0.000 0.443 307 L N -0.538 120.683 121.223 -0.004 0.000 2.046 307 L HA -0.201 4.140 4.340 0.001 0.000 0.208 307 L C 2.483 179.401 176.870 0.080 0.000 1.077 307 L CA 1.332 56.203 54.840 0.053 0.000 0.747 307 L CB -0.559 41.552 42.059 0.088 0.000 0.896 307 L HN 0.392 nan 8.230 nan 0.000 0.432 308 I N -0.216 120.367 120.570 0.022 0.000 2.226 308 I HA -0.312 3.859 4.170 0.001 0.000 0.245 308 I C 2.435 178.588 176.117 0.060 0.000 1.100 308 I CA 1.475 62.782 61.300 0.012 0.000 1.374 308 I CB -0.200 37.770 38.000 -0.051 0.000 1.057 308 I HN 0.184 nan 8.210 nan 0.000 0.413 309 I N 0.751 121.326 120.570 0.008 0.000 2.179 309 I HA -0.220 3.951 4.170 0.001 0.000 0.242 309 I C 2.691 178.819 176.117 0.020 0.000 1.088 309 I CA 1.718 63.021 61.300 0.004 0.000 1.357 309 I CB -0.862 37.118 38.000 -0.034 0.000 1.051 309 I HN 0.248 nan 8.210 nan 0.000 0.409 310 G N 0.284 109.092 108.800 0.013 0.000 2.422 310 G HA2 -0.300 3.660 3.960 0.001 0.000 0.218 310 G HA3 -0.300 3.660 3.960 0.001 0.000 0.218 310 G C 1.650 176.582 174.900 0.053 0.000 1.146 310 G CA 0.494 45.592 45.100 -0.003 0.000 0.769 310 G HN 0.341 nan 8.290 nan 0.000 0.547 311 F N 1.022 120.951 119.950 -0.036 0.000 2.069 311 F HA -0.145 4.382 4.527 0.001 0.000 0.298 311 F C 2.743 178.528 175.800 -0.024 0.000 1.113 311 F CA 1.781 59.767 58.000 -0.022 0.000 1.214 311 F CB -0.167 38.828 39.000 -0.008 0.000 0.978 311 F HN 0.011 nan 8.300 nan 0.000 0.474 312 V N -0.828 119.275 119.914 0.315 0.000 2.358 312 V HA -0.325 3.796 4.120 0.001 0.000 0.246 312 V C 2.469 178.593 176.094 0.049 0.000 1.047 312 V CA 1.800 64.216 62.300 0.195 0.000 1.035 312 V CB -0.789 31.120 31.823 0.144 0.000 0.658 312 V HN 0.591 nan 8.190 nan 0.000 0.452 313 C N 0.616 119.926 119.300 0.016 0.000 2.450 313 C HA 0.059 4.520 4.460 0.001 0.000 0.279 313 C C 2.884 177.842 174.990 -0.053 0.000 1.335 313 C CA 0.445 59.448 59.018 -0.026 0.000 1.749 313 C CB -1.533 26.178 27.740 -0.049 0.000 1.963 313 C HN 0.676 nan 8.230 nan 0.000 0.501 314 G N 0.834 109.588 108.800 -0.077 0.000 2.418 314 G HA2 -0.176 3.784 3.960 0.001 0.000 0.217 314 G HA3 -0.176 3.784 3.960 0.001 0.000 0.217 314 G C 1.461 176.297 174.900 -0.107 0.000 1.158 314 G CA 0.801 45.839 45.100 -0.102 0.000 0.771 314 G HN 0.524 nan 8.290 nan 0.000 0.545 315 I N 0.349 120.848 120.570 -0.119 0.000 2.163 315 I HA -0.109 4.062 4.170 0.001 0.000 0.240 315 I C 2.675 178.765 176.117 -0.046 0.000 1.081 315 I CA 0.840 62.081 61.300 -0.097 0.000 1.353 315 I CB -0.195 37.756 38.000 -0.081 0.000 1.054 315 I HN 0.132 nan 8.210 nan 0.000 0.407 316 I N -0.220 120.335 120.570 -0.024 0.000 2.226 316 I HA -0.304 3.867 4.170 0.001 0.000 0.245 316 I C 2.787 178.896 176.117 -0.013 0.000 1.100 316 I CA 1.303 62.598 61.300 -0.009 0.000 1.374 316 I CB -0.319 37.681 38.000 -0.001 0.000 1.057 316 I HN 0.202 nan 8.210 nan 0.000 0.413 317 S N 0.150 115.840 115.700 -0.016 0.000 2.359 317 S HA -0.203 4.268 4.470 0.001 0.000 0.224 317 S C 2.074 176.726 174.600 0.087 0.000 1.035 317 S CA 2.344 60.551 58.200 0.011 0.000 1.018 317 S CB -0.317 62.904 63.200 0.035 0.000 0.876 317 S HN 0.440 nan 8.310 nan 0.000 0.448 318 T N 2.823 117.383 114.554 0.010 0.000 2.708 318 T HA 0.025 4.375 4.350 0.001 0.000 0.266 318 T C 1.787 176.422 174.700 -0.108 0.000 1.037 318 T CA 1.394 63.418 62.100 -0.127 0.000 1.146 318 T CB -0.465 68.235 68.868 -0.279 0.000 0.865 318 T HN 0.308 nan 8.240 nan 0.000 0.435 319 L N 0.816 122.022 121.223 -0.029 0.000 2.079 319 L HA -0.087 4.253 4.340 0.001 0.000 0.210 319 L C 2.976 179.898 176.870 0.087 0.000 1.081 319 L CA 1.412 56.299 54.840 0.079 0.000 0.752 319 L CB -1.037 41.089 42.059 0.112 0.000 0.896 319 L HN 0.377 nan 8.230 nan 0.000 0.433 320 G N -0.451 108.361 108.800 0.020 0.000 2.433 320 G HA2 -0.273 3.687 3.960 0.001 0.000 0.216 320 G HA3 -0.273 3.687 3.960 0.001 0.000 0.216 320 G C 1.408 176.266 174.900 -0.069 0.000 1.186 320 G CA 0.619 45.694 45.100 -0.041 0.000 0.779 320 G HN 0.214 nan 8.290 nan 0.000 0.543 321 F N 0.395 120.324 119.950 -0.036 0.000 2.095 321 F HA -0.129 4.399 4.527 0.001 0.000 0.298 321 F C 2.907 178.693 175.800 -0.024 0.000 1.104 321 F CA 1.158 59.154 58.000 -0.008 0.000 1.232 321 F CB -0.293 38.728 39.000 0.036 0.000 0.987 321 F HN -0.007 nan 8.300 nan 0.000 0.475 322 V N -1.916 118.026 119.914 0.046 0.000 2.323 322 V HA -0.255 3.866 4.120 0.001 0.000 0.244 322 V C 1.507 177.416 176.094 -0.309 0.000 1.041 322 V CA 1.767 63.943 62.300 -0.207 0.000 1.025 322 V CB -0.597 30.924 31.823 -0.504 0.000 0.656 322 V HN 0.285 nan 8.190 nan 0.000 0.451 323 Y N -2.030 118.303 120.300 0.055 0.000 2.559 323 Y HA 0.253 4.803 4.550 0.001 0.000 0.279 323 Y C 1.748 177.684 175.900 0.060 0.000 1.117 323 Y CA -0.064 58.060 58.100 0.041 0.000 1.263 323 Y CB -0.205 38.250 38.460 -0.007 0.000 1.230 323 Y HN 0.082 nan 8.280 nan 0.000 0.528 324 L N -0.406 120.927 121.223 0.183 0.000 2.068 324 L HA -0.051 4.290 4.340 0.001 0.000 0.204 324 L C 2.081 179.048 176.870 0.162 0.000 1.076 324 L CA 1.982 56.913 54.840 0.152 0.000 0.753 324 L CB -1.042 41.061 42.059 0.074 0.000 0.910 324 L HN 0.119 nan 8.230 nan 0.000 0.439 325 T N 0.960 115.561 114.554 0.078 0.000 2.635 325 T HA -0.128 4.222 4.350 0.001 0.000 0.267 325 T C -0.534 174.227 174.700 0.102 0.000 1.040 325 T CA 2.250 64.388 62.100 0.062 0.000 1.156 325 T CB -1.145 67.737 68.868 0.024 0.000 0.863 325 T HN 0.300 nan 8.240 nan 0.000 0.430 326 P HA -0.036 nan 4.420 nan 0.000 0.217 326 P C 1.288 178.662 177.300 0.124 0.000 1.150 326 P CA 0.773 63.940 63.100 0.113 0.000 0.832 326 P CB -0.186 31.584 31.700 0.117 0.000 0.787 327 F N 0.480 120.454 119.950 0.040 0.000 2.102 327 F HA -0.153 4.375 4.527 0.001 0.000 0.298 327 F C 2.010 177.803 175.800 -0.011 0.000 1.105 327 F CA 1.505 59.517 58.000 0.019 0.000 1.239 327 F CB -0.919 38.101 39.000 0.032 0.000 0.991 327 F HN -0.282 nan 8.300 nan 0.000 0.474 328 L N -0.001 121.262 121.223 0.067 0.000 2.131 328 L HA -0.196 4.145 4.340 0.001 0.000 0.210 328 L C 2.457 179.253 176.870 -0.124 0.000 1.092 328 L CA 1.835 56.646 54.840 -0.048 0.000 0.759 328 L CB -0.791 41.320 42.059 0.087 0.000 0.903 328 L HN 0.299 nan 8.230 nan 0.000 0.435 329 E N -0.157 120.012 120.200 -0.052 0.000 2.046 329 E HA -0.153 4.197 4.350 0.001 0.000 0.190 329 E C 2.242 178.776 176.600 -0.111 0.000 0.982 329 E CA 1.271 57.661 56.400 -0.017 0.000 0.800 329 E CB 0.195 29.930 29.700 0.059 0.000 0.756 329 E HN 0.314 nan 8.360 nan 0.000 0.449 330 S N 0.276 115.881 115.700 -0.157 0.000 2.343 330 S HA -0.057 4.413 4.470 0.001 0.000 0.219 330 S C 1.922 176.267 174.600 -0.424 0.000 1.033 330 S CA 0.903 58.980 58.200 -0.205 0.000 1.014 330 S CB -0.106 63.007 63.200 -0.146 0.000 0.915 330 S HN 0.222 nan 8.310 nan 0.000 0.435 331 R N -0.233 119.907 120.500 -0.600 0.000 2.189 331 R HA 0.269 4.610 4.340 0.001 0.000 0.203 331 R C 0.717 176.603 176.300 -0.691 0.000 1.012 331 R CA 0.513 56.209 56.100 -0.675 0.000 1.015 331 R CB -0.138 29.596 30.300 -0.943 0.000 0.938 331 R HN 0.284 nan 8.270 nan 0.000 0.472 332 L N -0.298 120.549 121.223 -0.628 0.000 2.858 332 L HA 0.207 4.547 4.340 0.001 0.000 0.251 332 L C -0.177 176.525 176.870 -0.280 0.000 1.149 332 L CA 0.244 54.857 54.840 -0.379 0.000 0.955 332 L CB -0.232 41.710 42.059 -0.194 0.000 1.289 332 L HN 0.224 nan 8.230 nan 0.000 0.542 333 H N -1.111 117.820 119.070 -0.232 0.000 2.839 333 H HA -0.129 4.427 4.556 0.001 0.000 0.298 333 H C 0.194 175.471 175.328 -0.084 0.000 1.224 333 H CA 0.483 56.329 56.048 -0.338 0.000 1.144 333 H CB -1.927 27.324 29.762 -0.852 0.000 1.372 333 H HN 0.227 nan 8.280 nan 0.000 0.408 334 I N 1.950 122.552 120.570 0.054 0.000 2.337 334 I HA 0.105 4.275 4.170 0.001 0.000 0.285 334 I C 0.473 176.670 176.117 0.134 0.000 1.041 334 I CA -0.025 61.336 61.300 0.101 0.000 1.199 334 I CB 1.070 39.108 38.000 0.063 0.000 1.370 334 I HN 0.034 nan 8.210 nan 0.000 0.470 335 Q N 4.999 124.912 119.800 0.189 0.000 2.377 335 Q HA 0.212 4.552 4.340 0.001 0.000 0.249 335 Q C -0.749 175.343 176.000 0.154 0.000 1.005 335 Q CA -0.354 55.556 55.803 0.180 0.000 0.912 335 Q CB 1.324 30.184 28.738 0.203 0.000 1.223 335 Q HN 0.364 nan 8.270 nan 0.000 0.459 336 D N 1.958 122.440 120.400 0.136 0.000 2.458 336 D HA 0.138 4.778 4.640 0.001 0.000 0.258 336 D C 0.410 176.803 176.300 0.154 0.000 1.134 336 D CA -0.364 53.710 54.000 0.123 0.000 0.915 336 D CB 1.011 41.856 40.800 0.075 0.000 1.028 336 D HN 0.341 nan 8.370 nan 0.000 0.508 337 T N 1.315 115.988 114.554 0.197 0.000 2.635 337 T HA -0.171 4.180 4.350 0.001 0.000 0.267 337 T C 1.614 176.479 174.700 0.275 0.000 1.040 337 T CA 1.236 63.481 62.100 0.243 0.000 1.156 337 T CB -0.102 68.941 68.868 0.292 0.000 0.863 337 T HN 0.553 nan 8.240 nan 0.000 0.430 338 C N 1.127 120.582 119.300 0.258 0.000 2.673 338 C HA 0.532 4.992 4.460 0.001 0.000 0.274 338 C C 1.875 177.020 174.990 0.258 0.000 1.276 338 C CA -0.726 58.445 59.018 0.254 0.000 1.701 338 C CB -1.389 26.518 27.740 0.278 0.000 1.836 338 C HN 0.856 nan 8.230 nan 0.000 0.596 339 G N 2.441 111.343 108.800 0.169 0.000 2.323 339 G HA2 -0.307 3.654 3.960 0.001 0.000 0.292 339 G HA3 -0.307 3.654 3.960 0.001 0.000 0.292 339 G C 0.619 175.454 174.900 -0.109 0.000 1.040 339 G CA 0.671 45.734 45.100 -0.061 0.000 0.942 339 G HN 0.832 nan 8.290 nan 0.000 0.506 340 I N -2.945 117.665 120.570 0.067 0.000 2.454 340 I HA -0.117 4.054 4.170 0.001 0.000 0.254 340 I C 2.044 178.173 176.117 0.021 0.000 1.156 340 I CA 1.815 63.218 61.300 0.171 0.000 1.433 340 I CB -0.277 37.880 38.000 0.262 0.000 1.082 340 I HN 0.186 nan 8.210 nan 0.000 0.432 341 N N 2.378 121.025 118.700 -0.089 0.000 2.205 341 N HA -0.201 4.540 4.740 0.001 0.000 0.186 341 N C 1.495 176.928 175.510 -0.127 0.000 1.015 341 N CA 1.771 54.746 53.050 -0.124 0.000 0.862 341 N CB -0.276 38.169 38.487 -0.070 0.000 0.986 341 N HN 0.479 nan 8.380 nan 0.000 0.429 342 N N -0.426 118.107 118.700 -0.278 0.000 2.416 342 N HA -0.046 4.695 4.740 0.001 0.000 0.177 342 N C 1.283 176.675 175.510 -0.196 0.000 1.036 342 N CA 0.375 53.215 53.050 -0.349 0.000 0.901 342 N CB 0.100 38.038 38.487 -0.915 0.000 0.976 342 N HN 0.288 nan 8.380 nan 0.000 0.444 343 L N 0.020 121.142 121.223 -0.168 0.000 2.347 343 L HA 0.193 4.534 4.340 0.001 0.000 0.196 343 L C 1.795 178.509 176.870 -0.260 0.000 1.072 343 L CA 1.525 56.237 54.840 -0.212 0.000 0.817 343 L CB -0.538 41.349 42.059 -0.285 0.000 1.029 343 L HN 0.043 nan 8.230 nan 0.000 0.478 344 H N -1.103 118.024 119.070 0.095 0.000 2.476 344 H HA 0.311 4.868 4.556 0.001 0.000 0.292 344 H C 1.815 177.218 175.328 0.124 0.000 1.019 344 H CA 0.861 57.013 56.048 0.174 0.000 1.330 344 H CB -0.165 29.773 29.762 0.294 0.000 1.451 344 H HN 0.444 nan 8.280 nan 0.000 0.535 345 G N 1.306 110.164 108.800 0.097 0.000 2.496 345 G HA2 -0.118 3.843 3.960 0.001 0.000 0.214 345 G HA3 -0.118 3.843 3.960 0.001 0.000 0.214 345 G C 1.796 176.869 174.900 0.289 0.000 1.234 345 G CA 0.484 45.595 45.100 0.018 0.000 0.807 345 G HN 0.190 nan 8.290 nan 0.000 0.543 346 I N 1.637 122.318 120.570 0.185 0.000 2.202 346 I HA -0.071 4.099 4.170 0.001 0.000 0.242 346 I C -0.336 175.843 176.117 0.104 0.000 1.091 346 I CA 0.906 62.299 61.300 0.156 0.000 1.368 346 I CB -0.625 37.426 38.000 0.085 0.000 1.058 346 I HN 0.170 nan 8.210 nan 0.000 0.410 347 P HA -0.094 nan 4.420 nan 0.000 0.220 347 P C 1.573 178.915 177.300 0.070 0.000 1.148 347 P CA 1.397 64.511 63.100 0.024 0.000 0.803 347 P CB -0.180 31.489 31.700 -0.051 0.000 0.782 348 G N -0.043 108.847 108.800 0.150 0.000 2.421 348 G HA2 -0.222 3.739 3.960 0.001 0.000 0.216 348 G HA3 -0.222 3.739 3.960 0.001 0.000 0.216 348 G C 1.514 176.534 174.900 0.200 0.000 1.171 348 G CA 0.494 45.732 45.100 0.231 0.000 0.775 348 G HN 0.227 nan 8.290 nan 0.000 0.543 349 I N 0.465 121.155 120.570 0.200 0.000 2.226 349 I HA -0.124 4.046 4.170 0.001 0.000 0.245 349 I C 2.681 178.851 176.117 0.089 0.000 1.100 349 I CA 0.719 62.103 61.300 0.140 0.000 1.374 349 I CB -0.206 37.866 38.000 0.120 0.000 1.057 349 I HN 0.147 nan 8.210 nan 0.000 0.413 350 I N 0.774 121.389 120.570 0.076 0.000 2.163 350 I HA -0.268 3.903 4.170 0.001 0.000 0.243 350 I C 2.693 178.835 176.117 0.043 0.000 1.085 350 I CA 1.816 63.144 61.300 0.046 0.000 1.347 350 I CB -0.932 37.087 38.000 0.031 0.000 1.044 350 I HN 0.281 nan 8.210 nan 0.000 0.408 351 G N 0.327 109.161 108.800 0.057 0.000 2.440 351 G HA2 -0.223 3.738 3.960 0.001 0.000 0.218 351 G HA3 -0.223 3.738 3.960 0.001 0.000 0.218 351 G C 1.708 176.647 174.900 0.065 0.000 1.154 351 G CA 0.909 46.045 45.100 0.061 0.000 0.767 351 G HN 0.518 nan 8.290 nan 0.000 0.552 352 G N 0.919 109.767 108.800 0.081 0.000 2.418 352 G HA2 -0.162 3.798 3.960 0.001 0.000 0.217 352 G HA3 -0.162 3.798 3.960 0.001 0.000 0.217 352 G C 1.783 176.704 174.900 0.036 0.000 1.158 352 G CA 0.835 45.974 45.100 0.066 0.000 0.771 352 G HN 0.451 nan 8.290 nan 0.000 0.545 353 I N 0.372 120.960 120.570 0.031 0.000 2.202 353 I HA -0.141 4.030 4.170 0.001 0.000 0.242 353 I C 2.749 178.867 176.117 0.002 0.000 1.091 353 I CA 0.517 61.824 61.300 0.012 0.000 1.368 353 I CB -0.219 37.788 38.000 0.011 0.000 1.058 353 I HN 0.022 nan 8.210 nan 0.000 0.410 354 V N 1.060 120.978 119.914 0.006 0.000 2.407 354 V HA -0.190 3.930 4.120 0.001 0.000 0.248 354 V C 2.599 178.690 176.094 -0.005 0.000 1.055 354 V CA 2.008 64.305 62.300 -0.005 0.000 1.049 354 V CB -1.454 30.364 31.823 -0.007 0.000 0.662 354 V HN 0.575 nan 8.190 nan 0.000 0.455 355 G N -0.138 108.666 108.800 0.007 0.000 2.440 355 G HA2 -0.234 3.726 3.960 0.001 0.000 0.218 355 G HA3 -0.234 3.726 3.960 0.001 0.000 0.218 355 G C 1.768 176.664 174.900 -0.008 0.000 1.154 355 G CA 1.149 46.253 45.100 0.007 0.000 0.767 355 G HN 0.605 nan 8.290 nan 0.000 0.552 356 A N 0.116 122.928 122.820 -0.014 0.000 1.858 356 A HA 0.069 4.390 4.320 0.001 0.000 0.216 356 A C 2.623 180.184 177.584 -0.038 0.000 1.190 356 A CA 1.920 53.937 52.037 -0.034 0.000 0.617 356 A CB -0.759 18.216 19.000 -0.042 0.000 0.827 356 A HN 0.271 nan 8.150 nan 0.000 0.443 357 V N 0.006 119.902 119.914 -0.030 0.000 2.343 357 V HA -0.237 3.883 4.120 0.001 0.000 0.247 357 V C 2.743 178.820 176.094 -0.029 0.000 1.051 357 V CA 2.499 64.781 62.300 -0.030 0.000 1.036 357 V CB -1.325 30.483 31.823 -0.024 0.000 0.654 357 V HN 0.631 nan 8.190 nan 0.000 0.451 358 T N 0.333 114.872 114.554 -0.025 0.000 2.777 358 T HA -0.105 4.245 4.350 0.001 0.000 0.266 358 T C 2.100 176.787 174.700 -0.021 0.000 1.040 358 T CA 1.432 63.518 62.100 -0.023 0.000 1.141 358 T CB -0.437 68.419 68.868 -0.020 0.000 0.868 358 T HN 0.563 nan 8.240 nan 0.000 0.444 359 A N 1.734 124.540 122.820 -0.024 0.000 1.883 359 A HA 0.065 4.386 4.320 0.001 0.000 0.217 359 A C 2.651 180.209 177.584 -0.043 0.000 1.186 359 A CA 1.948 53.966 52.037 -0.031 0.000 0.624 359 A CB -1.173 17.804 19.000 -0.038 0.000 0.822 359 A HN 0.521 nan 8.150 nan 0.000 0.444 360 A N -0.667 122.123 122.820 -0.050 0.000 2.015 360 A HA 0.155 4.476 4.320 0.001 0.000 0.219 360 A C 1.727 179.289 177.584 -0.037 0.000 1.163 360 A CA 1.229 53.232 52.037 -0.057 0.000 0.646 360 A CB -0.527 18.435 19.000 -0.063 0.000 0.806 360 A HN 0.437 nan 8.150 nan 0.000 0.448 385 W N 1.054 122.349 121.300 -0.009 0.000 2.363 385 W HA -0.066 4.595 4.660 0.001 0.000 0.296 385 W C 1.990 178.500 176.519 -0.016 0.000 1.212 385 W CA 2.914 60.254 57.345 -0.008 0.000 1.260 385 W CB -0.460 28.996 29.460 -0.006 0.000 1.131 385 W HN 0.279 nan 8.180 nan 0.000 0.530 386 T N -0.072 114.602 114.554 0.201 0.000 2.788 386 T HA -0.168 4.183 4.350 0.001 0.000 0.268 386 T C 1.871 176.469 174.700 -0.171 0.000 1.044 386 T CA 2.103 64.188 62.100 -0.025 0.000 1.139 386 T CB -0.529 68.412 68.868 0.121 0.000 0.867 386 T HN 0.203 nan 8.240 nan 0.000 0.454 387 A N 1.366 124.129 122.820 -0.094 0.000 1.873 387 A HA 0.007 4.327 4.320 0.001 0.000 0.215 387 A C 2.439 179.927 177.584 -0.161 0.000 1.186 387 A CA 1.406 53.383 52.037 -0.100 0.000 0.616 387 A CB -0.579 18.394 19.000 -0.045 0.000 0.823 387 A HN 0.554 nan 8.150 nan 0.000 0.442 388 R N -1.299 119.085 120.500 -0.193 0.000 2.083 388 R HA -0.135 4.205 4.340 0.001 0.000 0.237 388 R C 2.468 178.568 176.300 -0.332 0.000 1.137 388 R CA 1.885 57.847 56.100 -0.231 0.000 0.951 388 R CB -0.790 29.382 30.300 -0.214 0.000 0.851 388 R HN 0.559 nan 8.270 nan 0.000 0.434 389 T N 0.124 114.340 114.554 -0.563 0.000 2.821 389 T HA -0.190 4.160 4.350 0.001 0.000 0.267 389 T C 1.821 176.355 174.700 -0.276 0.000 1.046 389 T CA 1.472 63.250 62.100 -0.536 0.000 1.139 389 T CB -0.037 68.252 68.868 -0.965 0.000 0.871 389 T HN 0.139 nan 8.240 nan 0.000 0.454 390 Q N 0.590 120.227 119.800 -0.271 0.000 2.096 390 Q HA 0.029 4.369 4.340 0.001 0.000 0.204 390 Q C 2.321 178.257 176.000 -0.108 0.000 0.982 390 Q CA 2.306 58.010 55.803 -0.166 0.000 0.850 390 Q CB -1.168 27.486 28.738 -0.140 0.000 0.901 390 Q HN 0.566 nan 8.270 nan 0.000 0.422 391 G N 0.431 109.150 108.800 -0.135 0.000 2.440 391 G HA2 -0.264 3.697 3.960 0.001 0.000 0.218 391 G HA3 -0.264 3.697 3.960 0.001 0.000 0.218 391 G C 1.292 176.090 174.900 -0.170 0.000 1.154 391 G CA 1.054 46.081 45.100 -0.123 0.000 0.767 391 G HN 0.252 nan 8.290 nan 0.000 0.552 392 K N 0.251 120.509 120.400 -0.237 0.000 2.097 392 K HA 0.054 4.375 4.320 0.001 0.000 0.205 392 K C 2.053 178.165 176.600 -0.813 0.000 1.050 392 K CA 0.587 56.591 56.287 -0.471 0.000 0.938 392 K CB -0.722 31.494 32.500 -0.475 0.000 0.718 392 K HN 0.403 nan 8.250 nan 0.000 0.442 393 F N 2.293 121.873 119.950 -0.616 0.000 2.367 393 F HA -0.042 4.486 4.527 0.001 0.000 0.298 393 F C 2.459 178.135 175.800 -0.208 0.000 1.094 393 F CA 0.862 58.602 58.000 -0.434 0.000 1.409 393 F CB -0.084 38.787 39.000 -0.215 0.000 1.064 393 F HN 0.002 nan 8.300 nan 0.000 0.528 394 Q N 0.010 119.790 119.800 -0.034 0.000 2.096 394 Q HA -0.179 4.161 4.340 0.001 0.000 0.204 394 Q C 2.451 178.430 176.000 -0.035 0.000 0.982 394 Q CA 1.259 57.048 55.803 -0.023 0.000 0.850 394 Q CB -0.565 28.154 28.738 -0.032 0.000 0.901 394 Q HN 0.342 nan 8.270 nan 0.000 0.422 395 I N 0.086 120.597 120.570 -0.099 0.000 2.286 395 I HA -0.246 3.925 4.170 0.001 0.000 0.248 395 I C 2.185 178.333 176.117 0.050 0.000 1.115 395 I CA 1.185 62.455 61.300 -0.050 0.000 1.392 395 I CB -1.242 36.706 38.000 -0.085 0.000 1.065 395 I HN 0.147 nan 8.210 nan 0.000 0.418 396 Y N 1.316 121.538 120.300 -0.129 0.000 2.165 396 Y HA -0.119 4.431 4.550 0.001 0.000 0.286 396 Y C 2.782 178.623 175.900 -0.098 0.000 1.155 396 Y CA 0.817 58.813 58.100 -0.174 0.000 1.164 396 Y CB -1.707 36.536 38.460 -0.361 0.000 0.978 396 Y HN 0.157 nan 8.280 nan 0.000 0.513 397 G N -0.089 108.768 108.800 0.095 0.000 2.442 397 G HA2 -0.251 3.709 3.960 0.001 0.000 0.219 397 G HA3 -0.251 3.709 3.960 0.001 0.000 0.219 397 G C 1.779 176.704 174.900 0.041 0.000 1.141 397 G CA 1.017 46.145 45.100 0.046 0.000 0.763 397 G HN 0.361 nan 8.290 nan 0.000 0.554 398 L N 0.444 121.697 121.223 0.049 0.000 2.017 398 L HA 0.098 4.438 4.340 0.001 0.000 0.208 398 L C 2.704 179.606 176.870 0.053 0.000 1.073 398 L CA 1.405 56.279 54.840 0.057 0.000 0.745 398 L CB -0.509 41.579 42.059 0.049 0.000 0.894 398 L HN 0.222 nan 8.230 nan 0.000 0.432 399 L N -1.924 119.326 121.223 0.045 0.000 2.093 399 L HA -0.164 4.177 4.340 0.001 0.000 0.208 399 L C 2.410 179.294 176.870 0.023 0.000 1.085 399 L CA 0.744 55.599 54.840 0.025 0.000 0.755 399 L CB -0.599 41.469 42.059 0.016 0.000 0.904 399 L HN 0.097 nan 8.230 nan 0.000 0.435 400 V N -0.493 119.434 119.914 0.022 0.000 2.343 400 V HA -0.270 3.850 4.120 0.001 0.000 0.247 400 V C 2.566 178.693 176.094 0.056 0.000 1.051 400 V CA 2.297 64.608 62.300 0.018 0.000 1.036 400 V CB -0.678 31.142 31.823 -0.004 0.000 0.654 400 V HN 0.476 nan 8.190 nan 0.000 0.451 401 T N 0.535 115.132 114.554 0.072 0.000 2.684 401 T HA -0.175 4.175 4.350 0.001 0.000 0.267 401 T C 1.885 176.720 174.700 0.225 0.000 1.036 401 T CA 1.664 63.854 62.100 0.151 0.000 1.148 401 T CB -0.327 68.634 68.868 0.154 0.000 0.863 401 T HN 0.301 nan 8.240 nan 0.000 0.436 402 L N 0.615 121.923 121.223 0.141 0.000 2.046 402 L HA -0.089 4.251 4.340 0.001 0.000 0.208 402 L C 3.032 179.965 176.870 0.104 0.000 1.077 402 L CA 1.190 56.091 54.840 0.103 0.000 0.747 402 L CB -0.657 41.401 42.059 -0.002 0.000 0.896 402 L HN 0.251 nan 8.230 nan 0.000 0.432 403 A N -0.355 122.516 122.820 0.086 0.000 1.902 403 A HA -0.201 4.119 4.320 0.001 0.000 0.217 403 A C 2.328 179.988 177.584 0.127 0.000 1.181 403 A CA 1.478 53.562 52.037 0.077 0.000 0.623 403 A CB -0.357 18.670 19.000 0.045 0.000 0.818 403 A HN 0.260 nan 8.150 nan 0.000 0.443 404 M N -0.411 119.292 119.600 0.172 0.000 2.117 404 M HA -0.121 4.359 4.480 0.001 0.000 0.262 404 M C 2.534 179.050 176.300 0.360 0.000 1.065 404 M CA 1.595 57.044 55.300 0.249 0.000 1.114 404 M CB -1.385 31.364 32.600 0.248 0.000 1.361 404 M HN 0.499 nan 8.290 nan 0.000 0.408 405 A N 0.343 123.380 122.820 0.360 0.000 1.902 405 A HA -0.163 4.158 4.320 0.001 0.000 0.217 405 A C 2.201 179.918 177.584 0.223 0.000 1.181 405 A CA 1.414 53.609 52.037 0.263 0.000 0.623 405 A CB -0.868 18.245 19.000 0.189 0.000 0.818 405 A HN 0.410 nan 8.150 nan 0.000 0.443 406 L N -0.495 120.825 121.223 0.162 0.000 1.988 406 L HA -0.103 4.237 4.340 0.001 0.000 0.207 406 L C 2.541 179.466 176.870 0.092 0.000 1.071 406 L CA 2.250 57.149 54.840 0.099 0.000 0.744 406 L CB -0.631 41.468 42.059 0.067 0.000 0.893 406 L HN 0.443 nan 8.230 nan 0.000 0.433 407 M N -0.892 118.776 119.600 0.114 0.000 2.086 407 M HA -0.123 4.357 4.480 0.001 0.000 0.261 407 M C 2.184 178.564 176.300 0.134 0.000 1.067 407 M CA 1.825 57.187 55.300 0.103 0.000 1.116 407 M CB -1.198 31.463 32.600 0.101 0.000 1.348 407 M HN 0.482 nan 8.290 nan 0.000 0.407 408 G N -0.107 108.830 108.800 0.228 0.000 2.440 408 G HA2 -0.163 3.798 3.960 0.001 0.000 0.218 408 G HA3 -0.163 3.798 3.960 0.001 0.000 0.218 408 G C 1.499 176.581 174.900 0.303 0.000 1.154 408 G CA 1.052 46.356 45.100 0.339 0.000 0.767 408 G HN 0.577 nan 8.290 nan 0.000 0.552 409 G N 0.763 109.635 108.800 0.119 0.000 2.422 409 G HA2 -0.107 3.854 3.960 0.001 0.000 0.218 409 G HA3 -0.107 3.854 3.960 0.001 0.000 0.218 409 G C 1.757 176.544 174.900 -0.188 0.000 1.140 409 G CA 0.691 45.582 45.100 -0.349 0.000 0.775 409 G HN 0.450 nan 8.290 nan 0.000 0.545 410 I N 0.475 121.010 120.570 -0.059 0.000 2.202 410 I HA -0.123 4.048 4.170 0.001 0.000 0.242 410 I C 2.662 178.755 176.117 -0.040 0.000 1.091 410 I CA 0.806 62.082 61.300 -0.041 0.000 1.368 410 I CB -0.177 37.819 38.000 -0.006 0.000 1.058 410 I HN 0.143 nan 8.210 nan 0.000 0.410 411 I N 0.043 120.601 120.570 -0.020 0.000 2.142 411 I HA -0.271 3.899 4.170 0.001 0.000 0.240 411 I C 2.514 178.566 176.117 -0.108 0.000 1.078 411 I CA 1.384 62.657 61.300 -0.045 0.000 1.343 411 I CB -0.420 37.564 38.000 -0.027 0.000 1.046 411 I HN 0.031 nan 8.210 nan 0.000 0.405 412 V N 1.075 120.927 119.914 -0.102 0.000 2.358 412 V HA -0.178 3.943 4.120 0.001 0.000 0.246 412 V C 2.634 178.674 176.094 -0.090 0.000 1.047 412 V CA 2.033 64.259 62.300 -0.123 0.000 1.035 412 V CB -1.495 30.381 31.823 0.089 0.000 0.658 412 V HN 0.579 nan 8.190 nan 0.000 0.452 413 G N 0.228 108.957 108.800 -0.119 0.000 2.491 413 G HA2 -0.270 3.691 3.960 0.001 0.000 0.218 413 G HA3 -0.270 3.691 3.960 0.001 0.000 0.218 413 G C 1.592 176.475 174.900 -0.028 0.000 1.180 413 G CA 1.273 46.323 45.100 -0.084 0.000 0.774 413 G HN 0.474 nan 8.290 nan 0.000 0.562 414 L N -0.026 121.180 121.223 -0.029 0.000 2.083 414 L HA -0.005 4.336 4.340 0.001 0.000 0.209 414 L C 2.855 179.746 176.870 0.034 0.000 1.083 414 L CA 0.559 55.396 54.840 -0.005 0.000 0.752 414 L CB -0.306 41.747 42.059 -0.011 0.000 0.899 414 L HN 0.226 nan 8.230 nan 0.000 0.433 415 I N -0.457 120.137 120.570 0.041 0.000 2.202 415 I HA -0.292 3.879 4.170 0.001 0.000 0.242 415 I C 2.313 178.619 176.117 0.316 0.000 1.091 415 I CA 1.259 62.649 61.300 0.150 0.000 1.368 415 I CB -0.197 37.833 38.000 0.051 0.000 1.058 415 I HN 0.190 nan 8.210 nan 0.000 0.410 416 L N 0.210 121.533 121.223 0.168 0.000 2.201 416 L HA -0.157 4.184 4.340 0.001 0.000 0.212 416 L C 2.611 179.644 176.870 0.273 0.000 1.105 416 L CA 0.958 55.915 54.840 0.194 0.000 0.775 416 L CB -0.518 41.566 42.059 0.042 0.000 0.913 416 L HN 0.232 nan 8.230 nan 0.000 0.440 417 R N 0.429 121.005 120.500 0.127 0.000 2.235 417 R HA -0.001 4.339 4.340 0.001 0.000 0.213 417 R C 0.721 176.971 176.300 -0.084 0.000 1.059 417 R CA 0.087 56.202 56.100 0.024 0.000 0.997 417 R CB -0.041 30.251 30.300 -0.015 0.000 0.884 417 R HN 0.209 nan 8.270 nan 0.000 0.462 418 L N 2.787 123.945 121.223 -0.109 0.000 2.525 418 L HA 0.060 4.401 4.340 0.001 0.000 0.278 418 L C -1.466 174.917 176.870 -0.813 0.000 1.218 418 L CA -1.118 53.387 54.840 -0.559 0.000 0.878 418 L CB 0.538 42.195 42.059 -0.671 0.000 1.127 418 L HN 0.070 nan 8.230 nan 0.000 0.492 419 P HA -0.027 nan 4.420 nan 0.000 0.258 419 P C 0.512 177.466 177.300 -0.577 0.000 1.403 419 P CA 0.464 63.188 63.100 -0.627 0.000 0.826 419 P CB -0.005 31.420 31.700 -0.459 0.000 1.414 420 F N -2.662 116.831 119.950 -0.761 0.000 2.754 420 F HA 0.228 4.756 4.527 0.001 0.000 0.297 420 F C 1.496 176.987 175.800 -0.515 0.000 1.122 420 F CA -0.408 57.119 58.000 -0.789 0.000 1.400 420 F CB -1.050 37.213 39.000 -1.228 0.000 1.117 420 F HN 0.008 nan 8.300 nan 0.000 0.587 421 W N -0.374 120.989 121.300 0.105 0.000 3.278 421 W HA 0.459 5.119 4.660 0.001 0.000 0.308 421 W C 1.546 178.093 176.519 0.047 0.000 1.253 421 W CA 0.207 57.588 57.345 0.060 0.000 1.759 421 W CB -0.000 29.473 29.460 0.022 0.000 1.093 421 W HN 0.091 nan 8.180 nan 0.000 0.648 422 G N 1.598 110.521 108.800 0.205 0.000 2.147 422 G HA2 -0.309 3.651 3.960 0.001 0.000 0.244 422 G HA3 -0.309 3.651 3.960 0.001 0.000 0.244 422 G C 0.547 175.607 174.900 0.266 0.000 1.005 422 G CA 0.003 45.227 45.100 0.207 0.000 0.713 422 G HN 0.326 nan 8.290 nan 0.000 0.515 423 Q N 0.334 120.258 119.800 0.207 0.000 2.386 423 Q HA 0.349 4.690 4.340 0.001 0.000 0.282 423 Q C -2.094 173.979 176.000 0.122 0.000 1.050 423 Q CA -0.668 55.251 55.803 0.192 0.000 0.918 423 Q CB 0.752 29.555 28.738 0.108 0.000 1.266 423 Q HN 0.384 nan 8.270 nan 0.000 0.423 424 P HA 0.054 nan 4.420 nan 0.000 0.278 424 P C -0.401 176.880 177.300 -0.033 0.000 1.266 424 P CA -0.395 62.722 63.100 0.028 0.000 0.807 424 P CB 0.812 32.517 31.700 0.008 0.000 1.094 425 S N -0.446 115.246 115.700 -0.013 0.000 2.624 425 S HA 0.102 4.573 4.470 0.001 0.000 0.263 425 S C 0.798 175.375 174.600 -0.038 0.000 1.287 425 S CA -0.174 58.008 58.200 -0.030 0.000 0.990 425 S CB -0.125 63.171 63.200 0.160 0.000 0.950 425 S HN 0.303 nan 8.310 nan 0.000 0.561 426 D N 0.735 121.110 120.400 -0.042 0.000 2.263 426 D HA -0.085 4.555 4.640 0.001 0.000 0.208 426 D C 1.735 178.027 176.300 -0.013 0.000 0.971 426 D CA 1.516 55.485 54.000 -0.051 0.000 0.867 426 D CB -0.160 40.608 40.800 -0.053 0.000 0.929 426 D HN 0.919 nan 8.370 nan 0.000 0.492 427 E N -0.748 119.470 120.200 0.030 0.000 2.474 427 E HA 0.035 4.385 4.350 0.001 0.000 0.195 427 E C 0.485 177.106 176.600 0.035 0.000 1.039 427 E CA 0.063 56.489 56.400 0.043 0.000 0.881 427 E CB 0.117 29.853 29.700 0.060 0.000 0.970 427 E HN -0.003 nan 8.360 nan 0.000 0.486 428 N N 0.758 119.464 118.700 0.009 0.000 2.338 428 N HA 0.155 4.895 4.740 0.001 0.000 0.251 428 N C -0.856 174.614 175.510 -0.066 0.000 1.199 428 N CA -0.212 52.837 53.050 -0.003 0.000 0.879 428 N CB 0.552 39.047 38.487 0.013 0.000 1.159 428 N HN 0.124 nan 8.380 nan 0.000 0.514 429 C N 0.080 119.283 119.300 -0.161 0.000 2.443 429 C HA 0.333 4.794 4.460 0.001 0.000 0.369 429 C C 0.900 175.646 174.990 -0.407 0.000 1.241 429 C CA -0.211 58.522 59.018 -0.475 0.000 2.413 429 C CB -0.972 26.242 27.740 -0.877 0.000 2.451 429 C HN 0.594 nan 8.230 nan 0.000 0.595 430 F N -0.132 119.648 119.950 -0.283 0.000 3.074 430 F HA -0.141 4.387 4.527 0.001 0.000 0.289 430 F C 0.220 176.010 175.800 -0.017 0.000 0.863 430 F CA 0.976 58.747 58.000 -0.382 0.000 1.121 430 F CB -1.889 36.969 39.000 -0.236 0.000 1.169 430 F HN 0.650 nan 8.300 nan 0.000 0.570 431 E N 0.524 120.862 120.200 0.231 0.000 2.235 431 E HA 0.353 4.703 4.350 0.001 0.000 0.252 431 E C 0.619 177.427 176.600 0.346 0.000 0.886 431 E CA -0.419 56.131 56.400 0.251 0.000 0.767 431 E CB 0.814 30.582 29.700 0.114 0.000 1.205 431 E HN 0.070 nan 8.360 nan 0.000 0.421 432 D N 3.590 124.134 120.400 0.240 0.000 2.182 432 D HA -0.159 4.482 4.640 0.001 0.000 0.201 432 D C 1.417 177.880 176.300 0.272 0.000 0.986 432 D CA 1.464 55.562 54.000 0.162 0.000 0.847 432 D CB 0.099 40.747 40.800 -0.254 0.000 0.942 432 D HN 0.596 nan 8.370 nan 0.000 0.467 433 A N 0.559 123.458 122.820 0.132 0.000 2.076 433 A HA -0.156 4.164 4.320 0.001 0.000 0.220 433 A C 2.469 180.109 177.584 0.094 0.000 1.160 433 A CA 0.971 53.080 52.037 0.121 0.000 0.653 433 A CB -0.561 18.475 19.000 0.059 0.000 0.801 433 A HN 0.166 nan 8.150 nan 0.000 0.455 434 V N -2.110 117.814 119.914 0.017 0.000 2.407 434 V HA -0.238 3.883 4.120 0.001 0.000 0.248 434 V C 1.909 177.824 176.094 -0.298 0.000 1.055 434 V CA 1.933 64.098 62.300 -0.224 0.000 1.049 434 V CB -0.832 30.709 31.823 -0.470 0.000 0.662 434 V HN 0.722 nan 8.190 nan 0.000 0.455 435 Y N -3.751 116.706 120.300 0.261 0.000 2.453 435 Y HA 0.325 4.876 4.550 0.001 0.000 0.247 435 Y C 0.272 176.133 175.900 -0.065 0.000 1.124 435 Y CA -1.402 56.771 58.100 0.122 0.000 1.243 435 Y CB 0.251 38.850 38.460 0.233 0.000 1.213 435 Y HN 0.223 nan 8.280 nan 0.000 0.523 436 W N 0.621 122.072 121.300 0.253 0.000 2.819 436 W HA 0.505 5.165 4.660 0.001 0.000 0.337 436 W C -0.283 176.334 176.519 0.164 0.000 1.077 436 W CA -1.285 56.195 57.345 0.226 0.000 1.226 436 W CB 0.925 30.568 29.460 0.305 0.000 1.419 436 W HN -0.331 nan 8.180 nan 0.000 0.502 437 E N 2.634 123.058 120.200 0.372 0.000 2.351 437 E HA 0.107 4.457 4.350 0.001 0.000 0.266 437 E C -0.290 176.496 176.600 0.311 0.000 1.031 437 E CA 0.167 56.726 56.400 0.265 0.000 0.911 437 E CB 0.383 30.202 29.700 0.197 0.000 0.986 437 E HN 0.149 nan 8.360 nan 0.000 0.446 438 M N 5.625 125.353 119.600 0.214 0.000 2.274 438 M HA 0.319 4.799 4.480 0.001 0.000 0.344 438 M C -1.931 174.464 176.300 0.158 0.000 1.161 438 M CA -2.866 52.538 55.300 0.173 0.000 1.126 438 M CB 0.072 32.715 32.600 0.073 0.000 1.522 438 M HN 0.361 nan 8.290 nan 0.000 0.461 439 P HA -0.012 nan 4.420 nan 0.000 0.263 439 P C 0.321 177.677 177.300 0.093 0.000 1.175 439 P CA 0.321 63.507 63.100 0.143 0.000 0.761 439 P CB 0.410 32.197 31.700 0.145 0.000 0.794 440 E N 1.871 122.120 120.200 0.082 0.000 2.150 440 E HA -0.109 4.242 4.350 0.001 0.000 0.193 440 E C 2.111 178.742 176.600 0.051 0.000 0.985 440 E CA 1.171 57.609 56.400 0.062 0.000 0.814 440 E CB -0.380 29.353 29.700 0.056 0.000 0.752 440 E HN 0.662 nan 8.360 nan 0.000 0.466 441 G N 0.978 109.810 108.800 0.054 0.000 2.470 441 G HA2 -0.246 3.714 3.960 0.001 0.000 0.220 441 G HA3 -0.246 3.714 3.960 0.001 0.000 0.220 441 G C 1.236 176.160 174.900 0.040 0.000 1.121 441 G CA 0.754 45.881 45.100 0.045 0.000 0.766 441 G HN 0.196 nan 8.290 nan 0.000 0.553 442 N N -0.592 118.133 118.700 0.042 0.000 2.258 442 N HA 0.089 4.830 4.740 0.001 0.000 0.183 442 N C 1.192 176.719 175.510 0.028 0.000 1.029 442 N CA 0.851 53.919 53.050 0.031 0.000 0.857 442 N CB 0.266 38.767 38.487 0.023 0.000 1.008 442 N HN 0.383 nan 8.380 nan 0.000 0.433 443 S N 0.000 115.720 115.700 0.034 0.000 2.498 443 S HA 0.000 4.471 4.470 0.001 0.000 0.327 443 S CA 0.000 58.219 58.200 0.032 0.000 1.107 443 S CB 0.000 63.220 63.200 0.034 0.000 0.593 443 S HN 0.000 nan 8.310 nan 0.000 0.517