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 2bmc_1_F DATA FIRST_RESID 126 DATA SEQUENCE RQWALEDFEI GRPLGKGKFG NVYLAREKQS KFILALKVLF KAQLEKAGVE DATA SEQUENCE HQLRREVEIQ SHLRHPNILR LYGYFHDATR VYLILEYAPL GTVYRELQKL DATA SEQUENCE SKFDEQRTAT YITELANALS YCHSKRVIHR DIKPENLLLG SAGELKIADF DATA SEQUENCE GWSVXXXXXX XXXXXXTLDY LPPEMIEGRM HDEKVDLWSL GVLCYEFLVG DATA SEQUENCE KPPFEANTYQ ETYKRISRVE FTFPDFVTEG ARDLISRLLK HNPSQRPMLR DATA SEQUENCE EVLEHPWITA NSSKPSNCQ 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 126 R HA 0.000 nan 4.340 nan 0.000 0.208 126 R C 0.000 176.092 176.300 -0.347 0.000 0.893 126 R CA 0.000 55.925 56.100 -0.291 0.000 0.921 126 R CB 0.000 30.111 30.300 -0.315 0.000 0.687 127 Q N 3.067 122.660 119.800 -0.346 0.000 2.325 127 Q HA 0.425 4.764 4.340 -0.001 0.000 0.262 127 Q C -0.820 174.945 176.000 -0.392 0.000 0.968 127 Q CA -0.724 54.927 55.803 -0.254 0.000 0.877 127 Q CB 1.553 30.213 28.738 -0.131 0.000 1.253 127 Q HN 0.386 nan 8.270 nan 0.000 0.448 128 W N 1.582 122.707 121.300 -0.292 0.000 2.213 128 W HA 0.653 5.313 4.660 -0.001 0.000 0.356 128 W C -0.118 175.871 176.519 -0.883 0.000 1.273 128 W CA -0.353 56.645 57.345 -0.579 0.000 1.391 128 W CB 1.148 30.222 29.460 -0.643 0.000 1.187 128 W HN 0.809 nan 8.180 nan 0.000 0.649 129 A N 0.407 122.807 122.820 -0.699 0.000 2.589 129 A HA 0.397 4.717 4.320 -0.001 0.000 0.296 129 A C -0.009 177.343 177.584 -0.386 0.000 1.062 129 A CA -0.745 50.949 52.037 -0.571 0.000 0.686 129 A CB 0.781 19.611 19.000 -0.283 0.000 1.282 129 A HN 0.749 nan 8.150 nan 0.000 0.404 130 L N 0.244 121.409 121.223 -0.098 0.000 2.189 130 L HA -0.207 4.132 4.340 -0.001 0.000 0.214 130 L C 1.978 178.863 176.870 0.026 0.000 1.097 130 L CA 1.623 56.526 54.840 0.105 0.000 0.764 130 L CB -0.199 41.886 42.059 0.045 0.000 0.900 130 L HN 0.922 nan 8.230 nan 0.000 0.436 131 E N -0.254 119.898 120.200 -0.081 0.000 2.333 131 E HA -0.189 4.161 4.350 -0.001 0.000 0.198 131 E C 1.509 178.006 176.600 -0.172 0.000 1.007 131 E CA 0.706 57.049 56.400 -0.094 0.000 0.845 131 E CB -0.199 29.443 29.700 -0.097 0.000 0.766 131 E HN 0.380 nan 8.360 nan 0.000 0.507 132 D N -0.779 119.410 120.400 -0.352 0.000 2.347 132 D HA -0.027 4.613 4.640 -0.001 0.000 0.215 132 D C -0.296 175.613 176.300 -0.651 0.000 0.976 132 D CA 0.588 54.253 54.000 -0.559 0.000 0.884 132 D CB 0.171 40.492 40.800 -0.797 0.000 0.915 132 D HN 0.109 nan 8.370 nan 0.000 0.526 133 F N 0.359 120.335 119.950 0.043 0.000 2.561 133 F HA 0.326 4.853 4.527 -0.001 0.000 0.321 133 F C 0.683 176.493 175.800 0.018 0.000 1.065 133 F CA -1.112 56.914 58.000 0.043 0.000 0.934 133 F CB 1.267 40.300 39.000 0.054 0.000 1.215 133 F HN -0.427 nan 8.300 nan 0.000 0.471 134 E N 2.774 123.107 120.200 0.221 0.000 2.035 134 E HA 0.341 4.691 4.350 -0.001 0.000 0.271 134 E C -0.600 176.059 176.600 0.099 0.000 0.953 134 E CA -0.160 56.307 56.400 0.112 0.000 0.777 134 E CB 1.149 30.893 29.700 0.074 0.000 1.104 134 E HN 0.485 nan 8.360 nan 0.000 0.408 135 I N 2.617 123.231 120.570 0.072 0.000 2.337 135 I HA 0.212 4.381 4.170 -0.001 0.000 0.291 135 I C 1.184 177.315 176.117 0.025 0.000 1.046 135 I CA -0.217 61.101 61.300 0.030 0.000 1.324 135 I CB 1.188 39.168 38.000 -0.033 0.000 1.409 135 I HN 0.383 nan 8.210 nan 0.000 0.494 136 G N 6.347 115.171 108.800 0.041 0.000 2.882 136 G HA2 0.359 4.319 3.960 -0.001 0.000 0.164 136 G HA3 0.359 4.319 3.960 -0.001 0.000 0.164 136 G C -0.087 174.884 174.900 0.118 0.000 1.429 136 G CA -0.784 44.345 45.100 0.048 0.000 1.059 136 G HN 0.699 nan 8.290 nan 0.000 0.581 137 R N -0.023 120.524 120.500 0.078 0.000 2.734 137 R HA 0.250 4.589 4.340 -0.001 0.000 0.266 137 R C -2.680 173.679 176.300 0.099 0.000 1.044 137 R CA -0.819 55.337 56.100 0.094 0.000 1.128 137 R CB -0.218 30.105 30.300 0.037 0.000 1.010 137 R HN 0.086 nan 8.270 nan 0.000 0.461 138 P HA 0.060 nan 4.420 nan 0.000 0.275 138 P C -0.188 177.034 177.300 -0.129 0.000 1.227 138 P CA -0.145 62.842 63.100 -0.189 0.000 0.781 138 P CB 0.654 32.256 31.700 -0.163 0.000 0.906 139 L N 1.069 122.187 121.223 -0.175 0.000 2.701 139 L HA 0.472 4.811 4.340 -0.001 0.000 0.238 139 L C 0.934 177.765 176.870 -0.065 0.000 1.106 139 L CA 0.180 54.983 54.840 -0.062 0.000 0.898 139 L CB 0.259 42.318 42.059 -0.001 0.000 1.188 139 L HN 0.594 nan 8.230 nan 0.000 0.508 140 G N -0.000 108.720 108.800 -0.134 0.000 2.361 140 G HA2 0.253 4.212 3.960 -0.001 0.000 0.299 140 G HA3 0.253 4.212 3.960 -0.001 0.000 0.299 140 G C -1.914 172.910 174.900 -0.127 0.000 1.544 140 G CA -0.771 44.273 45.100 -0.094 0.000 0.860 140 G HN -0.273 nan 8.290 nan 0.000 0.610 141 K N 0.019 120.372 120.400 -0.078 0.000 2.270 141 K HA 0.838 5.158 4.320 -0.001 0.000 0.255 141 K C 0.351 176.922 176.600 -0.048 0.000 0.936 141 K CA -0.268 55.983 56.287 -0.060 0.000 0.809 141 K CB 2.095 34.580 32.500 -0.026 0.000 1.131 141 K HN 0.979 nan 8.250 nan 0.000 0.427 142 G N 0.347 109.116 108.800 -0.051 0.000 3.140 142 G HA2 0.236 4.196 3.960 -0.001 0.000 0.271 142 G HA3 0.236 4.196 3.960 -0.001 0.000 0.271 142 G C 0.409 175.241 174.900 -0.114 0.000 1.370 142 G CA -0.460 44.591 45.100 -0.082 0.000 1.014 142 G HN 0.506 nan 8.290 nan 0.000 0.541 143 K N -1.272 118.970 120.400 -0.263 0.000 2.097 143 K HA 0.030 4.349 4.320 -0.001 0.000 0.205 143 K C 1.266 177.656 176.600 -0.351 0.000 1.050 143 K CA 1.402 57.440 56.287 -0.414 0.000 0.938 143 K CB -0.186 31.854 32.500 -0.766 0.000 0.718 143 K HN 0.325 nan 8.250 nan 0.000 0.442 144 F N -0.428 119.523 119.950 0.001 0.000 2.721 144 F HA 0.365 4.892 4.527 -0.001 0.000 0.301 144 F C 0.994 176.732 175.800 -0.104 0.000 1.096 144 F CA 0.144 58.137 58.000 -0.012 0.000 1.308 144 F CB 1.156 40.118 39.000 -0.063 0.000 1.086 144 F HN 0.145 nan 8.300 nan 0.000 0.587 145 G N -0.558 108.239 108.800 -0.005 0.000 2.317 145 G HA2 0.245 4.205 3.960 -0.001 0.000 0.293 145 G HA3 0.245 4.205 3.960 -0.001 0.000 0.293 145 G C -1.763 173.043 174.900 -0.157 0.000 1.287 145 G CA -0.981 43.948 45.100 -0.285 0.000 0.850 145 G HN -0.106 nan 8.290 nan 0.000 0.515 146 N N -1.188 117.392 118.700 -0.199 0.000 2.328 146 N HA 0.722 5.461 4.740 -0.001 0.000 0.299 146 N C -0.973 174.419 175.510 -0.197 0.000 1.179 146 N CA -0.445 52.501 53.050 -0.172 0.000 0.793 146 N CB 2.322 40.714 38.487 -0.158 0.000 1.366 146 N HN 0.439 nan 8.380 nan 0.000 0.493 147 V N 1.506 121.228 119.914 -0.321 0.000 2.604 147 V HA 0.499 4.619 4.120 -0.001 0.000 0.305 147 V C -1.219 174.636 176.094 -0.398 0.000 1.043 147 V CA -0.593 61.588 62.300 -0.199 0.000 0.888 147 V CB 0.861 32.633 31.823 -0.085 0.000 0.995 147 V HN 0.525 nan 8.190 nan 0.000 0.429 148 Y N 2.954 123.241 120.300 -0.023 0.000 2.536 148 Y HA 0.644 5.194 4.550 -0.001 0.000 0.347 148 Y C -0.189 175.665 175.900 -0.077 0.000 1.000 148 Y CA -1.076 57.004 58.100 -0.032 0.000 1.051 148 Y CB 1.819 40.269 38.460 -0.017 0.000 1.259 148 Y HN 0.534 nan 8.280 nan 0.000 0.468 149 L N 2.520 123.757 121.223 0.024 0.000 2.380 149 L HA 0.736 5.075 4.340 -0.001 0.000 0.273 149 L C -0.260 176.555 176.870 -0.091 0.000 1.138 149 L CA 0.194 54.941 54.840 -0.155 0.000 0.832 149 L CB 0.049 41.948 42.059 -0.267 0.000 1.124 149 L HN 0.769 nan 8.230 nan 0.000 0.454 150 A N 5.520 128.252 122.820 -0.146 0.000 2.569 150 A HA 0.859 5.179 4.320 -0.001 0.000 0.290 150 A C -1.134 176.405 177.584 -0.075 0.000 1.136 150 A CA -0.802 51.186 52.037 -0.081 0.000 0.710 150 A CB 1.520 20.444 19.000 -0.127 0.000 1.303 150 A HN 0.660 nan 8.150 nan 0.000 0.413 151 R N 0.856 121.384 120.500 0.046 0.000 2.621 151 R HA 0.351 4.690 4.340 -0.001 0.000 0.284 151 R C -1.277 175.174 176.300 0.252 0.000 0.998 151 R CA -0.329 55.815 56.100 0.073 0.000 0.895 151 R CB 1.833 32.154 30.300 0.034 0.000 1.195 151 R HN 0.926 nan 8.270 nan 0.000 0.450 152 E N 3.294 123.672 120.200 0.297 0.000 2.223 152 E HA 0.070 4.420 4.350 -0.001 0.000 0.282 152 E C 0.463 177.162 176.600 0.165 0.000 1.046 152 E CA -0.072 56.533 56.400 0.341 0.000 0.857 152 E CB 0.984 30.916 29.700 0.386 0.000 1.055 152 E HN 0.458 nan 8.360 nan 0.000 0.409 153 K N 3.039 123.486 120.400 0.078 0.000 2.074 153 K HA -0.270 4.049 4.320 -0.001 0.000 0.209 153 K C 1.771 178.389 176.600 0.032 0.000 1.048 153 K CA 1.643 57.951 56.287 0.034 0.000 0.926 153 K CB -0.008 32.482 32.500 -0.017 0.000 0.713 153 K HN 0.603 nan 8.250 nan 0.000 0.444 154 Q N 0.512 120.325 119.800 0.022 0.000 1.891 154 Q HA -0.142 4.198 4.340 -0.001 0.000 0.214 154 Q C 2.189 178.216 176.000 0.044 0.000 0.995 154 Q CA 2.145 57.958 55.803 0.015 0.000 0.866 154 Q CB -0.308 28.427 28.738 -0.005 0.000 0.931 154 Q HN 0.374 nan 8.270 nan 0.000 0.422 155 S N 0.030 115.776 115.700 0.077 0.000 2.603 155 S HA 0.004 4.474 4.470 -0.001 0.000 0.229 155 S C 0.313 174.996 174.600 0.138 0.000 0.972 155 S CA 0.243 58.499 58.200 0.093 0.000 0.935 155 S CB 0.113 63.366 63.200 0.088 0.000 0.769 155 S HN 0.204 nan 8.310 nan 0.000 0.536 156 K N -0.143 120.334 120.400 0.129 0.000 3.020 156 K HA -0.189 4.130 4.320 -0.001 0.000 0.266 156 K C -0.454 176.240 176.600 0.156 0.000 1.067 156 K CA 0.521 56.876 56.287 0.114 0.000 0.780 156 K CB -2.514 30.034 32.500 0.079 0.000 1.220 156 K HN 0.625 nan 8.250 nan 0.000 0.483 157 F N 1.885 121.860 119.950 0.041 0.000 2.445 157 F HA 0.281 4.807 4.527 -0.001 0.000 0.359 157 F C 0.762 176.585 175.800 0.039 0.000 1.101 157 F CA -1.315 56.701 58.000 0.028 0.000 1.177 157 F CB 0.485 39.479 39.000 -0.010 0.000 1.110 157 F HN -0.052 nan 8.300 nan 0.000 0.522 158 I N 8.062 128.231 120.570 -0.668 0.000 2.471 158 I HA 0.175 4.344 4.170 -0.001 0.000 0.286 158 I C -0.168 175.523 176.117 -0.709 0.000 1.079 158 I CA -0.119 60.859 61.300 -0.536 0.000 1.398 158 I CB 0.231 38.037 38.000 -0.323 0.000 1.403 158 I HN 0.595 nan 8.210 nan 0.000 0.530 159 L N 4.278 125.292 121.223 -0.349 0.000 2.656 159 L HA 0.981 5.320 4.340 -0.001 0.000 0.252 159 L C -0.635 176.196 176.870 -0.065 0.000 1.129 159 L CA -1.030 53.741 54.840 -0.115 0.000 0.962 159 L CB 1.266 43.328 42.059 0.005 0.000 1.565 159 L HN 0.446 nan 8.230 nan 0.000 0.389 160 A N 0.661 123.513 122.820 0.055 0.000 2.318 160 A HA 0.813 5.133 4.320 -0.001 0.000 0.317 160 A C -1.358 176.219 177.584 -0.011 0.000 1.159 160 A CA -0.357 51.701 52.037 0.035 0.000 0.799 160 A CB 1.143 20.228 19.000 0.142 0.000 1.194 160 A HN 0.771 nan 8.150 nan 0.000 0.479 161 L N 2.158 123.362 121.223 -0.032 0.000 2.265 161 L HA 0.483 4.823 4.340 -0.001 0.000 0.289 161 L C 0.056 176.963 176.870 0.061 0.000 1.033 161 L CA -0.054 54.757 54.840 -0.048 0.000 0.814 161 L CB 0.992 42.985 42.059 -0.110 0.000 1.203 161 L HN 0.663 nan 8.230 nan 0.000 0.423 162 K N 4.245 124.650 120.400 0.010 0.000 2.240 162 K HA 0.529 4.848 4.320 -0.001 0.000 0.271 162 K C -1.413 175.121 176.600 -0.111 0.000 1.018 162 K CA -0.627 55.643 56.287 -0.029 0.000 0.874 162 K CB 1.123 33.591 32.500 -0.054 0.000 1.098 162 K HN 0.477 nan 8.250 nan 0.000 0.458 163 V N 6.853 126.681 119.914 -0.143 0.000 2.333 163 V HA 0.293 4.412 4.120 -0.001 0.000 0.274 163 V C -0.191 175.528 176.094 -0.624 0.000 1.028 163 V CA -0.735 61.329 62.300 -0.394 0.000 0.851 163 V CB 0.762 32.445 31.823 -0.233 0.000 1.000 163 V HN 0.675 nan 8.190 nan 0.000 0.456 164 L N 5.084 125.937 121.223 -0.617 0.000 2.309 164 L HA 0.591 4.930 4.340 -0.001 0.000 0.282 164 L C -0.747 175.814 176.870 -0.515 0.000 1.036 164 L CA -0.457 54.064 54.840 -0.531 0.000 0.806 164 L CB 1.481 43.350 42.059 -0.317 0.000 1.220 164 L HN 0.416 nan 8.230 nan 0.000 0.429 165 F N 2.193 122.108 119.950 -0.060 0.000 2.390 165 F HA 0.297 4.824 4.527 -0.001 0.000 0.361 165 F C 1.385 177.155 175.800 -0.050 0.000 1.124 165 F CA -0.778 57.193 58.000 -0.049 0.000 1.149 165 F CB 0.669 39.671 39.000 0.003 0.000 1.160 165 F HN 0.423 nan 8.300 nan 0.000 0.501 166 K N 2.235 122.693 120.400 0.096 0.000 2.127 166 K HA -0.259 4.060 4.320 -0.001 0.000 0.208 166 K C 2.170 178.794 176.600 0.040 0.000 1.047 166 K CA 1.596 57.897 56.287 0.023 0.000 0.927 166 K CB -0.165 32.351 32.500 0.027 0.000 0.716 166 K HN 0.753 nan 8.250 nan 0.000 0.450 167 A N 1.604 124.474 122.820 0.084 0.000 1.873 167 A HA -0.258 4.061 4.320 -0.001 0.000 0.218 167 A C 2.141 179.773 177.584 0.081 0.000 1.193 167 A CA 1.616 53.692 52.037 0.064 0.000 0.629 167 A CB -0.501 18.529 19.000 0.050 0.000 0.826 167 A HN 0.235 nan 8.150 nan 0.000 0.447 168 Q N -0.146 119.747 119.800 0.155 0.000 2.096 168 Q HA -0.138 4.201 4.340 -0.001 0.000 0.204 168 Q C 2.217 178.293 176.000 0.125 0.000 0.982 168 Q CA 1.494 57.440 55.803 0.238 0.000 0.850 168 Q CB -0.688 28.313 28.738 0.439 0.000 0.901 168 Q HN 0.747 nan 8.270 nan 0.000 0.422 169 L N 0.480 121.653 121.223 -0.084 0.000 2.046 169 L HA -0.191 4.148 4.340 -0.001 0.000 0.208 169 L C 2.336 179.099 176.870 -0.177 0.000 1.077 169 L CA 1.297 55.923 54.840 -0.355 0.000 0.747 169 L CB -0.435 41.422 42.059 -0.337 0.000 0.896 169 L HN 0.243 nan 8.230 nan 0.000 0.432 170 E N 0.267 120.423 120.200 -0.072 0.000 2.072 170 E HA -0.266 4.084 4.350 -0.001 0.000 0.191 170 E C 2.054 178.650 176.600 -0.007 0.000 0.985 170 E CA 1.090 57.470 56.400 -0.034 0.000 0.801 170 E CB -0.049 29.646 29.700 -0.009 0.000 0.750 170 E HN 0.221 nan 8.360 nan 0.000 0.452 171 K N 1.157 121.571 120.400 0.023 0.000 2.218 171 K HA -0.161 4.158 4.320 -0.001 0.000 0.205 171 K C 1.354 177.987 176.600 0.055 0.000 1.046 171 K CA 1.585 57.901 56.287 0.047 0.000 0.933 171 K CB -0.039 32.510 32.500 0.081 0.000 0.728 171 K HN 0.109 nan 8.250 nan 0.000 0.454 172 A N -0.702 122.150 122.820 0.053 0.000 2.470 172 A HA 0.408 4.727 4.320 -0.001 0.000 0.251 172 A C 0.994 178.580 177.584 0.002 0.000 1.245 172 A CA 0.195 52.270 52.037 0.065 0.000 0.932 172 A CB -0.197 18.909 19.000 0.177 0.000 1.037 172 A HN 0.436 nan 8.150 nan 0.000 0.522 173 G N -0.051 108.735 108.800 -0.024 0.000 2.356 173 G HA2 -0.207 3.753 3.960 -0.001 0.000 0.296 173 G HA3 -0.207 3.753 3.960 -0.001 0.000 0.296 173 G C 0.760 175.630 174.900 -0.051 0.000 1.022 173 G CA 1.067 46.148 45.100 -0.031 0.000 0.961 173 G HN 1.619 nan 8.290 nan 0.000 0.510 174 V N -3.756 116.091 119.914 -0.112 0.000 3.477 174 V HA 0.430 4.549 4.120 -0.001 0.000 0.297 174 V C 1.740 177.741 176.094 -0.156 0.000 1.433 174 V CA 1.364 63.580 62.300 -0.140 0.000 1.052 174 V CB 0.485 32.168 31.823 -0.235 0.000 0.895 174 V HN 0.421 nan 8.190 nan 0.000 0.438 175 E N 0.672 120.785 120.200 -0.144 0.000 2.097 175 E HA -0.339 4.010 4.350 -0.001 0.000 0.196 175 E C 2.173 178.718 176.600 -0.091 0.000 1.000 175 E CA 1.930 58.247 56.400 -0.138 0.000 0.804 175 E CB -0.271 29.368 29.700 -0.101 0.000 0.740 175 E HN 0.795 nan 8.360 nan 0.000 0.454 176 H N 0.365 119.374 119.070 -0.102 0.000 2.389 176 H HA -0.089 4.467 4.556 -0.001 0.000 0.299 176 H C 2.111 177.391 175.328 -0.079 0.000 1.081 176 H CA 1.777 57.778 56.048 -0.077 0.000 1.345 176 H CB 0.153 29.882 29.762 -0.055 0.000 1.393 176 H HN 0.324 nan 8.280 nan 0.000 0.520 177 Q N 0.068 119.910 119.800 0.069 0.000 2.020 177 Q HA -0.147 4.192 4.340 -0.001 0.000 0.202 177 Q C 2.490 178.462 176.000 -0.046 0.000 0.982 177 Q CA 1.592 57.406 55.803 0.019 0.000 0.838 177 Q CB -0.083 28.646 28.738 -0.015 0.000 0.899 177 Q HN 0.342 nan 8.270 nan 0.000 0.423 178 L N 1.128 122.283 121.223 -0.113 0.000 2.013 178 L HA -0.220 4.120 4.340 -0.001 0.000 0.212 178 L C 2.424 179.185 176.870 -0.183 0.000 1.073 178 L CA 2.073 56.810 54.840 -0.171 0.000 0.753 178 L CB -0.706 41.205 42.059 -0.247 0.000 0.890 178 L HN 0.158 nan 8.230 nan 0.000 0.432 179 R N -0.135 120.252 120.500 -0.188 0.000 2.113 179 R HA -0.210 4.130 4.340 -0.001 0.000 0.244 179 R C 2.541 178.745 176.300 -0.160 0.000 1.142 179 R CA 1.866 57.845 56.100 -0.202 0.000 0.953 179 R CB -0.697 29.448 30.300 -0.257 0.000 0.860 179 R HN 0.370 nan 8.270 nan 0.000 0.438 180 R N 0.556 120.994 120.500 -0.103 0.000 2.090 180 R HA -0.062 4.277 4.340 -0.001 0.000 0.228 180 R C 1.876 178.167 176.300 -0.016 0.000 1.110 180 R CA 1.833 57.908 56.100 -0.041 0.000 0.973 180 R CB -0.135 30.178 30.300 0.020 0.000 0.869 180 R HN 0.441 nan 8.270 nan 0.000 0.440 181 E N -0.264 119.941 120.200 0.009 0.000 2.047 181 E HA -0.127 4.223 4.350 -0.001 0.000 0.191 181 E C 1.982 178.659 176.600 0.127 0.000 0.987 181 E CA 1.411 57.888 56.400 0.128 0.000 0.799 181 E CB -0.005 29.800 29.700 0.175 0.000 0.752 181 E HN 0.064 nan 8.360 nan 0.000 0.449 182 V N 1.501 121.378 119.914 -0.061 0.000 2.392 182 V HA -0.268 3.852 4.120 -0.001 0.000 0.249 182 V C 2.327 178.263 176.094 -0.264 0.000 1.059 182 V CA 1.997 64.169 62.300 -0.214 0.000 1.051 182 V CB -0.479 30.995 31.823 -0.581 0.000 0.658 182 V HN 0.234 nan 8.190 nan 0.000 0.455 183 E N 0.783 120.850 120.200 -0.221 0.000 2.038 183 E HA -0.210 4.140 4.350 -0.001 0.000 0.195 183 E C 1.952 178.388 176.600 -0.274 0.000 1.000 183 E CA 1.889 58.171 56.400 -0.196 0.000 0.803 183 E CB -0.388 29.249 29.700 -0.105 0.000 0.750 183 E HN 0.591 nan 8.360 nan 0.000 0.448 184 I N 0.404 120.886 120.570 -0.148 0.000 2.142 184 I HA -0.281 3.889 4.170 -0.001 0.000 0.240 184 I C 2.672 178.661 176.117 -0.213 0.000 1.078 184 I CA 1.262 62.475 61.300 -0.145 0.000 1.343 184 I CB -0.492 37.506 38.000 -0.004 0.000 1.046 184 I HN 0.212 nan 8.210 nan 0.000 0.405 185 Q N 0.730 120.440 119.800 -0.150 0.000 2.152 185 Q HA -0.228 4.112 4.340 -0.001 0.000 0.206 185 Q C 2.385 178.326 176.000 -0.100 0.000 0.985 185 Q CA 2.219 57.913 55.803 -0.182 0.000 0.863 185 Q CB -0.321 28.480 28.738 0.105 0.000 0.904 185 Q HN 0.644 nan 8.270 nan 0.000 0.422 186 S N -1.352 114.293 115.700 -0.092 0.000 2.537 186 S HA -0.138 4.331 4.470 -0.001 0.000 0.240 186 S C 1.027 175.713 174.600 0.144 0.000 0.981 186 S CA 0.987 59.203 58.200 0.026 0.000 0.948 186 S CB -0.375 62.864 63.200 0.065 0.000 0.759 186 S HN 0.529 nan 8.310 nan 0.000 0.531 187 H N -0.388 118.693 119.070 0.018 0.000 2.755 187 H HA 0.442 4.998 4.556 -0.001 0.000 0.273 187 H C -0.292 175.045 175.328 0.014 0.000 1.055 187 H CA -0.606 55.456 56.048 0.022 0.000 1.191 187 H CB 0.437 30.204 29.762 0.008 0.000 1.536 187 H HN 0.287 nan 8.280 nan 0.000 0.529 188 L N 1.668 122.930 121.223 0.065 0.000 2.275 188 L HA 0.425 4.765 4.340 -0.001 0.000 0.288 188 L C -0.129 176.794 176.870 0.088 0.000 1.046 188 L CA -0.475 54.410 54.840 0.076 0.000 0.805 188 L CB 1.487 43.416 42.059 -0.216 0.000 1.193 188 L HN 0.032 nan 8.230 nan 0.000 0.426 189 R N 2.915 123.499 120.500 0.140 0.000 2.468 189 R HA 0.450 4.790 4.340 -0.001 0.000 0.302 189 R C -1.322 174.783 176.300 -0.325 0.000 1.041 189 R CA -0.397 55.672 56.100 -0.053 0.000 0.899 189 R CB 0.574 30.872 30.300 -0.004 0.000 1.167 189 R HN 0.569 nan 8.270 nan 0.000 0.483 190 H N 4.919 123.782 119.070 -0.345 0.000 3.123 190 H HA 0.185 4.740 4.556 -0.001 0.000 0.346 190 H C -2.287 172.926 175.328 -0.191 0.000 1.138 190 H CA -1.644 54.162 56.048 -0.403 0.000 1.273 190 H CB 2.552 31.994 29.762 -0.533 0.000 1.926 190 H HN 0.376 nan 8.280 nan 0.000 0.524 191 P HA -0.110 nan 4.420 nan 0.000 0.220 191 P C -0.022 177.275 177.300 -0.004 0.000 1.144 191 P CA 1.191 64.159 63.100 -0.219 0.000 0.800 191 P CB 0.380 31.906 31.700 -0.290 0.000 0.772 192 N N -0.890 117.982 118.700 0.287 0.000 2.234 192 N HA 0.253 4.992 4.740 -0.001 0.000 0.227 192 N C -0.006 175.597 175.510 0.155 0.000 1.151 192 N CA -0.121 53.058 53.050 0.214 0.000 0.865 192 N CB 0.325 38.949 38.487 0.228 0.000 1.066 192 N HN 0.160 nan 8.380 nan 0.000 0.515 193 I N 1.267 121.928 120.570 0.151 0.000 2.418 193 I HA 0.206 4.376 4.170 -0.001 0.000 0.287 193 I C -0.633 175.496 176.117 0.020 0.000 1.008 193 I CA -1.144 60.214 61.300 0.098 0.000 1.104 193 I CB 1.770 39.814 38.000 0.073 0.000 1.264 193 I HN -0.035 nan 8.210 nan 0.000 0.438 194 L N 6.860 128.081 121.223 -0.004 0.000 2.559 194 L HA 0.048 4.388 4.340 -0.001 0.000 0.274 194 L C 0.578 177.399 176.870 -0.081 0.000 1.205 194 L CA 0.348 55.168 54.840 -0.034 0.000 0.907 194 L CB 0.054 42.102 42.059 -0.018 0.000 1.153 194 L HN 0.510 nan 8.230 nan 0.000 0.490 195 R N 4.213 124.636 120.500 -0.129 0.000 2.537 195 R HA 0.312 4.652 4.340 -0.001 0.000 0.280 195 R C -1.139 174.975 176.300 -0.310 0.000 1.058 195 R CA -0.081 55.858 56.100 -0.268 0.000 1.057 195 R CB 0.311 30.337 30.300 -0.457 0.000 0.973 195 R HN 0.614 nan 8.270 nan 0.000 0.438 196 L N 6.329 127.437 121.223 -0.191 0.000 2.277 196 L HA 0.294 4.634 4.340 -0.001 0.000 0.284 196 L C -0.659 176.198 176.870 -0.020 0.000 1.028 196 L CA -0.030 54.795 54.840 -0.025 0.000 0.835 196 L CB 0.798 42.942 42.059 0.142 0.000 1.215 196 L HN 0.749 nan 8.230 nan 0.000 0.425 197 Y N 3.845 124.247 120.300 0.170 0.000 2.395 197 Y HA 0.474 5.024 4.550 -0.001 0.000 0.293 197 Y C 1.540 177.569 175.900 0.215 0.000 1.123 197 Y CA 0.339 58.546 58.100 0.177 0.000 1.227 197 Y CB -0.036 38.512 38.460 0.146 0.000 1.012 197 Y HN 0.665 nan 8.280 nan 0.000 0.552 198 G N -1.712 107.268 108.800 0.300 0.000 2.320 198 G HA2 0.440 4.399 3.960 -0.001 0.000 0.296 198 G HA3 0.440 4.399 3.960 -0.001 0.000 0.296 198 G C -2.164 172.943 174.900 0.346 0.000 1.306 198 G CA -0.435 44.858 45.100 0.323 0.000 0.836 198 G HN 0.069 nan 8.290 nan 0.000 0.517 199 Y N -1.878 118.541 120.300 0.198 0.000 2.662 199 Y HA 0.827 5.377 4.550 -0.001 0.000 0.334 199 Y C -1.062 175.153 175.900 0.526 0.000 1.185 199 Y CA -2.152 56.093 58.100 0.241 0.000 1.074 199 Y CB 0.729 39.251 38.460 0.104 0.000 1.330 199 Y HN 1.538 nan 8.280 nan 0.000 0.458 200 F N -1.202 118.929 119.950 0.302 0.000 3.090 200 F HA 0.892 5.419 4.527 -0.001 0.000 0.324 200 F C -1.232 174.880 175.800 0.520 0.000 1.189 200 F CA -0.835 57.366 58.000 0.334 0.000 0.907 200 F CB 1.474 40.629 39.000 0.258 0.000 1.445 200 F HN 1.029 nan 8.300 nan 0.000 0.500 201 H N -1.263 118.028 119.070 0.367 0.000 2.932 201 H HA 0.686 5.242 4.556 -0.001 0.000 0.307 201 H C -2.274 173.256 175.328 0.336 0.000 1.391 201 H CA -0.560 55.656 56.048 0.280 0.000 1.130 201 H CB 1.439 31.290 29.762 0.148 0.000 1.836 201 H HN 0.794 nan 8.280 nan 0.000 0.522 202 D N -0.897 119.622 120.400 0.198 0.000 2.867 202 D HA 0.515 5.155 4.640 -0.001 0.000 0.308 202 D C 1.289 177.685 176.300 0.159 0.000 1.202 202 D CA -0.115 53.951 54.000 0.110 0.000 1.035 202 D CB 0.457 41.391 40.800 0.223 0.000 1.427 202 D HN 0.605 nan 8.370 nan 0.000 0.570 203 A N -0.529 122.366 122.820 0.126 0.000 1.884 203 A HA -0.123 4.197 4.320 -0.001 0.000 0.219 203 A C 1.848 179.505 177.584 0.122 0.000 1.197 203 A CA 3.520 55.628 52.037 0.118 0.000 0.637 203 A CB -1.512 17.541 19.000 0.089 0.000 0.827 203 A HN 0.878 nan 8.150 nan 0.000 0.450 204 T N -4.269 110.357 114.554 0.121 0.000 3.084 204 T HA 0.460 4.809 4.350 -0.001 0.000 0.270 204 T C 0.462 175.227 174.700 0.107 0.000 1.008 204 T CA -0.443 61.721 62.100 0.108 0.000 0.900 204 T CB 0.108 69.035 68.868 0.099 0.000 1.084 204 T HN 0.429 nan 8.240 nan 0.000 0.538 205 R N 0.157 120.701 120.500 0.072 0.000 2.771 205 R HA 0.728 5.067 4.340 -0.001 0.000 0.274 205 R C -1.784 174.399 176.300 -0.195 0.000 0.987 205 R CA -0.905 55.122 56.100 -0.122 0.000 0.908 205 R CB 2.634 32.742 30.300 -0.321 0.000 1.213 205 R HN 0.037 nan 8.270 nan 0.000 0.468 206 V N 2.341 122.030 119.914 -0.376 0.000 2.495 206 V HA 0.426 4.546 4.120 -0.001 0.000 0.298 206 V C -1.245 174.517 176.094 -0.552 0.000 1.031 206 V CA -0.811 61.324 62.300 -0.275 0.000 0.871 206 V CB 1.274 32.977 31.823 -0.200 0.000 0.988 206 V HN 0.571 nan 8.190 nan 0.000 0.432 207 Y N 4.598 124.664 120.300 -0.390 0.000 2.335 207 Y HA 0.684 5.234 4.550 -0.001 0.000 0.338 207 Y C -0.091 175.608 175.900 -0.335 0.000 0.977 207 Y CA -0.763 57.015 58.100 -0.536 0.000 1.114 207 Y CB 1.625 39.352 38.460 -1.221 0.000 1.182 207 Y HN 0.414 nan 8.280 nan 0.000 0.463 208 L N 5.165 126.339 121.223 -0.082 0.000 2.313 208 L HA 0.533 4.873 4.340 -0.001 0.000 0.283 208 L C -0.636 176.237 176.870 0.005 0.000 1.013 208 L CA -0.655 54.177 54.840 -0.013 0.000 0.816 208 L CB 1.526 43.527 42.059 -0.098 0.000 1.236 208 L HN 0.576 nan 8.230 nan 0.000 0.419 209 I N 5.104 125.694 120.570 0.034 0.000 2.281 209 I HA 0.296 4.465 4.170 -0.001 0.000 0.293 209 I C -0.215 175.984 176.117 0.136 0.000 1.085 209 I CA -0.089 61.199 61.300 -0.020 0.000 1.257 209 I CB 0.367 38.259 38.000 -0.180 0.000 1.430 209 I HN 0.397 nan 8.210 nan 0.000 0.489 210 L N 4.893 126.199 121.223 0.139 0.000 2.313 210 L HA 0.479 4.819 4.340 -0.001 0.000 0.268 210 L C 0.472 177.491 176.870 0.249 0.000 1.010 210 L CA -0.869 54.065 54.840 0.155 0.000 0.814 210 L CB 1.453 43.598 42.059 0.145 0.000 1.304 210 L HN 0.523 nan 8.230 nan 0.000 0.441 211 E N 0.579 120.857 120.200 0.131 0.000 2.392 211 E HA -0.039 4.310 4.350 -0.001 0.000 0.264 211 E C -1.571 175.173 176.600 0.240 0.000 1.024 211 E CA -0.295 56.260 56.400 0.258 0.000 0.903 211 E CB 0.690 30.435 29.700 0.074 0.000 0.963 211 E HN 0.401 nan 8.360 nan 0.000 0.432 212 Y N 3.140 123.501 120.300 0.103 0.000 2.341 212 Y HA 0.451 5.001 4.550 -0.001 0.000 0.340 212 Y C -0.877 175.039 175.900 0.027 0.000 0.997 212 Y CA -1.127 56.990 58.100 0.029 0.000 1.149 212 Y CB 0.979 39.419 38.460 -0.034 0.000 1.171 212 Y HN 0.465 nan 8.280 nan 0.000 0.494 213 A N 9.785 132.369 122.820 -0.395 0.000 2.341 213 A HA 0.402 4.722 4.320 -0.001 0.000 0.326 213 A C -1.870 175.300 177.584 -0.690 0.000 1.402 213 A CA -1.542 50.248 52.037 -0.411 0.000 0.957 213 A CB 0.056 18.953 19.000 -0.172 0.000 1.151 213 A HN 0.725 nan 8.150 nan 0.000 0.533 214 P HA -0.097 nan 4.420 nan 0.000 0.228 214 P C 0.638 177.806 177.300 -0.220 0.000 1.151 214 P CA 0.911 63.646 63.100 -0.608 0.000 0.770 214 P CB 0.257 31.730 31.700 -0.378 0.000 0.786 215 L N -1.579 119.538 121.223 -0.177 0.000 2.700 215 L HA 0.350 4.690 4.340 -0.001 0.000 0.234 215 L C 1.242 178.081 176.870 -0.052 0.000 1.156 215 L CA 0.117 54.906 54.840 -0.086 0.000 0.946 215 L CB -0.389 41.627 42.059 -0.072 0.000 1.216 215 L HN 0.095 nan 8.230 nan 0.000 0.493 216 G N 0.680 109.448 108.800 -0.053 0.000 2.681 216 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.220 216 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.220 216 G C -0.020 174.878 174.900 -0.003 0.000 1.353 216 G CA -0.269 44.825 45.100 -0.010 0.000 0.872 216 G HN 0.244 nan 8.290 nan 0.000 0.557 217 T N -2.219 112.357 114.554 0.036 0.000 2.922 217 T HA 0.590 4.939 4.350 -0.001 0.000 0.285 217 T C 1.618 176.366 174.700 0.079 0.000 1.005 217 T CA 0.316 62.452 62.100 0.061 0.000 1.061 217 T CB 1.680 70.618 68.868 0.116 0.000 1.007 217 T HN 1.377 nan 8.240 nan 0.000 0.502 218 V N 1.613 121.574 119.914 0.078 0.000 2.407 218 V HA -0.118 4.002 4.120 -0.001 0.000 0.248 218 V C 2.089 178.333 176.094 0.249 0.000 1.055 218 V CA 1.690 64.060 62.300 0.117 0.000 1.049 218 V CB -1.417 30.445 31.823 0.065 0.000 0.662 218 V HN 0.931 nan 8.190 nan 0.000 0.455 219 Y N 1.390 121.773 120.300 0.138 0.000 2.128 219 Y HA -0.216 4.334 4.550 -0.001 0.000 0.284 219 Y C 2.735 178.691 175.900 0.093 0.000 1.154 219 Y CA 1.673 59.847 58.100 0.125 0.000 1.149 219 Y CB -0.196 38.316 38.460 0.087 0.000 0.976 219 Y HN 0.048 nan 8.280 nan 0.000 0.505 220 R N 0.578 121.105 120.500 0.044 0.000 2.073 220 R HA -0.200 4.139 4.340 -0.001 0.000 0.234 220 R C 2.279 178.551 176.300 -0.046 0.000 1.134 220 R CA 1.722 57.799 56.100 -0.037 0.000 0.952 220 R CB -1.048 29.279 30.300 0.046 0.000 0.850 220 R HN 0.593 nan 8.270 nan 0.000 0.433 221 E N 0.528 120.761 120.200 0.054 0.000 2.085 221 E HA -0.210 4.140 4.350 -0.001 0.000 0.194 221 E C 1.936 178.623 176.600 0.144 0.000 0.994 221 E CA 1.155 57.635 56.400 0.134 0.000 0.801 221 E CB -0.098 29.730 29.700 0.214 0.000 0.743 221 E HN 0.075 nan 8.360 nan 0.000 0.453 222 L N 1.269 122.526 121.223 0.056 0.000 2.017 222 L HA -0.220 4.120 4.340 -0.001 0.000 0.208 222 L C 2.297 178.990 176.870 -0.295 0.000 1.073 222 L CA 1.849 56.498 54.840 -0.318 0.000 0.745 222 L CB -0.470 41.380 42.059 -0.349 0.000 0.894 222 L HN 0.187 nan 8.230 nan 0.000 0.432 223 Q N -0.705 118.897 119.800 -0.330 0.000 2.124 223 Q HA -0.276 4.064 4.340 -0.001 0.000 0.202 223 Q C 2.266 178.179 176.000 -0.146 0.000 0.977 223 Q CA 1.912 57.549 55.803 -0.276 0.000 0.850 223 Q CB -0.191 28.351 28.738 -0.327 0.000 0.901 223 Q HN 0.523 nan 8.270 nan 0.000 0.429 224 K N 0.828 121.170 120.400 -0.097 0.000 2.057 224 K HA -0.114 4.206 4.320 -0.001 0.000 0.206 224 K C 1.639 178.217 176.600 -0.036 0.000 1.050 224 K CA 0.984 57.244 56.287 -0.045 0.000 0.935 224 K CB 0.081 32.575 32.500 -0.010 0.000 0.715 224 K HN 0.173 nan 8.250 nan 0.000 0.439 225 L N 0.108 121.314 121.223 -0.028 0.000 2.592 225 L HA 0.123 4.462 4.340 -0.001 0.000 0.227 225 L C 1.093 177.911 176.870 -0.087 0.000 1.127 225 L CA -0.008 54.820 54.840 -0.019 0.000 0.884 225 L CB 0.257 42.368 42.059 0.087 0.000 1.065 225 L HN 0.220 nan 8.230 nan 0.000 0.457 226 S N 0.061 115.681 115.700 -0.134 0.000 1.619 226 S HA -0.254 4.216 4.470 -0.001 0.000 0.235 226 S C 0.331 174.806 174.600 -0.208 0.000 0.805 226 S CA 2.345 60.458 58.200 -0.145 0.000 1.403 226 S CB -0.491 62.646 63.200 -0.104 0.000 1.782 226 S HN 0.740 nan 8.310 nan 0.000 0.524 227 K N -0.514 119.746 120.400 -0.233 0.000 2.587 227 K HA 0.629 4.948 4.320 -0.001 0.000 0.276 227 K C -1.343 175.152 176.600 -0.175 0.000 0.956 227 K CA -0.963 55.152 56.287 -0.287 0.000 0.857 227 K CB 0.709 33.126 32.500 -0.139 0.000 1.431 227 K HN 0.075 nan 8.250 nan 0.000 0.420 228 F N 1.377 121.333 119.950 0.009 0.000 2.380 228 F HA 0.260 4.787 4.527 -0.001 0.000 0.321 228 F C 0.734 176.523 175.800 -0.018 0.000 1.103 228 F CA -0.679 57.295 58.000 -0.044 0.000 1.067 228 F CB 0.638 39.576 39.000 -0.104 0.000 1.265 228 F HN 0.727 nan 8.300 nan 0.000 0.517 229 D N -0.717 119.777 120.400 0.156 0.000 2.433 229 D HA 0.140 4.779 4.640 -0.001 0.000 0.255 229 D C 0.579 176.936 176.300 0.095 0.000 1.226 229 D CA -0.347 53.700 54.000 0.078 0.000 1.015 229 D CB 0.409 41.210 40.800 0.002 0.000 1.091 229 D HN 0.604 nan 8.370 nan 0.000 0.527 230 E N -0.898 119.357 120.200 0.090 0.000 2.106 230 E HA -0.209 4.141 4.350 -0.001 0.000 0.192 230 E C 1.834 178.335 176.600 -0.165 0.000 0.984 230 E CA 1.013 57.465 56.400 0.086 0.000 0.806 230 E CB -0.071 29.698 29.700 0.116 0.000 0.750 230 E HN 0.401 nan 8.360 nan 0.000 0.458 231 Q N 0.630 120.324 119.800 -0.178 0.000 2.050 231 Q HA -0.170 4.169 4.340 -0.001 0.000 0.202 231 Q C 2.070 177.894 176.000 -0.293 0.000 0.980 231 Q CA 1.417 57.075 55.803 -0.241 0.000 0.840 231 Q CB -0.323 28.301 28.738 -0.189 0.000 0.898 231 Q HN 0.020 nan 8.270 nan 0.000 0.424 232 R N 0.164 120.468 120.500 -0.326 0.000 2.082 232 R HA -0.109 4.230 4.340 -0.001 0.000 0.234 232 R C 2.107 178.015 176.300 -0.654 0.000 1.136 232 R CA 2.369 58.099 56.100 -0.615 0.000 0.935 232 R CB -1.105 28.800 30.300 -0.659 0.000 0.842 232 R HN 0.307 nan 8.270 nan 0.000 0.430 233 T N 0.616 115.018 114.554 -0.253 0.000 2.607 233 T HA -0.208 4.142 4.350 -0.001 0.000 0.267 233 T C 1.819 176.582 174.700 0.105 0.000 1.049 233 T CA 1.973 64.134 62.100 0.102 0.000 1.162 233 T CB -0.785 68.344 68.868 0.435 0.000 0.863 233 T HN 0.475 nan 8.240 nan 0.000 0.424 234 A N 1.129 123.885 122.820 -0.108 0.000 1.940 234 A HA -0.167 4.152 4.320 -0.001 0.000 0.219 234 A C 2.567 180.097 177.584 -0.090 0.000 1.176 234 A CA 2.274 54.181 52.037 -0.216 0.000 0.631 234 A CB -1.288 17.344 19.000 -0.614 0.000 0.814 234 A HN 0.512 nan 8.150 nan 0.000 0.446 235 T N -1.232 113.232 114.554 -0.150 0.000 2.777 235 T HA -0.104 4.245 4.350 -0.001 0.000 0.266 235 T C 1.798 176.552 174.700 0.090 0.000 1.040 235 T CA 1.467 63.518 62.100 -0.082 0.000 1.141 235 T CB -0.388 68.378 68.868 -0.170 0.000 0.868 235 T HN 0.489 nan 8.240 nan 0.000 0.444 236 Y N 1.332 121.608 120.300 -0.041 0.000 2.145 236 Y HA -0.028 4.522 4.550 -0.001 0.000 0.286 236 Y C 2.459 178.429 175.900 0.117 0.000 1.145 236 Y CA -0.336 57.769 58.100 0.008 0.000 1.148 236 Y CB -0.912 37.514 38.460 -0.056 0.000 0.981 236 Y HN 0.159 nan 8.280 nan 0.000 0.507 237 I N -0.541 120.237 120.570 0.346 0.000 2.264 237 I HA -0.271 3.898 4.170 -0.001 0.000 0.248 237 I C 2.157 178.367 176.117 0.155 0.000 1.111 237 I CA 1.559 63.011 61.300 0.253 0.000 1.382 237 I CB -1.714 36.439 38.000 0.255 0.000 1.060 237 I HN 0.183 nan 8.210 nan 0.000 0.418 238 T N 0.657 115.286 114.554 0.125 0.000 2.746 238 T HA -0.173 4.177 4.350 -0.001 0.000 0.267 238 T C 1.816 176.571 174.700 0.091 0.000 1.039 238 T CA 1.408 63.560 62.100 0.087 0.000 1.142 238 T CB -0.152 68.747 68.868 0.052 0.000 0.866 238 T HN 0.418 nan 8.240 nan 0.000 0.444 239 E N 0.651 120.918 120.200 0.112 0.000 2.077 239 E HA -0.035 4.315 4.350 -0.001 0.000 0.193 239 E C 2.254 178.902 176.600 0.080 0.000 0.989 239 E CA 0.786 57.255 56.400 0.114 0.000 0.800 239 E CB -0.247 29.522 29.700 0.115 0.000 0.746 239 E HN 0.392 nan 8.360 nan 0.000 0.452 240 L N 0.532 121.799 121.223 0.072 0.000 2.017 240 L HA -0.186 4.153 4.340 -0.001 0.000 0.208 240 L C 2.604 179.467 176.870 -0.011 0.000 1.073 240 L CA 1.080 55.933 54.840 0.022 0.000 0.745 240 L CB -0.491 41.591 42.059 0.039 0.000 0.894 240 L HN 0.166 nan 8.230 nan 0.000 0.432 241 A N 0.046 122.876 122.820 0.017 0.000 1.933 241 A HA -0.236 4.084 4.320 -0.001 0.000 0.218 241 A C 1.983 179.556 177.584 -0.018 0.000 1.175 241 A CA 2.106 54.141 52.037 -0.003 0.000 0.628 241 A CB -0.817 18.203 19.000 0.033 0.000 0.814 241 A HN 0.532 nan 8.150 nan 0.000 0.444 242 N N -0.213 118.494 118.700 0.011 0.000 2.188 242 N HA -0.044 4.695 4.740 -0.001 0.000 0.184 242 N C 1.973 177.391 175.510 -0.153 0.000 1.018 242 N CA 0.911 53.980 53.050 0.032 0.000 0.858 242 N CB -0.201 38.378 38.487 0.154 0.000 0.989 242 N HN 0.500 nan 8.380 nan 0.000 0.426 243 A N 1.238 123.846 122.820 -0.353 0.000 1.873 243 A HA -0.056 4.263 4.320 -0.001 0.000 0.215 243 A C 2.120 179.595 177.584 -0.181 0.000 1.186 243 A CA 0.909 52.539 52.037 -0.678 0.000 0.616 243 A CB -0.693 18.093 19.000 -0.357 0.000 0.823 243 A HN 0.155 nan 8.150 nan 0.000 0.442 244 L N -0.607 120.560 121.223 -0.093 0.000 2.083 244 L HA -0.163 4.177 4.340 -0.001 0.000 0.209 244 L C 2.910 179.651 176.870 -0.215 0.000 1.083 244 L CA 1.510 56.299 54.840 -0.085 0.000 0.752 244 L CB -0.467 41.504 42.059 -0.147 0.000 0.899 244 L HN 0.508 nan 8.230 nan 0.000 0.433 245 S N -0.675 114.934 115.700 -0.152 0.000 2.368 245 S HA -0.260 4.209 4.470 -0.001 0.000 0.225 245 S C 2.084 176.697 174.600 0.022 0.000 1.030 245 S CA 1.264 59.410 58.200 -0.091 0.000 0.999 245 S CB -0.359 62.836 63.200 -0.008 0.000 0.844 245 S HN 0.521 nan 8.310 nan 0.000 0.459 246 Y N 1.222 121.482 120.300 -0.066 0.000 2.224 246 Y HA -0.128 4.422 4.550 -0.001 0.000 0.289 246 Y C 2.456 178.365 175.900 0.015 0.000 1.146 246 Y CA 1.466 59.562 58.100 -0.006 0.000 1.182 246 Y CB -0.982 37.476 38.460 -0.004 0.000 0.983 246 Y HN 0.388 nan 8.280 nan 0.000 0.524 247 C N 0.298 119.494 119.300 -0.173 0.000 2.446 247 C HA -0.145 4.314 4.460 -0.001 0.000 0.277 247 C C 2.553 177.550 174.990 0.012 0.000 1.275 247 C CA 1.399 60.304 59.018 -0.188 0.000 1.727 247 C CB -1.490 26.313 27.740 0.104 0.000 2.010 247 C HN 0.664 nan 8.230 nan 0.000 0.486 248 H N 0.625 119.668 119.070 -0.045 0.000 2.421 248 H HA -0.123 4.433 4.556 -0.001 0.000 0.298 248 H C 2.353 177.651 175.328 -0.050 0.000 1.087 248 H CA 1.440 57.482 56.048 -0.011 0.000 1.330 248 H CB -0.031 29.750 29.762 0.031 0.000 1.388 248 H HN 0.592 nan 8.280 nan 0.000 0.526 249 S N 0.380 116.101 115.700 0.034 0.000 2.603 249 S HA -0.013 4.457 4.470 -0.001 0.000 0.229 249 S C 1.307 175.856 174.600 -0.085 0.000 0.972 249 S CA 0.503 58.693 58.200 -0.017 0.000 0.935 249 S CB 0.154 63.347 63.200 -0.013 0.000 0.769 249 S HN 0.185 nan 8.310 nan 0.000 0.536 250 K N 0.857 121.173 120.400 -0.141 0.000 2.478 250 K HA 0.329 4.649 4.320 -0.001 0.000 0.205 250 K C 0.081 176.638 176.600 -0.071 0.000 1.033 250 K CA -0.261 55.937 56.287 -0.148 0.000 1.091 250 K CB 0.112 32.440 32.500 -0.286 0.000 0.844 250 K HN 0.359 nan 8.250 nan 0.000 0.507 251 R N -0.080 120.397 120.500 -0.039 0.000 3.875 251 R HA -0.134 4.205 4.340 -0.001 0.000 0.321 251 R C -0.477 175.817 176.300 -0.010 0.000 1.196 251 R CA 0.473 56.557 56.100 -0.027 0.000 0.868 251 R CB -2.037 28.252 30.300 -0.018 0.000 1.333 251 R HN -0.089 nan 8.270 nan 0.000 0.522 252 V N 1.721 121.644 119.914 0.015 0.000 2.435 252 V HA 0.505 4.625 4.120 -0.001 0.000 0.290 252 V C 0.682 176.898 176.094 0.203 0.000 1.030 252 V CA -0.497 61.857 62.300 0.090 0.000 0.881 252 V CB 1.917 33.767 31.823 0.046 0.000 0.983 252 V HN 0.115 nan 8.190 nan 0.000 0.445 253 I N 3.233 123.929 120.570 0.210 0.000 2.863 253 I HA 0.551 4.720 4.170 -0.001 0.000 0.311 253 I C -0.581 175.738 176.117 0.338 0.000 1.026 253 I CA -0.808 60.632 61.300 0.233 0.000 1.077 253 I CB 2.050 40.083 38.000 0.055 0.000 1.262 253 I HN 0.680 nan 8.210 nan 0.000 0.461 254 H N 1.970 121.153 119.070 0.189 0.000 2.690 254 H HA 0.553 5.108 4.556 -0.001 0.000 0.368 254 H C -0.443 174.850 175.328 -0.058 0.000 1.150 254 H CA -0.616 55.401 56.048 -0.051 0.000 1.174 254 H CB 1.611 31.253 29.762 -0.199 0.000 1.684 254 H HN 0.450 nan 8.280 nan 0.000 0.538 255 R N 0.960 121.322 120.500 -0.231 0.000 2.615 255 R HA 0.126 4.466 4.340 -0.001 0.000 0.178 255 R C 0.033 176.453 176.300 0.199 0.000 0.958 255 R CA -0.311 55.773 56.100 -0.027 0.000 1.275 255 R CB -0.081 30.125 30.300 -0.157 0.000 1.207 255 R HN 0.749 nan 8.270 nan 0.000 0.535 256 D N 0.596 121.047 120.400 0.085 0.000 2.361 256 D HA 0.089 4.728 4.640 -0.001 0.000 0.239 256 D C -0.166 176.209 176.300 0.124 0.000 1.200 256 D CA 0.221 54.279 54.000 0.097 0.000 0.915 256 D CB 0.771 41.600 40.800 0.048 0.000 1.170 256 D HN 0.240 nan 8.370 nan 0.000 0.444 257 I N -0.482 120.121 120.570 0.055 0.000 2.499 257 I HA 0.250 4.419 4.170 -0.001 0.000 0.288 257 I C -0.011 176.109 176.117 0.005 0.000 1.048 257 I CA -0.900 60.405 61.300 0.009 0.000 1.062 257 I CB 1.996 39.929 38.000 -0.111 0.000 1.238 257 I HN 0.092 nan 8.210 nan 0.000 0.426 258 K N 5.899 126.307 120.400 0.012 0.000 2.156 258 K HA 0.438 4.758 4.320 -0.001 0.000 0.250 258 K C -1.992 174.635 176.600 0.045 0.000 0.955 258 K CA -1.629 54.663 56.287 0.008 0.000 0.855 258 K CB 1.937 34.425 32.500 -0.021 0.000 1.101 258 K HN 0.146 nan 8.250 nan 0.000 0.434 259 P HA -0.149 nan 4.420 nan 0.000 0.216 259 P C 0.269 177.675 177.300 0.178 0.000 1.150 259 P CA 1.236 64.475 63.100 0.232 0.000 0.837 259 P CB 0.301 32.244 31.700 0.404 0.000 0.786 260 E N -0.897 119.334 120.200 0.052 0.000 2.333 260 E HA -0.107 4.242 4.350 -0.001 0.000 0.198 260 E C 1.025 177.650 176.600 0.041 0.000 1.007 260 E CA 0.782 57.195 56.400 0.021 0.000 0.845 260 E CB -0.739 28.887 29.700 -0.124 0.000 0.766 260 E HN 0.275 nan 8.360 nan 0.000 0.507 261 N N -0.064 118.659 118.700 0.039 0.000 2.235 261 N HA 0.115 4.855 4.740 -0.001 0.000 0.209 261 N C -0.625 174.905 175.510 0.034 0.000 1.122 261 N CA 0.141 53.215 53.050 0.040 0.000 0.845 261 N CB 0.634 39.142 38.487 0.036 0.000 1.004 261 N HN 0.132 nan 8.380 nan 0.000 0.499 262 L N 1.219 122.466 121.223 0.041 0.000 2.313 262 L HA 0.496 4.836 4.340 -0.001 0.000 0.283 262 L C -0.166 176.696 176.870 -0.013 0.000 1.013 262 L CA -0.505 54.338 54.840 0.005 0.000 0.816 262 L CB 1.807 43.869 42.059 0.005 0.000 1.236 262 L HN -0.235 nan 8.230 nan 0.000 0.419 263 L N 3.690 124.891 121.223 -0.037 0.000 2.332 263 L HA 0.602 4.941 4.340 -0.001 0.000 0.269 263 L C -0.593 176.216 176.870 -0.101 0.000 1.016 263 L CA -0.758 54.052 54.840 -0.049 0.000 0.809 263 L CB 1.990 44.031 42.059 -0.030 0.000 1.280 263 L HN 0.430 nan 8.230 nan 0.000 0.447 264 L N 0.666 121.825 121.223 -0.106 0.000 2.313 264 L HA 0.547 4.887 4.340 -0.001 0.000 0.283 264 L C 0.528 177.326 176.870 -0.121 0.000 1.013 264 L CA -0.493 54.274 54.840 -0.122 0.000 0.816 264 L CB 1.624 43.618 42.059 -0.107 0.000 1.236 264 L HN 0.638 nan 8.230 nan 0.000 0.419 265 G N 0.379 109.118 108.800 -0.102 0.000 2.616 265 G HA2 0.210 4.170 3.960 -0.001 0.000 0.268 265 G HA3 0.210 4.170 3.960 -0.001 0.000 0.268 265 G C 1.029 175.872 174.900 -0.095 0.000 1.213 265 G CA 0.188 45.228 45.100 -0.100 0.000 0.926 265 G HN 0.749 nan 8.290 nan 0.000 0.523 266 S N -0.573 115.074 115.700 -0.089 0.000 2.387 266 S HA -0.108 4.362 4.470 -0.001 0.000 0.230 266 S C 2.084 176.659 174.600 -0.041 0.000 1.035 266 S CA 1.564 59.725 58.200 -0.065 0.000 1.014 266 S CB -0.274 62.904 63.200 -0.036 0.000 0.836 266 S HN 1.112 nan 8.310 nan 0.000 0.466 267 A N 0.326 123.126 122.820 -0.032 0.000 2.337 267 A HA 0.612 4.932 4.320 -0.001 0.000 0.227 267 A C 1.644 179.213 177.584 -0.026 0.000 1.259 267 A CA 0.420 52.442 52.037 -0.025 0.000 0.870 267 A CB -1.080 17.909 19.000 -0.019 0.000 0.927 267 A HN 1.545 nan 8.150 nan 0.000 0.497 268 G N -0.780 108.002 108.800 -0.031 0.000 2.176 268 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.253 268 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.253 268 G C -0.070 174.840 174.900 0.017 0.000 0.979 268 G CA 0.195 45.287 45.100 -0.013 0.000 0.641 268 G HN 0.511 nan 8.290 nan 0.000 0.530 269 E N 0.738 120.933 120.200 -0.009 0.000 2.360 269 E HA 0.361 4.710 4.350 -0.001 0.000 0.269 269 E C 1.200 177.757 176.600 -0.071 0.000 1.022 269 E CA -0.210 56.187 56.400 -0.006 0.000 0.887 269 E CB 1.276 30.969 29.700 -0.012 0.000 0.990 269 E HN 0.723 nan 8.360 nan 0.000 0.426 270 L N 0.811 121.958 121.223 -0.127 0.000 2.421 270 L HA 0.422 4.762 4.340 -0.001 0.000 0.263 270 L C -0.422 176.389 176.870 -0.098 0.000 1.122 270 L CA -0.597 54.108 54.840 -0.224 0.000 0.804 270 L CB 0.833 42.602 42.059 -0.484 0.000 1.150 270 L HN 0.155 nan 8.230 nan 0.000 0.457 271 K N 5.101 125.450 120.400 -0.085 0.000 2.507 271 K HA 0.472 4.791 4.320 -0.001 0.000 0.252 271 K C -0.835 175.756 176.600 -0.015 0.000 0.943 271 K CA -0.484 55.787 56.287 -0.028 0.000 0.808 271 K CB 2.371 34.856 32.500 -0.026 0.000 1.142 271 K HN 0.681 nan 8.250 nan 0.000 0.426 272 I N 2.293 122.874 120.570 0.018 0.000 2.581 272 I HA -0.076 4.093 4.170 -0.001 0.000 0.285 272 I C 1.117 177.243 176.117 0.016 0.000 1.129 272 I CA 0.358 61.671 61.300 0.021 0.000 1.397 272 I CB 0.754 38.806 38.000 0.087 0.000 1.399 272 I HN 0.742 nan 8.210 nan 0.000 0.537 273 A N 4.673 127.490 122.820 -0.005 0.000 2.419 273 A HA 0.116 4.436 4.320 -0.001 0.000 0.233 273 A C 0.440 178.040 177.584 0.026 0.000 1.217 273 A CA -0.283 51.748 52.037 -0.009 0.000 0.944 273 A CB -0.230 18.799 19.000 0.049 0.000 1.025 273 A HN 0.771 nan 8.150 nan 0.000 0.524 274 D N -1.821 118.592 120.400 0.022 0.000 2.414 274 D HA 0.315 4.955 4.640 -0.001 0.000 0.251 274 D C -0.295 176.016 176.300 0.018 0.000 1.252 274 D CA -0.343 53.721 54.000 0.105 0.000 0.999 274 D CB 0.102 40.920 40.800 0.030 0.000 1.093 274 D HN 0.011 nan 8.370 nan 0.000 0.515 275 F N -1.427 118.470 119.950 -0.089 0.000 2.805 275 F HA 0.383 4.910 4.527 -0.001 0.000 0.317 275 F C 1.487 177.076 175.800 -0.352 0.000 1.146 275 F CA -0.871 57.091 58.000 -0.064 0.000 1.265 275 F CB 0.703 39.751 39.000 0.080 0.000 0.992 275 F HN 0.523 nan 8.300 nan 0.000 0.511 276 G N 0.373 108.831 108.800 -0.571 0.000 2.991 276 G HA2 0.048 4.008 3.960 -0.001 0.000 0.262 276 G HA3 0.048 4.008 3.960 -0.001 0.000 0.262 276 G C -0.491 173.848 174.900 -0.934 0.000 0.765 276 G CA -0.122 44.555 45.100 -0.705 0.000 2.051 276 G HN 0.285 nan 8.290 nan 0.000 0.602 277 W N 0.186 121.388 121.300 -0.165 0.000 2.576 277 W HA 0.671 5.331 4.660 -0.000 0.000 0.360 277 W C 0.463 176.950 176.519 -0.054 0.000 1.109 277 W CA -0.591 56.698 57.345 -0.093 0.000 1.237 277 W CB 1.797 31.244 29.460 -0.021 0.000 1.369 277 W HN 0.395 nan 8.180 nan 0.000 0.609 278 S N -0.956 114.882 115.700 0.229 0.000 2.595 278 S HA 0.712 5.182 4.470 -0.001 0.000 0.270 278 S C -1.444 173.217 174.600 0.101 0.000 1.145 278 S CA -1.091 57.180 58.200 0.118 0.000 0.825 278 S CB 0.943 64.173 63.200 0.051 0.000 1.107 278 S HN 0.273 nan 8.310 nan 0.000 0.461 293 L N 1.264 122.505 121.223 0.030 0.000 1.971 293 L HA -0.164 4.176 4.340 -0.001 0.000 0.215 293 L C 2.469 179.326 176.870 -0.022 0.000 1.072 293 L CA 2.329 57.172 54.840 0.005 0.000 0.758 293 L CB -1.109 40.938 42.059 -0.020 0.000 0.889 293 L HN 0.737 nan 8.230 nan 0.000 0.433 294 D N -0.439 119.902 120.400 -0.099 0.000 4.399 294 D HA -0.293 4.347 4.640 -0.001 0.000 0.192 294 D C 1.489 177.510 176.300 -0.465 0.000 1.389 294 D CA 2.379 56.190 54.000 -0.315 0.000 0.883 294 D CB -0.399 40.120 40.800 -0.469 0.000 0.872 294 D HN 0.499 nan 8.370 nan 0.000 0.589 295 Y N -0.240 120.055 120.300 -0.008 0.000 2.524 295 Y HA 0.341 4.890 4.550 -0.001 0.000 0.266 295 Y C 0.792 176.687 175.900 -0.008 0.000 1.180 295 Y CA -0.297 57.798 58.100 -0.008 0.000 1.244 295 Y CB 0.323 38.778 38.460 -0.009 0.000 1.125 295 Y HN -0.135 nan 8.280 nan 0.000 0.524 296 L N 3.184 124.446 121.223 0.065 0.000 2.322 296 L HA 0.440 4.780 4.340 -0.001 0.000 0.279 296 L C -2.043 174.835 176.870 0.014 0.000 1.036 296 L CA -2.065 52.801 54.840 0.042 0.000 0.807 296 L CB 1.301 43.378 42.059 0.031 0.000 1.226 296 L HN -0.058 nan 8.230 nan 0.000 0.433 297 P HA 0.302 nan 4.420 nan 0.000 0.278 297 P C -2.454 174.850 177.300 0.007 0.000 1.258 297 P CA -1.634 61.472 63.100 0.009 0.000 0.811 297 P CB 0.630 32.338 31.700 0.014 0.000 1.063 298 P HA -0.202 nan 4.420 nan 0.000 0.214 298 P C 1.487 178.796 177.300 0.016 0.000 1.163 298 P CA 1.664 64.769 63.100 0.009 0.000 0.889 298 P CB -0.228 31.477 31.700 0.008 0.000 0.790 299 E N -0.507 119.706 120.200 0.022 0.000 2.393 299 E HA -0.195 4.154 4.350 -0.001 0.000 0.201 299 E C 1.490 178.100 176.600 0.016 0.000 1.025 299 E CA 1.277 57.694 56.400 0.028 0.000 0.856 299 E CB -0.913 28.812 29.700 0.042 0.000 0.771 299 E HN 0.354 nan 8.360 nan 0.000 0.526 300 M N 0.446 120.053 119.600 0.011 0.000 2.414 300 M HA 0.234 4.714 4.480 -0.001 0.000 0.251 300 M C 1.858 178.157 176.300 -0.001 0.000 1.116 300 M CA 0.221 55.523 55.300 0.005 0.000 1.056 300 M CB 0.426 33.031 32.600 0.008 0.000 1.388 300 M HN 0.138 nan 8.290 nan 0.000 0.487 301 I N -3.827 116.743 120.570 -0.000 0.000 4.081 301 I HA 0.225 4.395 4.170 -0.001 0.000 0.333 301 I C 0.963 177.078 176.117 -0.004 0.000 1.413 301 I CA -0.089 61.207 61.300 -0.006 0.000 1.110 301 I CB -0.110 37.886 38.000 -0.007 0.000 1.082 301 I HN 0.062 nan 8.210 nan 0.000 0.402 302 E N 2.801 123.002 120.200 0.002 0.000 2.038 302 E HA -0.109 4.241 4.350 -0.001 0.000 0.195 302 E C 1.598 178.202 176.600 0.007 0.000 1.000 302 E CA 1.383 57.791 56.400 0.014 0.000 0.803 302 E CB -0.250 29.453 29.700 0.004 0.000 0.750 302 E HN 0.632 nan 8.360 nan 0.000 0.448 303 G N 0.546 109.334 108.800 -0.021 0.000 3.316 303 G HA2 0.061 4.021 3.960 -0.001 0.000 0.255 303 G HA3 0.061 4.021 3.960 -0.001 0.000 0.255 303 G C 0.427 175.314 174.900 -0.021 0.000 0.880 303 G CA -0.271 44.814 45.100 -0.025 0.000 1.956 303 G HN 0.069 nan 8.290 nan 0.000 0.634 304 R N 0.205 120.691 120.500 -0.023 0.000 2.504 304 R HA 0.181 4.520 4.340 -0.001 0.000 0.341 304 R C 0.897 177.154 176.300 -0.071 0.000 0.905 304 R CA -0.307 55.771 56.100 -0.038 0.000 1.133 304 R CB 0.282 30.563 30.300 -0.031 0.000 1.704 304 R HN 0.313 nan 8.270 nan 0.000 0.503 305 M N -0.315 119.219 119.600 -0.109 0.000 2.296 305 M HA 0.235 4.715 4.480 -0.001 0.000 0.291 305 M C -0.145 175.882 176.300 -0.455 0.000 1.013 305 M CA 0.823 55.964 55.300 -0.265 0.000 1.089 305 M CB 0.634 33.051 32.600 -0.305 0.000 1.677 305 M HN 0.038 nan 8.290 nan 0.000 0.584 306 H N 0.980 120.045 119.070 -0.009 0.000 2.429 306 H HA 0.282 4.838 4.556 -0.001 0.000 0.231 306 H C -0.244 175.079 175.328 -0.009 0.000 1.416 306 H CA -0.310 55.736 56.048 -0.002 0.000 1.443 306 H CB 0.624 30.389 29.762 0.006 0.000 1.591 306 H HN 0.137 nan 8.280 nan 0.000 0.507 307 D N 0.439 120.876 120.400 0.061 0.000 2.183 307 D HA -0.080 4.559 4.640 -0.001 0.000 0.205 307 D C 1.040 177.372 176.300 0.053 0.000 0.962 307 D CA 0.551 54.572 54.000 0.034 0.000 0.849 307 D CB 0.539 41.338 40.800 -0.001 0.000 0.978 307 D HN 0.550 nan 8.370 nan 0.000 0.488 308 E N 0.616 120.846 120.200 0.051 0.000 2.533 308 E HA -0.056 4.293 4.350 -0.001 0.000 0.201 308 E C 1.034 177.728 176.600 0.157 0.000 1.097 308 E CA 0.382 56.819 56.400 0.062 0.000 0.887 308 E CB 0.217 29.900 29.700 -0.028 0.000 0.855 308 E HN 0.046 nan 8.360 nan 0.000 0.540 309 K N -0.109 120.371 120.400 0.133 0.000 2.358 309 K HA 0.102 4.422 4.320 -0.001 0.000 0.200 309 K C 1.526 178.198 176.600 0.120 0.000 1.030 309 K CA 0.087 56.449 56.287 0.126 0.000 1.097 309 K CB 0.813 33.365 32.500 0.087 0.000 0.862 309 K HN 0.005 nan 8.250 nan 0.000 0.534 310 V N 2.436 122.412 119.914 0.104 0.000 2.379 310 V HA -0.216 3.904 4.120 -0.001 0.000 0.245 310 V C 1.686 177.870 176.094 0.150 0.000 1.044 310 V CA 2.089 64.443 62.300 0.090 0.000 1.036 310 V CB -0.367 31.482 31.823 0.042 0.000 0.664 310 V HN 0.309 nan 8.190 nan 0.000 0.453 311 D N 0.507 120.995 120.400 0.146 0.000 2.178 311 D HA -0.180 4.460 4.640 -0.001 0.000 0.201 311 D C 2.076 178.433 176.300 0.095 0.000 0.980 311 D CA 1.045 55.111 54.000 0.110 0.000 0.842 311 D CB -0.469 40.384 40.800 0.088 0.000 0.948 311 D HN 0.386 nan 8.370 nan 0.000 0.472 312 L N -0.216 121.080 121.223 0.122 0.000 2.046 312 L HA -0.100 4.240 4.340 -0.001 0.000 0.208 312 L C 2.629 179.563 176.870 0.107 0.000 1.077 312 L CA 0.988 55.887 54.840 0.099 0.000 0.747 312 L CB -0.463 41.663 42.059 0.111 0.000 0.896 312 L HN 0.203 nan 8.230 nan 0.000 0.432 313 W N 0.604 121.888 121.300 -0.026 0.000 2.388 313 W HA -0.167 4.492 4.660 -0.001 0.000 0.294 313 W C 2.343 178.825 176.519 -0.061 0.000 1.212 313 W CA 1.603 58.918 57.345 -0.050 0.000 1.271 313 W CB -0.209 29.209 29.460 -0.070 0.000 1.126 313 W HN 0.099 nan 8.180 nan 0.000 0.535 314 S N 1.471 117.272 115.700 0.169 0.000 2.368 314 S HA -0.180 4.289 4.470 -0.001 0.000 0.225 314 S C 2.002 176.547 174.600 -0.092 0.000 1.030 314 S CA 1.607 59.836 58.200 0.048 0.000 0.999 314 S CB -0.675 62.562 63.200 0.061 0.000 0.844 314 S HN 0.246 nan 8.310 nan 0.000 0.459 315 L N 0.816 121.998 121.223 -0.068 0.000 2.079 315 L HA -0.112 4.228 4.340 -0.001 0.000 0.210 315 L C 2.712 179.493 176.870 -0.148 0.000 1.081 315 L CA 1.261 56.052 54.840 -0.081 0.000 0.752 315 L CB -1.120 40.924 42.059 -0.024 0.000 0.896 315 L HN 0.427 nan 8.230 nan 0.000 0.433 316 G N -0.492 108.182 108.800 -0.210 0.000 2.418 316 G HA2 -0.178 3.782 3.960 -0.001 0.000 0.217 316 G HA3 -0.178 3.782 3.960 -0.001 0.000 0.217 316 G C 1.574 176.245 174.900 -0.382 0.000 1.158 316 G CA 0.866 45.784 45.100 -0.303 0.000 0.771 316 G HN 0.209 nan 8.290 nan 0.000 0.545 317 V N 0.882 120.528 119.914 -0.447 0.000 2.358 317 V HA -0.065 4.055 4.120 -0.001 0.000 0.246 317 V C 2.874 178.785 176.094 -0.304 0.000 1.047 317 V CA 1.151 63.210 62.300 -0.403 0.000 1.035 317 V CB -0.403 31.243 31.823 -0.295 0.000 0.658 317 V HN 0.315 nan 8.190 nan 0.000 0.452 318 L N -0.686 120.328 121.223 -0.347 0.000 2.027 318 L HA -0.231 4.109 4.340 -0.001 0.000 0.206 318 L C 2.719 179.131 176.870 -0.762 0.000 1.074 318 L CA 1.770 56.224 54.840 -0.643 0.000 0.745 318 L CB -0.712 40.995 42.059 -0.587 0.000 0.898 318 L HN 0.465 nan 8.230 nan 0.000 0.433 319 C N -0.712 118.392 119.300 -0.326 0.000 2.413 319 C HA -0.269 4.190 4.460 -0.001 0.000 0.276 319 C C 2.858 177.839 174.990 -0.015 0.000 1.236 319 C CA 0.906 59.887 59.018 -0.062 0.000 1.735 319 C CB -0.690 27.044 27.740 -0.011 0.000 2.031 319 C HN 0.585 nan 8.230 nan 0.000 0.474 320 Y N 1.481 121.659 120.300 -0.202 0.000 2.145 320 Y HA -0.146 4.404 4.550 -0.000 0.000 0.286 320 Y C 2.449 178.289 175.900 -0.099 0.000 1.145 320 Y CA 2.454 60.462 58.100 -0.154 0.000 1.148 320 Y CB -0.677 37.598 38.460 -0.307 0.000 0.981 320 Y HN 0.506 nan 8.280 nan 0.000 0.507 321 E N -0.751 119.505 120.200 0.092 0.000 2.106 321 E HA -0.183 4.167 4.350 -0.001 0.000 0.192 321 E C 1.909 178.581 176.600 0.121 0.000 0.984 321 E CA 1.269 57.717 56.400 0.080 0.000 0.806 321 E CB -0.318 29.391 29.700 0.016 0.000 0.750 321 E HN 0.424 nan 8.360 nan 0.000 0.458 322 F N 0.785 120.780 119.950 0.075 0.000 2.134 322 F HA -0.125 4.402 4.527 -0.000 0.000 0.299 322 F C 2.114 177.934 175.800 0.033 0.000 1.097 322 F CA 0.897 58.955 58.000 0.096 0.000 1.264 322 F CB -0.673 38.568 39.000 0.403 0.000 1.001 322 F HN 0.099 nan 8.300 nan 0.000 0.479 323 L N -1.377 119.992 121.223 0.244 0.000 2.209 323 L HA -0.068 4.272 4.340 -0.001 0.000 0.207 323 L C 2.099 179.060 176.870 0.151 0.000 1.094 323 L CA 0.438 55.386 54.840 0.181 0.000 0.790 323 L CB -0.452 41.687 42.059 0.133 0.000 0.932 323 L HN -0.095 nan 8.230 nan 0.000 0.447 324 V N -0.935 118.964 119.914 -0.025 0.000 2.825 324 V HA 0.237 4.357 4.120 -0.001 0.000 0.246 324 V C 1.672 177.804 176.094 0.062 0.000 1.068 324 V CA 1.175 63.485 62.300 0.016 0.000 1.088 324 V CB 0.179 31.762 31.823 -0.400 0.000 0.733 324 V HN 0.617 nan 8.190 nan 0.000 0.468 325 G N 1.080 109.886 108.800 0.010 0.000 2.195 325 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.224 325 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.224 325 G C 0.188 175.109 174.900 0.036 0.000 0.990 325 G CA 0.233 45.323 45.100 -0.015 0.000 0.639 325 G HN 0.702 nan 8.290 nan 0.000 0.514 326 K N -0.602 119.852 120.400 0.091 0.000 2.532 326 K HA 0.658 4.978 4.320 -0.001 0.000 0.265 326 K C -3.553 173.140 176.600 0.155 0.000 0.948 326 K CA -2.186 54.169 56.287 0.112 0.000 0.842 326 K CB 2.680 35.238 32.500 0.097 0.000 1.392 326 K HN -0.027 nan 8.250 nan 0.000 0.436 327 P HA 0.058 nan 4.420 nan 0.000 0.269 327 P C -1.911 175.219 177.300 -0.282 0.000 1.209 327 P CA -1.164 61.895 63.100 -0.067 0.000 0.776 327 P CB 0.309 31.983 31.700 -0.044 0.000 0.876 328 P HA -0.111 nan 4.420 nan 0.000 0.220 328 P C 0.348 176.991 177.300 -1.094 0.000 1.148 328 P CA 1.729 63.921 63.100 -1.513 0.000 0.803 328 P CB -0.071 30.185 31.700 -2.408 0.000 0.782 329 F N -0.379 119.399 119.950 -0.286 0.000 2.639 329 F HA 0.299 4.826 4.527 -0.001 0.000 0.302 329 F C 1.083 176.829 175.800 -0.090 0.000 1.097 329 F CA -1.085 56.827 58.000 -0.147 0.000 1.294 329 F CB -0.542 38.389 39.000 -0.116 0.000 1.027 329 F HN -0.119 nan 8.300 nan 0.000 0.550 330 E N 1.933 122.137 120.200 0.006 0.000 2.465 330 E HA 0.371 4.720 4.350 -0.001 0.000 0.260 330 E C -0.175 176.447 176.600 0.036 0.000 0.980 330 E CA 0.001 56.417 56.400 0.027 0.000 0.927 330 E CB 0.612 30.322 29.700 0.017 0.000 0.934 330 E HN 0.308 nan 8.360 nan 0.000 0.459 331 A N 4.289 127.134 122.820 0.042 0.000 2.475 331 A HA 0.322 4.642 4.320 -0.001 0.000 0.281 331 A C 0.395 178.006 177.584 0.044 0.000 1.263 331 A CA -0.696 51.368 52.037 0.045 0.000 0.776 331 A CB 1.096 20.128 19.000 0.053 0.000 1.347 331 A HN 0.780 nan 8.150 nan 0.000 0.443 332 N N -0.103 118.625 118.700 0.046 0.000 2.216 332 N HA -0.041 4.699 4.740 -0.001 0.000 0.183 332 N C 0.801 176.346 175.510 0.057 0.000 1.017 332 N CA 1.959 55.037 53.050 0.047 0.000 0.861 332 N CB -0.160 38.352 38.487 0.042 0.000 0.986 332 N HN 0.886 nan 8.380 nan 0.000 0.428 333 T N -3.582 111.014 114.554 0.070 0.000 2.910 333 T HA 0.227 4.576 4.350 -0.001 0.000 0.287 333 T C 0.747 175.527 174.700 0.132 0.000 1.050 333 T CA -0.806 61.354 62.100 0.099 0.000 1.011 333 T CB 1.461 70.387 68.868 0.096 0.000 1.195 333 T HN 0.037 nan 8.240 nan 0.000 0.540 334 Y N 0.795 121.115 120.300 0.033 0.000 2.293 334 Y HA -0.002 4.548 4.550 -0.001 0.000 0.291 334 Y C 2.642 178.578 175.900 0.061 0.000 1.137 334 Y CA 1.590 59.714 58.100 0.040 0.000 1.202 334 Y CB -0.332 38.141 38.460 0.020 0.000 0.990 334 Y HN 0.723 nan 8.280 nan 0.000 0.537 335 Q N -0.026 119.959 119.800 0.307 0.000 2.016 335 Q HA -0.184 4.155 4.340 -0.001 0.000 0.200 335 Q C 2.071 178.173 176.000 0.169 0.000 0.978 335 Q CA 1.771 57.711 55.803 0.228 0.000 0.833 335 Q CB -0.269 28.552 28.738 0.138 0.000 0.895 335 Q HN 0.582 nan 8.270 nan 0.000 0.427 336 E N 0.298 120.570 120.200 0.119 0.000 2.097 336 E HA -0.189 4.161 4.350 -0.001 0.000 0.196 336 E C 2.053 178.699 176.600 0.077 0.000 1.000 336 E CA 1.693 58.147 56.400 0.091 0.000 0.804 336 E CB -0.106 29.636 29.700 0.071 0.000 0.740 336 E HN 0.310 nan 8.360 nan 0.000 0.454 337 T N 0.367 114.950 114.554 0.049 0.000 2.746 337 T HA -0.203 4.147 4.350 -0.001 0.000 0.267 337 T C 1.598 176.266 174.700 -0.053 0.000 1.039 337 T CA 1.361 63.458 62.100 -0.005 0.000 1.142 337 T CB -0.454 68.370 68.868 -0.072 0.000 0.866 337 T HN 0.317 nan 8.240 nan 0.000 0.444 338 Y N 2.320 122.530 120.300 -0.151 0.000 2.165 338 Y HA -0.177 4.373 4.550 -0.001 0.000 0.286 338 Y C 2.159 177.995 175.900 -0.106 0.000 1.155 338 Y CA 1.367 59.376 58.100 -0.152 0.000 1.164 338 Y CB -0.218 38.198 38.460 -0.074 0.000 0.978 338 Y HN 0.075 nan 8.280 nan 0.000 0.513 339 K N -0.090 120.339 120.400 0.049 0.000 2.026 339 K HA -0.160 4.159 4.320 -0.001 0.000 0.208 339 K C 2.211 178.744 176.600 -0.111 0.000 1.048 339 K CA 1.519 57.794 56.287 -0.021 0.000 0.929 339 K CB -0.187 32.375 32.500 0.104 0.000 0.713 339 K HN 0.253 nan 8.250 nan 0.000 0.439 340 R N 0.865 121.337 120.500 -0.047 0.000 2.083 340 R HA -0.102 4.237 4.340 -0.001 0.000 0.237 340 R C 2.343 178.530 176.300 -0.188 0.000 1.137 340 R CA 1.348 57.468 56.100 0.033 0.000 0.951 340 R CB -0.670 29.747 30.300 0.194 0.000 0.851 340 R HN 0.292 nan 8.270 nan 0.000 0.434 341 I N 0.186 120.450 120.570 -0.509 0.000 2.163 341 I HA -0.250 3.919 4.170 -0.001 0.000 0.240 341 I C 2.694 178.442 176.117 -0.614 0.000 1.081 341 I CA 1.186 61.919 61.300 -0.945 0.000 1.353 341 I CB -0.464 37.097 38.000 -0.732 0.000 1.054 341 I HN 0.133 nan 8.210 nan 0.000 0.407 342 S N 0.887 116.238 115.700 -0.582 0.000 2.359 342 S HA -0.176 4.294 4.470 -0.001 0.000 0.224 342 S C 2.033 176.542 174.600 -0.151 0.000 1.035 342 S CA 1.496 59.411 58.200 -0.474 0.000 1.018 342 S CB -0.182 62.605 63.200 -0.688 0.000 0.876 342 S HN 0.344 nan 8.310 nan 0.000 0.448 343 R N 0.320 120.752 120.500 -0.112 0.000 2.310 343 R HA 0.181 4.521 4.340 -0.001 0.000 0.202 343 R C 0.326 176.677 176.300 0.085 0.000 0.933 343 R CA 0.416 56.521 56.100 0.009 0.000 1.054 343 R CB -0.046 30.259 30.300 0.008 0.000 0.985 343 R HN 0.279 nan 8.270 nan 0.000 0.489 344 V N 2.793 122.751 119.914 0.073 0.000 5.830 344 V HA -0.261 3.858 4.120 -0.001 0.000 0.274 344 V C -0.103 176.238 176.094 0.412 0.000 0.632 344 V CA 1.629 64.099 62.300 0.284 0.000 0.594 344 V CB -2.089 29.943 31.823 0.349 0.000 0.249 344 V HN 0.535 nan 8.190 nan 0.000 0.697 345 E N 2.140 122.594 120.200 0.424 0.000 2.155 345 E HA 0.759 5.108 4.350 -0.001 0.000 0.264 345 E C -0.548 176.229 176.600 0.295 0.000 0.886 345 E CA -0.849 55.700 56.400 0.248 0.000 0.752 345 E CB 2.035 31.798 29.700 0.104 0.000 1.133 345 E HN 0.647 nan 8.360 nan 0.000 0.414 346 F N -0.526 119.341 119.950 -0.138 0.000 2.711 346 F HA 0.715 5.242 4.527 -0.001 0.000 0.313 346 F C -1.257 174.313 175.800 -0.383 0.000 1.141 346 F CA -0.892 56.878 58.000 -0.383 0.000 0.941 346 F CB 1.510 40.002 39.000 -0.847 0.000 1.349 346 F HN 0.358 nan 8.300 nan 0.000 0.464 347 T N -1.236 113.104 114.554 -0.357 0.000 2.906 347 T HA 0.736 5.085 4.350 -0.001 0.000 0.295 347 T C -1.399 173.196 174.700 -0.175 0.000 1.075 347 T CA -0.610 61.273 62.100 -0.362 0.000 1.005 347 T CB 1.774 70.543 68.868 -0.166 0.000 1.136 347 T HN 0.493 nan 8.240 nan 0.000 0.498 348 F N 1.720 121.660 119.950 -0.016 0.000 2.408 348 F HA 0.553 5.080 4.527 -0.001 0.000 0.344 348 F C -1.976 173.708 175.800 -0.194 0.000 1.112 348 F CA -2.106 55.868 58.000 -0.043 0.000 1.096 348 F CB 0.669 39.609 39.000 -0.100 0.000 1.129 348 F HN 0.391 nan 8.300 nan 0.000 0.486 349 P HA 0.082 nan 4.420 nan 0.000 0.272 349 P C 0.273 177.348 177.300 -0.375 0.000 1.240 349 P CA -0.142 62.751 63.100 -0.345 0.000 0.791 349 P CB 0.770 32.036 31.700 -0.724 0.000 0.978 350 D N 0.122 120.392 120.400 -0.217 0.000 2.149 350 D HA -0.151 4.489 4.640 -0.001 0.000 0.198 350 D C 1.482 177.716 176.300 -0.109 0.000 0.990 350 D CA 1.371 55.303 54.000 -0.112 0.000 0.839 350 D CB -0.519 40.277 40.800 -0.006 0.000 0.948 350 D HN 0.493 nan 8.370 nan 0.000 0.460 351 F N -0.042 119.897 119.950 -0.019 0.000 2.699 351 F HA 0.088 4.615 4.527 -0.000 0.000 0.298 351 F C 0.649 176.422 175.800 -0.046 0.000 1.154 351 F CA -0.226 57.758 58.000 -0.027 0.000 1.457 351 F CB -0.944 38.044 39.000 -0.021 0.000 1.106 351 F HN -0.334 nan 8.300 nan 0.000 0.585 352 V N 3.398 123.105 119.914 -0.345 0.000 2.439 352 V HA 0.106 4.226 4.120 -0.001 0.000 0.271 352 V C 1.038 177.002 176.094 -0.217 0.000 1.040 352 V CA -0.245 61.904 62.300 -0.252 0.000 1.002 352 V CB -0.113 31.469 31.823 -0.401 0.000 1.000 352 V HN 0.532 nan 8.190 nan 0.000 0.477 353 T N 2.049 116.532 114.554 -0.117 0.000 2.734 353 T HA 0.060 4.410 4.350 -0.001 0.000 0.314 353 T C 1.102 175.654 174.700 -0.246 0.000 1.057 353 T CA 0.240 62.277 62.100 -0.105 0.000 1.047 353 T CB 0.573 69.462 68.868 0.035 0.000 0.991 353 T HN 0.798 nan 8.240 nan 0.000 0.540 354 E N 0.553 120.650 120.200 -0.171 0.000 2.285 354 E HA 0.064 4.414 4.350 -0.001 0.000 0.194 354 E C 2.262 178.731 176.600 -0.219 0.000 0.997 354 E CA 0.589 56.859 56.400 -0.216 0.000 0.845 354 E CB -0.698 28.929 29.700 -0.122 0.000 0.782 354 E HN 0.828 nan 8.360 nan 0.000 0.491 355 G N 2.058 110.771 108.800 -0.144 0.000 2.421 355 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.216 355 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.216 355 G C 1.792 176.324 174.900 -0.614 0.000 1.171 355 G CA 1.005 46.056 45.100 -0.081 0.000 0.775 355 G HN 0.386 nan 8.290 nan 0.000 0.543 356 A N 0.763 122.867 122.820 -1.193 0.000 1.898 356 A HA 0.037 4.357 4.320 -0.001 0.000 0.216 356 A C 2.443 179.537 177.584 -0.816 0.000 1.181 356 A CA 1.483 52.621 52.037 -1.499 0.000 0.620 356 A CB -0.344 17.856 19.000 -1.333 0.000 0.819 356 A HN 0.355 nan 8.150 nan 0.000 0.442 357 R N -0.529 119.515 120.500 -0.760 0.000 2.096 357 R HA -0.161 4.179 4.340 -0.001 0.000 0.235 357 R C 1.943 178.031 176.300 -0.352 0.000 1.127 357 R CA 1.571 57.127 56.100 -0.907 0.000 0.968 357 R CB -0.473 29.176 30.300 -1.086 0.000 0.861 357 R HN 0.670 nan 8.270 nan 0.000 0.440 358 D N 0.681 120.931 120.400 -0.250 0.000 2.084 358 D HA -0.179 4.461 4.640 -0.001 0.000 0.194 358 D C 1.812 178.117 176.300 0.008 0.000 0.990 358 D CA 0.893 54.872 54.000 -0.036 0.000 0.826 358 D CB 0.015 40.868 40.800 0.088 0.000 0.971 358 D HN 0.023 nan 8.370 nan 0.000 0.453 359 L N 0.385 121.502 121.223 -0.176 0.000 2.017 359 L HA -0.071 4.269 4.340 -0.001 0.000 0.208 359 L C 2.152 178.946 176.870 -0.125 0.000 1.073 359 L CA 1.590 56.261 54.840 -0.280 0.000 0.745 359 L CB -0.573 41.088 42.059 -0.663 0.000 0.894 359 L HN 0.233 nan 8.230 nan 0.000 0.432 360 I N -1.126 119.371 120.570 -0.121 0.000 2.226 360 I HA -0.283 3.887 4.170 -0.001 0.000 0.245 360 I C 2.374 178.540 176.117 0.082 0.000 1.100 360 I CA 1.365 62.658 61.300 -0.011 0.000 1.374 360 I CB -0.454 37.642 38.000 0.161 0.000 1.057 360 I HN 0.214 nan 8.210 nan 0.000 0.413 361 S N 0.298 116.131 115.700 0.221 0.000 2.399 361 S HA -0.096 4.374 4.470 -0.001 0.000 0.231 361 S C 2.067 176.749 174.600 0.136 0.000 1.022 361 S CA 0.935 59.288 58.200 0.256 0.000 0.983 361 S CB -0.160 63.192 63.200 0.253 0.000 0.803 361 S HN 0.322 nan 8.310 nan 0.000 0.480 362 R N 0.923 121.478 120.500 0.093 0.000 2.092 362 R HA 0.103 4.443 4.340 -0.001 0.000 0.231 362 R C 2.112 178.449 176.300 0.062 0.000 1.119 362 R CA 0.828 56.979 56.100 0.084 0.000 0.970 362 R CB -0.847 29.514 30.300 0.101 0.000 0.864 362 R HN 0.418 nan 8.270 nan 0.000 0.440 363 L N 0.434 121.665 121.223 0.013 0.000 2.131 363 L HA 0.024 4.364 4.340 -0.001 0.000 0.206 363 L C 1.255 178.081 176.870 -0.073 0.000 1.087 363 L CA 0.518 55.344 54.840 -0.025 0.000 0.767 363 L CB -0.159 41.849 42.059 -0.085 0.000 0.917 363 L HN 0.001 nan 8.230 nan 0.000 0.441 364 L N 1.394 122.508 121.223 -0.180 0.000 2.583 364 L HA 0.130 4.469 4.340 -0.001 0.000 0.239 364 L C -0.113 176.815 176.870 0.098 0.000 1.347 364 L CA 0.173 54.794 54.840 -0.366 0.000 1.246 364 L CB -0.628 41.054 42.059 -0.628 0.000 1.496 364 L HN 0.105 nan 8.230 nan 0.000 0.413 365 K N -0.530 120.030 120.400 0.266 0.000 2.164 365 K HA 0.187 4.507 4.320 -0.001 0.000 0.258 365 K C 0.868 177.690 176.600 0.369 0.000 0.951 365 K CA -0.757 55.708 56.287 0.296 0.000 0.844 365 K CB 1.865 34.473 32.500 0.179 0.000 1.099 365 K HN 0.109 nan 8.250 nan 0.000 0.435 366 H N 2.662 121.854 119.070 0.203 0.000 2.289 366 H HA -0.172 4.384 4.556 -0.000 0.000 0.296 366 H C -0.156 175.161 175.328 -0.019 0.000 1.091 366 H CA 1.644 57.727 56.048 0.058 0.000 1.274 366 H CB 0.401 30.171 29.762 0.014 0.000 1.364 366 H HN 0.635 nan 8.280 nan 0.000 0.490 367 N N 0.890 119.743 118.700 0.255 0.000 2.408 367 N HA 0.011 4.750 4.740 -0.001 0.000 0.257 367 N C -1.933 173.573 175.510 -0.006 0.000 1.064 367 N CA -1.494 51.634 53.050 0.130 0.000 0.952 367 N CB 1.624 40.164 38.487 0.089 0.000 1.093 367 N HN 0.025 nan 8.380 nan 0.000 0.490 368 P HA -0.229 nan 4.420 nan 0.000 0.217 368 P C 1.202 178.305 177.300 -0.328 0.000 1.151 368 P CA 1.405 64.411 63.100 -0.157 0.000 0.849 368 P CB 0.135 31.772 31.700 -0.105 0.000 0.787 369 S N -1.676 113.656 115.700 -0.613 0.000 2.447 369 S HA -0.158 4.312 4.470 -0.001 0.000 0.233 369 S C 1.837 176.346 174.600 -0.152 0.000 1.006 369 S CA 0.790 58.688 58.200 -0.504 0.000 0.957 369 S CB -0.928 62.029 63.200 -0.405 0.000 0.773 369 S HN 0.107 nan 8.310 nan 0.000 0.507 370 Q N 1.123 120.874 119.800 -0.082 0.000 2.311 370 Q HA 0.188 4.528 4.340 -0.001 0.000 0.203 370 Q C 0.496 176.512 176.000 0.027 0.000 0.954 370 Q CA 0.537 56.340 55.803 -0.001 0.000 0.885 370 Q CB -0.192 28.567 28.738 0.036 0.000 0.963 370 Q HN 0.651 nan 8.270 nan 0.000 0.471 371 R N 2.076 122.591 120.500 0.025 0.000 2.543 371 R HA 0.147 4.487 4.340 -0.001 0.000 0.277 371 R C -2.000 174.333 176.300 0.054 0.000 1.074 371 R CA -1.316 54.819 56.100 0.058 0.000 1.076 371 R CB -0.115 30.234 30.300 0.081 0.000 0.993 371 R HN 0.052 nan 8.270 nan 0.000 0.459 372 P HA -0.036 nan 4.420 nan 0.000 0.272 372 P C -0.447 176.900 177.300 0.078 0.000 1.254 372 P CA 0.026 63.169 63.100 0.073 0.000 0.795 372 P CB 0.613 32.365 31.700 0.087 0.000 1.022 373 M N 0.324 119.972 119.600 0.080 0.000 2.283 373 M HA 0.191 4.670 4.480 -0.001 0.000 0.314 373 M C 1.906 178.253 176.300 0.078 0.000 1.153 373 M CA -0.699 54.653 55.300 0.087 0.000 1.084 373 M CB 0.228 32.878 32.600 0.084 0.000 1.468 373 M HN 0.288 nan 8.290 nan 0.000 0.474 374 L N 0.654 121.917 121.223 0.067 0.000 2.079 374 L HA -0.230 4.110 4.340 -0.001 0.000 0.210 374 L C 2.520 179.422 176.870 0.052 0.000 1.081 374 L CA 1.463 56.324 54.840 0.036 0.000 0.752 374 L CB -0.598 41.444 42.059 -0.027 0.000 0.896 374 L HN 0.725 nan 8.230 nan 0.000 0.433 375 R N 0.502 121.038 120.500 0.059 0.000 2.091 375 R HA -0.210 4.130 4.340 -0.001 0.000 0.238 375 R C 2.081 178.425 176.300 0.073 0.000 1.136 375 R CA 1.789 57.927 56.100 0.062 0.000 0.959 375 R CB -0.111 30.226 30.300 0.060 0.000 0.856 375 R HN 0.429 nan 8.270 nan 0.000 0.437 376 E N -0.360 119.888 120.200 0.080 0.000 2.110 376 E HA -0.159 4.191 4.350 -0.001 0.000 0.193 376 E C 1.993 178.675 176.600 0.137 0.000 0.988 376 E CA 1.428 57.885 56.400 0.095 0.000 0.804 376 E CB 0.078 29.833 29.700 0.091 0.000 0.745 376 E HN 0.186 nan 8.360 nan 0.000 0.458 377 V N 1.439 121.428 119.914 0.125 0.000 2.307 377 V HA -0.239 3.880 4.120 -0.001 0.000 0.245 377 V C 2.271 178.454 176.094 0.148 0.000 1.045 377 V CA 1.436 63.820 62.300 0.141 0.000 1.024 377 V CB -0.387 31.492 31.823 0.092 0.000 0.651 377 V HN 0.274 nan 8.190 nan 0.000 0.449 378 L N -0.315 120.972 121.223 0.107 0.000 2.265 378 L HA -0.150 4.190 4.340 -0.001 0.000 0.215 378 L C 2.168 179.096 176.870 0.098 0.000 1.117 378 L CA 1.449 56.344 54.840 0.092 0.000 0.782 378 L CB -0.428 41.672 42.059 0.069 0.000 0.914 378 L HN 0.432 nan 8.230 nan 0.000 0.441 379 E N -2.197 118.068 120.200 0.108 0.000 2.481 379 E HA 0.006 4.356 4.350 -0.001 0.000 0.198 379 E C 0.376 177.045 176.600 0.114 0.000 1.027 379 E CA -0.261 56.192 56.400 0.089 0.000 0.900 379 E CB 0.250 29.986 29.700 0.060 0.000 0.993 379 E HN 0.311 nan 8.360 nan 0.000 0.482 380 H N 1.899 121.016 119.070 0.078 0.000 3.001 380 H HA -0.019 4.537 4.556 -0.001 0.000 0.334 380 H C -1.765 173.629 175.328 0.110 0.000 1.034 380 H CA -1.172 54.938 56.048 0.103 0.000 1.420 380 H CB 1.192 31.040 29.762 0.144 0.000 1.405 380 H HN -0.112 nan 8.280 nan 0.000 0.593 381 P HA -0.198 nan 4.420 nan 0.000 0.216 381 P C 1.464 178.946 177.300 0.304 0.000 1.157 381 P CA 1.579 64.749 63.100 0.116 0.000 0.880 381 P CB -0.223 31.477 31.700 0.000 0.000 0.791 382 W N -0.027 121.522 121.300 0.414 0.000 2.358 382 W HA -0.163 4.497 4.660 -0.000 0.000 0.303 382 W C 1.882 178.466 176.519 0.109 0.000 1.208 382 W CA 1.262 58.729 57.345 0.202 0.000 1.274 382 W CB -0.650 28.875 29.460 0.107 0.000 1.138 382 W HN -0.218 nan 8.180 nan 0.000 0.515 383 I N 0.742 121.455 120.570 0.238 0.000 2.133 383 I HA -0.284 3.886 4.170 -0.001 0.000 0.238 383 I C 2.698 178.765 176.117 -0.084 0.000 1.074 383 I CA 2.374 63.670 61.300 -0.007 0.000 1.342 383 I CB -1.893 36.191 38.000 0.140 0.000 1.053 383 I HN 0.152 nan 8.210 nan 0.000 0.404 384 T N -0.204 114.359 114.554 0.014 0.000 2.803 384 T HA -0.129 4.220 4.350 -0.001 0.000 0.269 384 T C 1.974 176.635 174.700 -0.066 0.000 1.052 384 T CA 1.383 63.473 62.100 -0.016 0.000 1.136 384 T CB -0.560 68.320 68.868 0.019 0.000 0.864 384 T HN 0.291 nan 8.240 nan 0.000 0.467 385 A N 2.541 125.311 122.820 -0.084 0.000 1.872 385 A HA 0.015 4.335 4.320 -0.001 0.000 0.214 385 A C 2.184 179.654 177.584 -0.192 0.000 1.187 385 A CA 1.596 53.566 52.037 -0.111 0.000 0.614 385 A CB -0.702 18.251 19.000 -0.079 0.000 0.826 385 A HN 0.630 nan 8.150 nan 0.000 0.442 386 N N -0.618 117.875 118.700 -0.344 0.000 2.405 386 N HA 0.084 4.823 4.740 -0.001 0.000 0.175 386 N C 0.648 175.971 175.510 -0.312 0.000 1.051 386 N CA 0.564 53.379 53.050 -0.391 0.000 0.899 386 N CB 0.132 38.211 38.487 -0.679 0.000 1.000 386 N HN 0.287 nan 8.380 nan 0.000 0.451 387 S N 0.009 115.548 115.700 -0.268 0.000 2.549 387 S HA 0.130 4.600 4.470 -0.001 0.000 0.279 387 S C 1.165 175.685 174.600 -0.132 0.000 1.321 387 S CA -0.475 57.615 58.200 -0.184 0.000 1.054 387 S CB 0.456 63.585 63.200 -0.119 0.000 0.899 387 S HN 0.366 nan 8.310 nan 0.000 0.497 388 S N 2.907 118.535 115.700 -0.120 0.000 2.524 388 S HA 0.249 4.719 4.470 -0.001 0.000 0.215 388 S C 0.221 174.783 174.600 -0.063 0.000 0.986 388 S CA -0.367 57.778 58.200 -0.092 0.000 0.911 388 S CB -0.042 63.098 63.200 -0.101 0.000 0.805 388 S HN 0.609 nan 8.310 nan 0.000 0.501 389 K N 3.059 123.428 120.400 -0.053 0.000 2.213 389 K HA 0.550 4.870 4.320 -0.001 0.000 0.270 389 K C -3.234 173.358 176.600 -0.014 0.000 1.002 389 K CA -2.305 53.967 56.287 -0.025 0.000 0.868 389 K CB 0.721 33.218 32.500 -0.005 0.000 1.093 389 K HN -0.062 nan 8.250 nan 0.000 0.454 390 P HA 0.054 nan 4.420 nan 0.000 0.267 390 P C -0.934 176.377 177.300 0.018 0.000 1.205 390 P CA 0.031 63.132 63.100 0.001 0.000 0.765 390 P CB 0.931 32.630 31.700 -0.001 0.000 0.828 391 S N 2.542 118.255 115.700 0.023 0.000 2.585 391 S HA 0.193 4.663 4.470 -0.001 0.000 0.273 391 S C 0.366 174.993 174.600 0.045 0.000 1.339 391 S CA -0.239 57.985 58.200 0.040 0.000 1.028 391 S CB -0.061 63.163 63.200 0.041 0.000 0.906 391 S HN 0.548 nan 8.310 nan 0.000 0.528 392 N N 0.857 119.593 118.700 0.061 0.000 2.839 392 N HA 0.097 4.837 4.740 -0.001 0.000 0.230 392 N C -1.171 174.388 175.510 0.082 0.000 1.388 392 N CA -0.327 52.764 53.050 0.069 0.000 0.747 392 N CB 0.463 38.996 38.487 0.076 0.000 1.411 392 N HN 0.602 nan 8.380 nan 0.000 0.556 393 C N 2.947 122.288 119.300 0.068 0.000 2.648 393 C HA 0.203 4.663 4.460 -0.001 0.000 0.419 393 C C 0.988 176.024 174.990 0.077 0.000 1.352 393 C CA 0.893 59.952 59.018 0.067 0.000 1.816 393 C CB -1.076 26.699 27.740 0.058 0.000 2.598 393 C HN 0.895 nan 8.230 nan 0.000 0.598 394 Q N 0.000 119.851 119.800 0.085 0.000 2.315 394 Q HA 0.000 4.340 4.340 -0.001 0.000 0.214 394 Q CA 0.000 55.861 55.803 0.096 0.000 1.022 394 Q CB 0.000 28.783 28.738 0.075 0.000 1.108 394 Q HN 0.000 nan 8.270 nan 0.000 0.481