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 1k0b_1_B DATA FIRST_RESID 97 DATA SEQUENCE VEYSRITKFF QEQPLEGYTL FSHRSAPNGF KVAIVLSELG FHYNTIFLDF DATA SEQUENCE NLGEHRAPEF VSVNPNARVP ALIDHGMDNL SIWESGAILL HLVNKYYKET DATA SEQUENCE GNPLLWSDDL ADQSQINAWL FFQTSGHAPM IGQALHFRYF HSQKIASAVE DATA SEQUENCE RYTDEVRRVY GVVEMALAER REALVMELDX XXXXXXXXXX XXXXXSRFFD DATA SEQUENCE YPVWLVGDKL TIADLAFVPW NNVVDRIGIN IKIEFPEVYK WTKHMMRRPA DATA SEQUENCE VIKALRG 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 97 V HA 0.000 nan 4.120 nan 0.000 0.244 97 V C 0.000 176.082 176.094 -0.020 0.000 1.182 97 V CA 0.000 62.337 62.300 0.062 0.000 1.235 97 V CB 0.000 31.885 31.823 0.104 0.000 1.184 98 E N 4.069 124.261 120.200 -0.013 0.000 2.432 98 E HA 0.527 4.876 4.350 -0.001 0.000 0.272 98 E C -0.978 175.588 176.600 -0.057 0.000 0.937 98 E CA -0.540 55.776 56.400 -0.140 0.000 0.812 98 E CB 1.105 30.761 29.700 -0.073 0.000 1.377 98 E HN 0.771 nan 8.360 nan 0.000 0.399 99 Y N 2.507 122.814 120.300 0.011 0.000 2.716 99 Y HA 0.426 4.975 4.550 -0.002 0.000 0.260 99 Y C 1.457 177.388 175.900 0.052 0.000 1.141 99 Y CA -0.290 57.823 58.100 0.021 0.000 1.168 99 Y CB 0.121 38.583 38.460 0.003 0.000 1.189 99 Y HN 0.364 nan 8.280 nan 0.000 0.549 100 S N 1.498 117.162 115.700 -0.059 0.000 2.387 100 S HA -0.289 4.181 4.470 -0.001 0.000 0.230 100 S C 2.349 177.012 174.600 0.105 0.000 1.035 100 S CA 2.040 60.241 58.200 0.002 0.000 1.014 100 S CB -0.249 62.925 63.200 -0.043 0.000 0.836 100 S HN 0.720 nan 8.310 nan 0.000 0.466 101 R N 0.357 120.919 120.500 0.104 0.000 2.091 101 R HA -0.084 4.256 4.340 -0.001 0.000 0.238 101 R C 1.935 178.354 176.300 0.199 0.000 1.136 101 R CA 1.836 58.009 56.100 0.121 0.000 0.959 101 R CB -0.432 29.919 30.300 0.085 0.000 0.856 101 R HN 0.450 nan 8.270 nan 0.000 0.437 102 I N 0.993 121.718 120.570 0.259 0.000 2.353 102 I HA -0.127 4.042 4.170 -0.001 0.000 0.248 102 I C 2.039 178.475 176.117 0.531 0.000 1.119 102 I CA 1.246 62.773 61.300 0.380 0.000 1.417 102 I CB -1.392 36.818 38.000 0.350 0.000 1.078 102 I HN 0.177 nan 8.210 nan 0.000 0.421 103 T N 0.991 115.799 114.554 0.424 0.000 2.867 103 T HA -0.129 4.220 4.350 -0.001 0.000 0.268 103 T C 1.948 176.832 174.700 0.306 0.000 1.057 103 T CA 1.159 63.490 62.100 0.385 0.000 1.136 103 T CB -0.037 69.003 68.868 0.287 0.000 0.874 103 T HN 0.278 nan 8.240 nan 0.000 0.466 104 K N 0.537 121.077 120.400 0.234 0.000 2.097 104 K HA 0.011 4.330 4.320 -0.001 0.000 0.205 104 K C 1.851 178.535 176.600 0.141 0.000 1.050 104 K CA 0.979 57.357 56.287 0.151 0.000 0.938 104 K CB -0.324 32.243 32.500 0.113 0.000 0.718 104 K HN 0.282 nan 8.250 nan 0.000 0.442 105 F N 0.750 120.734 119.950 0.056 0.000 2.069 105 F HA -0.178 4.349 4.527 -0.001 0.000 0.298 105 F C 1.389 177.129 175.800 -0.100 0.000 1.113 105 F CA 1.472 59.428 58.000 -0.072 0.000 1.214 105 F CB -0.273 38.624 39.000 -0.172 0.000 0.978 105 F HN -0.092 nan 8.300 nan 0.000 0.474 106 F N 0.250 120.254 119.950 0.090 0.000 2.771 106 F HA -0.072 4.454 4.527 -0.001 0.000 0.299 106 F C 1.972 177.725 175.800 -0.078 0.000 1.177 106 F CA 0.253 58.239 58.000 -0.023 0.000 1.450 106 F CB -0.329 38.767 39.000 0.159 0.000 1.114 106 F HN 0.109 nan 8.300 nan 0.000 0.587 107 Q N 0.441 120.263 119.800 0.037 0.000 2.349 107 Q HA 0.006 4.345 4.340 -0.001 0.000 0.209 107 Q C 0.412 176.368 176.000 -0.074 0.000 0.920 107 Q CA 0.576 56.386 55.803 0.012 0.000 0.901 107 Q CB 0.017 28.776 28.738 0.034 0.000 1.021 107 Q HN 0.520 nan 8.270 nan 0.000 0.519 108 E N 0.415 120.512 120.200 -0.171 0.000 2.675 108 E HA 0.342 4.691 4.350 -0.001 0.000 0.236 108 E C -0.943 175.419 176.600 -0.397 0.000 1.059 108 E CA -0.244 56.031 56.400 -0.208 0.000 0.775 108 E CB 0.663 30.279 29.700 -0.141 0.000 1.356 108 E HN -0.156 nan 8.360 nan 0.000 0.403 109 Q N 3.418 122.978 119.800 -0.400 0.000 2.256 109 Q HA 0.381 4.720 4.340 -0.001 0.000 0.257 109 Q C -2.117 173.609 176.000 -0.456 0.000 0.936 109 Q CA -2.335 53.124 55.803 -0.573 0.000 0.903 109 Q CB 1.262 29.776 28.738 -0.373 0.000 1.263 109 Q HN 0.454 nan 8.270 nan 0.000 0.440 110 P HA -0.153 nan 4.420 nan 0.000 0.269 110 P C 0.215 177.350 177.300 -0.274 0.000 1.205 110 P CA -0.066 62.785 63.100 -0.415 0.000 0.780 110 P CB 0.481 31.900 31.700 -0.467 0.000 0.858 111 L N -0.045 121.091 121.223 -0.144 0.000 1.976 111 L HA -0.031 4.308 4.340 -0.001 0.000 0.209 111 L C 1.214 178.067 176.870 -0.029 0.000 1.071 111 L CA 1.660 56.458 54.840 -0.070 0.000 0.746 111 L CB -1.973 40.057 42.059 -0.049 0.000 0.890 111 L HN 0.450 nan 8.230 nan 0.000 0.432 112 E N -0.495 119.687 120.200 -0.030 0.000 2.504 112 E HA 0.616 4.965 4.350 -0.001 0.000 0.235 112 E C 0.306 176.899 176.600 -0.012 0.000 0.827 112 E CA -0.469 55.920 56.400 -0.019 0.000 0.903 112 E CB 0.716 30.399 29.700 -0.027 0.000 1.622 112 E HN 0.300 nan 8.360 nan 0.000 0.392 113 G N -0.757 107.970 108.800 -0.122 0.000 2.627 113 G HA2 -0.122 3.837 3.960 -0.001 0.000 0.214 113 G HA3 -0.122 3.837 3.960 -0.001 0.000 0.214 113 G C -1.615 173.106 174.900 -0.299 0.000 1.331 113 G CA -0.315 44.743 45.100 -0.068 0.000 0.891 113 G HN 0.453 nan 8.290 nan 0.000 0.539 114 Y N -0.579 119.877 120.300 0.259 0.000 2.457 114 Y HA 0.651 5.200 4.550 -0.002 0.000 0.343 114 Y C 0.526 176.553 175.900 0.212 0.000 0.994 114 Y CA -0.512 57.688 58.100 0.167 0.000 1.031 114 Y CB 2.655 41.153 38.460 0.063 0.000 1.246 114 Y HN 0.613 nan 8.280 nan 0.000 0.449 115 T N 4.499 119.219 114.554 0.277 0.000 2.779 115 T HA 0.502 4.851 4.350 -0.001 0.000 0.280 115 T C -1.365 173.312 174.700 -0.037 0.000 0.987 115 T CA -0.500 61.673 62.100 0.121 0.000 0.966 115 T CB 0.862 69.839 68.868 0.183 0.000 0.933 115 T HN 0.410 nan 8.240 nan 0.000 0.442 116 L N 4.214 125.335 121.223 -0.170 0.000 2.305 116 L HA 0.659 4.998 4.340 -0.001 0.000 0.284 116 L C -1.570 175.076 176.870 -0.374 0.000 1.013 116 L CA -0.637 54.100 54.840 -0.171 0.000 0.819 116 L CB 0.372 42.333 42.059 -0.164 0.000 1.227 116 L HN 0.502 nan 8.230 nan 0.000 0.417 117 F N 4.400 124.296 119.950 -0.091 0.000 2.371 117 F HA 0.637 5.163 4.527 -0.000 0.000 0.363 117 F C 0.804 176.558 175.800 -0.076 0.000 1.122 117 F CA 0.254 58.197 58.000 -0.094 0.000 1.129 117 F CB 1.502 40.570 39.000 0.114 0.000 1.173 117 F HN 0.653 nan 8.300 nan 0.000 0.489 118 S N 2.103 117.757 115.700 -0.076 0.000 2.998 118 S HA 0.557 5.026 4.470 -0.001 0.000 0.323 118 S C -1.808 172.939 174.600 0.244 0.000 1.141 118 S CA -0.439 57.759 58.200 -0.004 0.000 0.873 118 S CB 1.466 64.496 63.200 -0.283 0.000 1.315 118 S HN 0.706 nan 8.310 nan 0.000 0.637 119 H N 0.402 119.663 119.070 0.317 0.000 3.086 119 H HA 0.391 4.946 4.556 -0.001 0.000 0.353 119 H C 0.299 175.960 175.328 0.555 0.000 1.134 119 H CA -0.352 56.001 56.048 0.510 0.000 1.248 119 H CB 1.363 31.339 29.762 0.356 0.000 1.878 119 H HN 0.689 nan 8.280 nan 0.000 0.527 120 R N 1.221 121.816 120.500 0.159 0.000 2.211 120 R HA -0.090 4.249 4.340 -0.001 0.000 0.240 120 R C 0.965 177.409 176.300 0.240 0.000 1.144 120 R CA 1.619 57.817 56.100 0.164 0.000 0.992 120 R CB 0.098 30.228 30.300 -0.284 0.000 0.869 120 R HN 0.431 nan 8.270 nan 0.000 0.462 121 S N -0.904 115.018 115.700 0.370 0.000 2.581 121 S HA 0.477 4.946 4.470 -0.001 0.000 0.245 121 S C -0.101 174.569 174.600 0.117 0.000 1.115 121 S CA -0.681 57.624 58.200 0.175 0.000 1.093 121 S CB 1.279 64.553 63.200 0.123 0.000 0.853 121 S HN 0.194 nan 8.310 nan 0.000 0.479 122 A N 2.077 125.033 122.820 0.226 0.000 2.431 122 A HA 0.731 5.050 4.320 -0.001 0.000 0.318 122 A C -1.989 175.645 177.584 0.083 0.000 1.330 122 A CA -1.753 50.352 52.037 0.113 0.000 0.804 122 A CB 0.979 20.102 19.000 0.205 0.000 1.135 122 A HN 0.300 nan 8.150 nan 0.000 0.483 123 P HA -0.168 nan 4.420 nan 0.000 0.216 123 P C 1.123 178.335 177.300 -0.146 0.000 1.153 123 P CA 1.290 64.068 63.100 -0.536 0.000 0.858 123 P CB 0.261 30.904 31.700 -1.761 0.000 0.789 124 N N -0.890 117.850 118.700 0.066 0.000 2.381 124 N HA -0.066 4.673 4.740 -0.001 0.000 0.182 124 N C 1.916 177.509 175.510 0.137 0.000 1.025 124 N CA 1.442 54.642 53.050 0.251 0.000 0.888 124 N CB -0.991 37.691 38.487 0.325 0.000 0.965 124 N HN 0.183 nan 8.380 nan 0.000 0.438 125 G N -0.283 108.596 108.800 0.132 0.000 2.402 125 G HA2 -0.174 3.785 3.960 -0.001 0.000 0.216 125 G HA3 -0.174 3.785 3.960 -0.001 0.000 0.216 125 G C 1.140 175.977 174.900 -0.106 0.000 1.162 125 G CA 0.190 45.306 45.100 0.027 0.000 0.777 125 G HN 0.213 nan 8.290 nan 0.000 0.539 126 F N 0.775 120.721 119.950 -0.007 0.000 2.456 126 F HA 0.197 4.722 4.527 -0.002 0.000 0.298 126 F C 2.433 178.214 175.800 -0.032 0.000 1.104 126 F CA 0.960 58.952 58.000 -0.014 0.000 1.435 126 F CB 0.107 39.095 39.000 -0.020 0.000 1.078 126 F HN 0.084 nan 8.300 nan 0.000 0.546 127 K N 0.503 120.977 120.400 0.123 0.000 2.057 127 K HA -0.134 4.185 4.320 -0.001 0.000 0.207 127 K C 1.970 178.558 176.600 -0.019 0.000 1.049 127 K CA 1.445 57.775 56.287 0.071 0.000 0.931 127 K CB -0.243 32.322 32.500 0.108 0.000 0.714 127 K HN 0.104 nan 8.250 nan 0.000 0.440 128 V N 1.305 121.180 119.914 -0.065 0.000 2.295 128 V HA -0.231 3.888 4.120 -0.001 0.000 0.246 128 V C 2.460 178.399 176.094 -0.258 0.000 1.049 128 V CA 1.967 64.174 62.300 -0.155 0.000 1.024 128 V CB -0.716 31.009 31.823 -0.164 0.000 0.648 128 V HN 0.517 nan 8.190 nan 0.000 0.447 129 A N -0.148 122.500 122.820 -0.286 0.000 1.940 129 A HA -0.196 4.123 4.320 -0.001 0.000 0.219 129 A C 2.189 179.672 177.584 -0.169 0.000 1.176 129 A CA 1.985 53.804 52.037 -0.362 0.000 0.631 129 A CB -0.558 18.304 19.000 -0.230 0.000 0.814 129 A HN 0.510 nan 8.150 nan 0.000 0.446 130 I N -0.553 119.979 120.570 -0.063 0.000 2.099 130 I HA -0.241 3.928 4.170 -0.001 0.000 0.239 130 I C 2.391 178.461 176.117 -0.079 0.000 1.066 130 I CA 1.465 62.750 61.300 -0.025 0.000 1.324 130 I CB -0.431 37.570 38.000 0.002 0.000 1.037 130 I HN 0.169 nan 8.210 nan 0.000 0.401 131 V N 0.514 120.363 119.914 -0.109 0.000 2.343 131 V HA -0.283 3.836 4.120 -0.001 0.000 0.247 131 V C 2.413 178.421 176.094 -0.142 0.000 1.051 131 V CA 1.487 63.709 62.300 -0.130 0.000 1.036 131 V CB -0.567 31.179 31.823 -0.128 0.000 0.654 131 V HN 0.314 nan 8.190 nan 0.000 0.451 132 L N -0.021 121.089 121.223 -0.187 0.000 2.042 132 L HA -0.163 4.176 4.340 -0.001 0.000 0.210 132 L C 2.673 179.509 176.870 -0.058 0.000 1.076 132 L CA 2.285 57.016 54.840 -0.181 0.000 0.749 132 L CB -0.880 40.833 42.059 -0.577 0.000 0.893 132 L HN 0.365 nan 8.230 nan 0.000 0.432 133 S N -1.393 114.290 115.700 -0.028 0.000 2.371 133 S HA -0.129 4.340 4.470 -0.001 0.000 0.224 133 S C 1.870 176.428 174.600 -0.070 0.000 1.029 133 S CA 0.776 59.005 58.200 0.049 0.000 0.978 133 S CB -0.155 63.105 63.200 0.101 0.000 0.833 133 S HN 0.442 nan 8.310 nan 0.000 0.466 134 E N 0.919 121.051 120.200 -0.114 0.000 2.160 134 E HA -0.067 4.282 4.350 -0.001 0.000 0.195 134 E C 1.769 178.199 176.600 -0.282 0.000 0.991 134 E CA 0.798 57.096 56.400 -0.171 0.000 0.810 134 E CB -0.231 29.364 29.700 -0.174 0.000 0.742 134 E HN 0.533 nan 8.360 nan 0.000 0.466 135 L N -0.735 120.273 121.223 -0.358 0.000 2.558 135 L HA 0.121 4.460 4.340 -0.001 0.000 0.225 135 L C 1.417 177.917 176.870 -0.618 0.000 1.128 135 L CA 0.446 54.900 54.840 -0.644 0.000 0.868 135 L CB -0.011 41.601 42.059 -0.744 0.000 1.006 135 L HN 0.200 nan 8.230 nan 0.000 0.454 136 G N 0.056 108.630 108.800 -0.376 0.000 2.159 136 G HA2 -0.309 3.650 3.960 -0.001 0.000 0.256 136 G HA3 -0.309 3.650 3.960 -0.001 0.000 0.256 136 G C 0.187 174.855 174.900 -0.387 0.000 0.977 136 G CA -0.399 44.503 45.100 -0.329 0.000 0.652 136 G HN 0.253 nan 8.290 nan 0.000 0.531 137 F N 2.571 122.429 119.950 -0.152 0.000 2.472 137 F HA 0.316 4.842 4.527 -0.002 0.000 0.364 137 F C 1.335 177.139 175.800 0.007 0.000 1.090 137 F CA -0.870 57.081 58.000 -0.083 0.000 1.188 137 F CB 0.496 39.358 39.000 -0.230 0.000 1.105 137 F HN 0.097 nan 8.300 nan 0.000 0.536 138 H N 4.425 123.778 119.070 0.472 0.000 2.722 138 H HA 0.180 4.734 4.556 -0.002 0.000 0.328 138 H C -0.693 174.885 175.328 0.416 0.000 1.067 138 H CA 0.010 56.247 56.048 0.315 0.000 1.447 138 H CB 0.618 30.495 29.762 0.192 0.000 1.469 138 H HN 0.671 nan 8.280 nan 0.000 0.544 139 Y N 0.338 120.787 120.300 0.249 0.000 2.571 139 Y HA 0.341 4.890 4.550 -0.001 0.000 0.341 139 Y C -1.086 174.857 175.900 0.072 0.000 1.076 139 Y CA -1.346 56.862 58.100 0.179 0.000 1.029 139 Y CB 1.263 39.789 38.460 0.111 0.000 1.308 139 Y HN 0.438 nan 8.280 nan 0.000 0.461 140 N N 0.304 119.048 118.700 0.074 0.000 2.405 140 N HA 0.624 5.363 4.740 -0.001 0.000 0.299 140 N C -1.560 173.904 175.510 -0.076 0.000 1.075 140 N CA -0.257 52.747 53.050 -0.076 0.000 0.884 140 N CB 2.095 40.548 38.487 -0.055 0.000 1.194 140 N HN 0.791 nan 8.380 nan 0.000 0.491 141 T N 2.921 117.363 114.554 -0.185 0.000 2.797 141 T HA 0.497 4.846 4.350 -0.001 0.000 0.279 141 T C -0.196 174.188 174.700 -0.525 0.000 0.991 141 T CA -0.386 61.490 62.100 -0.373 0.000 0.979 141 T CB 0.382 68.975 68.868 -0.458 0.000 0.943 141 T HN 0.349 nan 8.240 nan 0.000 0.444 142 I N 3.327 123.487 120.570 -0.684 0.000 2.382 142 I HA 0.360 4.529 4.170 -0.001 0.000 0.286 142 I C -0.885 174.929 176.117 -0.504 0.000 1.002 142 I CA -0.779 60.184 61.300 -0.562 0.000 1.135 142 I CB 1.126 38.679 38.000 -0.744 0.000 1.288 142 I HN 0.569 nan 8.210 nan 0.000 0.448 143 F N 6.691 126.564 119.950 -0.128 0.000 2.404 143 F HA 0.309 4.835 4.527 -0.001 0.000 0.359 143 F C 0.507 176.281 175.800 -0.042 0.000 1.134 143 F CA -0.393 57.566 58.000 -0.069 0.000 1.160 143 F CB 0.389 39.328 39.000 -0.102 0.000 1.186 143 F HN 0.198 nan 8.300 nan 0.000 0.526 144 L N 3.609 124.894 121.223 0.103 0.000 2.490 144 L HA 0.011 4.350 4.340 -0.001 0.000 0.274 144 L C 0.499 177.407 176.870 0.062 0.000 1.201 144 L CA 0.169 54.974 54.840 -0.059 0.000 0.869 144 L CB 0.335 42.141 42.059 -0.421 0.000 1.123 144 L HN 0.538 nan 8.230 nan 0.000 0.484 145 D N 3.069 123.473 120.400 0.006 0.000 2.479 145 D HA 0.085 4.724 4.640 -0.001 0.000 0.218 145 D C 0.777 177.130 176.300 0.088 0.000 1.131 145 D CA -0.284 53.785 54.000 0.115 0.000 0.916 145 D CB 0.582 41.434 40.800 0.087 0.000 1.022 145 D HN 0.261 nan 8.370 nan 0.000 0.515 146 F N 2.448 122.447 119.950 0.081 0.000 2.216 146 F HA -0.155 4.370 4.527 -0.002 0.000 0.300 146 F C 2.275 178.120 175.800 0.075 0.000 1.085 146 F CA 0.803 58.774 58.000 -0.049 0.000 1.326 146 F CB -0.504 38.301 39.000 -0.325 0.000 1.027 146 F HN 0.351 nan 8.300 nan 0.000 0.497 147 N N 0.516 119.363 118.700 0.245 0.000 2.149 147 N HA -0.177 4.562 4.740 -0.001 0.000 0.188 147 N C 1.404 177.006 175.510 0.152 0.000 1.019 147 N CA 1.100 54.251 53.050 0.168 0.000 0.857 147 N CB -0.259 38.304 38.487 0.127 0.000 0.997 147 N HN 0.096 nan 8.380 nan 0.000 0.426 148 L N 0.033 121.342 121.223 0.144 0.000 2.591 148 L HA 0.333 4.672 4.340 -0.001 0.000 0.228 148 L C 1.232 178.197 176.870 0.158 0.000 1.133 148 L CA 0.745 55.658 54.840 0.122 0.000 0.880 148 L CB -0.767 41.348 42.059 0.093 0.000 1.033 148 L HN 0.367 nan 8.230 nan 0.000 0.450 149 G N -0.398 108.531 108.800 0.215 0.000 2.249 149 G HA2 -0.334 3.625 3.960 -0.001 0.000 0.273 149 G HA3 -0.334 3.625 3.960 -0.001 0.000 0.273 149 G C 1.040 175.975 174.900 0.059 0.000 1.036 149 G CA 0.681 45.891 45.100 0.184 0.000 0.824 149 G HN 0.483 nan 8.290 nan 0.000 0.504 150 E N -0.946 119.300 120.200 0.076 0.000 2.204 150 E HA -0.123 4.226 4.350 -0.001 0.000 0.194 150 E C 1.902 178.315 176.600 -0.312 0.000 0.989 150 E CA 1.263 57.635 56.400 -0.046 0.000 0.824 150 E CB -0.226 29.436 29.700 -0.064 0.000 0.756 150 E HN 1.034 nan 8.360 nan 0.000 0.477 151 H N -0.226 118.530 119.070 -0.523 0.000 2.561 151 H HA 0.104 4.659 4.556 -0.001 0.000 0.278 151 H C 1.542 176.784 175.328 -0.143 0.000 1.014 151 H CA 0.415 56.155 56.048 -0.514 0.000 1.211 151 H CB -0.031 29.401 29.762 -0.550 0.000 1.365 151 H HN -0.036 nan 8.280 nan 0.000 0.594 152 R N 0.797 120.911 120.500 -0.644 0.000 2.334 152 R HA 0.326 4.665 4.340 -0.001 0.000 0.216 152 R C 0.413 176.326 176.300 -0.646 0.000 0.905 152 R CA 0.231 55.995 56.100 -0.559 0.000 1.064 152 R CB 0.648 30.642 30.300 -0.509 0.000 1.046 152 R HN 0.262 nan 8.270 nan 0.000 0.508 153 A N 2.594 124.937 122.820 -0.795 0.000 2.548 153 A HA 0.124 4.443 4.320 -0.001 0.000 0.247 153 A C -1.620 175.677 177.584 -0.478 0.000 1.067 153 A CA -1.026 50.391 52.037 -1.035 0.000 0.757 153 A CB 0.209 18.900 19.000 -0.516 0.000 0.996 153 A HN -0.017 nan 8.150 nan 0.000 0.504 154 P HA -0.182 nan 4.420 nan 0.000 0.216 154 P C 0.821 177.953 177.300 -0.280 0.000 1.150 154 P CA 1.580 64.531 63.100 -0.249 0.000 0.843 154 P CB 0.233 31.851 31.700 -0.136 0.000 0.787 155 E N -2.156 117.872 120.200 -0.287 0.000 2.208 155 E HA -0.113 4.236 4.350 -0.001 0.000 0.193 155 E C 1.600 177.654 176.600 -0.909 0.000 0.988 155 E CA 0.711 56.789 56.400 -0.536 0.000 0.828 155 E CB -0.911 28.551 29.700 -0.397 0.000 0.763 155 E HN 0.289 nan 8.360 nan 0.000 0.478 156 F N 0.064 119.606 119.950 -0.680 0.000 2.219 156 F HA -0.044 4.482 4.527 -0.001 0.000 0.294 156 F C 1.787 177.299 175.800 -0.480 0.000 1.086 156 F CA 0.624 58.270 58.000 -0.590 0.000 1.330 156 F CB -0.096 38.674 39.000 -0.383 0.000 1.047 156 F HN -0.166 nan 8.300 nan 0.000 0.495 157 V N -0.343 119.304 119.914 -0.445 0.000 2.594 157 V HA -0.240 3.879 4.120 -0.001 0.000 0.253 157 V C 2.383 178.179 176.094 -0.497 0.000 1.069 157 V CA 1.882 63.899 62.300 -0.472 0.000 1.082 157 V CB -1.086 30.556 31.823 -0.300 0.000 0.680 157 V HN 0.328 nan 8.190 nan 0.000 0.469 158 S N -0.311 115.116 115.700 -0.455 0.000 2.355 158 S HA -0.151 4.318 4.470 -0.001 0.000 0.222 158 S C 2.010 176.366 174.600 -0.407 0.000 1.031 158 S CA 1.442 59.414 58.200 -0.380 0.000 0.993 158 S CB -0.201 62.801 63.200 -0.330 0.000 0.859 158 S HN 0.367 nan 8.310 nan 0.000 0.453 159 V N 1.811 121.430 119.914 -0.491 0.000 2.515 159 V HA 0.021 4.140 4.120 -0.001 0.000 0.250 159 V C 0.384 176.191 176.094 -0.479 0.000 1.058 159 V CA 1.300 63.370 62.300 -0.383 0.000 1.064 159 V CB -0.267 31.375 31.823 -0.303 0.000 0.675 159 V HN 0.494 nan 8.190 nan 0.000 0.461 160 N N -0.632 117.612 118.700 -0.760 0.000 2.607 160 N HA 0.280 5.019 4.740 -0.001 0.000 0.271 160 N C -1.671 173.291 175.510 -0.914 0.000 1.142 160 N CA -1.795 50.698 53.050 -0.928 0.000 0.810 160 N CB 1.856 39.862 38.487 -0.801 0.000 1.306 160 N HN -0.030 nan 8.380 nan 0.000 0.536 161 P HA -0.183 nan 4.420 nan 0.000 0.216 161 P C 0.581 177.567 177.300 -0.523 0.000 1.150 161 P CA 1.264 63.946 63.100 -0.696 0.000 0.843 161 P CB 0.353 31.631 31.700 -0.703 0.000 0.787 162 N N -0.286 118.065 118.700 -0.581 0.000 2.550 162 N HA 0.007 4.746 4.740 -0.001 0.000 0.186 162 N C 0.462 175.929 175.510 -0.072 0.000 1.110 162 N CA 0.595 53.508 53.050 -0.227 0.000 0.912 162 N CB -0.281 38.171 38.487 -0.057 0.000 0.968 162 N HN -0.097 nan 8.380 nan 0.000 0.448 163 A N 0.589 123.333 122.820 -0.128 0.000 2.748 163 A HA -0.210 4.109 4.320 -0.001 0.000 0.297 163 A C -0.289 177.530 177.584 0.392 0.000 1.508 163 A CA 1.082 53.203 52.037 0.141 0.000 0.799 163 A CB -1.152 17.931 19.000 0.138 0.000 1.011 163 A HN 0.380 nan 8.150 nan 0.000 0.500 164 R N -1.282 119.413 120.500 0.326 0.000 2.837 164 R HA 0.698 5.037 4.340 -0.001 0.000 0.271 164 R C 0.025 176.579 176.300 0.424 0.000 0.993 164 R CA -0.007 56.324 56.100 0.385 0.000 0.931 164 R CB 1.622 32.060 30.300 0.230 0.000 1.206 164 R HN 0.818 nan 8.270 nan 0.000 0.474 165 V N -0.821 119.350 119.914 0.427 0.000 2.834 165 V HA 0.679 4.798 4.120 -0.001 0.000 0.313 165 V C -1.973 174.270 176.094 0.248 0.000 1.060 165 V CA -1.862 60.662 62.300 0.373 0.000 0.989 165 V CB 1.405 33.471 31.823 0.406 0.000 1.041 165 V HN 0.641 nan 8.190 nan 0.000 0.459 166 P HA 0.669 nan 4.420 nan 0.000 0.276 166 P C -0.827 176.606 177.300 0.222 0.000 1.261 166 P CA -0.367 62.847 63.100 0.191 0.000 0.800 166 P CB 1.715 33.467 31.700 0.086 0.000 1.066 167 A N 1.015 123.988 122.820 0.255 0.000 2.488 167 A HA 0.572 4.891 4.320 -0.001 0.000 0.295 167 A C -1.711 176.031 177.584 0.263 0.000 1.045 167 A CA -0.552 51.636 52.037 0.252 0.000 0.703 167 A CB 1.099 20.248 19.000 0.248 0.000 1.271 167 A HN 0.496 nan 8.150 nan 0.000 0.400 168 L N 2.834 124.148 121.223 0.153 0.000 2.341 168 L HA 0.777 5.117 4.340 -0.001 0.000 0.278 168 L C -1.163 175.770 176.870 0.104 0.000 1.005 168 L CA -0.372 54.535 54.840 0.113 0.000 0.818 168 L CB 1.301 43.360 42.059 0.000 0.000 1.259 168 L HN 0.607 nan 8.230 nan 0.000 0.418 169 I N 4.240 124.877 120.570 0.111 0.000 2.339 169 I HA 0.275 4.444 4.170 -0.001 0.000 0.290 169 I C -0.673 175.305 176.117 -0.232 0.000 0.994 169 I CA -0.484 60.797 61.300 -0.033 0.000 1.191 169 I CB 1.530 39.550 38.000 0.034 0.000 1.343 169 I HN 0.542 nan 8.210 nan 0.000 0.458 170 D N 6.261 126.550 120.400 -0.186 0.000 2.479 170 D HA 0.104 4.744 4.640 -0.001 0.000 0.218 170 D C 1.142 177.265 176.300 -0.294 0.000 1.131 170 D CA -0.139 53.728 54.000 -0.222 0.000 0.916 170 D CB 0.512 41.314 40.800 0.004 0.000 1.022 170 D HN 0.459 nan 8.370 nan 0.000 0.515 171 H N 2.169 121.134 119.070 -0.176 0.000 2.456 171 H HA -0.060 4.495 4.556 -0.002 0.000 0.296 171 H C 1.843 177.099 175.328 -0.120 0.000 1.079 171 H CA 1.207 57.189 56.048 -0.111 0.000 1.322 171 H CB 0.099 29.799 29.762 -0.104 0.000 1.388 171 H HN 0.521 nan 8.280 nan 0.000 0.538 172 G N 0.265 109.006 108.800 -0.098 0.000 2.443 172 G HA2 -0.152 3.807 3.960 -0.001 0.000 0.219 172 G HA3 -0.152 3.807 3.960 -0.001 0.000 0.219 172 G C 1.179 176.063 174.900 -0.026 0.000 1.131 172 G CA 0.032 45.092 45.100 -0.066 0.000 0.775 172 G HN 0.266 nan 8.290 nan 0.000 0.547 173 M N 1.316 120.901 119.600 -0.025 0.000 3.346 173 M HA 0.190 4.669 4.480 -0.001 0.000 0.240 173 M C 0.169 176.477 176.300 0.013 0.000 1.190 173 M CA -0.226 55.081 55.300 0.012 0.000 1.192 173 M CB 0.364 32.992 32.600 0.048 0.000 1.182 173 M HN 0.058 nan 8.290 nan 0.000 0.570 174 D N 2.115 122.525 120.400 0.016 0.000 2.723 174 D HA -0.219 4.420 4.640 -0.001 0.000 0.236 174 D C -0.453 175.869 176.300 0.038 0.000 1.138 174 D CA 0.842 54.858 54.000 0.026 0.000 0.676 174 D CB -0.944 39.869 40.800 0.022 0.000 1.069 174 D HN 0.682 nan 8.370 nan 0.000 0.430 175 N N -1.745 116.980 118.700 0.042 0.000 2.740 175 N HA -0.246 4.493 4.740 -0.001 0.000 0.248 175 N C 0.260 175.780 175.510 0.017 0.000 1.062 175 N CA 0.913 53.990 53.050 0.044 0.000 0.704 175 N CB -1.385 37.191 38.487 0.148 0.000 0.968 175 N HN 0.562 nan 8.380 nan 0.000 0.547 176 L N 0.092 121.306 121.223 -0.015 0.000 2.499 176 L HA 0.260 4.599 4.340 -0.001 0.000 0.281 176 L C 0.549 177.399 176.870 -0.032 0.000 1.234 176 L CA 0.524 55.352 54.840 -0.021 0.000 0.839 176 L CB 0.842 42.878 42.059 -0.038 0.000 1.104 176 L HN 0.204 nan 8.230 nan 0.000 0.500 177 S N 3.884 119.577 115.700 -0.011 0.000 2.707 177 S HA 0.695 5.164 4.470 -0.001 0.000 0.303 177 S C -0.891 173.739 174.600 0.049 0.000 1.132 177 S CA -0.656 57.562 58.200 0.029 0.000 1.046 177 S CB 0.257 63.494 63.200 0.061 0.000 1.004 177 S HN 0.442 nan 8.310 nan 0.000 0.483 178 I N 5.888 126.446 120.570 -0.020 0.000 2.354 178 I HA 0.457 4.626 4.170 -0.001 0.000 0.292 178 I C 0.613 176.750 176.117 0.033 0.000 0.989 178 I CA -0.540 60.705 61.300 -0.091 0.000 1.188 178 I CB 1.264 39.113 38.000 -0.252 0.000 1.342 178 I HN 0.787 nan 8.210 nan 0.000 0.457 179 W N 3.873 125.115 121.300 -0.097 0.000 2.991 179 W HA 0.472 5.131 4.660 -0.002 0.000 0.391 179 W C -0.382 176.109 176.519 -0.047 0.000 1.054 179 W CA -0.228 57.071 57.345 -0.077 0.000 1.856 179 W CB -0.086 29.303 29.460 -0.118 0.000 1.132 179 W HN 0.349 nan 8.180 nan 0.000 0.601 180 E N 1.249 121.324 120.200 -0.207 0.000 2.224 180 E HA 0.110 4.459 4.350 -0.001 0.000 0.265 180 E C 1.151 177.671 176.600 -0.134 0.000 0.878 180 E CA 0.069 56.370 56.400 -0.166 0.000 0.759 180 E CB 2.520 32.020 29.700 -0.333 0.000 1.164 180 E HN -0.050 nan 8.360 nan 0.000 0.414 181 S N 1.934 117.597 115.700 -0.062 0.000 2.380 181 S HA -0.216 4.253 4.470 -0.001 0.000 0.229 181 S C 1.784 176.307 174.600 -0.128 0.000 1.043 181 S CA 1.668 59.831 58.200 -0.061 0.000 1.038 181 S CB -0.377 62.825 63.200 0.005 0.000 0.872 181 S HN 0.626 nan 8.310 nan 0.000 0.456 182 G N 1.141 109.829 108.800 -0.185 0.000 2.408 182 G HA2 0.170 4.130 3.960 -0.001 0.000 0.217 182 G HA3 0.170 4.130 3.960 -0.001 0.000 0.217 182 G C 1.624 176.364 174.900 -0.266 0.000 1.150 182 G CA 0.736 45.676 45.100 -0.267 0.000 0.776 182 G HN 0.845 nan 8.290 nan 0.000 0.542 183 A N 0.268 122.933 122.820 -0.259 0.000 2.016 183 A HA 0.260 4.579 4.320 -0.001 0.000 0.217 183 A C 2.312 179.792 177.584 -0.173 0.000 1.162 183 A CA 0.622 52.518 52.037 -0.234 0.000 0.662 183 A CB -0.187 18.626 19.000 -0.313 0.000 0.812 183 A HN 0.362 nan 8.150 nan 0.000 0.450 184 I N -0.135 120.336 120.570 -0.164 0.000 2.233 184 I HA -0.224 3.945 4.170 -0.001 0.000 0.243 184 I C 2.280 178.333 176.117 -0.107 0.000 1.093 184 I CA 0.940 62.168 61.300 -0.120 0.000 1.380 184 I CB -0.283 37.649 38.000 -0.114 0.000 1.067 184 I HN 0.289 nan 8.210 nan 0.000 0.413 185 L N 0.189 121.325 121.223 -0.144 0.000 2.012 185 L HA -0.248 4.091 4.340 -0.001 0.000 0.210 185 L C 2.563 179.290 176.870 -0.238 0.000 1.073 185 L CA 1.492 56.230 54.840 -0.170 0.000 0.748 185 L CB -0.746 41.214 42.059 -0.164 0.000 0.891 185 L HN 0.286 nan 8.230 nan 0.000 0.431 186 L N -0.997 120.073 121.223 -0.255 0.000 2.083 186 L HA -0.256 4.083 4.340 -0.001 0.000 0.209 186 L C 2.796 179.512 176.870 -0.256 0.000 1.083 186 L CA 1.177 55.805 54.840 -0.353 0.000 0.752 186 L CB -0.810 41.108 42.059 -0.236 0.000 0.899 186 L HN 0.421 nan 8.230 nan 0.000 0.433 187 H N 0.686 119.630 119.070 -0.211 0.000 2.321 187 H HA -0.139 4.415 4.556 -0.002 0.000 0.300 187 H C 2.276 177.529 175.328 -0.125 0.000 1.087 187 H CA 1.611 57.574 56.048 -0.141 0.000 1.319 187 H CB 0.149 29.839 29.762 -0.120 0.000 1.379 187 H HN 0.271 nan 8.280 nan 0.000 0.501 188 L N 0.868 122.017 121.223 -0.123 0.000 1.994 188 L HA -0.169 4.170 4.340 -0.001 0.000 0.208 188 L C 3.089 179.952 176.870 -0.012 0.000 1.071 188 L CA 1.475 56.264 54.840 -0.085 0.000 0.745 188 L CB -0.667 41.367 42.059 -0.043 0.000 0.892 188 L HN 0.219 nan 8.230 nan 0.000 0.431 189 V N -2.949 116.846 119.914 -0.199 0.000 2.490 189 V HA -0.198 3.921 4.120 -0.001 0.000 0.250 189 V C 2.150 178.145 176.094 -0.165 0.000 1.061 189 V CA 1.869 64.013 62.300 -0.261 0.000 1.064 189 V CB -0.798 30.612 31.823 -0.688 0.000 0.670 189 V HN 0.436 nan 8.190 nan 0.000 0.461 190 N N 0.994 119.548 118.700 -0.243 0.000 2.109 190 N HA -0.161 4.578 4.740 -0.001 0.000 0.188 190 N C 1.938 177.498 175.510 0.082 0.000 1.034 190 N CA 2.008 55.059 53.050 0.001 0.000 0.846 190 N CB -0.245 38.215 38.487 -0.045 0.000 1.010 190 N HN 0.611 nan 8.380 nan 0.000 0.425 191 K N 0.073 120.438 120.400 -0.058 0.000 2.032 191 K HA -0.207 4.112 4.320 -0.001 0.000 0.209 191 K C 2.144 178.849 176.600 0.175 0.000 1.048 191 K CA 1.203 57.475 56.287 -0.025 0.000 0.927 191 K CB -0.281 32.099 32.500 -0.200 0.000 0.712 191 K HN 0.129 nan 8.250 nan 0.000 0.441 192 Y N 0.055 120.478 120.300 0.206 0.000 2.128 192 Y HA -0.328 4.221 4.550 -0.001 0.000 0.284 192 Y C 2.207 178.219 175.900 0.187 0.000 1.154 192 Y CA 2.056 60.283 58.100 0.212 0.000 1.149 192 Y CB -0.555 37.965 38.460 0.100 0.000 0.976 192 Y HN 0.208 nan 8.280 nan 0.000 0.505 193 Y N 1.982 122.392 120.300 0.183 0.000 2.097 193 Y HA -0.273 4.276 4.550 -0.002 0.000 0.282 193 Y C 2.240 178.160 175.900 0.033 0.000 1.152 193 Y CA 2.450 60.636 58.100 0.144 0.000 1.136 193 Y CB -0.603 38.025 38.460 0.281 0.000 0.975 193 Y HN 0.271 nan 8.280 nan 0.000 0.498 194 K N -0.341 120.003 120.400 -0.094 0.000 2.283 194 K HA -0.116 4.203 4.320 -0.001 0.000 0.202 194 K C 1.634 178.129 176.600 -0.175 0.000 1.048 194 K CA 1.673 57.828 56.287 -0.220 0.000 0.948 194 K CB -0.277 32.167 32.500 -0.093 0.000 0.742 194 K HN 0.457 nan 8.250 nan 0.000 0.458 195 E N 0.820 120.934 120.200 -0.143 0.000 2.170 195 E HA -0.075 4.274 4.350 -0.001 0.000 0.191 195 E C 1.801 178.275 176.600 -0.209 0.000 0.981 195 E CA 1.598 57.911 56.400 -0.146 0.000 0.830 195 E CB 0.273 29.910 29.700 -0.104 0.000 0.775 195 E HN 0.548 nan 8.360 nan 0.000 0.470 196 T N -4.109 110.265 114.554 -0.300 0.000 2.999 196 T HA 0.288 4.637 4.350 -0.001 0.000 0.247 196 T C 1.591 176.212 174.700 -0.131 0.000 1.012 196 T CA 0.607 62.554 62.100 -0.255 0.000 1.048 196 T CB 0.932 69.544 68.868 -0.427 0.000 1.020 196 T HN 0.222 nan 8.240 nan 0.000 0.478 197 G N 1.726 110.447 108.800 -0.131 0.000 2.176 197 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.253 197 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.253 197 G C -0.099 174.948 174.900 0.244 0.000 0.979 197 G CA 0.059 45.112 45.100 -0.078 0.000 0.641 197 G HN 0.861 nan 8.290 nan 0.000 0.530 198 N N 0.932 119.810 118.700 0.296 0.000 2.511 198 N HA 0.506 5.245 4.740 -0.001 0.000 0.249 198 N C -2.111 173.674 175.510 0.457 0.000 0.971 198 N CA -2.325 50.924 53.050 0.332 0.000 0.938 198 N CB 1.851 40.487 38.487 0.249 0.000 1.131 198 N HN 0.047 nan 8.380 nan 0.000 0.505 199 P HA 0.035 nan 4.420 nan 0.000 0.231 199 P C -0.091 177.300 177.300 0.151 0.000 1.756 199 P CA -0.023 63.148 63.100 0.118 0.000 0.990 199 P CB -0.151 31.354 31.700 -0.325 0.000 1.973 200 L N 2.309 123.636 121.223 0.173 0.000 2.540 200 L HA -0.023 4.316 4.340 -0.001 0.000 0.276 200 L C 1.591 178.432 176.870 -0.048 0.000 1.212 200 L CA 0.168 54.988 54.840 -0.034 0.000 0.893 200 L CB -0.120 41.764 42.059 -0.292 0.000 1.138 200 L HN 0.285 nan 8.230 nan 0.000 0.491 201 L N 2.705 123.885 121.223 -0.071 0.000 4.555 201 L HA -0.318 4.021 4.340 -0.001 0.000 0.431 201 L C 0.308 177.265 176.870 0.146 0.000 1.136 201 L CA 0.823 55.633 54.840 -0.050 0.000 0.972 201 L CB -1.756 40.230 42.059 -0.122 0.000 1.999 201 L HN 0.744 nan 8.230 nan 0.000 0.900 202 W N -1.124 120.106 121.300 -0.116 0.000 4.144 202 W HA 0.629 5.288 4.660 -0.002 0.000 0.424 202 W C -0.179 176.267 176.519 -0.121 0.000 1.350 202 W CA 0.097 57.381 57.345 -0.101 0.000 0.963 202 W CB 1.650 31.046 29.460 -0.107 0.000 2.002 202 W HN -0.176 nan 8.180 nan 0.000 0.639 203 S N -0.184 115.163 115.700 -0.589 0.000 2.565 203 S HA 0.122 4.592 4.470 -0.001 0.000 0.274 203 S C -0.755 173.328 174.600 -0.861 0.000 1.144 203 S CA 0.004 57.831 58.200 -0.622 0.000 0.849 203 S CB 1.133 64.016 63.200 -0.528 0.000 1.103 203 S HN 0.501 nan 8.310 nan 0.000 0.455 204 D N 0.917 120.991 120.400 -0.543 0.000 2.379 204 D HA 0.182 4.821 4.640 -0.001 0.000 0.208 204 D C 0.080 176.220 176.300 -0.266 0.000 1.065 204 D CA -0.057 53.672 54.000 -0.452 0.000 0.848 204 D CB 0.132 40.792 40.800 -0.233 0.000 0.949 204 D HN 0.371 nan 8.370 nan 0.000 0.509 205 D N 0.080 120.319 120.400 -0.269 0.000 2.225 205 D HA 0.072 4.711 4.640 -0.001 0.000 0.248 205 D C 0.978 177.153 176.300 -0.207 0.000 1.096 205 D CA -0.714 53.180 54.000 -0.177 0.000 0.863 205 D CB 1.397 42.119 40.800 -0.131 0.000 1.156 205 D HN -0.049 nan 8.370 nan 0.000 0.450 206 L N 4.755 125.898 121.223 -0.133 0.000 2.042 206 L HA -0.073 4.266 4.340 -0.001 0.000 0.210 206 L C 1.996 178.804 176.870 -0.104 0.000 1.076 206 L CA 2.436 57.209 54.840 -0.111 0.000 0.749 206 L CB -0.817 41.211 42.059 -0.052 0.000 0.893 206 L HN 0.619 nan 8.230 nan 0.000 0.432 207 A N -1.035 121.735 122.820 -0.084 0.000 1.902 207 A HA -0.217 4.102 4.320 -0.001 0.000 0.217 207 A C 2.001 179.544 177.584 -0.069 0.000 1.181 207 A CA 1.911 53.913 52.037 -0.060 0.000 0.623 207 A CB -0.751 18.223 19.000 -0.044 0.000 0.818 207 A HN 0.521 nan 8.150 nan 0.000 0.443 208 D N -0.602 119.730 120.400 -0.115 0.000 2.149 208 D HA -0.099 4.540 4.640 -0.001 0.000 0.201 208 D C 2.188 178.386 176.300 -0.170 0.000 0.972 208 D CA 1.179 55.107 54.000 -0.120 0.000 0.835 208 D CB -0.379 40.322 40.800 -0.166 0.000 0.966 208 D HN 0.601 nan 8.370 nan 0.000 0.476 209 Q N 0.134 119.740 119.800 -0.322 0.000 2.124 209 Q HA -0.073 4.266 4.340 -0.001 0.000 0.202 209 Q C 2.195 178.174 176.000 -0.035 0.000 0.977 209 Q CA 1.128 56.676 55.803 -0.425 0.000 0.850 209 Q CB 0.046 28.463 28.738 -0.534 0.000 0.901 209 Q HN 0.103 nan 8.270 nan 0.000 0.429 210 S N 0.343 116.031 115.700 -0.019 0.000 2.368 210 S HA -0.136 4.333 4.470 -0.001 0.000 0.224 210 S C 1.840 176.483 174.600 0.072 0.000 1.029 210 S CA 0.836 59.060 58.200 0.041 0.000 0.988 210 S CB -0.058 63.143 63.200 0.002 0.000 0.838 210 S HN 0.308 nan 8.310 nan 0.000 0.462 211 Q N 1.042 120.885 119.800 0.071 0.000 2.084 211 Q HA 0.048 4.387 4.340 -0.001 0.000 0.202 211 Q C 2.198 178.372 176.000 0.290 0.000 0.978 211 Q CA 1.096 56.982 55.803 0.139 0.000 0.844 211 Q CB -0.681 28.154 28.738 0.163 0.000 0.898 211 Q HN 0.541 nan 8.270 nan 0.000 0.426 212 I N 0.974 121.714 120.570 0.284 0.000 2.208 212 I HA -0.319 3.850 4.170 -0.001 0.000 0.245 212 I C 1.892 178.257 176.117 0.412 0.000 1.097 212 I CA 1.162 62.699 61.300 0.394 0.000 1.363 212 I CB -0.386 37.853 38.000 0.399 0.000 1.051 212 I HN 0.309 nan 8.210 nan 0.000 0.413 213 N N 0.572 119.489 118.700 0.361 0.000 2.166 213 N HA -0.168 4.571 4.740 -0.001 0.000 0.186 213 N C 1.975 177.715 175.510 0.383 0.000 1.019 213 N CA 1.023 54.307 53.050 0.390 0.000 0.856 213 N CB -0.127 38.587 38.487 0.379 0.000 0.993 213 N HN 0.351 nan 8.380 nan 0.000 0.426 214 A N 1.157 124.098 122.820 0.202 0.000 1.841 214 A HA -0.179 4.141 4.320 -0.001 0.000 0.216 214 A C 1.734 179.377 177.584 0.099 0.000 1.199 214 A CA 1.397 53.448 52.037 0.025 0.000 0.621 214 A CB -1.331 17.524 19.000 -0.241 0.000 0.835 214 A HN 0.452 nan 8.150 nan 0.000 0.445 215 W N -0.731 120.726 121.300 0.262 0.000 2.350 215 W HA -0.126 4.534 4.660 -0.001 0.000 0.289 215 W C 2.029 178.757 176.519 0.348 0.000 1.215 215 W CA 0.955 58.525 57.345 0.376 0.000 1.236 215 W CB -0.436 29.238 29.460 0.357 0.000 1.130 215 W HN 0.396 nan 8.180 nan 0.000 0.541 216 L N -0.944 120.536 121.223 0.428 0.000 2.027 216 L HA -0.095 4.244 4.340 -0.001 0.000 0.206 216 L C 2.060 178.953 176.870 0.039 0.000 1.074 216 L CA 1.818 56.760 54.840 0.170 0.000 0.745 216 L CB -1.223 40.886 42.059 0.083 0.000 0.898 216 L HN -0.063 nan 8.230 nan 0.000 0.433 217 F N -1.556 118.457 119.950 0.106 0.000 2.186 217 F HA -0.226 4.301 4.527 -0.001 0.000 0.299 217 F C 2.275 178.133 175.800 0.095 0.000 1.090 217 F CA 1.680 59.717 58.000 0.062 0.000 1.307 217 F CB -0.561 38.470 39.000 0.051 0.000 1.019 217 F HN 0.171 nan 8.300 nan 0.000 0.489 218 F N 1.084 121.130 119.950 0.160 0.000 2.095 218 F HA -0.247 4.279 4.527 -0.001 0.000 0.298 218 F C 2.629 178.454 175.800 0.043 0.000 1.104 218 F CA 1.817 59.873 58.000 0.093 0.000 1.232 218 F CB -0.927 38.124 39.000 0.085 0.000 0.987 218 F HN -0.044 nan 8.300 nan 0.000 0.475 219 Q N 0.226 119.911 119.800 -0.192 0.000 2.124 219 Q HA -0.164 4.175 4.340 -0.001 0.000 0.202 219 Q C 2.081 177.830 176.000 -0.417 0.000 0.977 219 Q CA 2.428 57.871 55.803 -0.599 0.000 0.850 219 Q CB -0.542 27.549 28.738 -1.078 0.000 0.901 219 Q HN 0.605 nan 8.270 nan 0.000 0.429 220 T N -2.859 111.532 114.554 -0.271 0.000 3.014 220 T HA 0.105 4.454 4.350 -0.001 0.000 0.263 220 T C 1.904 176.507 174.700 -0.160 0.000 1.078 220 T CA 1.092 63.053 62.100 -0.231 0.000 1.135 220 T CB 0.061 68.799 68.868 -0.216 0.000 0.895 220 T HN 0.077 nan 8.240 nan 0.000 0.480 221 S N 0.660 116.313 115.700 -0.078 0.000 2.502 221 S HA 0.350 4.819 4.470 -0.001 0.000 0.228 221 S C 2.125 176.702 174.600 -0.038 0.000 1.061 221 S CA 0.340 58.536 58.200 -0.008 0.000 0.935 221 S CB -0.067 63.204 63.200 0.118 0.000 0.809 221 S HN 0.679 nan 8.310 nan 0.000 0.510 222 G N -0.339 108.402 108.800 -0.099 0.000 2.850 222 G HA2 0.094 4.053 3.960 -0.001 0.000 0.211 222 G HA3 0.094 4.053 3.960 -0.001 0.000 0.211 222 G C 0.918 175.681 174.900 -0.229 0.000 1.124 222 G CA -0.100 44.934 45.100 -0.110 0.000 0.769 222 G HN 0.476 nan 8.290 nan 0.000 0.535 223 H N 0.550 119.321 119.070 -0.499 0.000 2.283 223 H HA 0.225 4.780 4.556 -0.002 0.000 0.320 223 H C 2.788 177.809 175.328 -0.512 0.000 1.074 223 H CA 0.922 56.674 56.048 -0.492 0.000 1.476 223 H CB 0.119 29.509 29.762 -0.619 0.000 1.465 223 H HN 0.170 nan 8.280 nan 0.000 0.573 224 A N 1.662 124.008 122.820 -0.789 0.000 1.892 224 A HA -0.130 4.189 4.320 -0.001 0.000 0.218 224 A C -0.240 176.919 177.584 -0.708 0.000 1.188 224 A CA 1.968 53.246 52.037 -1.264 0.000 0.631 224 A CB -1.572 16.723 19.000 -1.176 0.000 0.822 224 A HN 0.438 nan 8.150 nan 0.000 0.447 225 P HA -0.154 nan 4.420 nan 0.000 0.215 225 P C 1.659 178.857 177.300 -0.169 0.000 1.153 225 P CA 1.274 64.246 63.100 -0.214 0.000 0.853 225 P CB -0.143 31.480 31.700 -0.129 0.000 0.788 226 M N -1.562 117.961 119.600 -0.127 0.000 2.175 226 M HA -0.071 4.408 4.480 -0.001 0.000 0.264 226 M C 2.182 178.479 176.300 -0.003 0.000 1.063 226 M CA 1.511 56.814 55.300 0.005 0.000 1.119 226 M CB -1.425 31.235 32.600 0.100 0.000 1.377 226 M HN -0.001 nan 8.290 nan 0.000 0.415 227 I N -0.273 120.241 120.570 -0.094 0.000 2.394 227 I HA -0.160 4.009 4.170 -0.001 0.000 0.251 227 I C 2.516 178.692 176.117 0.098 0.000 1.136 227 I CA 1.096 62.408 61.300 0.020 0.000 1.425 227 I CB -0.814 37.177 38.000 -0.016 0.000 1.079 227 I HN 0.311 nan 8.210 nan 0.000 0.425 228 G N 0.241 109.053 108.800 0.019 0.000 2.402 228 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.216 228 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.216 228 G C 1.552 176.461 174.900 0.014 0.000 1.162 228 G CA 0.338 45.482 45.100 0.073 0.000 0.777 228 G HN 0.260 nan 8.290 nan 0.000 0.539 229 Q N 0.763 120.477 119.800 -0.144 0.000 2.119 229 Q HA 0.056 4.395 4.340 -0.001 0.000 0.201 229 Q C 2.896 178.875 176.000 -0.034 0.000 0.972 229 Q CA 1.351 56.963 55.803 -0.317 0.000 0.847 229 Q CB -0.978 27.116 28.738 -1.073 0.000 0.903 229 Q HN 0.433 nan 8.270 nan 0.000 0.433 230 A N 1.020 123.898 122.820 0.097 0.000 1.883 230 A HA -0.148 4.171 4.320 -0.001 0.000 0.217 230 A C 2.293 179.998 177.584 0.203 0.000 1.186 230 A CA 1.287 53.469 52.037 0.242 0.000 0.624 230 A CB -0.849 18.287 19.000 0.227 0.000 0.822 230 A HN 0.321 nan 8.150 nan 0.000 0.444 231 L N -1.590 119.771 121.223 0.230 0.000 2.083 231 L HA -0.219 4.120 4.340 -0.001 0.000 0.209 231 L C 2.637 179.700 176.870 0.321 0.000 1.083 231 L CA 1.776 56.813 54.840 0.328 0.000 0.752 231 L CB -0.608 41.695 42.059 0.406 0.000 0.899 231 L HN 0.667 nan 8.230 nan 0.000 0.433 232 H N -0.167 119.005 119.070 0.169 0.000 2.290 232 H HA -0.206 4.349 4.556 -0.002 0.000 0.298 232 H C 1.988 177.265 175.328 -0.086 0.000 1.087 232 H CA 2.075 58.168 56.048 0.075 0.000 1.291 232 H CB -0.281 29.323 29.762 -0.264 0.000 1.369 232 H HN 0.193 nan 8.280 nan 0.000 0.492 233 F N -0.383 119.545 119.950 -0.037 0.000 2.259 233 F HA -0.027 4.500 4.527 -0.001 0.000 0.298 233 F C 2.693 178.395 175.800 -0.164 0.000 1.088 233 F CA 0.932 58.863 58.000 -0.115 0.000 1.358 233 F CB -0.071 38.920 39.000 -0.015 0.000 1.040 233 F HN 0.100 nan 8.300 nan 0.000 0.505 234 R N -0.267 120.183 120.500 -0.084 0.000 2.092 234 R HA -0.130 4.209 4.340 -0.001 0.000 0.231 234 R C 0.946 176.841 176.300 -0.675 0.000 1.119 234 R CA 1.978 57.825 56.100 -0.422 0.000 0.970 234 R CB -0.586 29.328 30.300 -0.644 0.000 0.864 234 R HN 0.374 nan 8.270 nan 0.000 0.440 235 Y N -3.355 116.715 120.300 -0.383 0.000 2.494 235 Y HA 0.283 4.833 4.550 -0.000 0.000 0.271 235 Y C 0.744 176.149 175.900 -0.826 0.000 1.113 235 Y CA -0.380 57.289 58.100 -0.719 0.000 1.240 235 Y CB 0.526 38.260 38.460 -1.211 0.000 1.268 235 Y HN -0.091 nan 8.280 nan 0.000 0.510 236 F N -1.704 118.215 119.950 -0.052 0.000 2.706 236 F HA 0.211 4.737 4.527 -0.002 0.000 0.313 236 F C 0.997 176.618 175.800 -0.299 0.000 1.096 236 F CA -0.345 57.570 58.000 -0.142 0.000 1.219 236 F CB 0.093 39.066 39.000 -0.045 0.000 1.051 236 F HN 0.008 nan 8.300 nan 0.000 0.568 237 H N 1.064 119.842 119.070 -0.487 0.000 2.690 237 H HA 0.015 4.570 4.556 -0.002 0.000 0.365 237 H C 1.399 176.699 175.328 -0.046 0.000 1.142 237 H CA 0.476 56.316 56.048 -0.348 0.000 1.417 237 H CB 1.475 31.080 29.762 -0.262 0.000 1.446 237 H HN 0.194 nan 8.280 nan 0.000 0.599 238 S N 2.247 117.655 115.700 -0.486 0.000 2.500 238 S HA -0.134 4.335 4.470 -0.001 0.000 0.239 238 S C 0.537 175.036 174.600 -0.168 0.000 0.989 238 S CA 0.866 58.898 58.200 -0.280 0.000 0.951 238 S CB -0.112 62.920 63.200 -0.280 0.000 0.759 238 S HN 0.720 nan 8.310 nan 0.000 0.523 239 Q N -0.531 119.198 119.800 -0.119 0.000 2.630 239 Q HA 0.460 4.799 4.340 -0.001 0.000 0.295 239 Q C -1.580 174.522 176.000 0.171 0.000 0.944 239 Q CA -1.270 54.559 55.803 0.043 0.000 0.766 239 Q CB 0.964 29.733 28.738 0.051 0.000 1.471 239 Q HN 0.103 nan 8.270 nan 0.000 0.416 240 K N 1.712 122.180 120.400 0.113 0.000 2.262 240 K HA 0.466 4.785 4.320 -0.001 0.000 0.282 240 K C -1.188 175.474 176.600 0.103 0.000 1.066 240 K CA -0.346 56.005 56.287 0.106 0.000 0.901 240 K CB 0.511 33.036 32.500 0.043 0.000 1.089 240 K HN 0.604 nan 8.250 nan 0.000 0.476 241 I N 5.320 125.955 120.570 0.108 0.000 2.464 241 I HA 0.177 4.346 4.170 -0.001 0.000 0.277 241 I C 0.878 176.966 176.117 -0.048 0.000 1.040 241 I CA -0.599 60.706 61.300 0.009 0.000 1.153 241 I CB 1.580 39.535 38.000 -0.076 0.000 1.274 241 I HN 0.799 nan 8.210 nan 0.000 0.469 242 A N 4.058 126.856 122.820 -0.036 0.000 1.908 242 A HA -0.195 4.124 4.320 -0.001 0.000 0.218 242 A C 2.396 179.937 177.584 -0.073 0.000 1.181 242 A CA 2.414 54.426 52.037 -0.043 0.000 0.627 242 A CB -0.490 18.491 19.000 -0.032 0.000 0.818 242 A HN 0.742 nan 8.150 nan 0.000 0.445 243 S N 0.185 115.828 115.700 -0.095 0.000 2.382 243 S HA 0.024 4.493 4.470 -0.001 0.000 0.228 243 S C 2.060 176.546 174.600 -0.190 0.000 1.027 243 S CA 1.311 59.438 58.200 -0.121 0.000 0.991 243 S CB -0.693 62.440 63.200 -0.112 0.000 0.823 243 S HN 0.925 nan 8.310 nan 0.000 0.469 244 A N 1.355 124.006 122.820 -0.283 0.000 1.969 244 A HA 0.119 4.438 4.320 -0.001 0.000 0.218 244 A C 2.365 179.857 177.584 -0.154 0.000 1.169 244 A CA 1.462 53.227 52.037 -0.452 0.000 0.635 244 A CB -0.900 17.374 19.000 -1.210 0.000 0.810 244 A HN 0.447 nan 8.150 nan 0.000 0.445 245 V N -0.109 119.771 119.914 -0.056 0.000 2.379 245 V HA -0.210 3.909 4.120 -0.001 0.000 0.245 245 V C 2.473 178.592 176.094 0.043 0.000 1.044 245 V CA 2.051 64.399 62.300 0.079 0.000 1.036 245 V CB -0.617 31.227 31.823 0.034 0.000 0.664 245 V HN 0.763 nan 8.190 nan 0.000 0.453 246 E N 0.662 120.846 120.200 -0.027 0.000 2.077 246 E HA -0.275 4.074 4.350 -0.001 0.000 0.193 246 E C 2.435 178.999 176.600 -0.061 0.000 0.989 246 E CA 1.413 57.795 56.400 -0.031 0.000 0.800 246 E CB -0.096 29.576 29.700 -0.047 0.000 0.746 246 E HN 0.505 nan 8.360 nan 0.000 0.452 247 R N -0.504 119.901 120.500 -0.159 0.000 2.080 247 R HA -0.200 4.139 4.340 -0.001 0.000 0.236 247 R C 2.056 178.171 176.300 -0.307 0.000 1.137 247 R CA 2.031 57.950 56.100 -0.301 0.000 0.943 247 R CB -0.440 29.535 30.300 -0.542 0.000 0.846 247 R HN 0.291 nan 8.270 nan 0.000 0.431 248 Y N -0.011 120.312 120.300 0.037 0.000 2.395 248 Y HA -0.028 4.522 4.550 -0.001 0.000 0.293 248 Y C 2.559 178.509 175.900 0.082 0.000 1.123 248 Y CA 1.343 59.488 58.100 0.074 0.000 1.227 248 Y CB 0.008 38.541 38.460 0.121 0.000 1.012 248 Y HN 0.135 nan 8.280 nan 0.000 0.552 249 T N -0.523 114.140 114.554 0.181 0.000 2.857 249 T HA -0.147 4.202 4.350 -0.001 0.000 0.266 249 T C 1.167 175.944 174.700 0.128 0.000 1.048 249 T CA 1.573 63.761 62.100 0.147 0.000 1.139 249 T CB -0.302 68.628 68.868 0.103 0.000 0.874 249 T HN 0.255 nan 8.240 nan 0.000 0.455 250 D N 0.770 121.220 120.400 0.083 0.000 2.144 250 D HA -0.074 4.565 4.640 -0.001 0.000 0.199 250 D C 2.206 178.573 176.300 0.111 0.000 0.984 250 D CA 0.952 55.000 54.000 0.080 0.000 0.834 250 D CB -0.220 40.597 40.800 0.028 0.000 0.955 250 D HN 0.356 nan 8.370 nan 0.000 0.465 251 E N 0.214 120.476 120.200 0.104 0.000 2.107 251 E HA -0.078 4.271 4.350 -0.001 0.000 0.191 251 E C 1.919 178.629 176.600 0.182 0.000 0.982 251 E CA 0.494 56.973 56.400 0.132 0.000 0.809 251 E CB -0.093 29.682 29.700 0.124 0.000 0.756 251 E HN 0.025 nan 8.360 nan 0.000 0.459 252 V N 0.709 120.744 119.914 0.202 0.000 2.515 252 V HA -0.169 3.950 4.120 -0.001 0.000 0.250 252 V C 2.401 178.697 176.094 0.336 0.000 1.058 252 V CA 1.933 64.384 62.300 0.253 0.000 1.064 252 V CB -0.436 31.524 31.823 0.229 0.000 0.675 252 V HN 0.230 nan 8.190 nan 0.000 0.461 253 R N -0.505 120.161 120.500 0.277 0.000 2.115 253 R HA -0.068 4.271 4.340 -0.001 0.000 0.226 253 R C 2.537 179.039 176.300 0.337 0.000 1.100 253 R CA 1.037 57.344 56.100 0.346 0.000 0.980 253 R CB -0.241 30.263 30.300 0.339 0.000 0.875 253 R HN 0.434 nan 8.270 nan 0.000 0.445 254 R N 1.029 121.683 120.500 0.257 0.000 2.070 254 R HA -0.119 4.220 4.340 -0.001 0.000 0.233 254 R C 2.250 178.694 176.300 0.240 0.000 1.137 254 R CA 1.943 58.179 56.100 0.227 0.000 0.945 254 R CB -0.358 30.047 30.300 0.175 0.000 0.845 254 R HN 0.203 nan 8.270 nan 0.000 0.430 255 V N -1.299 118.765 119.914 0.250 0.000 2.469 255 V HA -0.216 3.903 4.120 -0.001 0.000 0.251 255 V C 1.861 178.049 176.094 0.158 0.000 1.064 255 V CA 1.488 63.961 62.300 0.288 0.000 1.066 255 V CB -1.104 30.823 31.823 0.173 0.000 0.667 255 V HN 0.282 nan 8.190 nan 0.000 0.461 256 Y N 2.431 122.733 120.300 0.003 0.000 2.242 256 Y HA 0.147 4.696 4.550 -0.002 0.000 0.291 256 Y C 2.766 178.497 175.900 -0.283 0.000 1.137 256 Y CA 1.743 59.649 58.100 -0.324 0.000 1.181 256 Y CB -0.875 37.003 38.460 -0.969 0.000 0.989 256 Y HN 0.342 nan 8.280 nan 0.000 0.527 257 G N -0.758 108.122 108.800 0.133 0.000 2.422 257 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.218 257 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.218 257 G C 1.754 176.765 174.900 0.185 0.000 1.146 257 G CA 1.333 46.617 45.100 0.306 0.000 0.769 257 G HN 0.278 nan 8.290 nan 0.000 0.547 258 V N 0.571 120.588 119.914 0.172 0.000 2.295 258 V HA -0.177 3.942 4.120 -0.001 0.000 0.246 258 V C 3.027 179.210 176.094 0.148 0.000 1.049 258 V CA 1.588 63.986 62.300 0.163 0.000 1.024 258 V CB -0.498 31.443 31.823 0.196 0.000 0.648 258 V HN 0.256 nan 8.190 nan 0.000 0.447 259 V N 0.047 120.013 119.914 0.087 0.000 2.343 259 V HA -0.261 3.858 4.120 -0.001 0.000 0.247 259 V C 2.516 178.453 176.094 -0.262 0.000 1.051 259 V CA 2.229 64.410 62.300 -0.198 0.000 1.036 259 V CB -0.640 30.888 31.823 -0.491 0.000 0.654 259 V HN 0.623 nan 8.190 nan 0.000 0.451 260 E N 0.409 120.559 120.200 -0.083 0.000 2.051 260 E HA -0.272 4.077 4.350 -0.001 0.000 0.192 260 E C 2.208 178.807 176.600 -0.000 0.000 0.991 260 E CA 2.096 58.506 56.400 0.018 0.000 0.799 260 E CB -0.408 29.463 29.700 0.284 0.000 0.748 260 E HN 0.539 nan 8.360 nan 0.000 0.449 261 M N -0.370 119.257 119.600 0.046 0.000 2.117 261 M HA -0.154 4.325 4.480 -0.001 0.000 0.262 261 M C 2.098 178.395 176.300 -0.004 0.000 1.065 261 M CA 2.031 57.356 55.300 0.041 0.000 1.114 261 M CB -0.136 32.505 32.600 0.068 0.000 1.361 261 M HN 0.218 nan 8.290 nan 0.000 0.408 262 A N 0.759 123.565 122.820 -0.024 0.000 1.877 262 A HA -0.112 4.207 4.320 -0.001 0.000 0.216 262 A C 2.013 179.486 177.584 -0.185 0.000 1.186 262 A CA 1.494 53.499 52.037 -0.054 0.000 0.620 262 A CB -1.020 17.970 19.000 -0.018 0.000 0.822 262 A HN 0.610 nan 8.150 nan 0.000 0.443 263 L N -0.865 120.171 121.223 -0.312 0.000 2.201 263 L HA -0.157 4.182 4.340 -0.001 0.000 0.212 263 L C 3.003 179.750 176.870 -0.204 0.000 1.105 263 L CA 0.826 55.450 54.840 -0.359 0.000 0.775 263 L CB -0.473 41.281 42.059 -0.508 0.000 0.913 263 L HN 0.465 nan 8.230 nan 0.000 0.440 264 A N -0.100 122.649 122.820 -0.118 0.000 1.929 264 A HA -0.177 4.142 4.320 -0.001 0.000 0.216 264 A C 2.152 179.719 177.584 -0.029 0.000 1.176 264 A CA 1.262 53.270 52.037 -0.048 0.000 0.628 264 A CB -0.280 18.724 19.000 0.007 0.000 0.816 264 A HN 0.404 nan 8.150 nan 0.000 0.444 265 E N -0.530 119.651 120.200 -0.032 0.000 2.150 265 E HA -0.139 4.210 4.350 -0.001 0.000 0.193 265 E C 2.219 178.805 176.600 -0.024 0.000 0.985 265 E CA 0.649 57.041 56.400 -0.012 0.000 0.814 265 E CB -0.078 29.622 29.700 -0.000 0.000 0.752 265 E HN 0.383 nan 8.360 nan 0.000 0.466 266 R N 0.593 121.056 120.500 -0.062 0.000 2.092 266 R HA -0.076 4.264 4.340 -0.001 0.000 0.231 266 R C 2.277 178.544 176.300 -0.054 0.000 1.119 266 R CA 0.869 56.930 56.100 -0.065 0.000 0.970 266 R CB -0.464 29.764 30.300 -0.120 0.000 0.864 266 R HN 0.084 nan 8.270 nan 0.000 0.440 267 R N 1.678 122.138 120.500 -0.067 0.000 2.080 267 R HA -0.173 4.166 4.340 -0.001 0.000 0.236 267 R C 2.202 178.517 176.300 0.025 0.000 1.137 267 R CA 2.096 58.172 56.100 -0.041 0.000 0.943 267 R CB -0.346 29.915 30.300 -0.064 0.000 0.846 267 R HN 0.338 nan 8.270 nan 0.000 0.431 268 E N -0.291 119.932 120.200 0.038 0.000 2.085 268 E HA -0.241 4.108 4.350 -0.001 0.000 0.194 268 E C 1.768 178.393 176.600 0.042 0.000 0.994 268 E CA 1.359 57.793 56.400 0.056 0.000 0.801 268 E CB -0.218 29.510 29.700 0.048 0.000 0.743 268 E HN 0.500 nan 8.360 nan 0.000 0.453 269 A N 1.227 124.060 122.820 0.022 0.000 1.883 269 A HA -0.163 4.156 4.320 -0.001 0.000 0.217 269 A C 2.253 179.847 177.584 0.016 0.000 1.186 269 A CA 1.422 53.468 52.037 0.016 0.000 0.624 269 A CB -0.652 18.352 19.000 0.006 0.000 0.822 269 A HN 0.343 nan 8.150 nan 0.000 0.444 270 L N -0.799 120.429 121.223 0.009 0.000 2.109 270 L HA -0.108 4.231 4.340 -0.001 0.000 0.207 270 L C 2.512 179.409 176.870 0.044 0.000 1.086 270 L CA 0.674 55.509 54.840 -0.009 0.000 0.760 270 L CB -0.580 41.456 42.059 -0.040 0.000 0.910 270 L HN 0.241 nan 8.230 nan 0.000 0.437 271 V N -0.112 119.857 119.914 0.092 0.000 2.220 271 V HA -0.293 3.826 4.120 -0.001 0.000 0.246 271 V C 1.879 178.043 176.094 0.116 0.000 1.049 271 V CA 1.710 64.103 62.300 0.156 0.000 1.003 271 V CB -0.366 31.548 31.823 0.151 0.000 0.634 271 V HN 0.408 nan 8.190 nan 0.000 0.444 272 M N 0.343 119.987 119.600 0.074 0.000 3.201 272 M HA 0.042 4.521 4.480 -0.001 0.000 0.194 272 M C 0.946 177.272 176.300 0.043 0.000 1.313 272 M CA 0.632 55.962 55.300 0.051 0.000 1.332 272 M CB -0.187 32.435 32.600 0.037 0.000 1.542 272 M HN 0.286 nan 8.290 nan 0.000 0.428 273 E N 0.550 120.784 120.200 0.056 0.000 2.676 273 E HA 0.216 4.565 4.350 -0.001 0.000 0.225 273 E C -0.760 175.872 176.600 0.052 0.000 0.944 273 E CA 0.070 56.491 56.400 0.034 0.000 1.156 273 E CB 1.069 30.772 29.700 0.005 0.000 1.117 273 E HN 0.400 nan 8.360 nan 0.000 0.523 274 L N 1.048 122.329 121.223 0.097 0.000 3.953 274 L HA 0.199 4.538 4.340 -0.001 0.000 0.212 274 L C -1.964 174.985 176.870 0.131 0.000 1.067 274 L CA 0.116 55.033 54.840 0.128 0.000 1.376 274 L CB -0.049 42.120 42.059 0.183 0.000 1.648 274 L HN -0.151 nan 8.230 nan 0.000 0.727 293 R N 0.523 120.949 120.500 -0.124 0.000 2.285 293 R HA 0.102 4.441 4.340 -0.001 0.000 0.213 293 R C 0.454 176.855 176.300 0.167 0.000 1.068 293 R CA 1.228 57.298 56.100 -0.050 0.000 1.004 293 R CB -0.526 29.669 30.300 -0.175 0.000 0.873 293 R HN 0.569 nan 8.270 nan 0.000 0.467 294 F N 0.161 120.181 119.950 0.117 0.000 2.713 294 F HA 0.182 4.708 4.527 -0.002 0.000 0.294 294 F C 0.750 176.662 175.800 0.187 0.000 1.152 294 F CA -0.877 57.194 58.000 0.118 0.000 1.385 294 F CB 0.243 39.257 39.000 0.023 0.000 0.981 294 F HN -0.036 nan 8.300 nan 0.000 0.514 295 F N 0.671 120.753 119.950 0.219 0.000 2.811 295 F HA -0.004 4.522 4.527 -0.002 0.000 0.301 295 F C 1.212 177.098 175.800 0.143 0.000 1.151 295 F CA 0.906 58.993 58.000 0.145 0.000 1.412 295 F CB 0.009 39.065 39.000 0.093 0.000 1.113 295 F HN -0.047 nan 8.300 nan 0.000 0.579 296 D N -1.797 118.700 120.400 0.160 0.000 2.540 296 D HA 0.017 4.656 4.640 -0.001 0.000 0.229 296 D C -0.321 176.056 176.300 0.129 0.000 1.250 296 D CA -0.167 53.883 54.000 0.083 0.000 0.817 296 D CB -0.090 40.792 40.800 0.137 0.000 1.060 296 D HN 0.100 nan 8.370 nan 0.000 0.508 297 Y N 2.233 122.530 120.300 -0.005 0.000 2.497 297 Y HA 0.229 4.779 4.550 -0.001 0.000 0.334 297 Y C -2.027 173.713 175.900 -0.267 0.000 1.199 297 Y CA -1.823 56.211 58.100 -0.109 0.000 1.425 297 Y CB 0.456 38.808 38.460 -0.181 0.000 1.291 297 Y HN 0.020 nan 8.280 nan 0.000 0.562 298 P HA 0.031 nan 4.420 nan 0.000 0.267 298 P C -1.175 175.594 177.300 -0.886 0.000 1.205 298 P CA 0.254 62.664 63.100 -1.150 0.000 0.765 298 P CB 1.086 31.987 31.700 -1.331 0.000 0.828 299 V N 4.260 123.612 119.914 -0.938 0.000 2.680 299 V HA 0.470 4.589 4.120 -0.001 0.000 0.309 299 V C -0.440 175.082 176.094 -0.954 0.000 1.052 299 V CA -0.336 61.542 62.300 -0.703 0.000 0.908 299 V CB 1.715 33.302 31.823 -0.394 0.000 1.001 299 V HN 0.612 nan 8.190 nan 0.000 0.431 300 W N 2.836 124.089 121.300 -0.078 0.000 2.902 300 W HA 0.589 5.247 4.660 -0.003 0.000 0.346 300 W C 0.882 177.282 176.519 -0.199 0.000 1.139 300 W CA -0.753 56.554 57.345 -0.063 0.000 1.139 300 W CB 1.501 30.960 29.460 -0.003 0.000 1.439 300 W HN 0.348 nan 8.180 nan 0.000 0.558 301 L N 1.568 122.791 121.223 -0.001 0.000 2.046 301 L HA -0.044 4.295 4.340 -0.001 0.000 0.208 301 L C 0.714 177.517 176.870 -0.111 0.000 1.077 301 L CA 0.961 55.593 54.840 -0.347 0.000 0.747 301 L CB -0.632 40.988 42.059 -0.732 0.000 0.896 301 L HN 0.316 nan 8.230 nan 0.000 0.432 302 V N -3.819 116.122 119.914 0.045 0.000 2.808 302 V HA 0.760 4.879 4.120 -0.001 0.000 0.308 302 V C 0.364 176.506 176.094 0.080 0.000 1.099 302 V CA -0.226 62.128 62.300 0.090 0.000 0.920 302 V CB 1.262 33.170 31.823 0.142 0.000 1.014 302 V HN 0.352 nan 8.190 nan 0.000 0.425 303 G N 2.988 111.825 108.800 0.061 0.000 2.168 303 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.257 303 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.257 303 G C 0.249 175.192 174.900 0.071 0.000 0.997 303 G CA 0.731 45.855 45.100 0.042 0.000 0.708 303 G HN 1.792 nan 8.290 nan 0.000 0.520 304 D N -1.376 119.104 120.400 0.134 0.000 2.882 304 D HA -0.174 4.465 4.640 -0.001 0.000 0.229 304 D C 0.740 177.200 176.300 0.267 0.000 1.167 304 D CA 2.172 56.305 54.000 0.222 0.000 0.759 304 D CB -1.064 39.819 40.800 0.138 0.000 1.088 304 D HN 1.259 nan 8.370 nan 0.000 0.425 305 K N -1.139 119.325 120.400 0.107 0.000 2.508 305 K HA 0.588 4.907 4.320 -0.001 0.000 0.260 305 K C -0.543 175.675 176.600 -0.638 0.000 0.949 305 K CA -1.090 55.072 56.287 -0.208 0.000 0.834 305 K CB 2.101 34.522 32.500 -0.132 0.000 1.365 305 K HN 0.050 nan 8.250 nan 0.000 0.437 306 L N 2.763 123.309 121.223 -1.128 0.000 2.410 306 L HA 0.227 4.566 4.340 -0.001 0.000 0.273 306 L C -0.560 176.017 176.870 -0.489 0.000 1.152 306 L CA 0.486 54.585 54.840 -1.234 0.000 0.855 306 L CB 0.666 41.940 42.059 -1.307 0.000 1.129 306 L HN 1.064 nan 8.230 nan 0.000 0.463 307 T N 1.313 115.710 114.554 -0.262 0.000 2.838 307 T HA 0.331 4.680 4.350 -0.001 0.000 0.292 307 T C 1.352 176.053 174.700 0.001 0.000 1.113 307 T CA -0.427 61.636 62.100 -0.062 0.000 1.008 307 T CB 1.070 69.980 68.868 0.071 0.000 1.259 307 T HN 0.607 nan 8.240 nan 0.000 0.520 308 I N -0.733 119.865 120.570 0.048 0.000 2.657 308 I HA 0.029 4.198 4.170 -0.001 0.000 0.261 308 I C 2.376 178.571 176.117 0.130 0.000 1.212 308 I CA 1.411 62.733 61.300 0.037 0.000 1.453 308 I CB -1.013 36.979 38.000 -0.013 0.000 1.092 308 I HN 0.673 nan 8.210 nan 0.000 0.452 309 A N 1.934 124.884 122.820 0.218 0.000 1.898 309 A HA -0.176 4.143 4.320 -0.001 0.000 0.216 309 A C 2.035 179.910 177.584 0.485 0.000 1.181 309 A CA 1.970 54.221 52.037 0.357 0.000 0.620 309 A CB -0.571 18.646 19.000 0.362 0.000 0.819 309 A HN 0.533 nan 8.150 nan 0.000 0.442 310 D N 0.153 120.789 120.400 0.392 0.000 2.091 310 D HA -0.071 4.569 4.640 -0.001 0.000 0.199 310 D C 2.012 178.439 176.300 0.213 0.000 0.980 310 D CA 1.091 55.410 54.000 0.531 0.000 0.831 310 D CB -0.372 40.746 40.800 0.530 0.000 0.987 310 D HN 0.407 nan 8.370 nan 0.000 0.460 311 L N 1.292 122.563 121.223 0.080 0.000 2.127 311 L HA -0.179 4.160 4.340 -0.001 0.000 0.211 311 L C 2.628 179.538 176.870 0.068 0.000 1.089 311 L CA 0.893 55.736 54.840 0.004 0.000 0.757 311 L CB -0.478 41.558 42.059 -0.037 0.000 0.899 311 L HN -0.022 nan 8.230 nan 0.000 0.434 312 A N -0.340 122.552 122.820 0.120 0.000 2.024 312 A HA -0.190 4.129 4.320 -0.001 0.000 0.220 312 A C 1.906 179.499 177.584 0.015 0.000 1.164 312 A CA 1.542 53.597 52.037 0.029 0.000 0.643 312 A CB -0.613 18.334 19.000 -0.089 0.000 0.806 312 A HN 0.370 nan 8.150 nan 0.000 0.451 313 F N -0.569 119.417 119.950 0.060 0.000 2.387 313 F HA -0.026 4.500 4.527 -0.002 0.000 0.294 313 F C 2.431 178.314 175.800 0.139 0.000 1.093 313 F CA 0.972 59.020 58.000 0.080 0.000 1.420 313 F CB -0.631 38.386 39.000 0.028 0.000 1.086 313 F HN 0.133 nan 8.300 nan 0.000 0.531 314 V N -0.441 119.560 119.914 0.146 0.000 2.278 314 V HA -0.226 3.893 4.120 -0.001 0.000 0.251 314 V C -0.510 175.655 176.094 0.120 0.000 1.062 314 V CA 1.799 64.136 62.300 0.063 0.000 1.038 314 V CB -2.300 29.492 31.823 -0.053 0.000 0.646 314 V HN 0.129 nan 8.190 nan 0.000 0.447 315 P HA -0.080 nan 4.420 nan 0.000 0.216 315 P C 1.262 178.532 177.300 -0.050 0.000 1.150 315 P CA 1.960 65.049 63.100 -0.018 0.000 0.837 315 P CB -0.231 31.435 31.700 -0.057 0.000 0.786 316 W N -0.409 120.990 121.300 0.166 0.000 2.476 316 W HA -0.006 4.655 4.660 0.001 0.000 0.281 316 W C 2.062 178.750 176.519 0.281 0.000 1.230 316 W CA 0.431 57.907 57.345 0.217 0.000 1.287 316 W CB -1.334 28.314 29.460 0.313 0.000 1.108 316 W HN -0.104 nan 8.180 nan 0.000 0.567 317 N N 0.384 119.413 118.700 0.547 0.000 2.272 317 N HA -0.170 4.569 4.740 -0.001 0.000 0.185 317 N C 0.743 176.411 175.510 0.263 0.000 1.014 317 N CA 1.389 54.723 53.050 0.474 0.000 0.870 317 N CB -0.812 37.921 38.487 0.409 0.000 0.975 317 N HN 0.457 nan 8.380 nan 0.000 0.433 318 N N -0.550 118.251 118.700 0.167 0.000 2.467 318 N HA 0.029 4.768 4.740 -0.001 0.000 0.184 318 N C 1.040 176.584 175.510 0.055 0.000 1.106 318 N CA -0.048 53.049 53.050 0.080 0.000 0.892 318 N CB 0.553 39.045 38.487 0.008 0.000 0.969 318 N HN -0.005 nan 8.380 nan 0.000 0.454 319 V N 0.404 120.373 119.914 0.091 0.000 3.125 319 V HA -0.058 4.061 4.120 -0.001 0.000 0.249 319 V C 2.084 178.256 176.094 0.129 0.000 1.113 319 V CA 0.546 62.892 62.300 0.075 0.000 1.106 319 V CB 0.290 32.140 31.823 0.044 0.000 0.768 319 V HN 0.219 nan 8.190 nan 0.000 0.468 320 V N 0.085 120.098 119.914 0.165 0.000 3.284 320 V HA -0.202 3.917 4.120 -0.001 0.000 0.273 320 V C 1.832 177.980 176.094 0.091 0.000 1.178 320 V CA 1.909 64.286 62.300 0.127 0.000 1.177 320 V CB -1.298 30.551 31.823 0.043 0.000 0.793 320 V HN 0.734 nan 8.190 nan 0.000 0.536 321 D N 1.093 121.544 120.400 0.085 0.000 2.194 321 D HA -0.182 4.457 4.640 -0.001 0.000 0.204 321 D C 2.107 178.463 176.300 0.093 0.000 0.964 321 D CA 0.909 54.953 54.000 0.073 0.000 0.846 321 D CB -0.299 40.535 40.800 0.057 0.000 0.962 321 D HN 0.466 nan 8.370 nan 0.000 0.490 322 R N 0.880 121.448 120.500 0.112 0.000 2.159 322 R HA -0.028 4.311 4.340 -0.001 0.000 0.237 322 R C 2.155 178.603 176.300 0.247 0.000 1.131 322 R CA 0.978 57.180 56.100 0.170 0.000 0.982 322 R CB -0.392 29.998 30.300 0.150 0.000 0.868 322 R HN 0.422 nan 8.270 nan 0.000 0.453 323 I N -3.582 117.096 120.570 0.179 0.000 3.884 323 I HA 0.404 4.573 4.170 -0.001 0.000 0.330 323 I C 0.590 176.762 176.117 0.091 0.000 1.451 323 I CA 0.170 61.552 61.300 0.136 0.000 1.165 323 I CB 0.572 38.659 38.000 0.144 0.000 1.097 323 I HN 0.132 nan 8.210 nan 0.000 0.404 324 G N 2.076 110.928 108.800 0.086 0.000 2.148 324 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.254 324 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.254 324 G C 0.058 174.992 174.900 0.057 0.000 0.981 324 G CA 0.162 45.298 45.100 0.061 0.000 0.670 324 G HN 0.515 nan 8.290 nan 0.000 0.528 325 I N 0.587 121.196 120.570 0.065 0.000 2.365 325 I HA 0.250 4.419 4.170 -0.001 0.000 0.291 325 I C 0.461 176.610 176.117 0.054 0.000 1.004 325 I CA -0.442 60.897 61.300 0.066 0.000 1.311 325 I CB 1.534 39.561 38.000 0.045 0.000 1.401 325 I HN 0.209 nan 8.210 nan 0.000 0.491 326 N N 6.339 125.071 118.700 0.054 0.000 2.706 326 N HA 0.336 5.075 4.740 -0.001 0.000 0.240 326 N C 0.975 176.524 175.510 0.064 0.000 1.039 326 N CA -0.358 52.712 53.050 0.032 0.000 0.888 326 N CB 0.737 39.217 38.487 -0.011 0.000 1.128 326 N HN 0.584 nan 8.380 nan 0.000 0.512 327 I N 2.309 122.959 120.570 0.134 0.000 2.118 327 I HA -0.326 3.843 4.170 -0.001 0.000 0.241 327 I C 2.533 178.740 176.117 0.150 0.000 1.070 327 I CA 1.214 62.674 61.300 0.267 0.000 1.327 327 I CB -0.170 38.003 38.000 0.289 0.000 1.034 327 I HN 0.599 nan 8.210 nan 0.000 0.405 328 K N 1.254 121.618 120.400 -0.061 0.000 2.160 328 K HA -0.206 4.114 4.320 -0.001 0.000 0.206 328 K C 1.968 178.413 176.600 -0.258 0.000 1.047 328 K CA 1.676 57.680 56.287 -0.472 0.000 0.930 328 K CB -0.037 31.953 32.500 -0.851 0.000 0.720 328 K HN 0.363 nan 8.250 nan 0.000 0.450 329 I N 0.077 120.552 120.570 -0.159 0.000 2.628 329 I HA -0.115 4.054 4.170 -0.001 0.000 0.255 329 I C 1.664 177.678 176.117 -0.171 0.000 1.119 329 I CA 0.623 61.840 61.300 -0.138 0.000 1.448 329 I CB 0.059 37.990 38.000 -0.115 0.000 1.133 329 I HN 0.150 nan 8.210 nan 0.000 0.438 330 E N 0.507 120.558 120.200 -0.248 0.000 2.318 330 E HA 0.036 4.385 4.350 -0.001 0.000 0.193 330 E C -0.249 175.791 176.600 -0.933 0.000 0.998 330 E CA 0.718 56.756 56.400 -0.604 0.000 0.859 330 E CB 0.286 29.532 29.700 -0.757 0.000 0.812 330 E HN 0.334 nan 8.360 nan 0.000 0.492 331 F N -0.047 119.940 119.950 0.062 0.000 2.710 331 F HA 0.295 4.821 4.527 -0.002 0.000 0.345 331 F C -2.215 173.666 175.800 0.136 0.000 1.362 331 F CA -2.200 55.867 58.000 0.113 0.000 1.175 331 F CB 1.567 40.673 39.000 0.176 0.000 1.561 331 F HN -0.159 nan 8.300 nan 0.000 0.593 332 P HA -0.226 nan 4.420 nan 0.000 0.214 332 P C 1.613 179.039 177.300 0.210 0.000 1.169 332 P CA 1.750 64.965 63.100 0.191 0.000 0.908 332 P CB 0.385 32.167 31.700 0.137 0.000 0.791 333 E N -0.615 119.664 120.200 0.133 0.000 2.085 333 E HA -0.117 4.232 4.350 -0.001 0.000 0.194 333 E C 2.136 178.806 176.600 0.117 0.000 0.994 333 E CA 1.012 57.433 56.400 0.036 0.000 0.801 333 E CB -1.176 28.491 29.700 -0.055 0.000 0.743 333 E HN 0.088 nan 8.360 nan 0.000 0.453 334 V N 1.054 121.098 119.914 0.217 0.000 2.490 334 V HA -0.255 3.864 4.120 -0.001 0.000 0.250 334 V C 2.166 178.521 176.094 0.436 0.000 1.061 334 V CA 1.637 64.157 62.300 0.366 0.000 1.064 334 V CB -0.642 31.436 31.823 0.424 0.000 0.670 334 V HN 0.229 nan 8.190 nan 0.000 0.461 335 Y N 1.412 121.849 120.300 0.228 0.000 2.133 335 Y HA -0.201 4.347 4.550 -0.002 0.000 0.287 335 Y C 2.480 178.438 175.900 0.097 0.000 1.134 335 Y CA 1.720 59.912 58.100 0.154 0.000 1.133 335 Y CB -0.274 38.252 38.460 0.111 0.000 0.987 335 Y HN 0.173 nan 8.280 nan 0.000 0.502 336 K N -1.165 119.236 120.400 0.002 0.000 2.032 336 K HA -0.263 4.056 4.320 -0.001 0.000 0.209 336 K C 1.965 178.544 176.600 -0.036 0.000 1.048 336 K CA 1.766 57.972 56.287 -0.135 0.000 0.927 336 K CB -0.862 31.614 32.500 -0.039 0.000 0.712 336 K HN 0.453 nan 8.250 nan 0.000 0.441 337 W N 2.443 123.659 121.300 -0.140 0.000 2.318 337 W HA -0.219 4.441 4.660 0.000 0.000 0.313 337 W C 1.992 178.481 176.519 -0.049 0.000 1.221 337 W CA 2.126 59.384 57.345 -0.145 0.000 1.266 337 W CB -0.781 28.585 29.460 -0.156 0.000 1.150 337 W HN -0.036 nan 8.180 nan 0.000 0.496 338 T N 1.121 115.646 114.554 -0.048 0.000 2.708 338 T HA -0.193 4.156 4.350 -0.001 0.000 0.266 338 T C 1.814 176.396 174.700 -0.197 0.000 1.037 338 T CA 1.720 63.703 62.100 -0.194 0.000 1.146 338 T CB -0.310 68.528 68.868 -0.049 0.000 0.865 338 T HN -0.066 nan 8.240 nan 0.000 0.435 339 K N 0.832 121.056 120.400 -0.293 0.000 2.063 339 K HA -0.096 4.223 4.320 -0.001 0.000 0.208 339 K C 2.187 178.648 176.600 -0.233 0.000 1.048 339 K CA 1.296 57.385 56.287 -0.329 0.000 0.928 339 K CB -0.690 31.493 32.500 -0.528 0.000 0.713 339 K HN 0.514 nan 8.250 nan 0.000 0.442 340 H N 0.430 119.414 119.070 -0.143 0.000 2.319 340 H HA -0.026 4.530 4.556 -0.001 0.000 0.299 340 H C 2.230 177.561 175.328 0.005 0.000 1.092 340 H CA 1.554 57.563 56.048 -0.065 0.000 1.302 340 H CB -0.085 29.629 29.762 -0.080 0.000 1.373 340 H HN 0.183 nan 8.280 nan 0.000 0.497 341 M N -0.479 119.192 119.600 0.119 0.000 2.117 341 M HA -0.156 4.323 4.480 -0.001 0.000 0.262 341 M C 2.316 178.608 176.300 -0.014 0.000 1.065 341 M CA 1.120 56.447 55.300 0.046 0.000 1.114 341 M CB -0.113 32.445 32.600 -0.070 0.000 1.361 341 M HN 0.139 nan 8.290 nan 0.000 0.408 342 M N -0.258 119.312 119.600 -0.049 0.000 2.279 342 M HA -0.152 4.327 4.480 -0.001 0.000 0.264 342 M C 1.752 178.034 176.300 -0.030 0.000 1.062 342 M CA 1.616 56.887 55.300 -0.047 0.000 1.099 342 M CB -0.976 31.583 32.600 -0.069 0.000 1.394 342 M HN 0.267 nan 8.290 nan 0.000 0.426 343 R N -0.347 120.140 120.500 -0.023 0.000 2.297 343 R HA 0.108 4.447 4.340 -0.001 0.000 0.197 343 R C 0.314 176.617 176.300 0.004 0.000 0.943 343 R CA -0.027 56.066 56.100 -0.011 0.000 1.038 343 R CB 0.102 30.394 30.300 -0.013 0.000 0.957 343 R HN 0.376 nan 8.270 nan 0.000 0.484 344 R N 1.060 121.564 120.500 0.007 0.000 2.491 344 R HA 0.063 4.402 4.340 -0.001 0.000 0.283 344 R C -1.812 174.486 176.300 -0.004 0.000 1.072 344 R CA -1.581 54.520 56.100 0.000 0.000 1.048 344 R CB 0.340 30.633 30.300 -0.012 0.000 0.983 344 R HN -0.138 nan 8.270 nan 0.000 0.450 345 P HA -0.204 nan 4.420 nan 0.000 0.215 345 P C 0.956 178.259 177.300 0.004 0.000 1.157 345 P CA 1.521 64.622 63.100 0.002 0.000 0.868 345 P CB 0.156 31.856 31.700 0.000 0.000 0.788 346 A N -0.676 122.138 122.820 -0.009 0.000 1.940 346 A HA -0.190 4.129 4.320 -0.001 0.000 0.219 346 A C 2.311 179.901 177.584 0.011 0.000 1.176 346 A CA 2.029 54.062 52.037 -0.007 0.000 0.631 346 A CB -1.776 17.198 19.000 -0.044 0.000 0.814 346 A HN 0.031 nan 8.150 nan 0.000 0.446 347 V N 0.196 120.110 119.914 0.000 0.000 2.244 347 V HA -0.265 3.855 4.120 -0.001 0.000 0.244 347 V C 2.421 178.536 176.094 0.036 0.000 1.042 347 V CA 1.996 64.303 62.300 0.012 0.000 1.006 347 V CB -0.772 31.046 31.823 -0.008 0.000 0.641 347 V HN 0.583 nan 8.190 nan 0.000 0.446 348 I N 0.013 120.596 120.570 0.023 0.000 2.194 348 I HA -0.343 3.826 4.170 -0.001 0.000 0.246 348 I C 2.624 178.772 176.117 0.051 0.000 1.093 348 I CA 2.087 63.404 61.300 0.028 0.000 1.355 348 I CB -0.489 37.520 38.000 0.015 0.000 1.046 348 I HN 0.313 nan 8.210 nan 0.000 0.413 349 K N 1.127 121.559 120.400 0.054 0.000 2.097 349 K HA -0.195 4.124 4.320 -0.001 0.000 0.206 349 K C 2.182 178.852 176.600 0.116 0.000 1.049 349 K CA 1.486 57.815 56.287 0.070 0.000 0.933 349 K CB -0.055 32.480 32.500 0.058 0.000 0.717 349 K HN 0.325 nan 8.250 nan 0.000 0.442 350 A N 1.279 124.181 122.820 0.137 0.000 1.854 350 A HA -0.076 4.243 4.320 -0.001 0.000 0.214 350 A C 2.056 179.825 177.584 0.309 0.000 1.192 350 A CA 1.089 53.250 52.037 0.206 0.000 0.611 350 A CB -0.598 18.496 19.000 0.158 0.000 0.832 350 A HN 0.301 nan 8.150 nan 0.000 0.442 351 L N -1.050 120.326 121.223 0.256 0.000 2.362 351 L HA -0.080 4.259 4.340 -0.001 0.000 0.219 351 L C 2.675 179.654 176.870 0.182 0.000 1.134 351 L CA 1.320 56.306 54.840 0.243 0.000 0.807 351 L CB -0.365 41.723 42.059 0.049 0.000 0.927 351 L HN 0.477 nan 8.230 nan 0.000 0.447 352 R N 0.357 120.953 120.500 0.159 0.000 2.156 352 R HA 0.071 4.411 4.340 -0.001 0.000 0.207 352 R C 1.264 177.654 176.300 0.150 0.000 1.040 352 R CA 0.543 56.709 56.100 0.110 0.000 1.013 352 R CB 0.120 30.458 30.300 0.065 0.000 0.931 352 R HN 0.267 nan 8.270 nan 0.000 0.465 353 G N 0.000 108.913 108.800 0.189 0.000 5.446 353 G HA2 0.000 3.959 3.960 -0.001 0.000 0.244 353 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 353 G CA 0.000 45.203 45.100 0.171 0.000 0.502 353 G HN 0.000 nan 8.290 nan 0.000 0.925