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 2jd5_1_A DATA FIRST_RESID 144 DATA SEQUENCE FHPAFKGEPY KDARYILVRK LGWGHFSTVW LAKDMVNNTH VAMKIVRGDK DATA SEQUENCE VYTEAAEDEI KLLQRVNDAD NTKEDSMGAN HILKLLDHFN HKGPNGVHVV DATA SEQUENCE MVFEVLGENL LALIKKYEHR GIPLIYVKQI SKQLLLGLDY MHRRCGIIHT DATA SEQUENCE DIKPENVLME IVDXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXSPENL DATA SEQUENCE IQIKIADLGN ACWYDEHYTN SIQTREYRSP EVLLGAPWGC GADIWSTACL DATA SEQUENCE IFELITGDFL FXXXXXXXXT KDDDHIAQII ELLGELPSYL LRNGKYTRTF DATA SEQUENCE FNSXXLLRNI SKLKFWPLED VLTEKYKFSK DEAKEISDFL SPMLQLDPRK DATA SEQUENCE RADAGGLVNH PWLKDTLGME EIRVPDRELY GSGSDIPGWF EEVRD 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 144 F HA 0.000 nan 4.527 nan 0.000 0.279 144 F C 0.000 175.713 175.800 -0.145 0.000 0.967 144 F CA 0.000 58.004 58.000 0.006 0.000 1.383 144 F CB 0.000 38.980 39.000 -0.034 0.000 1.145 145 H N 5.466 124.725 119.070 0.314 0.000 2.725 145 H HA 0.307 4.863 4.556 -0.000 0.000 0.283 145 H C -1.771 173.694 175.328 0.229 0.000 1.110 145 H CA -1.561 54.562 56.048 0.126 0.000 1.289 145 H CB 1.020 30.862 29.762 0.134 0.000 1.400 145 H HN 0.281 nan 8.280 nan 0.000 0.493 146 P HA 0.026 nan 4.420 nan 0.000 0.233 146 P C 0.348 177.834 177.300 0.309 0.000 1.167 146 P CA 0.114 63.415 63.100 0.335 0.000 0.770 146 P CB 0.311 32.202 31.700 0.318 0.000 0.837 147 A N 1.141 124.050 122.820 0.148 0.000 2.567 147 A HA 0.325 4.644 4.320 -0.000 0.000 0.240 147 A C 0.023 177.606 177.584 -0.002 0.000 1.053 147 A CA 0.124 52.087 52.037 -0.125 0.000 0.755 147 A CB -0.962 17.803 19.000 -0.392 0.000 0.978 147 A HN 0.316 nan 8.150 nan 0.000 0.507 148 F N 0.030 119.862 119.950 -0.198 0.000 2.588 148 F HA 0.634 5.160 4.527 -0.000 0.000 0.310 148 F C -0.227 175.505 175.800 -0.113 0.000 1.082 148 F CA -1.582 56.392 58.000 -0.042 0.000 0.929 148 F CB 1.408 40.440 39.000 0.053 0.000 1.254 148 F HN 0.576 nan 8.300 nan 0.000 0.455 149 K N 1.600 122.163 120.400 0.271 0.000 2.466 149 K HA 0.382 4.702 4.320 -0.000 0.000 0.278 149 K C 1.037 177.763 176.600 0.210 0.000 1.048 149 K CA 1.592 58.010 56.287 0.217 0.000 1.088 149 K CB -0.237 32.434 32.500 0.285 0.000 0.884 149 K HN 1.309 nan 8.250 nan 0.000 0.478 150 G N 2.828 111.665 108.800 0.062 0.000 2.213 150 G HA2 -0.272 3.687 3.960 -0.000 0.000 0.226 150 G HA3 -0.272 3.687 3.960 -0.000 0.000 0.226 150 G C -0.080 174.817 174.900 -0.006 0.000 0.992 150 G CA 0.106 45.260 45.100 0.088 0.000 0.632 150 G HN 0.693 nan 8.290 nan 0.000 0.511 151 E N 2.768 122.776 120.200 -0.320 0.000 2.366 151 E HA 0.329 4.678 4.350 -0.000 0.000 0.266 151 E C -1.974 174.593 176.600 -0.054 0.000 1.015 151 E CA -1.364 54.750 56.400 -0.477 0.000 0.906 151 E CB 0.914 29.934 29.700 -1.134 0.000 0.979 151 E HN 0.279 nan 8.360 nan 0.000 0.443 152 P HA 0.109 nan 4.420 nan 0.000 0.284 152 P C -1.452 175.911 177.300 0.105 0.000 1.253 152 P CA -0.066 63.084 63.100 0.084 0.000 0.800 152 P CB 0.544 32.249 31.700 0.009 0.000 0.961 153 Y N 0.683 120.986 120.300 0.005 0.000 2.536 153 Y HA 0.329 4.879 4.550 -0.000 0.000 0.347 153 Y C 0.855 176.666 175.900 -0.148 0.000 1.000 153 Y CA -1.110 57.045 58.100 0.091 0.000 1.051 153 Y CB 1.635 40.220 38.460 0.207 0.000 1.259 153 Y HN 0.430 nan 8.280 nan 0.000 0.468 154 K N 3.036 123.270 120.400 -0.276 0.000 5.230 154 K HA -0.304 4.016 4.320 -0.000 0.000 0.331 154 K C -0.822 175.588 176.600 -0.317 0.000 0.863 154 K CA 1.039 56.962 56.287 -0.606 0.000 1.030 154 K CB -0.960 30.701 32.500 -1.397 0.000 1.845 154 K HN 0.890 nan 8.250 nan 0.000 0.404 155 D N 0.372 120.657 120.400 -0.191 0.000 2.911 155 D HA -0.262 4.378 4.640 -0.000 0.000 0.227 155 D C 0.406 176.623 176.300 -0.140 0.000 1.164 155 D CA 1.710 55.622 54.000 -0.147 0.000 0.782 155 D CB -1.470 39.240 40.800 -0.149 0.000 1.094 155 D HN 1.224 nan 8.370 nan 0.000 0.425 156 A N -1.138 121.610 122.820 -0.119 0.000 2.930 156 A HA -0.359 3.961 4.320 -0.000 0.000 0.273 156 A C 1.552 179.043 177.584 -0.155 0.000 1.435 156 A CA 2.076 54.058 52.037 -0.091 0.000 0.780 156 A CB -1.994 16.963 19.000 -0.071 0.000 1.034 156 A HN 0.549 nan 8.150 nan 0.000 0.562 157 R N -1.337 119.005 120.500 -0.264 0.000 2.112 157 R HA 0.188 4.528 4.340 -0.000 0.000 0.216 157 R C 0.085 176.039 176.300 -0.577 0.000 1.080 157 R CA 1.315 57.116 56.100 -0.498 0.000 0.996 157 R CB 0.129 29.952 30.300 -0.795 0.000 0.902 157 R HN 0.675 nan 8.270 nan 0.000 0.449 158 Y N 0.452 120.712 120.300 -0.067 0.000 2.393 158 Y HA 0.456 5.006 4.550 -0.000 0.000 0.341 158 Y C -0.255 175.626 175.900 -0.031 0.000 0.988 158 Y CA -1.355 56.714 58.100 -0.052 0.000 1.078 158 Y CB 1.764 40.201 38.460 -0.039 0.000 1.203 158 Y HN -0.148 nan 8.280 nan 0.000 0.453 159 I N 4.204 124.814 120.570 0.067 0.000 2.433 159 I HA 0.291 4.461 4.170 -0.000 0.000 0.292 159 I C -0.112 175.973 176.117 -0.052 0.000 1.001 159 I CA -0.985 60.320 61.300 0.009 0.000 1.119 159 I CB 1.485 39.483 38.000 -0.004 0.000 1.289 159 I HN 0.566 nan 8.210 nan 0.000 0.438 160 L N 5.100 126.242 121.223 -0.135 0.000 2.467 160 L HA 0.228 4.568 4.340 -0.000 0.000 0.270 160 L C 0.966 177.863 176.870 0.046 0.000 1.205 160 L CA 0.072 54.819 54.840 -0.155 0.000 0.828 160 L CB 0.910 42.657 42.059 -0.521 0.000 1.101 160 L HN 0.448 nan 8.230 nan 0.000 0.479 161 V N 0.729 120.773 119.914 0.217 0.000 3.177 161 V HA 0.197 4.317 4.120 -0.000 0.000 0.219 161 V C 0.004 176.289 176.094 0.318 0.000 1.344 161 V CA 0.238 62.671 62.300 0.222 0.000 1.324 161 V CB 0.808 32.735 31.823 0.174 0.000 1.165 161 V HN 1.013 nan 8.190 nan 0.000 0.510 162 R N -0.193 120.525 120.500 0.364 0.000 2.741 162 R HA 0.449 4.788 4.340 -0.000 0.000 0.276 162 R C -1.445 174.628 176.300 -0.377 0.000 1.028 162 R CA -0.918 55.223 56.100 0.067 0.000 0.865 162 R CB 1.211 31.509 30.300 -0.004 0.000 1.268 162 R HN -0.053 nan 8.270 nan 0.000 0.475 163 K N 0.709 120.548 120.400 -0.936 0.000 2.168 163 K HA 0.263 4.583 4.320 -0.000 0.000 0.258 163 K C 0.126 176.443 176.600 -0.472 0.000 1.010 163 K CA -0.225 55.410 56.287 -1.088 0.000 0.929 163 K CB 0.760 32.646 32.500 -1.024 0.000 0.998 163 K HN 0.483 nan 8.250 nan 0.000 0.479 164 L N -0.109 120.896 121.223 -0.364 0.000 2.730 164 L HA 0.244 4.584 4.340 -0.000 0.000 0.236 164 L C 0.704 177.487 176.870 -0.144 0.000 1.061 164 L CA -0.121 54.613 54.840 -0.176 0.000 0.898 164 L CB 1.104 43.112 42.059 -0.084 0.000 1.270 164 L HN 0.819 nan 8.230 nan 0.000 0.500 165 G N -1.875 106.824 108.800 -0.168 0.000 2.755 165 G HA2 0.401 4.361 3.960 -0.000 0.000 0.297 165 G HA3 0.401 4.361 3.960 -0.000 0.000 0.297 165 G C -1.991 172.842 174.900 -0.111 0.000 1.441 165 G CA 0.099 45.135 45.100 -0.106 0.000 0.964 165 G HN 0.002 nan 8.290 nan 0.000 0.540 166 W N 1.918 123.166 121.300 -0.086 0.000 2.313 166 W HA 0.761 5.421 4.660 -0.000 0.000 0.315 166 W C 0.406 176.925 176.519 0.000 0.000 0.917 166 W CA -0.936 56.364 57.345 -0.076 0.000 1.626 166 W CB 0.912 30.296 29.460 -0.127 0.000 1.574 166 W HN 1.151 nan 8.180 nan 0.000 0.395 167 G N -1.053 107.774 108.800 0.046 0.000 2.580 167 G HA2 0.407 4.367 3.960 -0.000 0.000 0.278 167 G HA3 0.407 4.367 3.960 -0.000 0.000 0.278 167 G C 0.767 175.747 174.900 0.133 0.000 1.212 167 G CA 0.535 45.692 45.100 0.096 0.000 0.939 167 G HN 1.610 nan 8.290 nan 0.000 0.513 168 H N -1.507 117.663 119.070 0.168 0.000 2.470 168 H HA 0.078 4.634 4.556 -0.000 0.000 0.289 168 H C 1.852 177.357 175.328 0.295 0.000 1.033 168 H CA 1.614 57.781 56.048 0.198 0.000 1.331 168 H CB -0.099 29.774 29.762 0.184 0.000 1.414 168 H HN 0.447 nan 8.280 nan 0.000 0.545 169 F N 1.422 121.456 119.950 0.140 0.000 2.387 169 F HA 0.281 4.808 4.527 -0.000 0.000 0.294 169 F C 0.961 176.823 175.800 0.102 0.000 1.093 169 F CA 0.977 59.097 58.000 0.200 0.000 1.420 169 F CB 0.518 39.624 39.000 0.177 0.000 1.086 169 F HN 0.555 nan 8.300 nan 0.000 0.531 170 S N -2.120 113.614 115.700 0.056 0.000 2.694 170 S HA 0.482 4.952 4.470 -0.000 0.000 0.273 170 S C -0.762 173.865 174.600 0.044 0.000 1.180 170 S CA -0.817 57.340 58.200 -0.072 0.000 0.864 170 S CB 1.611 64.700 63.200 -0.186 0.000 1.198 170 S HN -0.090 nan 8.310 nan 0.000 0.499 171 T N 1.158 115.742 114.554 0.050 0.000 2.824 171 T HA 0.666 5.016 4.350 -0.000 0.000 0.282 171 T C -0.916 173.846 174.700 0.104 0.000 0.993 171 T CA -0.499 61.651 62.100 0.083 0.000 0.967 171 T CB 1.450 70.439 68.868 0.202 0.000 0.960 171 T HN 0.639 nan 8.240 nan 0.000 0.441 172 V N 3.562 123.488 119.914 0.020 0.000 2.394 172 V HA 0.492 4.612 4.120 -0.000 0.000 0.282 172 V C -0.888 175.186 176.094 -0.034 0.000 1.031 172 V CA -0.787 61.540 62.300 0.045 0.000 0.881 172 V CB 0.786 32.632 31.823 0.038 0.000 0.982 172 V HN 0.814 nan 8.190 nan 0.000 0.451 173 W N 3.909 125.145 121.300 -0.108 0.000 2.706 173 W HA 0.694 5.354 4.660 -0.000 0.000 0.346 173 W C -0.481 175.983 176.519 -0.091 0.000 1.071 173 W CA -0.831 56.444 57.345 -0.116 0.000 1.206 173 W CB 1.761 31.102 29.460 -0.199 0.000 1.413 173 W HN 0.389 nan 8.180 nan 0.000 0.542 174 L N 3.031 124.378 121.223 0.207 0.000 2.276 174 L HA 0.808 5.148 4.340 -0.000 0.000 0.286 174 L C -0.285 176.671 176.870 0.144 0.000 1.061 174 L CA -0.231 54.702 54.840 0.155 0.000 0.807 174 L CB 0.122 42.273 42.059 0.154 0.000 1.177 174 L HN 0.455 nan 8.230 nan 0.000 0.429 175 A N 4.924 127.776 122.820 0.053 0.000 2.527 175 A HA 0.681 5.001 4.320 -0.000 0.000 0.293 175 A C -1.231 176.272 177.584 -0.134 0.000 1.117 175 A CA -0.856 51.164 52.037 -0.028 0.000 0.723 175 A CB 1.196 20.163 19.000 -0.055 0.000 1.313 175 A HN 0.681 nan 8.150 nan 0.000 0.411 176 K N 1.156 121.459 120.400 -0.161 0.000 2.265 176 K HA 0.245 4.565 4.320 -0.000 0.000 0.267 176 K C -1.251 175.334 176.600 -0.026 0.000 0.994 176 K CA -0.454 55.678 56.287 -0.258 0.000 0.860 176 K CB 0.910 33.236 32.500 -0.291 0.000 1.099 176 K HN 0.652 nan 8.250 nan 0.000 0.448 177 D N 6.247 126.671 120.400 0.039 0.000 2.435 177 D HA 0.022 4.661 4.640 -0.000 0.000 0.230 177 D C 0.912 177.158 176.300 -0.089 0.000 1.215 177 D CA -0.219 53.798 54.000 0.028 0.000 0.947 177 D CB 0.671 41.563 40.800 0.154 0.000 1.048 177 D HN 0.571 nan 8.370 nan 0.000 0.512 178 M N 2.862 122.367 119.600 -0.159 0.000 2.706 178 M HA -0.070 4.410 4.480 -0.000 0.000 0.251 178 M C 1.311 177.538 176.300 -0.120 0.000 1.070 178 M CA 0.433 55.661 55.300 -0.121 0.000 1.073 178 M CB -0.336 32.188 32.600 -0.125 0.000 1.449 178 M HN 0.197 nan 8.290 nan 0.000 0.531 179 V N -0.271 119.550 119.914 -0.155 0.000 3.621 179 V HA 0.096 4.215 4.120 -0.000 0.000 0.285 179 V C 0.899 176.959 176.094 -0.058 0.000 1.346 179 V CA 0.499 62.728 62.300 -0.117 0.000 1.104 179 V CB -0.385 31.341 31.823 -0.161 0.000 0.913 179 V HN 0.457 nan 8.190 nan 0.000 0.432 180 N N 0.416 119.097 118.700 -0.032 0.000 2.039 180 N HA 0.066 4.805 4.740 -0.000 0.000 0.228 180 N C 0.433 175.956 175.510 0.023 0.000 1.369 180 N CA 0.130 53.184 53.050 0.007 0.000 0.806 180 N CB 0.222 38.729 38.487 0.033 0.000 1.190 180 N HN 0.380 nan 8.380 nan 0.000 0.506 181 N N 1.361 120.067 118.700 0.011 0.000 2.710 181 N HA -0.196 4.543 4.740 -0.000 0.000 0.249 181 N C -0.565 174.991 175.510 0.077 0.000 1.059 181 N CA 1.444 54.513 53.050 0.031 0.000 0.720 181 N CB -0.889 37.615 38.487 0.029 0.000 0.983 181 N HN 0.478 nan 8.380 nan 0.000 0.544 182 T N -4.375 110.232 114.554 0.089 0.000 2.807 182 T HA 0.613 4.963 4.350 -0.000 0.000 0.277 182 T C -0.397 174.416 174.700 0.189 0.000 1.006 182 T CA -0.707 61.492 62.100 0.164 0.000 1.006 182 T CB 1.463 70.409 68.868 0.130 0.000 1.274 182 T HN 0.170 nan 8.240 nan 0.000 0.569 183 H N -0.968 118.145 119.070 0.071 0.000 2.569 183 H HA 0.751 5.307 4.556 -0.000 0.000 0.357 183 H C -0.207 175.170 175.328 0.083 0.000 1.153 183 H CA -0.323 55.771 56.048 0.077 0.000 1.193 183 H CB 1.807 31.604 29.762 0.058 0.000 1.602 183 H HN 0.775 nan 8.280 nan 0.000 0.523 184 V N -0.716 119.289 119.914 0.151 0.000 3.114 184 V HA 0.912 5.031 4.120 -0.000 0.000 0.308 184 V C -0.694 175.437 176.094 0.061 0.000 1.168 184 V CA -1.231 61.129 62.300 0.099 0.000 1.015 184 V CB 1.832 33.685 31.823 0.049 0.000 1.050 184 V HN 0.935 nan 8.190 nan 0.000 0.433 185 A N 4.879 127.742 122.820 0.072 0.000 2.260 185 A HA 0.826 5.146 4.320 -0.000 0.000 0.308 185 A C -0.124 177.458 177.584 -0.002 0.000 1.254 185 A CA -0.636 51.451 52.037 0.082 0.000 0.874 185 A CB 0.462 19.560 19.000 0.162 0.000 1.153 185 A HN 0.865 nan 8.150 nan 0.000 0.527 186 M N 2.594 122.164 119.600 -0.051 0.000 2.238 186 M HA 0.330 4.810 4.480 -0.000 0.000 0.350 186 M C -0.122 176.130 176.300 -0.080 0.000 1.138 186 M CA -0.099 55.095 55.300 -0.177 0.000 1.040 186 M CB 1.459 33.886 32.600 -0.288 0.000 1.639 186 M HN 0.717 nan 8.290 nan 0.000 0.451 187 K N 5.003 125.320 120.400 -0.140 0.000 2.414 187 K HA 0.497 4.817 4.320 -0.000 0.000 0.251 187 K C -1.131 175.386 176.600 -0.138 0.000 1.037 187 K CA -0.296 55.973 56.287 -0.031 0.000 0.980 187 K CB 0.465 33.041 32.500 0.126 0.000 1.280 187 K HN 0.706 nan 8.250 nan 0.000 0.451 188 I N 4.882 125.374 120.570 -0.129 0.000 2.322 188 I HA 0.115 4.285 4.170 -0.000 0.000 0.292 188 I C 0.165 176.150 176.117 -0.221 0.000 1.060 188 I CA -0.927 60.254 61.300 -0.198 0.000 1.309 188 I CB 1.220 39.088 38.000 -0.220 0.000 1.415 188 I HN 0.193 nan 8.210 nan 0.000 0.492 189 V N 6.478 126.235 119.914 -0.260 0.000 2.881 189 V HA 0.163 4.282 4.120 -0.000 0.000 0.303 189 V C 0.807 176.716 176.094 -0.309 0.000 1.070 189 V CA -0.628 61.434 62.300 -0.397 0.000 1.074 189 V CB 1.243 32.786 31.823 -0.467 0.000 1.012 189 V HN 0.791 nan 8.190 nan 0.000 0.482 190 R N 2.375 122.617 120.500 -0.430 0.000 2.538 190 R HA 0.218 4.558 4.340 -0.000 0.000 0.282 190 R C 0.433 176.656 176.300 -0.127 0.000 1.009 190 R CA 0.286 56.143 56.100 -0.405 0.000 1.063 190 R CB 0.163 29.979 30.300 -0.807 0.000 0.945 190 R HN 0.938 nan 8.270 nan 0.000 0.414 191 G N 2.908 111.777 108.800 0.115 0.000 2.398 191 G HA2 0.232 4.192 3.960 -0.000 0.000 0.246 191 G HA3 0.232 4.192 3.960 -0.000 0.000 0.246 191 G C -0.725 174.151 174.900 -0.040 0.000 1.289 191 G CA 0.077 45.174 45.100 -0.004 0.000 0.869 191 G HN 0.796 nan 8.290 nan 0.000 0.543 192 D N 1.100 121.509 120.400 0.015 0.000 3.053 192 D HA -0.077 4.563 4.640 -0.000 0.000 0.267 192 D C 0.810 177.178 176.300 0.112 0.000 0.998 192 D CA -0.661 53.395 54.000 0.094 0.000 0.770 192 D CB 0.839 41.778 40.800 0.233 0.000 2.505 192 D HN 0.363 nan 8.370 nan 0.000 0.477 193 K N 1.441 121.891 120.400 0.082 0.000 1.978 193 K HA -0.070 4.249 4.320 -0.000 0.000 0.214 193 K C 1.827 178.470 176.600 0.071 0.000 1.049 193 K CA 2.555 58.878 56.287 0.060 0.000 0.939 193 K CB -0.730 31.794 32.500 0.040 0.000 0.721 193 K HN 0.301 nan 8.250 nan 0.000 0.441 194 V N 0.240 120.195 119.914 0.068 0.000 2.252 194 V HA -0.288 3.831 4.120 -0.000 0.000 0.249 194 V C 2.242 178.341 176.094 0.008 0.000 1.056 194 V CA 2.207 64.510 62.300 0.007 0.000 1.022 194 V CB -0.867 30.933 31.823 -0.038 0.000 0.641 194 V HN 0.289 nan 8.190 nan 0.000 0.445 195 Y N 1.022 121.373 120.300 0.085 0.000 2.165 195 Y HA -0.248 4.302 4.550 -0.000 0.000 0.286 195 Y C 2.884 178.859 175.900 0.125 0.000 1.155 195 Y CA 2.180 60.368 58.100 0.146 0.000 1.164 195 Y CB -0.964 37.534 38.460 0.063 0.000 0.978 195 Y HN 0.192 nan 8.280 nan 0.000 0.513 196 T N -0.369 114.306 114.554 0.203 0.000 2.746 196 T HA -0.194 4.156 4.350 -0.000 0.000 0.267 196 T C 1.648 176.417 174.700 0.115 0.000 1.039 196 T CA 1.757 63.933 62.100 0.127 0.000 1.142 196 T CB -0.220 68.693 68.868 0.076 0.000 0.866 196 T HN 0.429 nan 8.240 nan 0.000 0.444 197 E N 0.991 121.240 120.200 0.081 0.000 2.047 197 E HA -0.033 4.317 4.350 -0.000 0.000 0.191 197 E C 2.575 179.197 176.600 0.035 0.000 0.987 197 E CA 0.971 57.397 56.400 0.042 0.000 0.799 197 E CB -0.241 29.460 29.700 0.002 0.000 0.752 197 E HN 0.450 nan 8.360 nan 0.000 0.449 198 A N 1.442 124.282 122.820 0.034 0.000 1.940 198 A HA -0.167 4.153 4.320 -0.000 0.000 0.219 198 A C 2.366 180.031 177.584 0.134 0.000 1.176 198 A CA 1.759 53.789 52.037 -0.012 0.000 0.631 198 A CB -0.648 18.321 19.000 -0.051 0.000 0.814 198 A HN 0.300 nan 8.150 nan 0.000 0.446 199 A N -0.608 122.405 122.820 0.323 0.000 1.930 199 A HA -0.103 4.216 4.320 -0.000 0.000 0.217 199 A C 1.898 179.589 177.584 0.177 0.000 1.175 199 A CA 1.560 53.816 52.037 0.365 0.000 0.627 199 A CB -0.350 18.818 19.000 0.280 0.000 0.815 199 A HN 0.425 nan 8.150 nan 0.000 0.443 200 E N 0.539 120.812 120.200 0.122 0.000 2.204 200 E HA -0.145 4.205 4.350 -0.000 0.000 0.194 200 E C 1.266 177.923 176.600 0.096 0.000 0.989 200 E CA 1.006 57.458 56.400 0.087 0.000 0.824 200 E CB -0.332 29.413 29.700 0.076 0.000 0.756 200 E HN 0.563 nan 8.360 nan 0.000 0.477 201 D N 0.760 121.219 120.400 0.099 0.000 2.084 201 D HA -0.166 4.473 4.640 -0.000 0.000 0.196 201 D C 1.921 178.322 176.300 0.169 0.000 0.985 201 D CA 1.056 55.151 54.000 0.159 0.000 0.826 201 D CB -0.156 40.695 40.800 0.086 0.000 0.978 201 D HN 0.352 nan 8.370 nan 0.000 0.456 202 E N 0.738 121.006 120.200 0.113 0.000 2.038 202 E HA -0.187 4.163 4.350 -0.000 0.000 0.195 202 E C 2.367 179.015 176.600 0.079 0.000 1.000 202 E CA 0.972 57.420 56.400 0.081 0.000 0.803 202 E CB -0.257 29.506 29.700 0.105 0.000 0.750 202 E HN 0.197 nan 8.360 nan 0.000 0.448 203 I N 0.995 121.604 120.570 0.065 0.000 2.113 203 I HA -0.402 3.768 4.170 -0.000 0.000 0.242 203 I C 2.657 178.786 176.117 0.021 0.000 1.057 203 I CA 1.901 63.189 61.300 -0.020 0.000 1.314 203 I CB -0.428 37.480 38.000 -0.155 0.000 1.022 203 I HN 0.185 nan 8.210 nan 0.000 0.408 204 K N 0.564 121.017 120.400 0.090 0.000 2.020 204 K HA -0.203 4.117 4.320 -0.000 0.000 0.212 204 K C 2.087 178.821 176.600 0.224 0.000 1.050 204 K CA 1.495 57.890 56.287 0.181 0.000 0.929 204 K CB -0.407 32.259 32.500 0.277 0.000 0.714 204 K HN 0.260 nan 8.250 nan 0.000 0.443 205 L N 1.061 122.376 121.223 0.155 0.000 1.978 205 L HA -0.270 4.070 4.340 -0.000 0.000 0.218 205 L C 2.466 179.327 176.870 -0.015 0.000 1.075 205 L CA 1.452 56.237 54.840 -0.093 0.000 0.767 205 L CB -0.671 41.232 42.059 -0.259 0.000 0.890 205 L HN 0.196 nan 8.230 nan 0.000 0.434 206 L N -0.860 120.381 121.223 0.030 0.000 2.081 206 L HA -0.294 4.046 4.340 -0.000 0.000 0.212 206 L C 2.716 179.649 176.870 0.106 0.000 1.080 206 L CA 1.405 56.293 54.840 0.079 0.000 0.754 206 L CB -0.561 41.579 42.059 0.134 0.000 0.893 206 L HN 0.414 nan 8.230 nan 0.000 0.433 207 Q N -0.777 119.086 119.800 0.105 0.000 2.172 207 Q HA -0.207 4.133 4.340 -0.000 0.000 0.200 207 Q C 2.237 178.325 176.000 0.146 0.000 0.964 207 Q CA 0.912 56.786 55.803 0.119 0.000 0.855 207 Q CB -0.083 28.716 28.738 0.102 0.000 0.918 207 Q HN 0.256 nan 8.270 nan 0.000 0.444 208 R N 0.775 121.379 120.500 0.174 0.000 2.092 208 R HA -0.098 4.242 4.340 -0.000 0.000 0.231 208 R C 1.881 178.272 176.300 0.151 0.000 1.119 208 R CA 1.150 57.369 56.100 0.199 0.000 0.970 208 R CB -0.684 29.803 30.300 0.312 0.000 0.864 208 R HN 0.068 nan 8.270 nan 0.000 0.440 209 V N 1.598 121.593 119.914 0.134 0.000 2.287 209 V HA -0.286 3.834 4.120 -0.000 0.000 0.248 209 V C 1.802 178.046 176.094 0.251 0.000 1.053 209 V CA 2.233 64.651 62.300 0.197 0.000 1.027 209 V CB -0.638 31.294 31.823 0.182 0.000 0.646 209 V HN 0.408 nan 8.190 nan 0.000 0.447 210 N N 0.244 119.053 118.700 0.183 0.000 2.142 210 N HA -0.134 4.605 4.740 -0.000 0.000 0.186 210 N C 1.535 177.140 175.510 0.157 0.000 1.023 210 N CA 1.569 54.715 53.050 0.160 0.000 0.852 210 N CB -0.481 38.086 38.487 0.135 0.000 0.998 210 N HN 0.503 nan 8.380 nan 0.000 0.424 211 D N 1.013 121.503 120.400 0.150 0.000 2.178 211 D HA -0.061 4.579 4.640 -0.000 0.000 0.201 211 D C 1.635 178.023 176.300 0.147 0.000 0.980 211 D CA 0.759 54.839 54.000 0.133 0.000 0.842 211 D CB -0.150 40.724 40.800 0.124 0.000 0.948 211 D HN 0.234 nan 8.370 nan 0.000 0.472 212 A N 0.684 123.614 122.820 0.183 0.000 2.066 212 A HA -0.113 4.207 4.320 -0.000 0.000 0.218 212 A C 1.079 178.853 177.584 0.317 0.000 1.157 212 A CA 0.355 52.515 52.037 0.205 0.000 0.670 212 A CB -0.147 18.906 19.000 0.088 0.000 0.804 212 A HN -0.043 nan 8.150 nan 0.000 0.453 213 D N 0.610 121.196 120.400 0.309 0.000 2.482 213 D HA 0.068 4.708 4.640 -0.000 0.000 0.244 213 D C 0.556 176.927 176.300 0.117 0.000 1.242 213 D CA 0.189 54.300 54.000 0.185 0.000 1.097 213 D CB -0.176 40.675 40.800 0.085 0.000 1.109 213 D HN 0.338 nan 8.370 nan 0.000 0.510 214 N N 0.384 119.159 118.700 0.126 0.000 2.672 214 N HA -0.013 4.727 4.740 -0.000 0.000 0.229 214 N C 0.580 176.129 175.510 0.064 0.000 1.043 214 N CA 0.317 53.419 53.050 0.086 0.000 0.932 214 N CB -0.179 38.361 38.487 0.088 0.000 1.500 214 N HN 0.420 nan 8.380 nan 0.000 0.445 215 T N -0.227 114.371 114.554 0.074 0.000 2.882 215 T HA 0.282 4.631 4.350 -0.000 0.000 0.287 215 T C 1.129 175.851 174.700 0.036 0.000 1.014 215 T CA -0.319 61.813 62.100 0.054 0.000 1.049 215 T CB 1.815 70.719 68.868 0.061 0.000 1.001 215 T HN -0.050 nan 8.240 nan 0.000 0.525 216 K N 0.430 120.844 120.400 0.025 0.000 2.113 216 K HA -0.194 4.126 4.320 -0.000 0.000 0.208 216 K C 2.276 178.881 176.600 0.009 0.000 1.047 216 K CA 1.968 58.262 56.287 0.012 0.000 0.928 216 K CB -0.145 32.361 32.500 0.011 0.000 0.716 216 K HN 0.894 nan 8.250 nan 0.000 0.446 217 E N 1.209 121.424 120.200 0.025 0.000 2.051 217 E HA -0.223 4.127 4.350 -0.000 0.000 0.192 217 E C 1.432 178.050 176.600 0.030 0.000 0.991 217 E CA 1.629 58.048 56.400 0.032 0.000 0.799 217 E CB 0.053 29.782 29.700 0.048 0.000 0.748 217 E HN 0.155 nan 8.360 nan 0.000 0.449 218 D N 0.378 120.815 120.400 0.061 0.000 2.154 218 D HA -0.196 4.444 4.640 -0.000 0.000 0.190 218 D C 2.167 178.332 176.300 -0.226 0.000 1.003 218 D CA 1.789 55.826 54.000 0.063 0.000 0.849 218 D CB -0.561 40.347 40.800 0.180 0.000 0.942 218 D HN 0.164 nan 8.370 nan 0.000 0.446 219 S N 0.521 116.137 115.700 -0.140 0.000 2.392 219 S HA -0.201 4.269 4.470 -0.000 0.000 0.232 219 S C 2.026 176.532 174.600 -0.156 0.000 1.041 219 S CA 0.967 59.068 58.200 -0.165 0.000 1.026 219 S CB -0.219 62.935 63.200 -0.076 0.000 0.845 219 S HN 0.303 nan 8.310 nan 0.000 0.465 220 M N 0.656 120.209 119.600 -0.079 0.000 2.143 220 M HA -0.135 4.344 4.480 -0.000 0.000 0.258 220 M C 2.301 178.622 176.300 0.035 0.000 1.071 220 M CA 1.819 57.117 55.300 -0.004 0.000 1.088 220 M CB -1.353 31.255 32.600 0.013 0.000 1.360 220 M HN 0.537 nan 8.290 nan 0.000 0.404 221 G N -1.435 107.308 108.800 -0.095 0.000 2.673 221 G HA2 0.238 4.198 3.960 -0.000 0.000 0.208 221 G HA3 0.238 4.198 3.960 -0.000 0.000 0.208 221 G C 1.602 176.367 174.900 -0.225 0.000 1.128 221 G CA 0.577 45.645 45.100 -0.053 0.000 0.805 221 G HN 0.498 nan 8.290 nan 0.000 0.526 222 A N 1.735 124.147 122.820 -0.680 0.000 1.940 222 A HA -0.098 4.221 4.320 -0.000 0.000 0.219 222 A C 2.094 179.535 177.584 -0.238 0.000 1.176 222 A CA 1.630 53.310 52.037 -0.595 0.000 0.631 222 A CB -0.452 18.155 19.000 -0.654 0.000 0.814 222 A HN 0.310 nan 8.150 nan 0.000 0.446 223 N N -0.447 118.114 118.700 -0.232 0.000 2.519 223 N HA -0.111 4.628 4.740 -0.000 0.000 0.186 223 N C 0.094 175.340 175.510 -0.440 0.000 1.062 223 N CA 0.987 53.861 53.050 -0.295 0.000 0.910 223 N CB -0.315 37.970 38.487 -0.337 0.000 0.958 223 N HN 0.720 nan 8.380 nan 0.000 0.445 224 H N -0.688 118.339 119.070 -0.072 0.000 2.472 224 H HA 0.414 4.970 4.556 -0.000 0.000 0.287 224 H C -0.320 174.990 175.328 -0.029 0.000 1.112 224 H CA -0.071 55.951 56.048 -0.043 0.000 1.021 224 H CB 0.368 30.108 29.762 -0.036 0.000 1.635 224 H HN 0.007 nan 8.280 nan 0.000 0.559 225 I N 1.367 121.943 120.570 0.011 0.000 2.478 225 I HA 0.071 4.241 4.170 -0.000 0.000 0.287 225 I C -0.730 175.377 176.117 -0.017 0.000 1.042 225 I CA -1.251 60.065 61.300 0.026 0.000 1.067 225 I CB 2.364 40.417 38.000 0.088 0.000 1.233 225 I HN 0.034 nan 8.210 nan 0.000 0.431 226 L N 7.978 129.164 121.223 -0.062 0.000 2.742 226 L HA 0.056 4.395 4.340 -0.000 0.000 0.275 226 L C 0.358 177.178 176.870 -0.082 0.000 1.141 226 L CA 0.755 55.521 54.840 -0.124 0.000 0.987 226 L CB -0.546 41.341 42.059 -0.288 0.000 1.319 226 L HN 0.442 nan 8.230 nan 0.000 0.478 227 K N 3.897 124.321 120.400 0.039 0.000 2.258 227 K HA 0.209 4.529 4.320 -0.000 0.000 0.264 227 K C -0.533 176.264 176.600 0.329 0.000 1.007 227 K CA -0.828 55.543 56.287 0.141 0.000 0.941 227 K CB 0.976 33.544 32.500 0.113 0.000 0.966 227 K HN 0.423 nan 8.250 nan 0.000 0.480 228 L N 3.979 125.406 121.223 0.340 0.000 2.281 228 L HA 0.102 4.441 4.340 -0.000 0.000 0.285 228 L C 0.417 177.409 176.870 0.203 0.000 1.074 228 L CA 0.497 55.550 54.840 0.355 0.000 0.817 228 L CB 0.419 42.632 42.059 0.256 0.000 1.168 228 L HN 0.665 nan 8.230 nan 0.000 0.434 229 L N 2.845 124.155 121.223 0.145 0.000 2.253 229 L HA 0.334 4.673 4.340 -0.000 0.000 0.205 229 L C 0.144 177.089 176.870 0.124 0.000 1.078 229 L CA 0.287 55.201 54.840 0.124 0.000 0.805 229 L CB 0.022 42.148 42.059 0.112 0.000 0.963 229 L HN 0.635 nan 8.230 nan 0.000 0.459 230 D N -1.518 118.934 120.400 0.086 0.000 2.653 230 D HA 0.275 4.915 4.640 -0.000 0.000 0.258 230 D C -1.601 174.785 176.300 0.144 0.000 1.252 230 D CA -0.317 53.776 54.000 0.155 0.000 0.777 230 D CB 1.702 42.622 40.800 0.200 0.000 1.339 230 D HN 0.085 nan 8.370 nan 0.000 0.422 231 H N -0.370 118.761 119.070 0.102 0.000 3.085 231 H HA 0.607 5.163 4.556 -0.000 0.000 0.356 231 H C -1.567 173.861 175.328 0.167 0.000 1.178 231 H CA -0.762 55.281 56.048 -0.010 0.000 1.214 231 H CB 0.625 30.361 29.762 -0.044 0.000 1.881 231 H HN 0.371 nan 8.280 nan 0.000 0.538 232 F N 0.152 120.079 119.950 -0.038 0.000 2.773 232 F HA 0.487 5.014 4.527 -0.000 0.000 0.314 232 F C -1.702 174.136 175.800 0.064 0.000 1.160 232 F CA -1.198 56.777 58.000 -0.043 0.000 0.920 232 F CB 0.995 39.989 39.000 -0.011 0.000 1.323 232 F HN 0.359 nan 8.300 nan 0.000 0.457 233 N N 0.854 119.694 118.700 0.232 0.000 2.479 233 N HA 0.180 4.920 4.740 -0.000 0.000 0.285 233 N C -1.551 174.151 175.510 0.320 0.000 1.075 233 N CA -0.341 52.803 53.050 0.158 0.000 0.967 233 N CB 0.963 39.512 38.487 0.103 0.000 1.137 233 N HN 0.772 nan 8.380 nan 0.000 0.472 234 H N 1.520 120.669 119.070 0.131 0.000 2.505 234 H HA 0.222 4.778 4.556 -0.000 0.000 0.338 234 H C -0.714 174.625 175.328 0.017 0.000 1.057 234 H CA -0.477 55.653 56.048 0.135 0.000 1.202 234 H CB 0.994 30.856 29.762 0.168 0.000 1.466 234 H HN 0.327 nan 8.280 nan 0.000 0.499 235 K N 3.340 123.449 120.400 -0.485 0.000 2.379 235 K HA 0.307 4.627 4.320 -0.000 0.000 0.284 235 K C 0.211 176.474 176.600 -0.562 0.000 1.044 235 K CA -0.038 56.000 56.287 -0.414 0.000 0.974 235 K CB 0.958 33.276 32.500 -0.303 0.000 0.962 235 K HN 0.670 nan 8.250 nan 0.000 0.474 236 G N 2.494 111.153 108.800 -0.235 0.000 2.605 236 G HA2 0.307 4.267 3.960 -0.000 0.000 0.296 236 G HA3 0.307 4.267 3.960 -0.000 0.000 0.296 236 G C -1.916 172.978 174.900 -0.010 0.000 1.304 236 G CA -1.279 43.805 45.100 -0.028 0.000 0.941 236 G HN 0.306 nan 8.290 nan 0.000 0.475 237 P HA -0.149 nan 4.420 nan 0.000 0.218 237 P C 0.919 178.289 177.300 0.116 0.000 1.148 237 P CA 1.272 64.436 63.100 0.107 0.000 0.822 237 P CB 0.105 31.915 31.700 0.182 0.000 0.784 238 N N -1.141 117.637 118.700 0.130 0.000 2.336 238 N HA 0.247 4.986 4.740 -0.000 0.000 0.189 238 N C 0.857 176.328 175.510 -0.066 0.000 1.113 238 N CA 0.230 53.343 53.050 0.105 0.000 0.858 238 N CB 0.486 38.995 38.487 0.036 0.000 0.970 238 N HN 0.143 nan 8.380 nan 0.000 0.471 239 G N 0.190 108.886 108.800 -0.173 0.000 2.359 239 G HA2 0.010 3.969 3.960 -0.000 0.000 0.303 239 G HA3 0.010 3.969 3.960 -0.000 0.000 0.303 239 G C -1.566 173.041 174.900 -0.488 0.000 1.293 239 G CA -0.837 44.098 45.100 -0.275 0.000 0.964 239 G HN -0.015 nan 8.290 nan 0.000 0.531 240 V N 2.210 121.903 119.914 -0.367 0.000 2.488 240 V HA 0.441 4.561 4.120 -0.000 0.000 0.277 240 V C -0.120 175.753 176.094 -0.368 0.000 1.046 240 V CA -0.310 61.811 62.300 -0.297 0.000 0.986 240 V CB 0.950 32.695 31.823 -0.130 0.000 0.989 240 V HN 0.651 nan 8.190 nan 0.000 0.475 241 H N 3.161 122.236 119.070 0.007 0.000 2.489 241 H HA 0.429 4.985 4.556 -0.000 0.000 0.343 241 H C -0.491 174.812 175.328 -0.041 0.000 1.086 241 H CA -0.647 55.387 56.048 -0.024 0.000 1.198 241 H CB 2.025 31.785 29.762 -0.004 0.000 1.490 241 H HN 0.378 nan 8.280 nan 0.000 0.504 242 V N 4.210 124.146 119.914 0.036 0.000 2.530 242 V HA 0.093 4.212 4.120 -0.000 0.000 0.282 242 V C 0.309 176.309 176.094 -0.156 0.000 1.048 242 V CA -0.339 61.938 62.300 -0.038 0.000 0.997 242 V CB 1.159 32.983 31.823 0.003 0.000 0.987 242 V HN 0.430 nan 8.190 nan 0.000 0.477 243 V N 6.697 126.401 119.914 -0.350 0.000 2.540 243 V HA 0.520 4.640 4.120 -0.000 0.000 0.302 243 V C -0.108 175.666 176.094 -0.533 0.000 1.035 243 V CA -0.560 61.408 62.300 -0.554 0.000 0.873 243 V CB 1.774 32.982 31.823 -1.024 0.000 0.992 243 V HN 0.816 nan 8.190 nan 0.000 0.428 244 M N 4.306 123.653 119.600 -0.422 0.000 2.364 244 M HA 0.613 5.093 4.480 -0.000 0.000 0.334 244 M C -1.058 174.801 176.300 -0.735 0.000 1.107 244 M CA -0.731 54.269 55.300 -0.500 0.000 0.988 244 M CB 2.223 34.546 32.600 -0.461 0.000 1.673 244 M HN 0.405 nan 8.290 nan 0.000 0.441 245 V N 3.897 123.392 119.914 -0.698 0.000 2.384 245 V HA 0.563 4.682 4.120 -0.000 0.000 0.287 245 V C -0.694 175.057 176.094 -0.572 0.000 1.020 245 V CA -0.442 61.516 62.300 -0.571 0.000 0.850 245 V CB 0.659 32.279 31.823 -0.338 0.000 0.987 245 V HN 0.689 nan 8.190 nan 0.000 0.436 246 F N 1.537 121.474 119.950 -0.021 0.000 2.712 246 F HA 0.624 5.150 4.527 -0.000 0.000 0.367 246 F C 0.554 176.364 175.800 0.016 0.000 1.132 246 F CA -1.221 56.786 58.000 0.011 0.000 1.066 246 F CB 1.357 40.365 39.000 0.013 0.000 1.416 246 F HN 0.546 nan 8.300 nan 0.000 0.515 247 E N 0.073 120.425 120.200 0.252 0.000 2.248 247 E HA 0.554 4.904 4.350 -0.000 0.000 0.272 247 E C -1.189 175.488 176.600 0.129 0.000 1.008 247 E CA -0.883 55.606 56.400 0.149 0.000 0.856 247 E CB 1.625 31.390 29.700 0.108 0.000 1.120 247 E HN 0.259 nan 8.360 nan 0.000 0.397 248 V N 2.370 122.346 119.914 0.104 0.000 2.963 248 V HA -0.006 4.114 4.120 -0.000 0.000 0.306 248 V C 0.412 176.533 176.094 0.046 0.000 1.077 248 V CA -0.155 62.193 62.300 0.079 0.000 1.124 248 V CB 0.919 32.787 31.823 0.076 0.000 0.987 248 V HN 0.734 nan 8.190 nan 0.000 0.487 249 L N 1.544 122.782 121.223 0.026 0.000 3.467 249 L HA 0.584 4.924 4.340 -0.000 0.000 0.315 249 L C 0.673 177.539 176.870 -0.006 0.000 1.184 249 L CA 1.574 56.418 54.840 0.006 0.000 1.124 249 L CB 0.140 42.196 42.059 -0.004 0.000 1.585 249 L HN 1.140 nan 8.230 nan 0.000 0.617 250 G N -0.289 108.507 108.800 -0.006 0.000 2.445 250 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.212 250 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.212 250 G C -0.657 174.231 174.900 -0.020 0.000 1.217 250 G CA -0.328 44.762 45.100 -0.016 0.000 1.002 250 G HN 0.050 nan 8.290 nan 0.000 0.574 251 E N 1.115 121.299 120.200 -0.025 0.000 2.342 251 E HA 0.439 4.789 4.350 -0.000 0.000 0.257 251 E C 0.335 176.919 176.600 -0.025 0.000 1.150 251 E CA -0.153 56.231 56.400 -0.026 0.000 0.926 251 E CB 0.828 30.511 29.700 -0.030 0.000 1.074 251 E HN 0.698 nan 8.360 nan 0.000 0.449 252 N N -0.517 118.169 118.700 -0.023 0.000 2.459 252 N HA 0.105 4.845 4.740 -0.000 0.000 0.288 252 N C 0.485 175.981 175.510 -0.024 0.000 1.186 252 N CA -0.618 52.418 53.050 -0.023 0.000 0.917 252 N CB 0.587 39.063 38.487 -0.018 0.000 1.219 252 N HN 0.169 nan 8.380 nan 0.000 0.525 253 L N 0.098 121.306 121.223 -0.025 0.000 2.270 253 L HA -0.090 4.249 4.340 -0.000 0.000 0.217 253 L C 1.999 178.855 176.870 -0.023 0.000 1.107 253 L CA 1.124 55.948 54.840 -0.026 0.000 0.772 253 L CB -0.997 41.049 42.059 -0.022 0.000 0.902 253 L HN 0.708 nan 8.230 nan 0.000 0.439 254 L N -1.126 120.091 121.223 -0.011 0.000 2.046 254 L HA -0.262 4.078 4.340 -0.000 0.000 0.208 254 L C 2.557 179.415 176.870 -0.019 0.000 1.077 254 L CA 1.456 56.294 54.840 -0.003 0.000 0.747 254 L CB -0.286 41.787 42.059 0.024 0.000 0.896 254 L HN 0.323 nan 8.230 nan 0.000 0.432 255 A N -0.127 122.684 122.820 -0.015 0.000 1.845 255 A HA -0.284 4.035 4.320 -0.000 0.000 0.215 255 A C 2.139 179.714 177.584 -0.015 0.000 1.195 255 A CA 1.907 53.935 52.037 -0.016 0.000 0.616 255 A CB -1.057 17.931 19.000 -0.020 0.000 0.832 255 A HN 0.435 nan 8.150 nan 0.000 0.443 256 L N 0.138 121.352 121.223 -0.015 0.000 2.051 256 L HA -0.223 4.117 4.340 -0.000 0.000 0.214 256 L C 2.270 179.170 176.870 0.049 0.000 1.076 256 L CA 1.947 56.797 54.840 0.017 0.000 0.758 256 L CB -0.439 41.600 42.059 -0.034 0.000 0.890 256 L HN 0.495 nan 8.230 nan 0.000 0.433 257 I N -0.679 119.865 120.570 -0.044 0.000 2.099 257 I HA -0.370 3.800 4.170 -0.000 0.000 0.239 257 I C 2.492 178.509 176.117 -0.168 0.000 1.066 257 I CA 1.809 63.024 61.300 -0.142 0.000 1.324 257 I CB -0.476 37.379 38.000 -0.242 0.000 1.037 257 I HN 0.254 nan 8.210 nan 0.000 0.401 258 K N 0.727 121.040 120.400 -0.144 0.000 2.103 258 K HA -0.250 4.070 4.320 -0.000 0.000 0.207 258 K C 2.123 178.726 176.600 0.005 0.000 1.048 258 K CA 1.352 57.615 56.287 -0.040 0.000 0.930 258 K CB -0.253 32.268 32.500 0.035 0.000 0.716 258 K HN 0.217 nan 8.250 nan 0.000 0.444 259 K N 0.248 120.647 120.400 -0.003 0.000 2.281 259 K HA -0.166 4.153 4.320 -0.000 0.000 0.203 259 K C 0.415 176.902 176.600 -0.187 0.000 1.046 259 K CA 1.290 57.532 56.287 -0.076 0.000 0.938 259 K CB 0.065 32.523 32.500 -0.070 0.000 0.737 259 K HN 0.154 nan 8.250 nan 0.000 0.458 260 Y N 1.519 121.787 120.300 -0.054 0.000 2.751 260 Y HA 0.153 4.703 4.550 -0.000 0.000 0.289 260 Y C -0.577 175.316 175.900 -0.010 0.000 1.110 260 Y CA -0.427 57.653 58.100 -0.032 0.000 1.251 260 Y CB 0.114 38.551 38.460 -0.038 0.000 1.178 260 Y HN 0.128 nan 8.280 nan 0.000 0.540 261 E N -0.867 119.387 120.200 0.090 0.000 2.202 261 E HA -0.360 3.990 4.350 -0.000 0.000 0.214 261 E C -0.446 176.283 176.600 0.215 0.000 1.303 261 E CA 0.936 57.419 56.400 0.138 0.000 0.714 261 E CB -1.878 27.868 29.700 0.076 0.000 1.130 261 E HN 0.731 nan 8.360 nan 0.000 0.356 262 H N -2.349 116.743 119.070 0.036 0.000 2.932 262 H HA -0.230 4.326 4.556 -0.000 0.000 0.290 262 H C 1.047 176.386 175.328 0.018 0.000 1.108 262 H CA 1.649 57.701 56.048 0.006 0.000 1.172 262 H CB -0.929 28.817 29.762 -0.028 0.000 1.325 262 H HN 0.391 nan 8.280 nan 0.000 0.354 263 R N 0.497 121.070 120.500 0.123 0.000 2.334 263 R HA 0.296 4.636 4.340 -0.000 0.000 0.220 263 R C 0.853 177.181 176.300 0.046 0.000 0.917 263 R CA 0.528 56.685 56.100 0.095 0.000 1.073 263 R CB 0.692 31.051 30.300 0.099 0.000 1.056 263 R HN 0.437 nan 8.270 nan 0.000 0.506 264 G N 1.456 110.255 108.800 -0.002 0.000 2.788 264 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.686 264 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.686 264 G C -0.560 174.262 174.900 -0.130 0.000 1.147 264 G CA -1.019 44.034 45.100 -0.079 0.000 0.755 264 G HN 0.098 nan 8.290 nan 0.000 0.634 265 I N 2.818 123.256 120.570 -0.220 0.000 2.440 265 I HA 0.337 4.507 4.170 -0.000 0.000 0.294 265 I C -1.668 174.294 176.117 -0.259 0.000 0.995 265 I CA -2.223 58.811 61.300 -0.444 0.000 1.306 265 I CB 1.760 39.548 38.000 -0.354 0.000 1.407 265 I HN 0.264 nan 8.210 nan 0.000 0.501 266 P HA 0.017 nan 4.420 nan 0.000 0.265 266 P C 0.759 177.988 177.300 -0.119 0.000 1.187 266 P CA 0.053 63.074 63.100 -0.131 0.000 0.766 266 P CB 0.452 32.089 31.700 -0.105 0.000 0.820 267 L N 3.266 124.434 121.223 -0.093 0.000 2.187 267 L HA -0.157 4.183 4.340 -0.000 0.000 0.213 267 L C 2.021 178.741 176.870 -0.250 0.000 1.100 267 L CA 1.326 56.104 54.840 -0.103 0.000 0.765 267 L CB -0.865 41.174 42.059 -0.032 0.000 0.904 267 L HN 0.511 nan 8.230 nan 0.000 0.437 268 I N -4.247 116.111 120.570 -0.353 0.000 2.916 268 I HA -0.243 3.926 4.170 -0.000 0.000 0.267 268 I C 1.865 177.708 176.117 -0.456 0.000 1.263 268 I CA 1.410 62.438 61.300 -0.453 0.000 1.471 268 I CB -0.455 37.219 38.000 -0.544 0.000 1.089 268 I HN 0.130 nan 8.210 nan 0.000 0.468 269 Y N 0.212 120.429 120.300 -0.138 0.000 2.559 269 Y HA 0.158 4.708 4.550 -0.001 0.000 0.279 269 Y C 2.539 178.371 175.900 -0.115 0.000 1.117 269 Y CA 0.183 58.212 58.100 -0.119 0.000 1.263 269 Y CB 0.022 38.406 38.460 -0.126 0.000 1.230 269 Y HN -0.107 nan 8.280 nan 0.000 0.528 270 V N 0.789 120.720 119.914 0.028 0.000 2.261 270 V HA -0.325 3.794 4.120 -0.000 0.000 0.246 270 V C 2.007 178.078 176.094 -0.040 0.000 1.047 270 V CA 2.068 64.381 62.300 0.023 0.000 1.015 270 V CB -0.577 31.289 31.823 0.072 0.000 0.642 270 V HN 0.282 nan 8.190 nan 0.000 0.446 271 K N -0.428 119.838 120.400 -0.224 0.000 2.103 271 K HA -0.230 4.089 4.320 -0.000 0.000 0.207 271 K C 2.344 178.820 176.600 -0.206 0.000 1.048 271 K CA 1.649 57.705 56.287 -0.384 0.000 0.930 271 K CB -0.213 31.908 32.500 -0.631 0.000 0.716 271 K HN 0.532 nan 8.250 nan 0.000 0.444 272 Q N 0.166 119.886 119.800 -0.134 0.000 2.079 272 Q HA -0.104 4.236 4.340 -0.000 0.000 0.200 272 Q C 2.103 178.074 176.000 -0.048 0.000 0.974 272 Q CA 1.302 57.059 55.803 -0.076 0.000 0.840 272 Q CB -0.037 28.692 28.738 -0.015 0.000 0.898 272 Q HN 0.312 nan 8.270 nan 0.000 0.430 273 I N 0.178 120.741 120.570 -0.011 0.000 2.142 273 I HA -0.288 3.881 4.170 -0.000 0.000 0.240 273 I C 2.304 178.417 176.117 -0.005 0.000 1.078 273 I CA 1.016 62.315 61.300 -0.002 0.000 1.343 273 I CB -0.242 37.769 38.000 0.019 0.000 1.046 273 I HN 0.080 nan 8.210 nan 0.000 0.405 274 S N 0.428 116.151 115.700 0.039 0.000 2.359 274 S HA -0.266 4.204 4.470 -0.000 0.000 0.224 274 S C 2.012 176.659 174.600 0.079 0.000 1.035 274 S CA 1.590 59.859 58.200 0.115 0.000 1.018 274 S CB -0.323 63.042 63.200 0.275 0.000 0.876 274 S HN 0.341 nan 8.310 nan 0.000 0.448 275 K N 0.897 121.299 120.400 0.004 0.000 2.057 275 K HA -0.090 4.230 4.320 -0.000 0.000 0.206 275 K C 2.391 178.917 176.600 -0.123 0.000 1.050 275 K CA 1.175 57.441 56.287 -0.035 0.000 0.935 275 K CB -0.094 32.352 32.500 -0.089 0.000 0.715 275 K HN 0.360 nan 8.250 nan 0.000 0.439 276 Q N 0.449 120.117 119.800 -0.220 0.000 2.079 276 Q HA -0.116 4.224 4.340 -0.000 0.000 0.200 276 Q C 2.187 177.989 176.000 -0.329 0.000 0.974 276 Q CA 1.147 56.637 55.803 -0.522 0.000 0.840 276 Q CB -0.056 28.311 28.738 -0.619 0.000 0.898 276 Q HN 0.343 nan 8.270 nan 0.000 0.430 277 L N 0.611 121.749 121.223 -0.141 0.000 2.042 277 L HA -0.246 4.093 4.340 -0.000 0.000 0.210 277 L C 2.140 178.982 176.870 -0.047 0.000 1.076 277 L CA 1.279 56.081 54.840 -0.065 0.000 0.749 277 L CB -0.185 41.858 42.059 -0.026 0.000 0.893 277 L HN 0.323 nan 8.230 nan 0.000 0.432 278 L N -0.857 120.353 121.223 -0.022 0.000 2.056 278 L HA -0.262 4.078 4.340 -0.000 0.000 0.207 278 L C 2.499 179.365 176.870 -0.008 0.000 1.078 278 L CA 1.018 55.862 54.840 0.007 0.000 0.749 278 L CB -0.419 41.679 42.059 0.066 0.000 0.901 278 L HN 0.274 nan 8.230 nan 0.000 0.433 279 L N -0.399 120.801 121.223 -0.038 0.000 2.079 279 L HA -0.160 4.180 4.340 -0.000 0.000 0.210 279 L C 2.590 179.481 176.870 0.036 0.000 1.081 279 L CA 1.362 56.194 54.840 -0.013 0.000 0.752 279 L CB -0.907 41.114 42.059 -0.063 0.000 0.896 279 L HN 0.328 nan 8.230 nan 0.000 0.433 280 G N -0.309 108.503 108.800 0.021 0.000 2.404 280 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.215 280 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.215 280 G C 1.592 176.531 174.900 0.064 0.000 1.174 280 G CA 0.420 45.572 45.100 0.087 0.000 0.780 280 G HN 0.205 nan 8.290 nan 0.000 0.537 281 L N 0.595 121.789 121.223 -0.048 0.000 1.989 281 L HA -0.118 4.222 4.340 -0.000 0.000 0.211 281 L C 2.608 179.296 176.870 -0.303 0.000 1.071 281 L CA 1.769 56.465 54.840 -0.240 0.000 0.749 281 L CB -0.519 41.391 42.059 -0.249 0.000 0.890 281 L HN 0.282 nan 8.230 nan 0.000 0.431 282 D N -0.891 119.454 120.400 -0.091 0.000 2.158 282 D HA -0.313 4.327 4.640 -0.000 0.000 0.197 282 D C 2.047 178.403 176.300 0.093 0.000 0.995 282 D CA 1.441 55.455 54.000 0.023 0.000 0.846 282 D CB -0.102 40.737 40.800 0.064 0.000 0.941 282 D HN 0.365 nan 8.370 nan 0.000 0.456 283 Y N 0.352 120.647 120.300 -0.010 0.000 2.184 283 Y HA -0.033 4.516 4.550 -0.000 0.000 0.290 283 Y C 2.193 178.121 175.900 0.047 0.000 1.129 283 Y CA 1.511 59.628 58.100 0.028 0.000 1.144 283 Y CB -0.326 38.154 38.460 0.033 0.000 0.995 283 Y HN -0.017 nan 8.280 nan 0.000 0.513 284 M N -0.788 118.800 119.600 -0.021 0.000 2.080 284 M HA -0.252 4.228 4.480 -0.000 0.000 0.260 284 M C 2.061 178.406 176.300 0.076 0.000 1.068 284 M CA 1.736 57.004 55.300 -0.053 0.000 1.109 284 M CB -0.609 32.009 32.600 0.029 0.000 1.342 284 M HN 0.315 nan 8.290 nan 0.000 0.405 285 H N 0.059 119.156 119.070 0.046 0.000 2.256 285 H HA -0.031 4.525 4.556 -0.000 0.000 0.299 285 H C 2.234 177.577 175.328 0.025 0.000 1.071 285 H CA 1.620 57.723 56.048 0.092 0.000 1.280 285 H CB -0.570 29.324 29.762 0.219 0.000 1.370 285 H HN 0.279 nan 8.280 nan 0.000 0.490 286 R N -0.161 120.434 120.500 0.158 0.000 2.057 286 R HA -0.031 4.309 4.340 -0.000 0.000 0.229 286 R C 2.579 178.863 176.300 -0.026 0.000 1.136 286 R CA 1.179 57.305 56.100 0.045 0.000 0.952 286 R CB 0.003 30.333 30.300 0.050 0.000 0.848 286 R HN 0.053 nan 8.270 nan 0.000 0.430 287 R N -0.181 120.272 120.500 -0.079 0.000 2.066 287 R HA 0.036 4.376 4.340 -0.000 0.000 0.224 287 R C 2.056 178.256 176.300 -0.167 0.000 1.122 287 R CA 1.300 57.321 56.100 -0.132 0.000 0.974 287 R CB -0.305 29.889 30.300 -0.177 0.000 0.871 287 R HN 0.209 nan 8.270 nan 0.000 0.435 288 C N -0.983 118.153 119.300 -0.273 0.000 2.485 288 C HA 0.342 4.802 4.460 -0.000 0.000 0.277 288 C C 1.319 176.372 174.990 0.105 0.000 1.376 288 C CA 0.446 59.387 59.018 -0.128 0.000 1.759 288 C CB -0.648 26.945 27.740 -0.246 0.000 1.970 288 C HN 0.752 nan 8.230 nan 0.000 0.509 289 G N 1.210 110.067 108.800 0.095 0.000 2.246 289 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.273 289 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.273 289 G C -0.282 174.852 174.900 0.390 0.000 1.055 289 G CA 0.105 45.353 45.100 0.247 0.000 0.851 289 G HN 0.584 nan 8.290 nan 0.000 0.500 290 I N -0.047 120.613 120.570 0.151 0.000 2.545 290 I HA 0.524 4.694 4.170 -0.000 0.000 0.292 290 I C 0.504 176.667 176.117 0.076 0.000 1.040 290 I CA -1.232 60.050 61.300 -0.030 0.000 1.068 290 I CB 1.853 39.714 38.000 -0.231 0.000 1.251 290 I HN -0.022 nan 8.210 nan 0.000 0.424 291 I N 4.262 124.829 120.570 -0.006 0.000 2.498 291 I HA 0.219 4.389 4.170 -0.000 0.000 0.301 291 I C 1.020 177.157 176.117 0.033 0.000 0.984 291 I CA -0.574 60.769 61.300 0.071 0.000 1.204 291 I CB 1.619 39.627 38.000 0.015 0.000 1.362 291 I HN 0.685 nan 8.210 nan 0.000 0.471 292 H N 3.641 122.716 119.070 0.009 0.000 2.451 292 H HA -0.084 4.472 4.556 -0.000 0.000 0.294 292 H C 1.558 176.840 175.328 -0.077 0.000 1.028 292 H CA 2.020 58.041 56.048 -0.044 0.000 1.349 292 H CB 0.681 30.429 29.762 -0.023 0.000 1.444 292 H HN 0.960 nan 8.280 nan 0.000 0.538 293 T N -1.455 113.153 114.554 0.090 0.000 8.985 293 T HA -0.288 4.062 4.350 -0.000 0.000 0.339 293 T C 0.301 175.012 174.700 0.018 0.000 1.929 293 T CA 1.981 64.046 62.100 -0.059 0.000 2.929 293 T CB -1.964 66.808 68.868 -0.160 0.000 2.454 293 T HN 0.463 nan 8.240 nan 0.000 1.140 294 D N 0.338 120.901 120.400 0.272 0.000 2.997 294 D HA 0.403 5.043 4.640 -0.000 0.000 0.362 294 D C -0.284 176.062 176.300 0.076 0.000 1.298 294 D CA -0.652 53.449 54.000 0.168 0.000 0.756 294 D CB -0.096 40.761 40.800 0.095 0.000 1.216 294 D HN 0.545 nan 8.370 nan 0.000 0.496 295 I N 2.536 123.036 120.570 -0.117 0.000 2.471 295 I HA 0.238 4.408 4.170 -0.000 0.000 0.286 295 I C 0.516 176.403 176.117 -0.384 0.000 1.079 295 I CA 0.324 61.420 61.300 -0.340 0.000 1.398 295 I CB 0.191 38.038 38.000 -0.255 0.000 1.403 295 I HN 0.303 nan 8.210 nan 0.000 0.530 296 K N 6.750 126.886 120.400 -0.440 0.000 2.685 296 K HA 0.400 4.720 4.320 -0.000 0.000 0.290 296 K C -2.792 173.624 176.600 -0.307 0.000 1.018 296 K CA -1.130 54.745 56.287 -0.687 0.000 0.860 296 K CB 1.348 33.237 32.500 -1.018 0.000 1.498 296 K HN -0.020 nan 8.250 nan 0.000 0.390 297 P HA -0.270 nan 4.420 nan 0.000 0.217 297 P C 0.554 177.822 177.300 -0.053 0.000 1.158 297 P CA 1.744 64.813 63.100 -0.052 0.000 0.887 297 P CB 0.100 31.822 31.700 0.038 0.000 0.792 298 E N -0.500 119.672 120.200 -0.048 0.000 2.219 298 E HA -0.129 4.220 4.350 -0.000 0.000 0.198 298 E C 1.173 177.754 176.600 -0.032 0.000 0.998 298 E CA 0.925 57.310 56.400 -0.024 0.000 0.818 298 E CB -0.843 28.855 29.700 -0.004 0.000 0.741 298 E HN 0.353 nan 8.360 nan 0.000 0.477 299 N N 0.002 118.667 118.700 -0.058 0.000 2.273 299 N HA 0.080 4.820 4.740 -0.000 0.000 0.231 299 N C -1.083 174.391 175.510 -0.059 0.000 1.134 299 N CA 0.080 53.109 53.050 -0.034 0.000 0.856 299 N CB 1.262 39.760 38.487 0.019 0.000 1.068 299 N HN -0.092 nan 8.380 nan 0.000 0.510 300 V N 1.869 121.746 119.914 -0.062 0.000 2.376 300 V HA 0.390 4.510 4.120 -0.000 0.000 0.287 300 V C 0.117 176.189 176.094 -0.036 0.000 1.015 300 V CA -0.712 61.555 62.300 -0.055 0.000 0.834 300 V CB 2.006 33.793 31.823 -0.059 0.000 1.001 300 V HN 0.029 nan 8.190 nan 0.000 0.428 301 L N 5.281 126.486 121.223 -0.031 0.000 2.357 301 L HA 0.687 5.027 4.340 -0.000 0.000 0.273 301 L C -0.084 176.776 176.870 -0.017 0.000 1.080 301 L CA -0.171 54.653 54.840 -0.027 0.000 0.803 301 L CB 1.548 43.587 42.059 -0.033 0.000 1.174 301 L HN 0.627 nan 8.230 nan 0.000 0.443 302 M N 3.270 122.858 119.600 -0.019 0.000 2.484 302 M HA 0.480 4.960 4.480 -0.000 0.000 0.289 302 M C -1.906 174.380 176.300 -0.023 0.000 1.206 302 M CA -0.337 54.953 55.300 -0.018 0.000 0.892 302 M CB 2.823 35.407 32.600 -0.028 0.000 1.712 302 M HN 0.774 nan 8.290 nan 0.000 0.462 303 E N 3.766 123.954 120.200 -0.018 0.000 2.390 303 E HA 0.513 4.863 4.350 -0.000 0.000 0.277 303 E C -1.453 175.136 176.600 -0.018 0.000 0.939 303 E CA -0.955 55.433 56.400 -0.021 0.000 0.769 303 E CB 2.216 31.907 29.700 -0.015 0.000 1.251 303 E HN 0.728 nan 8.360 nan 0.000 0.450 304 I N 2.898 123.455 120.570 -0.021 0.000 2.396 304 I HA 0.023 4.193 4.170 -0.000 0.000 0.289 304 I C 0.807 176.924 176.117 -0.001 0.000 1.056 304 I CA -0.254 61.039 61.300 -0.011 0.000 1.365 304 I CB 1.432 39.423 38.000 -0.016 0.000 1.407 304 I HN 0.549 nan 8.210 nan 0.000 0.509 305 V N 5.375 125.295 119.914 0.010 0.000 2.575 305 V HA 0.068 4.187 4.120 -0.000 0.000 0.242 305 V C 0.376 176.477 176.094 0.011 0.000 1.045 305 V CA 1.528 63.833 62.300 0.009 0.000 1.065 305 V CB 0.491 32.322 31.823 0.012 0.000 0.717 305 V HN 0.865 nan 8.190 nan 0.000 0.467 540 P HA -0.010 nan 4.420 nan 0.000 0.216 540 P C 0.739 178.049 177.300 0.016 0.000 1.150 540 P CA 1.292 64.403 63.100 0.017 0.000 0.843 540 P CB 0.016 31.721 31.700 0.009 0.000 0.787 541 E N -2.053 118.158 120.200 0.017 0.000 2.481 541 E HA 0.097 4.447 4.350 -0.000 0.000 0.198 541 E C -0.012 176.597 176.600 0.015 0.000 1.027 541 E CA -0.078 56.326 56.400 0.006 0.000 0.900 541 E CB -0.369 29.329 29.700 -0.002 0.000 0.993 541 E HN 0.147 nan 8.360 nan 0.000 0.482 542 N N 0.579 119.315 118.700 0.060 0.000 2.776 542 N HA -0.178 4.562 4.740 -0.000 0.000 0.249 542 N C -0.530 175.069 175.510 0.149 0.000 1.111 542 N CA 0.483 53.617 53.050 0.140 0.000 0.711 542 N CB -1.745 36.766 38.487 0.040 0.000 1.065 542 N HN 0.239 nan 8.380 nan 0.000 0.556 543 L N 1.262 122.540 121.223 0.091 0.000 2.305 543 L HA 0.547 4.887 4.340 -0.000 0.000 0.281 543 L C 1.160 178.081 176.870 0.085 0.000 1.085 543 L CA -0.483 54.401 54.840 0.072 0.000 0.813 543 L CB 0.814 42.894 42.059 0.036 0.000 1.157 543 L HN 0.148 nan 8.230 nan 0.000 0.436 544 I N 0.580 121.204 120.570 0.091 0.000 3.108 544 I HA 0.647 4.817 4.170 -0.000 0.000 0.312 544 I C -1.052 175.102 176.117 0.063 0.000 1.095 544 I CA -0.859 60.479 61.300 0.063 0.000 1.000 544 I CB 2.214 40.250 38.000 0.059 0.000 1.229 544 I HN 0.629 nan 8.210 nan 0.000 0.454 545 Q N 3.110 122.941 119.800 0.051 0.000 2.359 545 Q HA 0.654 4.994 4.340 -0.000 0.000 0.274 545 Q C -1.851 174.193 176.000 0.074 0.000 1.074 545 Q CA -0.766 55.087 55.803 0.083 0.000 0.810 545 Q CB 3.063 31.822 28.738 0.036 0.000 1.342 545 Q HN 0.767 nan 8.270 nan 0.000 0.427 546 I N -0.695 119.963 120.570 0.147 0.000 2.846 546 I HA 0.667 4.837 4.170 -0.000 0.000 0.307 546 I C -1.502 174.690 176.117 0.124 0.000 1.053 546 I CA -0.583 60.775 61.300 0.096 0.000 1.050 546 I CB 2.279 40.317 38.000 0.063 0.000 1.239 546 I HN 0.520 nan 8.210 nan 0.000 0.439 547 K N 4.524 124.951 120.400 0.045 0.000 2.535 547 K HA 0.572 4.892 4.320 -0.000 0.000 0.250 547 K C -1.307 175.292 176.600 -0.001 0.000 0.948 547 K CA -0.560 55.740 56.287 0.022 0.000 0.796 547 K CB 2.177 34.660 32.500 -0.029 0.000 1.216 547 K HN 0.611 nan 8.250 nan 0.000 0.432 548 I N 2.911 123.488 120.570 0.012 0.000 2.618 548 I HA 0.123 4.293 4.170 -0.000 0.000 0.284 548 I C 0.396 176.505 176.117 -0.014 0.000 1.146 548 I CA 0.310 61.603 61.300 -0.012 0.000 1.425 548 I CB 0.761 38.764 38.000 0.005 0.000 1.383 548 I HN 0.655 nan 8.210 nan 0.000 0.562 549 A N 4.516 127.328 122.820 -0.012 0.000 2.486 549 A HA 0.595 4.915 4.320 -0.000 0.000 0.289 549 A C -0.372 177.225 177.584 0.022 0.000 1.176 549 A CA -0.428 51.566 52.037 -0.072 0.000 0.757 549 A CB 1.250 20.165 19.000 -0.141 0.000 1.337 549 A HN 0.739 nan 8.150 nan 0.000 0.423 550 D N -0.703 119.639 120.400 -0.097 0.000 3.241 550 D HA -0.113 4.526 4.640 -0.000 0.000 0.248 550 D C -0.450 175.760 176.300 -0.149 0.000 1.093 550 D CA 0.556 54.522 54.000 -0.056 0.000 0.940 550 D CB -1.161 39.647 40.800 0.013 0.000 0.980 550 D HN 0.468 nan 8.370 nan 0.000 0.421 551 L N 1.177 122.294 121.223 -0.178 0.000 2.779 551 L HA 0.254 4.594 4.340 -0.000 0.000 0.239 551 L C 2.355 179.090 176.870 -0.226 0.000 1.245 551 L CA 0.419 55.084 54.840 -0.293 0.000 1.064 551 L CB -0.115 41.832 42.059 -0.186 0.000 1.350 551 L HN 0.400 nan 8.230 nan 0.000 0.455 552 G N 0.110 108.793 108.800 -0.195 0.000 2.535 552 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.218 552 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.218 552 G C 1.047 175.751 174.900 -0.327 0.000 1.122 552 G CA 0.379 45.317 45.100 -0.270 0.000 0.769 552 G HN 0.409 nan 8.290 nan 0.000 0.549 553 N N -0.261 118.279 118.700 -0.266 0.000 2.184 553 N HA 0.243 4.983 4.740 -0.000 0.000 0.234 553 N C 0.604 176.007 175.510 -0.179 0.000 1.282 553 N CA -0.006 52.930 53.050 -0.189 0.000 0.877 553 N CB 1.092 39.486 38.487 -0.155 0.000 1.184 553 N HN 0.253 nan 8.380 nan 0.000 0.510 554 A N 0.964 123.632 122.820 -0.254 0.000 2.466 554 A HA 0.461 4.781 4.320 -0.000 0.000 0.238 554 A C 0.881 178.291 177.584 -0.290 0.000 1.074 554 A CA -0.100 51.765 52.037 -0.287 0.000 0.774 554 A CB 0.116 18.918 19.000 -0.330 0.000 1.015 554 A HN 0.487 nan 8.150 nan 0.000 0.498 555 C N -0.993 118.067 119.300 -0.400 0.000 3.340 555 C HA 0.918 5.378 4.460 -0.000 0.000 0.333 555 C C -1.179 173.481 174.990 -0.550 0.000 1.464 555 C CA -1.393 57.255 59.018 -0.616 0.000 1.337 555 C CB -0.068 27.424 27.740 -0.414 0.000 1.740 555 C HN 0.874 nan 8.230 nan 0.000 0.450 556 W N 0.156 121.258 121.300 -0.329 0.000 2.509 556 W HA 0.548 5.208 4.660 -0.000 0.000 0.351 556 W C 1.203 177.629 176.519 -0.155 0.000 1.107 556 W CA -0.561 56.661 57.345 -0.205 0.000 1.264 556 W CB 0.477 29.757 29.460 -0.299 0.000 1.312 556 W HN 0.892 nan 8.180 nan 0.000 0.608 557 Y N -0.244 120.179 120.300 0.205 0.000 2.421 557 Y HA -0.153 4.397 4.550 -0.000 0.000 0.292 557 Y C 1.420 177.396 175.900 0.127 0.000 1.136 557 Y CA 1.627 59.797 58.100 0.117 0.000 1.255 557 Y CB -0.470 38.034 38.460 0.073 0.000 0.991 557 Y HN 0.340 nan 8.280 nan 0.000 0.552 558 D N -0.189 119.739 120.400 -0.787 0.000 2.398 558 D HA 0.083 4.722 4.640 -0.000 0.000 0.210 558 D C -0.155 175.952 176.300 -0.322 0.000 1.094 558 D CA -0.003 53.650 54.000 -0.577 0.000 0.839 558 D CB 0.035 40.351 40.800 -0.808 0.000 0.963 558 D HN 0.605 nan 8.370 nan 0.000 0.506 559 E N 0.604 120.723 120.200 -0.135 0.000 2.738 559 E HA 0.087 4.437 4.350 -0.000 0.000 0.347 559 E C -1.208 175.425 176.600 0.054 0.000 1.077 559 E CA -0.540 55.829 56.400 -0.052 0.000 0.755 559 E CB 0.413 30.082 29.700 -0.051 0.000 1.576 559 E HN 0.050 nan 8.360 nan 0.000 0.379 560 H N 1.889 120.851 119.070 -0.181 0.000 2.652 560 H HA 0.106 4.662 4.556 -0.000 0.000 0.349 560 H C 0.429 175.782 175.328 0.041 0.000 1.099 560 H CA 0.099 56.074 56.048 -0.123 0.000 1.417 560 H CB 0.437 30.081 29.762 -0.198 0.000 1.457 560 H HN 0.533 nan 8.280 nan 0.000 0.568 561 Y N 0.445 120.882 120.300 0.228 0.000 2.476 561 Y HA 0.050 4.599 4.550 -0.000 0.000 0.283 561 Y C 0.471 176.452 175.900 0.135 0.000 1.109 561 Y CA 0.411 58.591 58.100 0.134 0.000 1.246 561 Y CB 0.949 39.453 38.460 0.075 0.000 1.068 561 Y HN 0.448 nan 8.280 nan 0.000 0.552 562 T N -1.680 113.092 114.554 0.365 0.000 2.739 562 T HA 0.178 4.527 4.350 -0.000 0.000 0.303 562 T C -0.222 174.714 174.700 0.393 0.000 1.389 562 T CA -0.842 61.429 62.100 0.285 0.000 1.001 562 T CB 1.367 70.345 68.868 0.183 0.000 1.436 562 T HN -0.116 nan 8.240 nan 0.000 0.500 563 N N 0.056 118.933 118.700 0.295 0.000 2.171 563 N HA 0.165 4.905 4.740 -0.000 0.000 0.212 563 N C -0.240 175.346 175.510 0.126 0.000 1.184 563 N CA -0.009 53.241 53.050 0.333 0.000 0.888 563 N CB 0.784 39.467 38.487 0.327 0.000 1.038 563 N HN 0.354 nan 8.380 nan 0.000 0.517 564 S N 1.992 117.745 115.700 0.088 0.000 3.489 564 S HA 0.357 4.827 4.470 -0.000 0.000 0.227 564 S C 0.556 175.135 174.600 -0.034 0.000 1.360 564 S CA -0.559 57.659 58.200 0.030 0.000 0.934 564 S CB -0.353 62.875 63.200 0.047 0.000 1.410 564 S HN 0.244 nan 8.310 nan 0.000 0.483 565 I N -1.129 119.358 120.570 -0.138 0.000 3.023 565 I HA 0.627 4.797 4.170 -0.000 0.000 0.312 565 I C -0.740 175.278 176.117 -0.165 0.000 1.056 565 I CA -1.222 59.956 61.300 -0.204 0.000 1.033 565 I CB 0.984 38.720 38.000 -0.441 0.000 1.233 565 I HN 0.322 nan 8.210 nan 0.000 0.462 566 Q N 0.528 120.258 119.800 -0.116 0.000 3.239 566 Q HA -0.106 4.234 4.340 -0.000 0.000 0.025 566 Q C -0.833 175.189 176.000 0.037 0.000 1.712 566 Q CA 0.538 56.325 55.803 -0.027 0.000 0.239 566 Q CB -0.805 27.916 28.738 -0.029 0.000 0.585 566 Q HN 0.849 nan 8.270 nan 0.000 0.322 567 T N 2.285 116.899 114.554 0.100 0.000 2.799 567 T HA 0.173 4.523 4.350 -0.000 0.000 0.296 567 T C 1.082 175.889 174.700 0.177 0.000 0.947 567 T CA 0.340 62.522 62.100 0.136 0.000 1.141 567 T CB 0.917 69.875 68.868 0.151 0.000 0.891 567 T HN 0.659 nan 8.240 nan 0.000 0.533 568 R N 3.014 123.565 120.500 0.085 0.000 3.650 568 R HA -0.349 3.990 4.340 -0.000 0.000 0.480 568 R C 1.799 178.158 176.300 0.099 0.000 0.346 568 R CA 2.776 58.900 56.100 0.040 0.000 0.668 568 R CB -1.207 29.055 30.300 -0.064 0.000 0.638 568 R HN 0.721 nan 8.270 nan 0.000 0.332 569 E N -1.182 118.824 120.200 -0.323 0.000 2.136 569 E HA -0.216 4.133 4.350 -0.000 0.000 0.202 569 E C 1.734 178.090 176.600 -0.405 0.000 1.019 569 E CA 2.297 58.310 56.400 -0.645 0.000 0.819 569 E CB -0.396 28.504 29.700 -1.333 0.000 0.739 569 E HN 0.712 nan 8.360 nan 0.000 0.458 570 Y N -0.412 119.950 120.300 0.103 0.000 2.462 570 Y HA 0.238 4.788 4.550 -0.000 0.000 0.293 570 Y C 0.556 176.639 175.900 0.305 0.000 1.195 570 Y CA -0.412 57.829 58.100 0.235 0.000 1.276 570 Y CB -0.199 38.334 38.460 0.122 0.000 1.082 570 Y HN -0.228 nan 8.280 nan 0.000 0.514 571 R N 2.072 122.773 120.500 0.335 0.000 2.370 571 R HA 0.141 4.481 4.340 -0.000 0.000 0.309 571 R C 0.412 176.599 176.300 -0.188 0.000 1.059 571 R CA -0.007 56.159 56.100 0.110 0.000 0.981 571 R CB 0.246 30.610 30.300 0.107 0.000 0.972 571 R HN 0.286 nan 8.270 nan 0.000 0.437 572 S N 5.019 120.401 115.700 -0.530 0.000 2.593 572 S HA 0.205 4.675 4.470 -0.000 0.000 0.269 572 S C -1.529 172.477 174.600 -0.990 0.000 1.334 572 S CA -1.037 56.382 58.200 -1.302 0.000 1.015 572 S CB 1.249 63.993 63.200 -0.760 0.000 0.912 572 S HN 0.564 nan 8.310 nan 0.000 0.541 573 P HA -0.049 nan 4.420 nan 0.000 0.223 573 P C 0.643 177.682 177.300 -0.436 0.000 1.151 573 P CA 0.993 63.660 63.100 -0.722 0.000 0.787 573 P CB 0.018 31.316 31.700 -0.669 0.000 0.788 574 E N 0.222 120.209 120.200 -0.355 0.000 2.051 574 E HA -0.102 4.248 4.350 -0.000 0.000 0.192 574 E C 2.179 178.702 176.600 -0.128 0.000 0.991 574 E CA 0.941 57.248 56.400 -0.155 0.000 0.799 574 E CB -1.378 28.313 29.700 -0.014 0.000 0.748 574 E HN 0.039 nan 8.360 nan 0.000 0.449 575 V N 0.947 120.736 119.914 -0.208 0.000 2.515 575 V HA -0.191 3.929 4.120 -0.000 0.000 0.250 575 V C 2.134 178.168 176.094 -0.100 0.000 1.058 575 V CA 1.289 63.482 62.300 -0.178 0.000 1.064 575 V CB -0.408 31.210 31.823 -0.341 0.000 0.675 575 V HN 0.242 nan 8.190 nan 0.000 0.461 576 L N -1.077 120.022 121.223 -0.206 0.000 2.056 576 L HA -0.135 4.205 4.340 -0.000 0.000 0.207 576 L C 2.192 178.985 176.870 -0.129 0.000 1.078 576 L CA 1.122 55.840 54.840 -0.203 0.000 0.749 576 L CB -0.411 41.390 42.059 -0.430 0.000 0.901 576 L HN 0.297 nan 8.230 nan 0.000 0.433 577 L N -0.157 120.959 121.223 -0.179 0.000 2.552 577 L HA 0.114 4.454 4.340 -0.000 0.000 0.227 577 L C 1.464 178.309 176.870 -0.042 0.000 1.146 577 L CA 1.067 55.845 54.840 -0.103 0.000 0.858 577 L CB -0.863 41.104 42.059 -0.154 0.000 0.969 577 L HN 0.387 nan 8.230 nan 0.000 0.451 578 G N -0.976 107.784 108.800 -0.066 0.000 2.176 578 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.252 578 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.252 578 G C 0.447 175.191 174.900 -0.260 0.000 1.024 578 G CA 0.253 45.142 45.100 -0.353 0.000 0.755 578 G HN 0.663 nan 8.290 nan 0.000 0.507 579 A N 0.080 122.828 122.820 -0.120 0.000 2.242 579 A HA 0.952 5.272 4.320 -0.000 0.000 0.304 579 A C -1.372 176.240 177.584 0.046 0.000 1.100 579 A CA -1.116 50.859 52.037 -0.102 0.000 0.860 579 A CB 0.956 19.866 19.000 -0.150 0.000 1.168 579 A HN 0.262 nan 8.150 nan 0.000 0.503 580 P HA 0.230 nan 4.420 nan 0.000 0.272 580 P C -0.798 176.640 177.300 0.229 0.000 1.230 580 P CA 0.184 63.322 63.100 0.064 0.000 0.788 580 P CB 0.439 32.163 31.700 0.040 0.000 0.949 581 W N -0.353 120.994 121.300 0.079 0.000 3.018 581 W HA 0.717 5.377 4.660 -0.000 0.000 0.352 581 W C -1.078 175.450 176.519 0.016 0.000 1.230 581 W CA -0.917 56.445 57.345 0.028 0.000 1.162 581 W CB 0.974 30.405 29.460 -0.050 0.000 1.483 581 W HN 0.652 nan 8.180 nan 0.000 0.584 582 G N -0.670 108.277 108.800 0.245 0.000 2.896 582 G HA2 0.292 4.252 3.960 -0.000 0.000 0.247 582 G HA3 0.292 4.252 3.960 -0.000 0.000 0.247 582 G C -0.101 174.733 174.900 -0.111 0.000 1.187 582 G CA 0.245 45.334 45.100 -0.019 0.000 0.837 582 G HN 0.626 nan 8.290 nan 0.000 0.559 583 C N 0.724 119.783 119.300 -0.400 0.000 2.425 583 C HA 0.097 4.557 4.460 -0.000 0.000 0.277 583 C C 3.091 177.569 174.990 -0.854 0.000 1.280 583 C CA 1.445 60.048 59.018 -0.692 0.000 1.744 583 C CB -1.209 25.989 27.740 -0.903 0.000 1.989 583 C HN 0.864 nan 8.230 nan 0.000 0.491 584 G N 0.385 108.313 108.800 -1.453 0.000 2.501 584 G HA2 -0.045 3.914 3.960 -0.000 0.000 0.220 584 G HA3 -0.045 3.914 3.960 -0.000 0.000 0.220 584 G C 1.745 176.459 174.900 -0.310 0.000 1.114 584 G CA 0.997 45.400 45.100 -1.162 0.000 0.757 584 G HN 0.643 nan 8.290 nan 0.000 0.559 585 A N 1.025 123.716 122.820 -0.216 0.000 1.933 585 A HA -0.059 4.261 4.320 -0.000 0.000 0.218 585 A C 2.088 179.689 177.584 0.028 0.000 1.175 585 A CA 1.900 53.885 52.037 -0.086 0.000 0.628 585 A CB -0.270 18.620 19.000 -0.183 0.000 0.814 585 A HN 0.287 nan 8.150 nan 0.000 0.444 586 D N 0.184 120.608 120.400 0.040 0.000 2.144 586 D HA -0.130 4.510 4.640 -0.000 0.000 0.199 586 D C 1.915 178.310 176.300 0.159 0.000 0.984 586 D CA 1.007 55.083 54.000 0.126 0.000 0.834 586 D CB -0.249 40.694 40.800 0.238 0.000 0.955 586 D HN 0.339 nan 8.370 nan 0.000 0.465 587 I N 0.715 121.400 120.570 0.191 0.000 2.127 587 I HA -0.247 3.923 4.170 -0.000 0.000 0.241 587 I C 2.455 178.675 176.117 0.172 0.000 1.075 587 I CA 0.860 62.276 61.300 0.193 0.000 1.334 587 I CB -1.364 36.796 38.000 0.267 0.000 1.040 587 I HN 0.292 nan 8.210 nan 0.000 0.405 588 W N 2.211 123.532 121.300 0.034 0.000 2.335 588 W HA -0.237 4.423 4.660 -0.000 0.000 0.311 588 W C 2.596 179.155 176.519 0.067 0.000 1.213 588 W CA 1.972 59.342 57.345 0.041 0.000 1.274 588 W CB -0.538 28.940 29.460 0.030 0.000 1.148 588 W HN 0.103 nan 8.180 nan 0.000 0.498 589 S N 0.487 116.425 115.700 0.395 0.000 2.359 589 S HA -0.213 4.257 4.470 -0.000 0.000 0.224 589 S C 1.725 176.437 174.600 0.186 0.000 1.035 589 S CA 2.501 60.907 58.200 0.343 0.000 1.018 589 S CB -0.820 62.524 63.200 0.239 0.000 0.876 589 S HN 0.299 nan 8.310 nan 0.000 0.448 590 T N 2.277 116.883 114.554 0.086 0.000 2.759 590 T HA -0.087 4.262 4.350 -0.000 0.000 0.269 590 T C 2.084 176.763 174.700 -0.035 0.000 1.042 590 T CA 1.212 63.326 62.100 0.023 0.000 1.140 590 T CB -0.524 68.345 68.868 0.002 0.000 0.864 590 T HN 0.470 nan 8.240 nan 0.000 0.455 591 A N 0.759 123.500 122.820 -0.132 0.000 1.883 591 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 591 A C 2.728 180.182 177.584 -0.217 0.000 1.186 591 A CA 1.705 53.588 52.037 -0.257 0.000 0.624 591 A CB -1.386 17.363 19.000 -0.418 0.000 0.822 591 A HN 0.638 nan 8.150 nan 0.000 0.444 592 C N -1.307 117.857 119.300 -0.226 0.000 2.413 592 C HA -0.088 4.372 4.460 -0.000 0.000 0.276 592 C C 2.564 177.609 174.990 0.090 0.000 1.248 592 C CA 1.177 60.093 59.018 -0.170 0.000 1.742 592 C CB -1.504 26.147 27.740 -0.149 0.000 2.017 592 C HN 0.705 nan 8.230 nan 0.000 0.481 593 L N 1.208 122.565 121.223 0.223 0.000 1.994 593 L HA -0.077 4.263 4.340 -0.000 0.000 0.208 593 L C 2.251 179.209 176.870 0.146 0.000 1.071 593 L CA 1.903 56.903 54.840 0.266 0.000 0.745 593 L CB -0.777 41.381 42.059 0.166 0.000 0.892 593 L HN 0.335 nan 8.230 nan 0.000 0.431 594 I N -1.029 119.594 120.570 0.087 0.000 2.194 594 I HA -0.345 3.825 4.170 -0.000 0.000 0.246 594 I C 2.423 178.571 176.117 0.052 0.000 1.093 594 I CA 1.790 63.138 61.300 0.081 0.000 1.355 594 I CB -0.541 37.513 38.000 0.090 0.000 1.046 594 I HN 0.346 nan 8.210 nan 0.000 0.413 595 F N 1.764 121.637 119.950 -0.128 0.000 2.126 595 F HA -0.264 4.263 4.527 -0.000 0.000 0.299 595 F C 2.513 178.220 175.800 -0.154 0.000 1.096 595 F CA 2.072 59.953 58.000 -0.199 0.000 1.255 595 F CB -0.262 38.572 39.000 -0.276 0.000 0.997 595 F HN 0.031 nan 8.300 nan 0.000 0.479 596 E N 0.292 120.516 120.200 0.040 0.000 2.077 596 E HA -0.199 4.151 4.350 -0.000 0.000 0.193 596 E C 2.279 178.803 176.600 -0.128 0.000 0.989 596 E CA 1.448 57.830 56.400 -0.029 0.000 0.800 596 E CB -0.258 29.537 29.700 0.158 0.000 0.746 596 E HN 0.508 nan 8.360 nan 0.000 0.452 597 L N 0.483 121.666 121.223 -0.067 0.000 2.191 597 L HA -0.172 4.168 4.340 -0.000 0.000 0.212 597 L C 2.307 179.106 176.870 -0.118 0.000 1.103 597 L CA 0.783 55.578 54.840 -0.075 0.000 0.769 597 L CB -0.354 41.697 42.059 -0.013 0.000 0.908 597 L HN 0.242 nan 8.230 nan 0.000 0.438 598 I N -0.479 119.988 120.570 -0.171 0.000 2.339 598 I HA -0.162 4.008 4.170 -0.000 0.000 0.245 598 I C 2.529 178.480 176.117 -0.276 0.000 1.096 598 I CA 1.699 62.896 61.300 -0.171 0.000 1.408 598 I CB -0.337 37.533 38.000 -0.217 0.000 1.092 598 I HN 0.307 nan 8.210 nan 0.000 0.423 599 T N -2.534 111.683 114.554 -0.563 0.000 3.044 599 T HA 0.286 4.636 4.350 -0.000 0.000 0.250 599 T C 1.629 176.143 174.700 -0.309 0.000 1.081 599 T CA 0.531 62.227 62.100 -0.672 0.000 1.040 599 T CB 0.646 68.597 68.868 -1.527 0.000 0.962 599 T HN 0.503 nan 8.240 nan 0.000 0.506 600 G N 1.285 109.943 108.800 -0.237 0.000 2.184 600 G HA2 -0.199 3.760 3.960 -0.000 0.000 0.264 600 G HA3 -0.199 3.760 3.960 -0.000 0.000 0.264 600 G C -0.395 174.482 174.900 -0.040 0.000 0.975 600 G CA 0.356 45.386 45.100 -0.115 0.000 0.642 600 G HN 0.641 nan 8.290 nan 0.000 0.536 601 D N -0.843 119.510 120.400 -0.077 0.000 2.414 601 D HA 0.650 5.290 4.640 -0.000 0.000 0.241 601 D C 0.243 176.634 176.300 0.150 0.000 1.008 601 D CA -0.746 53.272 54.000 0.029 0.000 1.001 601 D CB 0.620 41.543 40.800 0.205 0.000 1.277 601 D HN 0.085 nan 8.370 nan 0.000 0.538 602 F N 0.814 120.877 119.950 0.188 0.000 2.399 602 F HA 0.050 4.577 4.527 -0.000 0.000 0.342 602 F C 1.508 177.354 175.800 0.076 0.000 1.106 602 F CA -0.881 57.176 58.000 0.094 0.000 1.196 602 F CB 1.073 40.082 39.000 0.015 0.000 1.163 602 F HN 0.159 nan 8.300 nan 0.000 0.547 603 L N 3.452 124.665 121.223 -0.018 0.000 2.044 603 L HA 0.058 4.398 4.340 -0.000 0.000 0.205 603 L C -0.171 176.307 176.870 -0.654 0.000 1.075 603 L CA 1.799 56.146 54.840 -0.821 0.000 0.747 603 L CB -0.342 40.889 42.059 -1.381 0.000 0.903 603 L HN 0.388 nan 8.230 nan 0.000 0.435 614 K N 2.049 122.465 120.400 0.027 0.000 2.592 614 K HA 0.349 4.669 4.320 -0.000 0.000 0.241 614 K C 0.992 177.661 176.600 0.114 0.000 1.108 614 K CA 1.502 57.819 56.287 0.049 0.000 1.213 614 K CB -1.081 31.439 32.500 0.034 0.000 1.607 614 K HN 0.787 nan 8.250 nan 0.000 0.509 615 D N -0.918 119.567 120.400 0.142 0.000 2.525 615 D HA 0.111 4.750 4.640 -0.000 0.000 0.248 615 D C 1.677 178.114 176.300 0.228 0.000 1.000 615 D CA 0.645 54.784 54.000 0.231 0.000 0.923 615 D CB 0.058 41.092 40.800 0.391 0.000 1.101 615 D HN 0.586 nan 8.370 nan 0.000 0.493 616 D N 0.675 121.202 120.400 0.213 0.000 2.097 616 D HA -0.113 4.527 4.640 -0.000 0.000 0.195 616 D C 1.365 177.687 176.300 0.038 0.000 0.989 616 D CA 1.010 55.091 54.000 0.134 0.000 0.827 616 D CB 0.028 40.855 40.800 0.044 0.000 0.966 616 D HN 0.125 nan 8.370 nan 0.000 0.456 617 D N -0.610 119.819 120.400 0.048 0.000 2.144 617 D HA -0.160 4.480 4.640 -0.000 0.000 0.200 617 D C 1.856 178.199 176.300 0.071 0.000 0.978 617 D CA 0.905 54.928 54.000 0.039 0.000 0.833 617 D CB -0.216 40.607 40.800 0.038 0.000 0.961 617 D HN 0.275 nan 8.370 nan 0.000 0.470 618 H N 0.883 119.925 119.070 -0.047 0.000 2.457 618 H HA 0.025 4.581 4.556 -0.000 0.000 0.294 618 H C 1.973 177.187 175.328 -0.190 0.000 1.064 618 H CA 0.804 56.795 56.048 -0.095 0.000 1.330 618 H CB -0.233 29.478 29.762 -0.085 0.000 1.395 618 H HN 0.173 nan 8.280 nan 0.000 0.541 619 I N -0.662 119.830 120.570 -0.129 0.000 2.703 619 I HA -0.016 4.153 4.170 -0.000 0.000 0.259 619 I C 2.532 178.565 176.117 -0.140 0.000 1.151 619 I CA 0.722 61.875 61.300 -0.245 0.000 1.470 619 I CB -0.244 37.576 38.000 -0.301 0.000 1.112 619 I HN 0.242 nan 8.210 nan 0.000 0.437 620 A N 0.400 123.170 122.820 -0.083 0.000 1.968 620 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 620 A C 2.216 179.776 177.584 -0.041 0.000 1.169 620 A CA 1.185 53.183 52.037 -0.065 0.000 0.638 620 A CB -0.392 18.573 19.000 -0.058 0.000 0.812 620 A HN 0.413 nan 8.150 nan 0.000 0.446 621 Q N -0.476 119.321 119.800 -0.006 0.000 2.167 621 Q HA -0.046 4.294 4.340 -0.000 0.000 0.202 621 Q C 1.911 177.936 176.000 0.041 0.000 0.970 621 Q CA 1.271 57.121 55.803 0.079 0.000 0.855 621 Q CB -0.244 28.607 28.738 0.187 0.000 0.911 621 Q HN 0.738 nan 8.270 nan 0.000 0.438 622 I N 0.463 120.916 120.570 -0.194 0.000 2.163 622 I HA -0.259 3.911 4.170 -0.000 0.000 0.240 622 I C 2.067 178.202 176.117 0.029 0.000 1.081 622 I CA 0.771 61.936 61.300 -0.225 0.000 1.353 622 I CB -0.309 37.497 38.000 -0.324 0.000 1.054 622 I HN 0.228 nan 8.210 nan 0.000 0.407 623 I N 0.886 121.464 120.570 0.014 0.000 2.127 623 I HA -0.325 3.845 4.170 -0.000 0.000 0.241 623 I C 2.555 178.738 176.117 0.110 0.000 1.075 623 I CA 1.741 63.092 61.300 0.086 0.000 1.334 623 I CB -1.379 36.651 38.000 0.050 0.000 1.040 623 I HN 0.411 nan 8.210 nan 0.000 0.405 624 E N 0.867 121.070 120.200 0.006 0.000 2.147 624 E HA -0.277 4.073 4.350 -0.000 0.000 0.199 624 E C 2.271 178.990 176.600 0.199 0.000 1.005 624 E CA 1.625 58.029 56.400 0.007 0.000 0.810 624 E CB -0.032 29.682 29.700 0.024 0.000 0.736 624 E HN 0.391 nan 8.360 nan 0.000 0.460 625 L N -0.394 120.957 121.223 0.212 0.000 2.221 625 L HA 0.093 4.433 4.340 -0.000 0.000 0.202 625 L C 1.816 178.786 176.870 0.167 0.000 1.074 625 L CA 1.014 55.971 54.840 0.194 0.000 0.795 625 L CB 0.189 42.382 42.059 0.222 0.000 0.960 625 L HN 0.136 nan 8.230 nan 0.000 0.458 626 L N -0.507 120.830 121.223 0.189 0.000 2.664 626 L HA 0.486 4.826 4.340 -0.000 0.000 0.233 626 L C 0.850 177.821 176.870 0.168 0.000 1.113 626 L CA 0.154 55.090 54.840 0.160 0.000 0.896 626 L CB -0.179 41.989 42.059 0.182 0.000 1.163 626 L HN 0.413 nan 8.230 nan 0.000 0.497 627 G N 0.366 109.309 108.800 0.239 0.000 2.710 627 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.668 627 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.668 627 G C -0.659 174.375 174.900 0.224 0.000 1.320 627 G CA -1.007 44.256 45.100 0.271 0.000 0.860 627 G HN 0.013 nan 8.290 nan 0.000 0.538 628 E N -0.177 120.150 120.200 0.212 0.000 2.452 628 E HA 0.264 4.614 4.350 -0.000 0.000 0.261 628 E C 0.884 177.530 176.600 0.078 0.000 0.987 628 E CA -0.344 56.148 56.400 0.153 0.000 0.926 628 E CB 0.529 30.300 29.700 0.119 0.000 0.934 628 E HN 0.381 nan 8.360 nan 0.000 0.452 629 L N 4.187 125.436 121.223 0.042 0.000 2.473 629 L HA 0.161 4.501 4.340 -0.000 0.000 0.268 629 L C -1.812 175.042 176.870 -0.027 0.000 1.215 629 L CA -1.410 53.425 54.840 -0.008 0.000 0.823 629 L CB -0.978 41.039 42.059 -0.070 0.000 1.099 629 L HN 0.326 nan 8.230 nan 0.000 0.483 630 P HA 0.204 nan 4.420 nan 0.000 0.279 630 P C 0.513 177.805 177.300 -0.014 0.000 1.239 630 P CA -0.375 62.729 63.100 0.007 0.000 0.789 630 P CB 0.776 32.505 31.700 0.047 0.000 0.933 631 S N 1.891 117.582 115.700 -0.015 0.000 2.407 631 S HA -0.318 4.152 4.470 -0.000 0.000 0.235 631 S C 1.865 176.445 174.600 -0.033 0.000 1.036 631 S CA 1.186 59.360 58.200 -0.042 0.000 1.013 631 S CB -1.550 61.636 63.200 -0.023 0.000 0.820 631 S HN 0.523 nan 8.310 nan 0.000 0.476 632 Y N 2.407 122.658 120.300 -0.082 0.000 2.081 632 Y HA -0.144 4.406 4.550 -0.000 0.000 0.280 632 Y C 2.090 177.940 175.900 -0.083 0.000 1.163 632 Y CA 1.745 59.799 58.100 -0.077 0.000 1.135 632 Y CB -0.547 37.864 38.460 -0.080 0.000 0.970 632 Y HN 0.245 nan 8.280 nan 0.000 0.498 633 L N -0.684 120.447 121.223 -0.152 0.000 2.027 633 L HA -0.242 4.098 4.340 -0.000 0.000 0.206 633 L C 2.472 179.181 176.870 -0.268 0.000 1.074 633 L CA 1.470 56.167 54.840 -0.237 0.000 0.745 633 L CB -0.673 41.321 42.059 -0.108 0.000 0.898 633 L HN 0.308 nan 8.230 nan 0.000 0.433 634 L N -0.552 120.525 121.223 -0.243 0.000 2.017 634 L HA -0.204 4.135 4.340 -0.000 0.000 0.208 634 L C 2.754 179.501 176.870 -0.204 0.000 1.073 634 L CA 1.279 55.963 54.840 -0.260 0.000 0.745 634 L CB -0.621 41.242 42.059 -0.327 0.000 0.894 634 L HN 0.253 nan 8.230 nan 0.000 0.432 635 R N 0.649 121.028 120.500 -0.201 0.000 2.189 635 R HA -0.114 4.226 4.340 -0.000 0.000 0.223 635 R C 0.963 177.140 176.300 -0.206 0.000 1.092 635 R CA 1.616 57.614 56.100 -0.169 0.000 0.989 635 R CB -0.029 30.192 30.300 -0.132 0.000 0.876 635 R HN 0.408 nan 8.270 nan 0.000 0.457 636 N N -0.907 117.604 118.700 -0.316 0.000 2.187 636 N HA 0.147 4.887 4.740 -0.000 0.000 0.212 636 N C -0.501 174.856 175.510 -0.255 0.000 1.152 636 N CA 0.170 53.032 53.050 -0.314 0.000 0.872 636 N CB 1.644 39.828 38.487 -0.505 0.000 1.025 636 N HN 0.158 nan 8.380 nan 0.000 0.514 637 G N 0.372 109.040 108.800 -0.220 0.000 2.320 637 G HA2 0.131 4.091 3.960 -0.000 0.000 0.300 637 G HA3 0.131 4.091 3.960 -0.000 0.000 0.300 637 G C 0.516 175.320 174.900 -0.160 0.000 1.126 637 G CA -0.464 44.524 45.100 -0.186 0.000 0.896 637 G HN 0.126 nan 8.290 nan 0.000 0.436 638 K N 1.778 122.002 120.400 -0.293 0.000 2.442 638 K HA -0.031 4.289 4.320 -0.000 0.000 0.198 638 K C 0.489 177.036 176.600 -0.089 0.000 1.042 638 K CA 1.071 57.191 56.287 -0.278 0.000 0.958 638 K CB 0.133 32.358 32.500 -0.459 0.000 0.766 638 K HN 0.794 nan 8.250 nan 0.000 0.474 639 Y N -0.850 119.529 120.300 0.132 0.000 2.481 639 Y HA 0.076 4.625 4.550 -0.000 0.000 0.247 639 Y C 2.035 178.174 175.900 0.398 0.000 1.151 639 Y CA -0.576 57.679 58.100 0.259 0.000 1.238 639 Y CB 0.446 39.155 38.460 0.415 0.000 1.179 639 Y HN -0.054 nan 8.280 nan 0.000 0.524 640 T N 0.689 115.461 114.554 0.363 0.000 2.649 640 T HA -0.312 4.038 4.350 -0.000 0.000 0.268 640 T C 1.954 176.944 174.700 0.483 0.000 1.036 640 T CA 2.052 64.381 62.100 0.381 0.000 1.157 640 T CB -0.210 68.707 68.868 0.083 0.000 0.861 640 T HN 0.190 nan 8.240 nan 0.000 0.445 641 R N 0.971 121.646 120.500 0.291 0.000 2.091 641 R HA -0.103 4.237 4.340 -0.000 0.000 0.238 641 R C 2.682 179.080 176.300 0.164 0.000 1.136 641 R CA 2.267 58.491 56.100 0.205 0.000 0.959 641 R CB -1.172 29.203 30.300 0.126 0.000 0.856 641 R HN 0.630 nan 8.270 nan 0.000 0.437 642 T N -2.384 112.242 114.554 0.120 0.000 2.881 642 T HA -0.088 4.262 4.350 -0.000 0.000 0.270 642 T C 1.691 176.205 174.700 -0.310 0.000 1.068 642 T CA 1.291 63.301 62.100 -0.150 0.000 1.131 642 T CB -0.355 68.302 68.868 -0.351 0.000 0.871 642 T HN 0.172 nan 8.240 nan 0.000 0.479 643 F N 0.301 120.257 119.950 0.010 0.000 2.317 643 F HA 0.435 4.962 4.527 -0.000 0.000 0.290 643 F C 0.782 176.357 175.800 -0.375 0.000 1.075 643 F CA -0.613 57.250 58.000 -0.228 0.000 1.380 643 F CB -0.023 38.760 39.000 -0.361 0.000 1.093 643 F HN 0.080 nan 8.300 nan 0.000 0.524 644 F N -0.853 119.211 119.950 0.189 0.000 2.585 644 F HA 0.406 4.932 4.527 -0.000 0.000 0.350 644 F C 1.018 176.854 175.800 0.060 0.000 1.074 644 F CA -0.831 57.228 58.000 0.100 0.000 1.032 644 F CB 0.400 39.449 39.000 0.081 0.000 1.330 644 F HN -0.197 nan 8.300 nan 0.000 0.495 645 N N -1.511 117.342 118.700 0.255 0.000 2.518 645 N HA -0.072 4.668 4.740 -0.000 0.000 0.301 645 N C -0.815 174.759 175.510 0.107 0.000 0.692 645 N CA 1.096 54.229 53.050 0.139 0.000 0.847 645 N CB 0.134 38.672 38.487 0.085 0.000 2.321 645 N HN 0.684 nan 8.380 nan 0.000 1.339 650 L N 3.331 124.571 121.223 0.028 0.000 2.601 650 L HA 0.174 4.514 4.340 -0.000 0.000 0.277 650 L C 1.974 178.789 176.870 -0.093 0.000 1.219 650 L CA 0.181 54.898 54.840 -0.205 0.000 0.915 650 L CB 0.380 42.302 42.059 -0.228 0.000 1.160 650 L HN 0.923 nan 8.230 nan 0.000 0.494 651 R N 2.711 123.149 120.500 -0.104 0.000 2.088 651 R HA -0.217 4.122 4.340 -0.000 0.000 0.232 651 R C 2.244 178.509 176.300 -0.059 0.000 1.136 651 R CA 1.873 57.937 56.100 -0.060 0.000 0.926 651 R CB -0.820 29.439 30.300 -0.069 0.000 0.837 651 R HN 0.887 nan 8.270 nan 0.000 0.429 652 N N 1.780 120.434 118.700 -0.078 0.000 2.051 652 N HA -0.085 4.655 4.740 -0.000 0.000 0.192 652 N C 0.951 176.432 175.510 -0.048 0.000 1.049 652 N CA 1.147 54.161 53.050 -0.061 0.000 0.845 652 N CB -0.657 37.790 38.487 -0.067 0.000 1.031 652 N HN -0.044 nan 8.380 nan 0.000 0.425 653 I N 1.054 121.592 120.570 -0.054 0.000 2.932 653 I HA -0.027 4.143 4.170 -0.000 0.000 0.295 653 I C 1.439 177.534 176.117 -0.036 0.000 1.227 653 I CA 0.226 61.499 61.300 -0.045 0.000 1.429 653 I CB 0.948 38.915 38.000 -0.056 0.000 1.339 653 I HN 0.329 nan 8.210 nan 0.000 0.589 654 S N 4.410 120.092 115.700 -0.030 0.000 2.356 654 S HA 0.120 4.590 4.470 -0.000 0.000 0.179 654 S C 0.393 174.979 174.600 -0.023 0.000 0.940 654 S CA 0.122 58.309 58.200 -0.021 0.000 0.955 654 S CB -0.023 63.166 63.200 -0.018 0.000 0.861 654 S HN 0.703 nan 8.310 nan 0.000 0.527 655 K N 0.916 121.299 120.400 -0.030 0.000 2.098 655 K HA 0.550 4.869 4.320 -0.000 0.000 0.244 655 K C -1.164 175.390 176.600 -0.077 0.000 1.014 655 K CA -0.351 55.913 56.287 -0.038 0.000 0.917 655 K CB 0.439 32.918 32.500 -0.034 0.000 1.072 655 K HN 0.227 nan 8.250 nan 0.000 0.477 656 L N 1.656 122.809 121.223 -0.117 0.000 2.563 656 L HA 0.297 4.636 4.340 -0.000 0.000 0.259 656 L C -1.215 175.421 176.870 -0.390 0.000 1.034 656 L CA -0.631 54.043 54.840 -0.277 0.000 0.899 656 L CB 1.662 43.523 42.059 -0.330 0.000 1.159 656 L HN 0.657 nan 8.230 nan 0.000 0.456 657 K N 3.283 123.522 120.400 -0.269 0.000 2.268 657 K HA 0.446 4.766 4.320 -0.000 0.000 0.276 657 K C -0.811 175.718 176.600 -0.117 0.000 1.080 657 K CA -0.539 55.668 56.287 -0.134 0.000 0.910 657 K CB 0.831 33.293 32.500 -0.063 0.000 1.163 657 K HN 0.136 nan 8.250 nan 0.000 0.465 658 F N 2.295 122.309 119.950 0.106 0.000 2.543 658 F HA 0.079 4.606 4.527 -0.000 0.000 0.375 658 F C 0.198 176.154 175.800 0.259 0.000 1.075 658 F CA -0.225 57.869 58.000 0.156 0.000 1.225 658 F CB 0.261 39.330 39.000 0.116 0.000 1.099 658 F HN 0.519 nan 8.300 nan 0.000 0.561 659 W N 7.474 128.882 121.300 0.180 0.000 2.604 659 W HA 0.463 5.123 4.660 -0.001 0.000 0.302 659 W C -2.869 173.717 176.519 0.111 0.000 1.013 659 W CA -3.427 53.993 57.345 0.125 0.000 1.338 659 W CB 0.937 30.449 29.460 0.086 0.000 1.233 659 W HN 0.267 nan 8.180 nan 0.000 0.390 660 P HA -0.110 nan 4.420 nan 0.000 0.267 660 P C 1.064 178.205 177.300 -0.264 0.000 1.201 660 P CA 0.008 63.073 63.100 -0.058 0.000 0.775 660 P CB 0.807 32.502 31.700 -0.008 0.000 0.854 661 L N 2.803 123.905 121.223 -0.201 0.000 2.012 661 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 661 L C 2.074 178.803 176.870 -0.235 0.000 1.073 661 L CA 1.940 56.629 54.840 -0.251 0.000 0.748 661 L CB -1.138 40.791 42.059 -0.216 0.000 0.891 661 L HN 0.465 nan 8.230 nan 0.000 0.431 662 E N -0.828 119.268 120.200 -0.174 0.000 2.085 662 E HA -0.260 4.089 4.350 -0.000 0.000 0.194 662 E C 1.651 178.178 176.600 -0.122 0.000 0.994 662 E CA 1.540 57.861 56.400 -0.131 0.000 0.801 662 E CB -0.060 29.591 29.700 -0.081 0.000 0.743 662 E HN 0.585 nan 8.360 nan 0.000 0.453 663 D N -0.092 120.205 120.400 -0.173 0.000 2.178 663 D HA -0.124 4.516 4.640 -0.000 0.000 0.202 663 D C 2.034 178.160 176.300 -0.290 0.000 0.974 663 D CA 0.781 54.699 54.000 -0.138 0.000 0.841 663 D CB -0.043 40.722 40.800 -0.058 0.000 0.953 663 D HN 0.125 nan 8.370 nan 0.000 0.478 664 V N 0.966 120.471 119.914 -0.681 0.000 2.427 664 V HA -0.181 3.938 4.120 -0.000 0.000 0.248 664 V C 2.597 178.680 176.094 -0.018 0.000 1.051 664 V CA 1.033 62.892 62.300 -0.736 0.000 1.048 664 V CB -0.383 30.991 31.823 -0.747 0.000 0.666 664 V HN 0.176 nan 8.190 nan 0.000 0.456 665 L N 0.385 121.637 121.223 0.049 0.000 2.072 665 L HA -0.130 4.209 4.340 -0.000 0.000 0.205 665 L C 2.844 179.917 176.870 0.338 0.000 1.079 665 L CA 2.018 57.002 54.840 0.239 0.000 0.752 665 L CB -1.000 41.005 42.059 -0.090 0.000 0.906 665 L HN 0.586 nan 8.230 nan 0.000 0.436 666 T N -2.855 111.804 114.554 0.175 0.000 2.698 666 T HA -0.153 4.197 4.350 -0.000 0.000 0.260 666 T C 1.659 176.460 174.700 0.168 0.000 1.044 666 T CA 1.102 63.312 62.100 0.183 0.000 1.149 666 T CB -0.359 68.580 68.868 0.118 0.000 0.864 666 T HN 0.268 nan 8.240 nan 0.000 0.419 667 E N 1.101 121.400 120.200 0.165 0.000 2.031 667 E HA -0.061 4.289 4.350 -0.000 0.000 0.193 667 E C 2.342 179.027 176.600 0.141 0.000 0.994 667 E CA 1.171 57.682 56.400 0.186 0.000 0.800 667 E CB -0.085 29.805 29.700 0.316 0.000 0.752 667 E HN 0.565 nan 8.360 nan 0.000 0.447 668 K N -0.289 120.178 120.400 0.112 0.000 2.166 668 K HA -0.045 4.275 4.320 -0.000 0.000 0.201 668 K C 1.135 177.529 176.600 -0.344 0.000 1.052 668 K CA 0.810 57.017 56.287 -0.134 0.000 0.969 668 K CB 0.195 32.537 32.500 -0.264 0.000 0.761 668 K HN 0.144 nan 8.250 nan 0.000 0.459 669 Y N 0.868 121.254 120.300 0.143 0.000 2.458 669 Y HA 0.216 4.766 4.550 -0.000 0.000 0.256 669 Y C -0.145 175.725 175.900 -0.050 0.000 1.159 669 Y CA -0.433 57.717 58.100 0.083 0.000 1.261 669 Y CB 0.872 39.461 38.460 0.215 0.000 1.119 669 Y HN -0.102 nan 8.280 nan 0.000 0.524 670 K N -0.555 119.916 120.400 0.119 0.000 3.117 670 K HA -0.204 4.116 4.320 -0.000 0.000 0.269 670 K C -0.845 175.745 176.600 -0.016 0.000 1.098 670 K CA 0.462 56.768 56.287 0.031 0.000 0.785 670 K CB -2.630 29.847 32.500 -0.039 0.000 1.242 670 K HN 0.305 nan 8.250 nan 0.000 0.491 671 F N 1.119 121.111 119.950 0.071 0.000 2.378 671 F HA 0.180 4.707 4.527 -0.000 0.000 0.319 671 F C 1.802 177.624 175.800 0.038 0.000 1.155 671 F CA 0.066 58.094 58.000 0.047 0.000 1.157 671 F CB 0.602 39.620 39.000 0.030 0.000 1.252 671 F HN 0.096 nan 8.300 nan 0.000 0.550 672 S N 0.934 116.778 115.700 0.238 0.000 2.614 672 S HA 0.168 4.638 4.470 -0.000 0.000 0.265 672 S C 1.132 175.810 174.600 0.129 0.000 1.303 672 S CA -0.761 57.524 58.200 0.142 0.000 1.000 672 S CB 1.095 64.361 63.200 0.109 0.000 0.935 672 S HN 0.771 nan 8.310 nan 0.000 0.551 673 K N 0.538 120.990 120.400 0.086 0.000 2.063 673 K HA -0.202 4.117 4.320 -0.000 0.000 0.208 673 K C 1.321 177.951 176.600 0.050 0.000 1.048 673 K CA 2.003 58.327 56.287 0.061 0.000 0.928 673 K CB -0.415 32.114 32.500 0.048 0.000 0.713 673 K HN 0.687 nan 8.250 nan 0.000 0.442 674 D N 0.369 120.804 120.400 0.059 0.000 2.087 674 D HA -0.185 4.454 4.640 -0.000 0.000 0.192 674 D C 1.911 178.243 176.300 0.054 0.000 0.993 674 D CA 1.291 55.325 54.000 0.055 0.000 0.828 674 D CB -0.075 40.763 40.800 0.063 0.000 0.968 674 D HN 0.262 nan 8.370 nan 0.000 0.448 675 E N 1.137 121.389 120.200 0.087 0.000 2.038 675 E HA -0.153 4.197 4.350 -0.000 0.000 0.195 675 E C 1.930 178.474 176.600 -0.094 0.000 1.000 675 E CA 1.650 58.097 56.400 0.078 0.000 0.803 675 E CB -0.423 29.421 29.700 0.239 0.000 0.750 675 E HN 0.176 nan 8.360 nan 0.000 0.448 676 A N 0.688 123.462 122.820 -0.077 0.000 1.892 676 A HA -0.283 4.037 4.320 -0.000 0.000 0.218 676 A C 2.142 179.621 177.584 -0.174 0.000 1.188 676 A CA 2.179 54.101 52.037 -0.191 0.000 0.631 676 A CB -0.579 18.384 19.000 -0.060 0.000 0.822 676 A HN 0.244 nan 8.150 nan 0.000 0.447 677 K N -0.863 119.488 120.400 -0.082 0.000 2.002 677 K HA -0.186 4.134 4.320 -0.000 0.000 0.209 677 K C 2.212 178.776 176.600 -0.059 0.000 1.048 677 K CA 1.616 57.870 56.287 -0.055 0.000 0.930 677 K CB -0.189 32.306 32.500 -0.008 0.000 0.714 677 K HN 0.686 nan 8.250 nan 0.000 0.438 678 E N 0.927 121.098 120.200 -0.047 0.000 2.058 678 E HA -0.216 4.133 4.350 -0.000 0.000 0.194 678 E C 1.950 178.411 176.600 -0.230 0.000 0.997 678 E CA 1.346 57.740 56.400 -0.010 0.000 0.801 678 E CB -0.046 29.693 29.700 0.066 0.000 0.746 678 E HN 0.239 nan 8.360 nan 0.000 0.450 679 I N 0.289 120.555 120.570 -0.507 0.000 2.286 679 I HA -0.240 3.930 4.170 -0.000 0.000 0.248 679 I C 2.637 178.493 176.117 -0.435 0.000 1.115 679 I CA 0.907 61.730 61.300 -0.794 0.000 1.392 679 I CB -0.219 37.237 38.000 -0.907 0.000 1.065 679 I HN 0.132 nan 8.210 nan 0.000 0.418 680 S N 0.599 116.128 115.700 -0.284 0.000 2.387 680 S HA -0.200 4.270 4.470 -0.000 0.000 0.226 680 S C 1.497 176.033 174.600 -0.106 0.000 1.026 680 S CA 1.709 59.794 58.200 -0.192 0.000 0.972 680 S CB -0.291 62.821 63.200 -0.146 0.000 0.814 680 S HN 0.419 nan 8.310 nan 0.000 0.477 681 D N -0.191 120.198 120.400 -0.018 0.000 2.218 681 D HA -0.025 4.615 4.640 -0.000 0.000 0.204 681 D C 1.354 177.780 176.300 0.211 0.000 0.976 681 D CA 0.840 54.928 54.000 0.148 0.000 0.853 681 D CB -0.100 40.878 40.800 0.297 0.000 0.939 681 D HN 0.443 nan 8.370 nan 0.000 0.481 682 F N 0.580 120.349 119.950 -0.301 0.000 2.147 682 F HA 0.107 4.634 4.527 -0.000 0.000 0.291 682 F C 1.612 177.243 175.800 -0.283 0.000 1.093 682 F CA 0.976 58.618 58.000 -0.597 0.000 1.263 682 F CB -0.246 38.227 39.000 -0.879 0.000 1.036 682 F HN -0.118 nan 8.300 nan 0.000 0.481 683 L N -0.876 120.117 121.223 -0.384 0.000 2.131 683 L HA -0.120 4.219 4.340 -0.000 0.000 0.206 683 L C 2.468 179.166 176.870 -0.286 0.000 1.087 683 L CA 1.002 55.585 54.840 -0.429 0.000 0.767 683 L CB -1.000 40.851 42.059 -0.346 0.000 0.917 683 L HN 0.039 nan 8.230 nan 0.000 0.441 684 S N 0.480 116.070 115.700 -0.183 0.000 2.359 684 S HA -0.134 4.336 4.470 -0.000 0.000 0.223 684 S C -0.379 174.187 174.600 -0.057 0.000 1.039 684 S CA 1.730 59.862 58.200 -0.113 0.000 1.042 684 S CB -1.237 61.922 63.200 -0.068 0.000 0.915 684 S HN 0.279 nan 8.310 nan 0.000 0.439 685 P HA -0.072 nan 4.420 nan 0.000 0.220 685 P C 1.238 178.569 177.300 0.052 0.000 1.144 685 P CA 1.165 64.303 63.100 0.063 0.000 0.800 685 P CB -0.087 31.713 31.700 0.167 0.000 0.772 686 M N -1.992 117.580 119.600 -0.046 0.000 2.334 686 M HA -0.006 4.474 4.480 -0.000 0.000 0.266 686 M C 1.405 177.700 176.300 -0.008 0.000 1.082 686 M CA 1.237 56.516 55.300 -0.034 0.000 1.141 686 M CB -0.408 32.081 32.600 -0.185 0.000 1.380 686 M HN -0.098 nan 8.290 nan 0.000 0.440 687 L N 0.633 121.788 121.223 -0.114 0.000 2.672 687 L HA 0.048 4.387 4.340 -0.000 0.000 0.236 687 L C 0.635 177.612 176.870 0.178 0.000 1.186 687 L CA -0.370 54.376 54.840 -0.156 0.000 0.977 687 L CB -0.656 41.216 42.059 -0.313 0.000 1.203 687 L HN 0.205 nan 8.230 nan 0.000 0.448 688 Q N 1.154 121.076 119.800 0.203 0.000 2.244 688 Q HA -0.006 4.334 4.340 -0.000 0.000 0.278 688 Q C 0.897 177.058 176.000 0.268 0.000 1.093 688 Q CA 0.506 56.427 55.803 0.197 0.000 0.916 688 Q CB 0.778 29.614 28.738 0.163 0.000 1.159 688 Q HN 0.355 nan 8.270 nan 0.000 0.384 689 L N 2.088 123.441 121.223 0.216 0.000 2.083 689 L HA -0.077 4.263 4.340 -0.000 0.000 0.209 689 L C 0.935 177.853 176.870 0.080 0.000 1.083 689 L CA 0.827 55.759 54.840 0.153 0.000 0.752 689 L CB -0.206 41.914 42.059 0.102 0.000 0.899 689 L HN 0.677 nan 8.230 nan 0.000 0.433 690 D N 1.200 121.640 120.400 0.068 0.000 2.344 690 D HA 0.046 4.686 4.640 -0.000 0.000 0.253 690 D C -1.483 174.826 176.300 0.013 0.000 1.255 690 D CA -1.883 52.124 54.000 0.012 0.000 0.894 690 D CB 1.306 42.068 40.800 -0.063 0.000 1.067 690 D HN 0.037 nan 8.370 nan 0.000 0.492 691 P HA -0.137 nan 4.420 nan 0.000 0.226 691 P C 0.901 178.250 177.300 0.081 0.000 1.146 691 P CA 0.684 63.827 63.100 0.071 0.000 0.773 691 P CB 0.348 32.109 31.700 0.101 0.000 0.772 692 R N -0.285 120.110 120.500 -0.175 0.000 2.200 692 R HA 0.063 4.403 4.340 -0.000 0.000 0.208 692 R C 2.066 178.349 176.300 -0.028 0.000 1.033 692 R CA 0.630 56.535 56.100 -0.324 0.000 1.000 692 R CB -0.026 29.749 30.300 -0.876 0.000 0.906 692 R HN 0.176 nan 8.270 nan 0.000 0.462 693 K N 0.608 121.019 120.400 0.018 0.000 2.242 693 K HA 0.038 4.358 4.320 -0.000 0.000 0.200 693 K C 0.724 177.429 176.600 0.174 0.000 1.050 693 K CA -0.057 56.264 56.287 0.057 0.000 0.981 693 K CB 0.000 32.511 32.500 0.017 0.000 0.795 693 K HN 0.003 nan 8.250 nan 0.000 0.477 694 R N 1.928 122.598 120.500 0.283 0.000 2.474 694 R HA -0.068 4.272 4.340 -0.000 0.000 0.290 694 R C -0.318 176.234 176.300 0.420 0.000 0.918 694 R CA 0.113 56.437 56.100 0.373 0.000 1.130 694 R CB 0.159 30.719 30.300 0.434 0.000 0.881 694 R HN 0.145 nan 8.270 nan 0.000 0.416 695 A N 4.793 127.775 122.820 0.271 0.000 2.445 695 A HA 0.054 4.374 4.320 -0.000 0.000 0.242 695 A C -0.096 177.617 177.584 0.214 0.000 1.075 695 A CA -0.180 51.956 52.037 0.165 0.000 0.777 695 A CB 0.174 19.259 19.000 0.140 0.000 1.013 695 A HN 0.885 nan 8.150 nan 0.000 0.493 696 D N 1.237 121.606 120.400 -0.051 0.000 2.354 696 D HA 0.361 5.000 4.640 -0.000 0.000 0.247 696 D C 1.048 177.426 176.300 0.131 0.000 1.138 696 D CA 0.142 54.113 54.000 -0.047 0.000 0.958 696 D CB 1.351 41.920 40.800 -0.386 0.000 1.144 696 D HN 0.413 nan 8.370 nan 0.000 0.458 697 A N 1.534 124.489 122.820 0.224 0.000 1.940 697 A HA -0.070 4.250 4.320 -0.000 0.000 0.219 697 A C 2.106 179.737 177.584 0.080 0.000 1.176 697 A CA 2.066 54.183 52.037 0.134 0.000 0.631 697 A CB -1.331 17.720 19.000 0.085 0.000 0.814 697 A HN 0.746 nan 8.150 nan 0.000 0.446 698 G N -0.473 108.362 108.800 0.059 0.000 2.459 698 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.217 698 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.217 698 G C 1.572 176.488 174.900 0.026 0.000 1.183 698 G CA 1.281 46.403 45.100 0.036 0.000 0.776 698 G HN 0.734 nan 8.290 nan 0.000 0.552 699 G N 0.651 109.457 108.800 0.009 0.000 2.432 699 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.219 699 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.219 699 G C 1.805 176.720 174.900 0.024 0.000 1.135 699 G CA 0.677 45.775 45.100 -0.004 0.000 0.767 699 G HN 0.425 nan 8.290 nan 0.000 0.550 700 L N 0.345 121.613 121.223 0.076 0.000 2.191 700 L HA -0.063 4.276 4.340 -0.000 0.000 0.212 700 L C 2.891 179.919 176.870 0.264 0.000 1.103 700 L CA 0.131 55.080 54.840 0.182 0.000 0.769 700 L CB -0.280 41.855 42.059 0.126 0.000 0.908 700 L HN 0.077 nan 8.230 nan 0.000 0.438 701 V N 0.160 120.161 119.914 0.144 0.000 2.407 701 V HA -0.257 3.863 4.120 -0.000 0.000 0.248 701 V C 1.786 177.922 176.094 0.070 0.000 1.055 701 V CA 1.699 64.061 62.300 0.104 0.000 1.049 701 V CB -0.595 31.255 31.823 0.044 0.000 0.662 701 V HN 0.572 nan 8.190 nan 0.000 0.455 702 N N -0.959 117.766 118.700 0.042 0.000 2.521 702 N HA -0.071 4.669 4.740 -0.000 0.000 0.188 702 N C 0.791 176.283 175.510 -0.030 0.000 1.146 702 N CA 0.208 53.251 53.050 -0.011 0.000 0.893 702 N CB -0.501 37.960 38.487 -0.043 0.000 0.975 702 N HN 0.575 nan 8.380 nan 0.000 0.451 703 H N 3.116 122.166 119.070 -0.034 0.000 2.897 703 H HA 0.023 4.579 4.556 -0.000 0.000 0.347 703 H C -1.250 174.036 175.328 -0.069 0.000 1.068 703 H CA -0.863 55.158 56.048 -0.045 0.000 1.426 703 H CB 1.413 31.256 29.762 0.133 0.000 1.410 703 H HN -0.012 nan 8.280 nan 0.000 0.597 704 P HA -0.166 nan 4.420 nan 0.000 0.223 704 P C 1.425 178.775 177.300 0.083 0.000 1.144 704 P CA 0.936 63.968 63.100 -0.113 0.000 0.783 704 P CB -0.126 31.469 31.700 -0.175 0.000 0.771 705 W N 0.914 122.293 121.300 0.132 0.000 2.467 705 W HA 0.025 4.685 4.660 -0.000 0.000 0.275 705 W C 1.683 178.044 176.519 -0.263 0.000 1.239 705 W CA 0.951 58.220 57.345 -0.126 0.000 1.266 705 W CB -0.562 28.662 29.460 -0.393 0.000 1.112 705 W HN -0.202 nan 8.180 nan 0.000 0.576 706 L N 0.819 121.895 121.223 -0.245 0.000 2.628 706 L HA 0.099 4.439 4.340 -0.000 0.000 0.229 706 L C 1.904 178.647 176.870 -0.213 0.000 1.137 706 L CA 0.136 54.787 54.840 -0.316 0.000 0.909 706 L CB -0.486 41.448 42.059 -0.208 0.000 1.137 706 L HN -0.250 nan 8.230 nan 0.000 0.470 707 K N 1.275 121.574 120.400 -0.169 0.000 2.217 707 K HA -0.129 4.191 4.320 -0.000 0.000 0.202 707 K C 1.330 177.844 176.600 -0.143 0.000 1.051 707 K CA 1.184 57.394 56.287 -0.127 0.000 0.952 707 K CB 0.079 32.523 32.500 -0.093 0.000 0.736 707 K HN 0.335 nan 8.250 nan 0.000 0.453 708 D N -0.998 119.285 120.400 -0.196 0.000 2.424 708 D HA 0.010 4.650 4.640 -0.000 0.000 0.220 708 D C -0.676 175.495 176.300 -0.215 0.000 1.150 708 D CA -0.185 53.706 54.000 -0.182 0.000 0.831 708 D CB -0.354 40.343 40.800 -0.172 0.000 0.981 708 D HN -0.151 nan 8.370 nan 0.000 0.500 709 T N 1.858 116.272 114.554 -0.234 0.000 2.867 709 T HA 0.098 4.447 4.350 -0.000 0.000 0.297 709 T C 0.903 175.507 174.700 -0.161 0.000 0.989 709 T CA -0.271 61.691 62.100 -0.231 0.000 1.159 709 T CB 0.692 69.431 68.868 -0.215 0.000 0.928 709 T HN 0.149 nan 8.240 nan 0.000 0.538 710 L N 3.083 124.212 121.223 -0.157 0.000 2.540 710 L HA 0.240 4.579 4.340 -0.000 0.000 0.276 710 L C 1.727 178.551 176.870 -0.077 0.000 1.212 710 L CA 0.390 55.162 54.840 -0.113 0.000 0.893 710 L CB -0.206 41.782 42.059 -0.118 0.000 1.138 710 L HN 1.063 nan 8.230 nan 0.000 0.491 711 G N 3.423 112.188 108.800 -0.058 0.000 2.189 711 G HA2 -0.341 3.618 3.960 -0.000 0.000 0.267 711 G HA3 -0.341 3.618 3.960 -0.000 0.000 0.267 711 G C 0.540 175.419 174.900 -0.036 0.000 0.975 711 G CA 0.775 45.853 45.100 -0.035 0.000 0.644 711 G HN 0.645 nan 8.290 nan 0.000 0.537 712 M N -0.867 118.698 119.600 -0.058 0.000 2.449 712 M HA 0.283 4.763 4.480 -0.000 0.000 0.410 712 M C 1.319 177.578 176.300 -0.069 0.000 1.079 712 M CA 0.119 55.385 55.300 -0.057 0.000 0.922 712 M CB 0.715 33.275 32.600 -0.065 0.000 1.676 712 M HN 0.044 nan 8.290 nan 0.000 0.572 713 E N 1.970 122.125 120.200 -0.075 0.000 2.110 713 E HA -0.242 4.107 4.350 -0.000 0.000 0.225 713 E C 1.132 177.693 176.600 -0.065 0.000 1.063 713 E CA 1.941 58.293 56.400 -0.079 0.000 0.906 713 E CB -0.128 29.530 29.700 -0.071 0.000 0.795 713 E HN 0.342 nan 8.360 nan 0.000 0.479 714 E N -0.201 119.970 120.200 -0.049 0.000 2.463 714 E HA 0.143 4.493 4.350 -0.000 0.000 0.191 714 E C -0.212 176.368 176.600 -0.034 0.000 1.083 714 E CA 0.007 56.383 56.400 -0.040 0.000 0.872 714 E CB -0.075 29.606 29.700 -0.032 0.000 0.966 714 E HN 0.294 nan 8.360 nan 0.000 0.491 715 I N 2.120 122.668 120.570 -0.037 0.000 2.441 715 I HA 0.226 4.395 4.170 -0.000 0.000 0.287 715 I C 0.591 176.691 176.117 -0.028 0.000 1.049 715 I CA -0.145 61.138 61.300 -0.028 0.000 1.381 715 I CB 0.588 38.571 38.000 -0.028 0.000 1.409 715 I HN 0.030 nan 8.210 nan 0.000 0.523 716 R N 3.732 124.221 120.500 -0.018 0.000 2.781 716 R HA 0.755 5.094 4.340 -0.000 0.000 0.268 716 R C -1.978 174.320 176.300 -0.004 0.000 1.047 716 R CA -0.970 55.121 56.100 -0.014 0.000 0.925 716 R CB 1.405 31.693 30.300 -0.020 0.000 1.246 716 R HN 0.179 nan 8.270 nan 0.000 0.456 717 V N 1.716 121.629 119.914 -0.001 0.000 2.325 717 V HA 0.290 4.410 4.120 -0.000 0.000 0.280 717 V C -1.997 174.096 176.094 -0.001 0.000 1.016 717 V CA -1.674 60.630 62.300 0.006 0.000 0.818 717 V CB 1.457 33.288 31.823 0.014 0.000 1.019 717 V HN 0.736 nan 8.190 nan 0.000 0.434 718 P HA -0.092 nan 4.420 nan 0.000 0.218 718 P C 0.725 178.022 177.300 -0.004 0.000 1.149 718 P CA 0.969 64.067 63.100 -0.004 0.000 0.817 718 P CB 0.152 31.851 31.700 -0.001 0.000 0.785 719 D N -1.665 118.734 120.400 -0.000 0.000 2.336 719 D HA 0.029 4.668 4.640 -0.000 0.000 0.228 719 D C 0.232 176.525 176.300 -0.012 0.000 1.120 719 D CA 0.084 54.082 54.000 -0.004 0.000 0.839 719 D CB -0.180 40.621 40.800 0.001 0.000 0.932 719 D HN -0.029 nan 8.370 nan 0.000 0.509 720 R N 0.983 121.475 120.500 -0.014 0.000 2.502 720 R HA 0.275 4.615 4.340 -0.000 0.000 0.298 720 R C -0.630 175.655 176.300 -0.025 0.000 1.018 720 R CA -0.475 55.611 56.100 -0.024 0.000 0.899 720 R CB 1.419 31.706 30.300 -0.021 0.000 1.181 720 R HN 0.273 nan 8.270 nan 0.000 0.444 721 E N 3.206 123.390 120.200 -0.026 0.000 2.316 721 E HA 0.067 4.417 4.350 -0.000 0.000 0.275 721 E C -0.409 176.174 176.600 -0.028 0.000 1.029 721 E CA -0.726 55.661 56.400 -0.020 0.000 0.871 721 E CB 0.861 30.558 29.700 -0.004 0.000 1.022 721 E HN 0.319 nan 8.360 nan 0.000 0.418 722 L N 6.428 127.610 121.223 -0.069 0.000 2.559 722 L HA -0.090 4.249 4.340 -0.000 0.000 0.274 722 L C -0.519 176.287 176.870 -0.106 0.000 1.205 722 L CA 1.001 55.727 54.840 -0.191 0.000 0.907 722 L CB -0.837 41.012 42.059 -0.350 0.000 1.153 722 L HN 0.902 nan 8.230 nan 0.000 0.490 723 Y N 1.153 121.490 120.300 0.062 0.000 4.884 723 Y HA -0.232 4.318 4.550 -0.000 0.000 0.276 723 Y C 1.369 177.277 175.900 0.013 0.000 0.915 723 Y CA 0.346 58.475 58.100 0.050 0.000 1.768 723 Y CB -1.854 36.632 38.460 0.042 0.000 1.172 723 Y HN 0.878 nan 8.280 nan 0.000 0.470 724 G N 1.215 110.081 108.800 0.110 0.000 2.559 724 G HA2 0.297 4.257 3.960 -0.000 0.000 0.235 724 G HA3 0.297 4.257 3.960 -0.000 0.000 0.235 724 G C 0.208 175.092 174.900 -0.026 0.000 1.266 724 G CA 0.538 45.653 45.100 0.026 0.000 0.847 724 G HN 0.235 nan 8.290 nan 0.000 0.583 725 S N -0.272 115.389 115.700 -0.065 0.000 2.603 725 S HA 0.465 4.935 4.470 -0.000 0.000 0.268 725 S C 1.517 175.889 174.600 -0.379 0.000 1.317 725 S CA 0.128 58.254 58.200 -0.123 0.000 1.012 725 S CB 1.074 64.232 63.200 -0.071 0.000 0.926 725 S HN 0.909 nan 8.310 nan 0.000 0.539 726 G N 0.766 109.064 108.800 -0.837 0.000 3.088 726 G HA2 0.023 3.983 3.960 -0.000 0.000 0.217 726 G HA3 0.023 3.983 3.960 -0.000 0.000 0.217 726 G C 1.110 175.202 174.900 -1.346 0.000 1.159 726 G CA 0.345 44.390 45.100 -1.758 0.000 0.760 726 G HN 0.864 nan 8.290 nan 0.000 0.550 727 S N 1.281 116.658 115.700 -0.538 0.000 2.641 727 S HA -0.093 4.376 4.470 -0.000 0.000 0.239 727 S C 1.375 176.037 174.600 0.102 0.000 0.972 727 S CA 1.145 59.436 58.200 0.151 0.000 0.954 727 S CB -0.143 63.211 63.200 0.257 0.000 0.767 727 S HN 0.552 nan 8.310 nan 0.000 0.539 728 D N 0.353 120.705 120.400 -0.079 0.000 2.407 728 D HA 0.150 4.790 4.640 -0.000 0.000 0.208 728 D C 0.299 176.571 176.300 -0.046 0.000 1.083 728 D CA -0.352 53.625 54.000 -0.038 0.000 0.844 728 D CB -0.083 40.678 40.800 -0.066 0.000 0.967 728 D HN 0.454 nan 8.370 nan 0.000 0.506 729 I N 2.218 122.750 120.570 -0.063 0.000 2.325 729 I HA 0.197 4.367 4.170 -0.000 0.000 0.291 729 I C -2.249 173.897 176.117 0.049 0.000 1.019 729 I CA -2.112 59.178 61.300 -0.016 0.000 1.302 729 I CB 1.219 39.224 38.000 0.009 0.000 1.401 729 I HN -0.407 nan 8.210 nan 0.000 0.485 730 P HA -0.075 nan 4.420 nan 0.000 0.261 730 P C 0.720 177.994 177.300 -0.044 0.000 1.165 730 P CA 0.757 63.789 63.100 -0.114 0.000 0.759 730 P CB 0.349 31.852 31.700 -0.328 0.000 0.772 731 G N 2.484 111.294 108.800 0.017 0.000 2.249 731 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.273 731 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.273 731 G C 0.895 175.796 174.900 0.001 0.000 1.036 731 G CA 0.162 45.288 45.100 0.044 0.000 0.824 731 G HN 0.639 nan 8.290 nan 0.000 0.504 732 W N -0.211 120.991 121.300 -0.162 0.000 2.358 732 W HA -0.008 4.652 4.660 -0.000 0.000 0.303 732 W C 1.710 178.284 176.519 0.091 0.000 1.208 732 W CA 1.895 59.225 57.345 -0.025 0.000 1.274 732 W CB -0.070 29.457 29.460 0.112 0.000 1.138 732 W HN 0.711 nan 8.180 nan 0.000 0.515 733 F N 0.428 120.367 119.950 -0.019 0.000 2.798 733 F HA 0.386 4.913 4.527 -0.000 0.000 0.328 733 F C -0.510 175.295 175.800 0.008 0.000 1.098 733 F CA -0.457 57.505 58.000 -0.062 0.000 1.172 733 F CB -0.589 38.426 39.000 0.025 0.000 1.072 733 F HN -0.151 nan 8.300 nan 0.000 0.555 734 E N -0.014 119.984 120.200 -0.336 0.000 2.401 734 E HA 0.193 4.543 4.350 -0.000 0.000 0.280 734 E C -1.474 174.955 176.600 -0.285 0.000 1.039 734 E CA -1.053 55.188 56.400 -0.265 0.000 0.814 734 E CB 1.310 30.883 29.700 -0.212 0.000 1.275 734 E HN 0.211 nan 8.360 nan 0.000 0.448 735 E N 1.524 121.472 120.200 -0.421 0.000 2.417 735 E HA 0.145 4.495 4.350 -0.000 0.000 0.261 735 E C -0.725 175.691 176.600 -0.307 0.000 1.000 735 E CA -0.383 55.674 56.400 -0.572 0.000 0.919 735 E CB 0.877 29.879 29.700 -1.163 0.000 0.955 735 E HN 0.345 nan 8.360 nan 0.000 0.455 736 V N 5.060 124.876 119.914 -0.163 0.000 2.583 736 V HA 0.222 4.342 4.120 -0.000 0.000 0.287 736 V C 0.228 176.237 176.094 -0.142 0.000 1.051 736 V CA -0.184 62.067 62.300 -0.083 0.000 1.010 736 V CB 1.274 33.173 31.823 0.126 0.000 0.988 736 V HN 0.616 nan 8.190 nan 0.000 0.478 737 R N 3.392 123.825 120.500 -0.112 0.000 2.310 737 R HA 0.569 4.909 4.340 -0.000 0.000 0.316 737 R C -1.033 175.220 176.300 -0.078 0.000 1.004 737 R CA -0.026 56.005 56.100 -0.116 0.000 0.900 737 R CB 0.263 30.495 30.300 -0.113 0.000 1.152 737 R HN 0.884 nan 8.270 nan 0.000 0.513 738 D N 0.000 120.350 120.400 -0.083 0.000 6.856 738 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 738 D CA 0.000 53.966 54.000 -0.057 0.000 0.868 738 D CB 0.000 40.788 40.800 -0.020 0.000 0.688 738 D HN 0.000 nan 8.370 nan 0.000 0.683