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 1odi_1_F DATA FIRST_RESID 2 DATA SEQUENCE SPIHVRAHPG DVAERVLLPG DPGRAEWIAK TFLQNPRRYN DHRGLWGYTG DATA SEQUENCE LYKGVPVSVQ TTGMGTPSAA IVVEELVRLG ARVLVRVGTA GAASSDLAPG DATA SEQUENCE ELIVAQGAVP LDGTTRQYLE GRPYAPVPDP EVFRALWRRA EALGYPHRVG DATA SEQUENCE LVASEDAFYA TTPEEARAWA RYGVLAFEME ASALFLLGRM RGVRTGAILA DATA SEQUENCE VSNRIGDPEL APPEVLQEGV RRMVEVALEA VLEV 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.556 174.600 -0.074 0.000 1.055 2 S CA 0.000 58.146 58.200 -0.090 0.000 1.107 2 S CB 0.000 63.097 63.200 -0.171 0.000 0.593 3 P HA 0.309 nan 4.420 nan 0.000 0.269 3 P C 1.032 178.294 177.300 -0.064 0.000 1.211 3 P CA -0.391 62.698 63.100 -0.018 0.000 0.781 3 P CB 0.325 32.043 31.700 0.030 0.000 0.877 4 I N 0.323 120.850 120.570 -0.070 0.000 2.286 4 I HA -0.275 3.895 4.170 -0.000 0.000 0.248 4 I C 1.466 177.340 176.117 -0.405 0.000 1.115 4 I CA 1.641 62.786 61.300 -0.259 0.000 1.392 4 I CB -0.343 37.459 38.000 -0.329 0.000 1.065 4 I HN 0.503 nan 8.210 nan 0.000 0.418 5 H N -1.061 118.046 119.070 0.063 0.000 2.393 5 H HA 0.203 4.759 4.556 -0.000 0.000 0.307 5 H C 0.502 175.938 175.328 0.180 0.000 1.038 5 H CA 0.145 56.292 56.048 0.165 0.000 1.351 5 H CB -0.003 29.834 29.762 0.126 0.000 1.464 5 H HN -0.089 nan 8.280 nan 0.000 0.575 6 V N 3.391 123.444 119.914 0.231 0.000 2.267 6 V HA 0.164 4.284 4.120 -0.000 0.000 0.254 6 V C 0.149 176.298 176.094 0.091 0.000 1.144 6 V CA -0.193 62.217 62.300 0.182 0.000 0.992 6 V CB 0.013 31.952 31.823 0.192 0.000 1.199 6 V HN 0.308 nan 8.190 nan 0.000 0.493 7 R N 3.275 123.791 120.500 0.028 0.000 3.688 7 R HA 0.455 4.795 4.340 -0.000 0.000 0.194 7 R C 0.526 176.765 176.300 -0.102 0.000 1.677 7 R CA 0.028 56.071 56.100 -0.096 0.000 1.351 7 R CB 0.165 30.355 30.300 -0.184 0.000 1.338 7 R HN 0.739 nan 8.270 nan 0.000 0.731 8 A N 1.419 124.198 122.820 -0.068 0.000 2.269 8 A HA 0.483 4.803 4.320 -0.000 0.000 0.327 8 A C -0.455 176.975 177.584 -0.257 0.000 1.112 8 A CA -0.627 51.376 52.037 -0.056 0.000 0.865 8 A CB 0.763 19.749 19.000 -0.023 0.000 1.227 8 A HN 0.458 nan 8.150 nan 0.000 0.498 9 H N 0.008 119.069 119.070 -0.015 0.000 2.651 9 H HA 0.448 5.004 4.556 -0.000 0.000 0.353 9 H C -2.329 172.968 175.328 -0.052 0.000 1.178 9 H CA -1.616 54.417 56.048 -0.025 0.000 1.224 9 H CB 1.369 31.123 29.762 -0.012 0.000 1.702 9 H HN 0.484 nan 8.280 nan 0.000 0.550 10 P HA -0.047 nan 4.420 nan 0.000 0.264 10 P C 0.784 178.090 177.300 0.011 0.000 1.183 10 P CA 1.162 64.281 63.100 0.032 0.000 0.763 10 P CB 0.525 32.246 31.700 0.035 0.000 0.807 11 G N 3.216 112.002 108.800 -0.024 0.000 2.225 11 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.254 11 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.254 11 G C 0.859 175.720 174.900 -0.064 0.000 0.988 11 G CA 0.444 45.525 45.100 -0.032 0.000 0.625 11 G HN 0.458 nan 8.290 nan 0.000 0.527 12 D N 0.211 120.547 120.400 -0.106 0.000 2.117 12 D HA 0.039 4.679 4.640 -0.000 0.000 0.198 12 D C 1.606 177.676 176.300 -0.384 0.000 0.982 12 D CA 1.291 55.166 54.000 -0.207 0.000 0.828 12 D CB -0.109 40.530 40.800 -0.270 0.000 0.967 12 D HN 0.388 nan 8.370 nan 0.000 0.464 13 V N 1.495 121.168 119.914 -0.403 0.000 2.461 13 V HA 0.416 4.536 4.120 -0.000 0.000 0.275 13 V C 0.644 176.660 176.094 -0.131 0.000 1.047 13 V CA -0.817 61.279 62.300 -0.341 0.000 0.955 13 V CB 1.081 32.741 31.823 -0.272 0.000 0.988 13 V HN 0.093 nan 8.190 nan 0.000 0.471 14 A N 3.620 126.404 122.820 -0.060 0.000 2.272 14 A HA 0.381 4.701 4.320 -0.000 0.000 0.275 14 A C 1.090 178.676 177.584 0.004 0.000 1.096 14 A CA -0.271 51.762 52.037 -0.005 0.000 0.822 14 A CB 0.238 19.259 19.000 0.035 0.000 1.088 14 A HN 0.915 nan 8.150 nan 0.000 0.495 15 E N -0.140 120.069 120.200 0.015 0.000 2.106 15 E HA -0.106 4.244 4.350 -0.000 0.000 0.192 15 E C 0.108 176.726 176.600 0.030 0.000 0.984 15 E CA 0.835 57.246 56.400 0.019 0.000 0.806 15 E CB 0.045 29.758 29.700 0.021 0.000 0.750 15 E HN 0.530 nan 8.360 nan 0.000 0.458 16 R N 0.725 121.248 120.500 0.038 0.000 2.294 16 R HA 0.400 4.740 4.340 -0.000 0.000 0.319 16 R C -0.987 175.342 176.300 0.049 0.000 0.984 16 R CA -0.382 55.744 56.100 0.043 0.000 0.861 16 R CB 1.999 32.328 30.300 0.047 0.000 1.104 16 R HN -0.147 nan 8.270 nan 0.000 0.451 17 V N 4.500 124.444 119.914 0.050 0.000 2.709 17 V HA 0.393 4.512 4.120 -0.000 0.000 0.308 17 V C -0.304 175.820 176.094 0.051 0.000 1.062 17 V CA -0.912 61.426 62.300 0.064 0.000 0.901 17 V CB 2.303 34.173 31.823 0.077 0.000 1.003 17 V HN 0.590 nan 8.190 nan 0.000 0.425 18 L N 4.861 126.114 121.223 0.050 0.000 2.295 18 L HA 0.578 4.918 4.340 -0.000 0.000 0.285 18 L C -0.795 176.108 176.870 0.055 0.000 1.035 18 L CA -0.522 54.334 54.840 0.027 0.000 0.806 18 L CB 1.608 43.658 42.059 -0.015 0.000 1.214 18 L HN 0.497 nan 8.230 nan 0.000 0.426 19 L N 5.827 127.074 121.223 0.042 0.000 2.435 19 L HA 0.372 4.711 4.340 -0.000 0.000 0.253 19 L C -2.251 174.638 176.870 0.030 0.000 1.087 19 L CA -1.561 53.307 54.840 0.046 0.000 0.950 19 L CB 1.102 43.182 42.059 0.034 0.000 1.304 19 L HN 0.329 nan 8.230 nan 0.000 0.453 20 P HA 0.141 nan 4.420 nan 0.000 0.282 20 P C 0.629 177.939 177.300 0.017 0.000 1.249 20 P CA -0.268 62.850 63.100 0.031 0.000 0.806 20 P CB 2.126 33.861 31.700 0.059 0.000 0.984 21 G N 1.740 110.536 108.800 -0.006 0.000 2.448 21 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.218 21 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.218 21 G C 0.253 175.129 174.900 -0.040 0.000 1.135 21 G CA 0.415 45.500 45.100 -0.025 0.000 0.784 21 G HN 0.558 nan 8.290 nan 0.000 0.543 22 D N -0.198 120.180 120.400 -0.037 0.000 2.233 22 D HA 0.311 4.950 4.640 -0.000 0.000 0.240 22 D C -0.944 175.325 176.300 -0.053 0.000 1.074 22 D CA -2.460 51.501 54.000 -0.065 0.000 0.838 22 D CB 2.219 42.980 40.800 -0.065 0.000 1.124 22 D HN -0.065 nan 8.370 nan 0.000 0.475 23 P HA -0.091 nan 4.420 nan 0.000 0.218 23 P C 1.314 178.592 177.300 -0.037 0.000 1.148 23 P CA 0.909 63.902 63.100 -0.177 0.000 0.822 23 P CB 0.170 31.466 31.700 -0.674 0.000 0.784 24 G N 0.456 109.204 108.800 -0.086 0.000 2.422 24 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.218 24 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.218 24 G C 1.904 176.889 174.900 0.142 0.000 1.146 24 G CA 0.744 45.866 45.100 0.038 0.000 0.769 24 G HN 0.278 nan 8.290 nan 0.000 0.547 25 R N 0.482 121.043 120.500 0.102 0.000 2.093 25 R HA 0.257 4.597 4.340 -0.000 0.000 0.224 25 R C 2.750 179.196 176.300 0.243 0.000 1.101 25 R CA 1.412 57.612 56.100 0.167 0.000 0.979 25 R CB -0.403 29.943 30.300 0.077 0.000 0.877 25 R HN 0.213 nan 8.270 nan 0.000 0.441 26 A N 0.895 123.837 122.820 0.202 0.000 1.877 26 A HA -0.222 4.098 4.320 -0.000 0.000 0.216 26 A C 2.079 179.716 177.584 0.088 0.000 1.186 26 A CA 1.706 53.873 52.037 0.217 0.000 0.620 26 A CB -0.687 18.515 19.000 0.337 0.000 0.822 26 A HN 0.617 nan 8.150 nan 0.000 0.443 27 E N -1.513 118.802 120.200 0.192 0.000 2.031 27 E HA -0.271 4.079 4.350 -0.000 0.000 0.193 27 E C 1.850 178.405 176.600 -0.075 0.000 0.994 27 E CA 1.555 57.912 56.400 -0.072 0.000 0.800 27 E CB -0.365 29.562 29.700 0.380 0.000 0.752 27 E HN 0.740 nan 8.360 nan 0.000 0.447 28 W N 1.384 122.671 121.300 -0.022 0.000 2.338 28 W HA -0.183 4.477 4.660 -0.000 0.000 0.304 28 W C 1.874 178.419 176.519 0.044 0.000 1.212 28 W CA 1.962 59.314 57.345 0.012 0.000 1.264 28 W CB -0.258 29.232 29.460 0.049 0.000 1.142 28 W HN 0.096 nan 8.180 nan 0.000 0.512 29 I N 0.553 121.168 120.570 0.074 0.000 2.226 29 I HA -0.304 3.866 4.170 -0.000 0.000 0.245 29 I C 2.619 178.666 176.117 -0.116 0.000 1.100 29 I CA 1.473 62.738 61.300 -0.058 0.000 1.374 29 I CB -1.205 36.810 38.000 0.025 0.000 1.057 29 I HN 0.094 nan 8.210 nan 0.000 0.413 30 A N 1.022 123.714 122.820 -0.213 0.000 1.902 30 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 30 A C 2.258 179.723 177.584 -0.199 0.000 1.181 30 A CA 1.621 53.519 52.037 -0.232 0.000 0.623 30 A CB -0.407 18.261 19.000 -0.553 0.000 0.818 30 A HN 0.351 nan 8.150 nan 0.000 0.443 31 K N -1.063 119.175 120.400 -0.270 0.000 2.418 31 K HA 0.035 4.355 4.320 -0.000 0.000 0.195 31 K C 1.446 177.883 176.600 -0.272 0.000 1.035 31 K CA 1.224 57.383 56.287 -0.215 0.000 1.003 31 K CB 0.038 32.431 32.500 -0.177 0.000 0.793 31 K HN 0.429 nan 8.250 nan 0.000 0.494 32 T N -0.295 114.012 114.554 -0.412 0.000 3.033 32 T HA 0.093 4.443 4.350 -0.000 0.000 0.248 32 T C 0.911 175.275 174.700 -0.561 0.000 1.040 32 T CA 0.622 62.354 62.100 -0.614 0.000 1.133 32 T CB 0.081 68.204 68.868 -1.242 0.000 0.895 32 T HN 0.052 nan 8.240 nan 0.000 0.465 33 F N 0.492 120.271 119.950 -0.286 0.000 2.727 33 F HA 0.484 5.011 4.527 -0.000 0.000 0.302 33 F C 0.567 176.389 175.800 0.036 0.000 1.107 33 F CA -0.373 57.568 58.000 -0.098 0.000 1.277 33 F CB 0.177 39.101 39.000 -0.127 0.000 1.079 33 F HN -0.033 nan 8.300 nan 0.000 0.594 34 L N 0.099 121.409 121.223 0.146 0.000 2.358 34 L HA 0.460 4.800 4.340 -0.000 0.000 0.268 34 L C -0.111 176.800 176.870 0.068 0.000 1.032 34 L CA -0.827 54.097 54.840 0.139 0.000 0.805 34 L CB 1.020 43.144 42.059 0.108 0.000 1.253 34 L HN -0.105 nan 8.230 nan 0.000 0.452 35 Q N 0.626 120.469 119.800 0.071 0.000 2.282 35 Q HA 0.245 4.585 4.340 -0.000 0.000 0.260 35 Q C -0.755 175.270 176.000 0.041 0.000 0.964 35 Q CA -0.519 55.306 55.803 0.036 0.000 0.880 35 Q CB 1.163 29.916 28.738 0.025 0.000 1.286 35 Q HN 0.581 nan 8.270 nan 0.000 0.445 36 N N 1.259 119.976 118.700 0.028 0.000 2.738 36 N HA -0.146 4.594 4.740 -0.000 0.000 0.249 36 N C -2.771 172.774 175.510 0.059 0.000 1.047 36 N CA 0.223 53.295 53.050 0.036 0.000 0.707 36 N CB -1.188 37.321 38.487 0.036 0.000 0.937 36 N HN 0.407 nan 8.380 nan 0.000 0.545 37 P HA -0.016 nan 4.420 nan 0.000 0.260 37 P C -0.101 177.281 177.300 0.136 0.000 1.185 37 P CA 0.477 63.634 63.100 0.095 0.000 0.763 37 P CB 0.537 32.255 31.700 0.031 0.000 0.776 38 R N 3.142 123.754 120.500 0.188 0.000 2.476 38 R HA 0.386 4.726 4.340 -0.000 0.000 0.305 38 R C -0.481 175.911 176.300 0.153 0.000 0.965 38 R CA -0.939 55.254 56.100 0.156 0.000 0.867 38 R CB 1.081 31.456 30.300 0.125 0.000 1.176 38 R HN 0.301 nan 8.270 nan 0.000 0.447 39 R N 4.018 124.520 120.500 0.003 0.000 2.242 39 R HA 0.064 4.404 4.340 -0.000 0.000 0.334 39 R C 0.025 176.180 176.300 -0.241 0.000 1.071 39 R CA -0.117 55.757 56.100 -0.377 0.000 0.922 39 R CB 0.383 30.340 30.300 -0.571 0.000 1.023 39 R HN 0.744 nan 8.270 nan 0.000 0.458 40 Y N 1.704 121.900 120.300 -0.173 0.000 2.478 40 Y HA 0.367 4.917 4.550 -0.000 0.000 0.261 40 Y C -0.282 175.566 175.900 -0.088 0.000 1.127 40 Y CA -0.745 57.306 58.100 -0.082 0.000 1.288 40 Y CB 0.253 38.698 38.460 -0.025 0.000 1.084 40 Y HN 0.482 nan 8.280 nan 0.000 0.530 41 N N 0.049 118.493 118.700 -0.425 0.000 2.405 41 N HA 0.234 4.974 4.740 -0.000 0.000 0.274 41 N C -1.146 174.230 175.510 -0.223 0.000 1.170 41 N CA -0.001 52.934 53.050 -0.190 0.000 0.848 41 N CB 1.598 40.071 38.487 -0.024 0.000 1.629 41 N HN 0.186 nan 8.380 nan 0.000 0.481 42 D N -0.560 119.824 120.400 -0.026 0.000 2.480 42 D HA -0.004 4.636 4.640 -0.000 0.000 0.276 42 D C -0.389 176.050 176.300 0.232 0.000 1.294 42 D CA -0.099 53.970 54.000 0.115 0.000 0.829 42 D CB -0.741 39.987 40.800 -0.121 0.000 1.242 42 D HN 0.593 nan 8.370 nan 0.000 0.513 43 H N 2.664 121.784 119.070 0.083 0.000 3.034 43 H HA 0.097 4.653 4.556 -0.000 0.000 0.324 43 H C 0.390 175.776 175.328 0.096 0.000 1.015 43 H CA 1.164 57.257 56.048 0.075 0.000 1.429 43 H CB 0.399 30.185 29.762 0.040 0.000 1.429 43 H HN 0.093 nan 8.280 nan 0.000 0.585 44 R N 2.602 122.856 120.500 -0.411 0.000 3.953 44 R HA -0.211 4.129 4.340 -0.000 0.000 0.340 44 R C 1.064 177.310 176.300 -0.090 0.000 1.195 44 R CA 0.852 56.795 56.100 -0.262 0.000 0.929 44 R CB -1.804 28.369 30.300 -0.211 0.000 1.402 44 R HN 1.091 nan 8.270 nan 0.000 0.540 45 G N 0.098 108.896 108.800 -0.004 0.000 2.155 45 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.257 45 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.257 45 G C 0.191 175.005 174.900 -0.144 0.000 0.983 45 G CA 0.455 45.501 45.100 -0.090 0.000 0.676 45 G HN 0.302 nan 8.290 nan 0.000 0.528 46 L N 0.700 121.955 121.223 0.054 0.000 2.480 46 L HA 0.279 4.619 4.340 -0.000 0.000 0.243 46 L C 0.486 177.465 176.870 0.181 0.000 1.315 46 L CA -1.052 53.831 54.840 0.071 0.000 1.231 46 L CB -0.342 41.772 42.059 0.092 0.000 1.444 46 L HN 0.110 nan 8.230 nan 0.000 0.409 47 W N 1.744 122.996 121.300 -0.079 0.000 2.347 47 W HA 0.335 4.995 4.660 -0.000 0.000 0.333 47 W C 0.870 177.218 176.519 -0.285 0.000 1.383 47 W CA -0.744 56.478 57.345 -0.206 0.000 1.283 47 W CB 0.301 29.730 29.460 -0.050 0.000 1.253 47 W HN 0.276 nan 8.180 nan 0.000 0.563 48 G N 3.295 111.782 108.800 -0.521 0.000 2.643 48 G HA2 0.663 4.623 3.960 -0.000 0.000 0.305 48 G HA3 0.663 4.623 3.960 -0.000 0.000 0.305 48 G C -2.111 172.028 174.900 -1.268 0.000 1.387 48 G CA -0.547 44.097 45.100 -0.759 0.000 0.982 48 G HN 0.266 nan 8.290 nan 0.000 0.501 49 Y N -0.049 120.095 120.300 -0.260 0.000 2.633 49 Y HA 0.797 5.347 4.550 -0.000 0.000 0.339 49 Y C 0.453 176.550 175.900 0.328 0.000 1.045 49 Y CA -0.920 57.178 58.100 -0.002 0.000 1.098 49 Y CB 2.812 41.283 38.460 0.018 0.000 1.296 49 Y HN 0.463 nan 8.280 nan 0.000 0.494 50 T N 0.595 115.416 114.554 0.445 0.000 3.032 50 T HA 0.693 5.043 4.350 -0.000 0.000 0.312 50 T C -0.302 174.525 174.700 0.211 0.000 1.078 50 T CA -0.717 61.569 62.100 0.309 0.000 1.028 50 T CB 1.636 70.655 68.868 0.252 0.000 1.091 50 T HN 1.026 nan 8.240 nan 0.000 0.457 51 G N 1.435 110.333 108.800 0.163 0.000 2.846 51 G HA2 0.755 4.715 3.960 -0.000 0.000 0.299 51 G HA3 0.755 4.715 3.960 -0.000 0.000 0.299 51 G C -1.970 173.000 174.900 0.117 0.000 1.242 51 G CA -0.743 44.433 45.100 0.127 0.000 0.800 51 G HN 0.678 nan 8.290 nan 0.000 0.538 52 L N 0.206 121.496 121.223 0.111 0.000 2.362 52 L HA 0.487 4.827 4.340 -0.000 0.000 0.275 52 L C -1.577 175.392 176.870 0.165 0.000 0.998 52 L CA -0.916 53.991 54.840 0.111 0.000 0.820 52 L CB 2.334 44.430 42.059 0.062 0.000 1.270 52 L HN 0.566 nan 8.230 nan 0.000 0.415 53 Y N 3.749 124.074 120.300 0.042 0.000 2.345 53 Y HA 0.269 4.819 4.550 -0.000 0.000 0.331 53 Y C 0.137 176.059 175.900 0.037 0.000 0.959 53 Y CA -1.249 56.880 58.100 0.048 0.000 1.204 53 Y CB 0.777 39.269 38.460 0.053 0.000 1.135 53 Y HN 0.549 nan 8.280 nan 0.000 0.477 54 K N 4.755 124.915 120.400 -0.399 0.000 3.148 54 K HA -0.238 4.082 4.320 -0.000 0.000 0.267 54 K C 0.928 177.454 176.600 -0.123 0.000 0.996 54 K CA 0.947 57.045 56.287 -0.315 0.000 0.737 54 K CB -1.581 30.649 32.500 -0.450 0.000 1.308 54 K HN 1.288 nan 8.250 nan 0.000 0.470 55 G N -1.644 107.120 108.800 -0.061 0.000 2.184 55 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.264 55 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.264 55 G C 0.165 175.073 174.900 0.012 0.000 0.975 55 G CA 0.224 45.312 45.100 -0.019 0.000 0.642 55 G HN 0.294 nan 8.290 nan 0.000 0.536 56 V N 1.420 121.357 119.914 0.038 0.000 2.483 56 V HA 0.535 4.655 4.120 -0.000 0.000 0.295 56 V C -2.019 174.129 176.094 0.090 0.000 1.035 56 V CA -1.907 60.432 62.300 0.065 0.000 0.896 56 V CB 2.064 33.938 31.823 0.086 0.000 0.986 56 V HN 0.041 nan 8.190 nan 0.000 0.447 57 P HA 0.260 nan 4.420 nan 0.000 0.271 57 P C -0.991 176.362 177.300 0.089 0.000 1.226 57 P CA 0.176 63.321 63.100 0.075 0.000 0.765 57 P CB 0.692 32.423 31.700 0.051 0.000 0.835 58 V N 3.433 123.411 119.914 0.107 0.000 2.760 58 V HA 0.409 4.529 4.120 -0.000 0.000 0.309 58 V C -0.068 176.099 176.094 0.122 0.000 1.077 58 V CA -0.373 61.988 62.300 0.102 0.000 0.910 58 V CB 2.430 34.314 31.823 0.103 0.000 1.008 58 V HN 0.386 nan 8.190 nan 0.000 0.424 59 S N 2.170 117.945 115.700 0.125 0.000 2.621 59 S HA 0.808 5.278 4.470 -0.000 0.000 0.302 59 S C -0.773 173.940 174.600 0.188 0.000 1.093 59 S CA -0.597 57.724 58.200 0.202 0.000 1.017 59 S CB 2.047 65.370 63.200 0.204 0.000 1.077 59 S HN 0.494 nan 8.310 nan 0.000 0.517 60 V N 2.916 122.988 119.914 0.263 0.000 2.439 60 V HA 0.389 4.509 4.120 -0.000 0.000 0.277 60 V C -0.746 175.511 176.094 0.271 0.000 1.008 60 V CA -0.623 61.806 62.300 0.215 0.000 0.846 60 V CB 1.190 33.121 31.823 0.180 0.000 1.031 60 V HN 0.755 nan 8.190 nan 0.000 0.441 61 Q N 2.745 122.675 119.800 0.217 0.000 2.290 61 Q HA 0.515 4.855 4.340 -0.000 0.000 0.259 61 Q C -0.037 176.049 176.000 0.143 0.000 0.941 61 Q CA 0.015 55.938 55.803 0.200 0.000 0.912 61 Q CB 1.743 30.612 28.738 0.219 0.000 1.244 61 Q HN 0.716 nan 8.270 nan 0.000 0.441 62 T N 2.899 117.533 114.554 0.135 0.000 2.919 62 T HA 0.193 4.543 4.350 -0.000 0.000 0.302 62 T C 0.987 175.716 174.700 0.049 0.000 1.031 62 T CA 0.583 62.733 62.100 0.083 0.000 1.127 62 T CB 0.738 69.641 68.868 0.057 0.000 0.952 62 T HN 0.822 nan 8.240 nan 0.000 0.540 63 T N -0.291 114.274 114.554 0.017 0.000 3.018 63 T HA 0.508 4.858 4.350 -0.000 0.000 0.246 63 T C 1.105 175.790 174.700 -0.025 0.000 1.026 63 T CA 0.455 62.556 62.100 0.001 0.000 1.081 63 T CB -0.171 68.692 68.868 -0.007 0.000 0.970 63 T HN 1.173 nan 8.240 nan 0.000 0.475 64 G N 1.523 110.298 108.800 -0.041 0.000 2.685 64 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.387 64 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.387 64 G C -0.726 174.141 174.900 -0.055 0.000 1.324 64 G CA -0.443 44.620 45.100 -0.061 0.000 0.878 64 G HN 0.593 nan 8.290 nan 0.000 0.527 65 M N 0.733 120.297 119.600 -0.060 0.000 2.404 65 M HA 0.608 5.088 4.480 -0.000 0.000 0.338 65 M C 0.627 176.903 176.300 -0.039 0.000 1.150 65 M CA 0.541 55.811 55.300 -0.051 0.000 1.016 65 M CB 1.619 34.180 32.600 -0.065 0.000 1.672 65 M HN 2.596 nan 8.290 nan 0.000 0.448 66 G N 0.817 109.601 108.800 -0.028 0.000 2.712 66 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.686 66 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.686 66 G C 0.266 175.151 174.900 -0.026 0.000 1.181 66 G CA -0.275 44.813 45.100 -0.020 0.000 0.762 66 G HN 0.912 nan 8.290 nan 0.000 0.641 67 T N -1.151 113.391 114.554 -0.020 0.000 2.915 67 T HA 0.022 4.372 4.350 -0.000 0.000 0.269 67 T C 0.054 174.754 174.700 0.000 0.000 1.071 67 T CA 1.957 64.048 62.100 -0.014 0.000 1.132 67 T CB -0.518 68.348 68.868 -0.004 0.000 0.878 67 T HN 0.390 nan 8.240 nan 0.000 0.479 68 P HA -0.022 nan 4.420 nan 0.000 0.216 68 P C 2.091 179.366 177.300 -0.042 0.000 1.153 68 P CA 0.995 64.082 63.100 -0.022 0.000 0.848 68 P CB -0.191 31.490 31.700 -0.032 0.000 0.787 69 S N -1.002 114.669 115.700 -0.049 0.000 2.357 69 S HA -0.102 4.368 4.470 -0.000 0.000 0.221 69 S C 1.981 176.549 174.600 -0.053 0.000 1.031 69 S CA 1.237 59.397 58.200 -0.068 0.000 0.982 69 S CB -1.059 62.106 63.200 -0.059 0.000 0.853 69 S HN 0.018 nan 8.310 nan 0.000 0.458 70 A N 1.501 124.300 122.820 -0.035 0.000 1.908 70 A HA 0.091 4.411 4.320 -0.000 0.000 0.218 70 A C 2.433 180.011 177.584 -0.010 0.000 1.181 70 A CA 2.000 54.022 52.037 -0.026 0.000 0.627 70 A CB -1.390 17.588 19.000 -0.037 0.000 0.818 70 A HN 0.725 nan 8.150 nan 0.000 0.445 71 A N -0.087 122.739 122.820 0.010 0.000 1.908 71 A HA -0.116 4.204 4.320 -0.000 0.000 0.218 71 A C 2.137 179.749 177.584 0.046 0.000 1.181 71 A CA 1.585 53.659 52.037 0.062 0.000 0.627 71 A CB -0.618 18.485 19.000 0.172 0.000 0.818 71 A HN 0.520 nan 8.150 nan 0.000 0.445 72 I N -0.570 119.990 120.570 -0.017 0.000 2.179 72 I HA -0.224 3.946 4.170 -0.000 0.000 0.242 72 I C 2.378 178.485 176.117 -0.017 0.000 1.088 72 I CA 1.267 62.524 61.300 -0.072 0.000 1.357 72 I CB -0.400 37.421 38.000 -0.298 0.000 1.051 72 I HN 0.163 nan 8.210 nan 0.000 0.409 73 V N 0.460 120.366 119.914 -0.013 0.000 2.295 73 V HA -0.242 3.878 4.120 -0.000 0.000 0.246 73 V C 2.441 178.563 176.094 0.046 0.000 1.049 73 V CA 1.589 63.909 62.300 0.034 0.000 1.024 73 V CB -0.406 31.437 31.823 0.032 0.000 0.648 73 V HN 0.231 nan 8.190 nan 0.000 0.447 74 V N -0.328 119.603 119.914 0.029 0.000 2.295 74 V HA -0.224 3.896 4.120 -0.000 0.000 0.246 74 V C 2.590 178.701 176.094 0.029 0.000 1.049 74 V CA 1.902 64.218 62.300 0.026 0.000 1.024 74 V CB -0.645 31.181 31.823 0.005 0.000 0.648 74 V HN 0.565 nan 8.190 nan 0.000 0.447 75 E N 0.198 120.419 120.200 0.036 0.000 2.049 75 E HA -0.272 4.078 4.350 -0.000 0.000 0.198 75 E C 2.206 178.836 176.600 0.050 0.000 1.007 75 E CA 1.726 58.153 56.400 0.046 0.000 0.809 75 E CB -0.269 29.477 29.700 0.078 0.000 0.749 75 E HN 0.708 nan 8.360 nan 0.000 0.450 76 E N 0.453 120.692 120.200 0.065 0.000 2.150 76 E HA -0.105 4.245 4.350 -0.000 0.000 0.193 76 E C 2.311 178.942 176.600 0.051 0.000 0.985 76 E CA 0.400 56.841 56.400 0.069 0.000 0.814 76 E CB -0.035 29.727 29.700 0.103 0.000 0.752 76 E HN 0.200 nan 8.360 nan 0.000 0.466 77 L N 0.267 121.521 121.223 0.052 0.000 2.072 77 L HA -0.141 4.199 4.340 -0.000 0.000 0.205 77 L C 2.410 179.294 176.870 0.022 0.000 1.079 77 L CA 0.597 55.461 54.840 0.041 0.000 0.752 77 L CB -0.242 41.850 42.059 0.055 0.000 0.906 77 L HN 0.062 nan 8.230 nan 0.000 0.436 78 V N -0.410 119.518 119.914 0.024 0.000 2.295 78 V HA -0.248 3.872 4.120 -0.000 0.000 0.246 78 V C 2.676 178.778 176.094 0.013 0.000 1.049 78 V CA 1.446 63.756 62.300 0.017 0.000 1.024 78 V CB -0.623 31.208 31.823 0.013 0.000 0.648 78 V HN 0.407 nan 8.190 nan 0.000 0.447 79 R N -0.138 120.373 120.500 0.018 0.000 2.200 79 R HA -0.069 4.271 4.340 -0.000 0.000 0.234 79 R C 1.854 178.158 176.300 0.007 0.000 1.127 79 R CA 1.348 57.457 56.100 0.016 0.000 0.989 79 R CB -0.706 29.608 30.300 0.024 0.000 0.869 79 R HN 0.489 nan 8.270 nan 0.000 0.459 80 L N -1.405 119.819 121.223 0.001 0.000 2.567 80 L HA 0.152 4.492 4.340 -0.000 0.000 0.225 80 L C 1.139 177.997 176.870 -0.020 0.000 1.119 80 L CA 0.658 55.488 54.840 -0.017 0.000 0.871 80 L CB 0.274 42.312 42.059 -0.036 0.000 1.036 80 L HN 0.418 nan 8.230 nan 0.000 0.459 81 G N -0.411 108.384 108.800 -0.008 0.000 2.192 81 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.193 81 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.193 81 G C 0.362 175.261 174.900 -0.003 0.000 0.999 81 G CA -0.202 44.894 45.100 -0.006 0.000 0.659 81 G HN 0.384 nan 8.290 nan 0.000 0.503 82 A N 0.087 122.908 122.820 0.001 0.000 2.520 82 A HA 0.695 5.015 4.320 -0.000 0.000 0.245 82 A C 1.175 178.770 177.584 0.018 0.000 1.072 82 A CA 1.338 53.381 52.037 0.011 0.000 0.761 82 A CB 0.377 19.389 19.000 0.021 0.000 1.004 82 A HN 0.566 nan 8.150 nan 0.000 0.499 83 R N 1.621 122.134 120.500 0.022 0.000 2.164 83 R HA 0.262 4.602 4.340 -0.000 0.000 0.198 83 R C -0.584 175.735 176.300 0.033 0.000 1.028 83 R CA 0.576 56.690 56.100 0.025 0.000 1.083 83 R CB 0.475 30.788 30.300 0.022 0.000 1.026 83 R HN 0.528 nan 8.270 nan 0.000 0.514 84 V N 2.858 122.794 119.914 0.037 0.000 2.378 84 V HA 0.386 4.506 4.120 -0.000 0.000 0.288 84 V C -1.320 174.804 176.094 0.049 0.000 1.016 84 V CA -0.757 61.569 62.300 0.045 0.000 0.840 84 V CB 1.601 33.450 31.823 0.042 0.000 0.994 84 V HN 0.080 nan 8.190 nan 0.000 0.431 85 L N 6.221 127.480 121.223 0.060 0.000 2.372 85 L HA 0.615 4.955 4.340 -0.000 0.000 0.273 85 L C -0.343 176.573 176.870 0.077 0.000 0.989 85 L CA -0.243 54.635 54.840 0.062 0.000 0.841 85 L CB 1.883 43.977 42.059 0.059 0.000 1.225 85 L HN 0.356 nan 8.230 nan 0.000 0.414 86 V N 3.208 123.159 119.914 0.062 0.000 2.384 86 V HA 0.484 4.604 4.120 -0.000 0.000 0.287 86 V C 0.264 176.386 176.094 0.047 0.000 1.020 86 V CA -0.730 61.612 62.300 0.069 0.000 0.850 86 V CB 1.771 33.623 31.823 0.049 0.000 0.987 86 V HN 0.730 nan 8.190 nan 0.000 0.436 87 R N 4.234 124.765 120.500 0.050 0.000 2.340 87 R HA 0.529 4.869 4.340 -0.000 0.000 0.300 87 R C -0.695 175.614 176.300 0.014 0.000 1.069 87 R CA -0.299 55.809 56.100 0.015 0.000 0.984 87 R CB 1.185 31.468 30.300 -0.028 0.000 1.003 87 R HN 0.613 nan 8.270 nan 0.000 0.459 88 V N 2.259 122.175 119.914 0.004 0.000 2.289 88 V HA 0.707 4.827 4.120 -0.000 0.000 0.272 88 V C 0.103 176.196 176.094 -0.003 0.000 1.026 88 V CA -0.373 61.926 62.300 -0.001 0.000 0.807 88 V CB 0.833 32.647 31.823 -0.014 0.000 1.044 88 V HN 0.876 nan 8.190 nan 0.000 0.443 89 G N 2.932 111.727 108.800 -0.007 0.000 3.211 89 G HA2 0.852 4.812 3.960 -0.000 0.000 0.262 89 G HA3 0.852 4.812 3.960 -0.000 0.000 0.262 89 G C -0.331 174.562 174.900 -0.011 0.000 1.352 89 G CA -0.076 45.016 45.100 -0.012 0.000 1.004 89 G HN 0.909 nan 8.290 nan 0.000 0.559 90 T N -3.079 111.469 114.554 -0.011 0.000 2.942 90 T HA 0.833 5.183 4.350 -0.000 0.000 0.289 90 T C -0.227 174.477 174.700 0.008 0.000 1.044 90 T CA -0.035 62.062 62.100 -0.004 0.000 1.023 90 T CB 1.870 70.734 68.868 -0.007 0.000 1.123 90 T HN 1.759 nan 8.240 nan 0.000 0.512 91 A N -0.125 122.704 122.820 0.014 0.000 2.593 91 A HA 0.897 5.217 4.320 -0.000 0.000 0.290 91 A C -0.204 177.399 177.584 0.032 0.000 1.126 91 A CA -0.692 51.359 52.037 0.024 0.000 0.695 91 A CB 1.216 20.222 19.000 0.010 0.000 1.290 91 A HN 1.420 nan 8.150 nan 0.000 0.414 92 G N 0.355 109.182 108.800 0.045 0.000 2.384 92 G HA2 0.676 4.636 3.960 -0.000 0.000 0.316 92 G HA3 0.676 4.636 3.960 -0.000 0.000 0.316 92 G C 0.220 175.170 174.900 0.084 0.000 1.160 92 G CA 0.351 45.469 45.100 0.031 0.000 0.936 92 G HN 1.590 nan 8.290 nan 0.000 0.455 93 A N 1.803 124.657 122.820 0.056 0.000 2.520 93 A HA 0.515 4.835 4.320 -0.000 0.000 0.235 93 A C 1.524 179.180 177.584 0.119 0.000 1.065 93 A CA 0.692 52.771 52.037 0.070 0.000 0.764 93 A CB 0.607 19.631 19.000 0.039 0.000 1.002 93 A HN 1.574 nan 8.150 nan 0.000 0.502 94 A N 1.790 124.703 122.820 0.156 0.000 1.973 94 A HA 0.422 4.742 4.320 -0.000 0.000 0.210 94 A C 1.299 178.964 177.584 0.135 0.000 1.200 94 A CA 1.211 53.386 52.037 0.230 0.000 0.707 94 A CB -0.141 19.056 19.000 0.328 0.000 0.862 94 A HN 0.728 nan 8.150 nan 0.000 0.461 95 S N -0.675 115.079 115.700 0.089 0.000 2.766 95 S HA 0.396 4.866 4.470 -0.000 0.000 0.307 95 S C 1.085 175.708 174.600 0.038 0.000 1.121 95 S CA 0.075 58.310 58.200 0.058 0.000 0.980 95 S CB 1.596 64.824 63.200 0.046 0.000 1.159 95 S HN 0.520 nan 8.310 nan 0.000 0.546 96 S N -0.148 115.568 115.700 0.026 0.000 2.593 96 S HA 0.010 4.480 4.470 -0.000 0.000 0.217 96 S C 0.817 175.425 174.600 0.015 0.000 0.966 96 S CA 0.359 58.570 58.200 0.018 0.000 0.914 96 S CB -0.253 62.954 63.200 0.013 0.000 0.776 96 S HN 0.646 nan 8.310 nan 0.000 0.523 97 D N 1.350 121.759 120.400 0.015 0.000 2.378 97 D HA 0.128 4.768 4.640 -0.000 0.000 0.227 97 D C -0.071 176.233 176.300 0.008 0.000 1.012 97 D CA 0.316 54.322 54.000 0.010 0.000 0.905 97 D CB -0.074 40.731 40.800 0.007 0.000 0.895 97 D HN 0.410 nan 8.370 nan 0.000 0.532 98 L N 0.586 121.817 121.223 0.013 0.000 2.349 98 L HA 0.605 4.945 4.340 -0.000 0.000 0.278 98 L C -0.266 176.611 176.870 0.012 0.000 0.996 98 L CA -0.896 53.951 54.840 0.011 0.000 0.825 98 L CB 1.957 44.024 42.059 0.014 0.000 1.243 98 L HN -0.187 nan 8.230 nan 0.000 0.412 99 A N 4.912 127.737 122.820 0.009 0.000 2.294 99 A HA 0.862 5.182 4.320 -0.000 0.000 0.330 99 A C -2.592 174.996 177.584 0.006 0.000 1.133 99 A CA -1.728 50.314 52.037 0.008 0.000 0.836 99 A CB 0.744 19.749 19.000 0.007 0.000 1.190 99 A HN 0.406 nan 8.150 nan 0.000 0.492 100 P HA 0.349 nan 4.420 nan 0.000 0.268 100 P C 0.904 178.201 177.300 -0.004 0.000 1.204 100 P CA 1.796 64.896 63.100 -0.000 0.000 0.768 100 P CB 0.890 32.589 31.700 -0.002 0.000 0.842 101 G N 1.557 110.352 108.800 -0.008 0.000 2.218 101 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.216 101 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.216 101 G C 0.193 175.089 174.900 -0.007 0.000 0.994 101 G CA -0.417 44.674 45.100 -0.015 0.000 0.637 101 G HN 0.537 nan 8.290 nan 0.000 0.505 102 E N 0.187 120.389 120.200 0.005 0.000 2.373 102 E HA 0.559 4.909 4.350 -0.000 0.000 0.263 102 E C 0.303 176.918 176.600 0.024 0.000 1.073 102 E CA -0.352 56.059 56.400 0.019 0.000 0.894 102 E CB 0.562 30.273 29.700 0.017 0.000 1.008 102 E HN 0.338 nan 8.360 nan 0.000 0.420 103 L N 4.028 125.282 121.223 0.051 0.000 2.309 103 L HA 0.483 4.823 4.340 -0.000 0.000 0.282 103 L C -0.251 176.657 176.870 0.064 0.000 1.036 103 L CA -0.577 54.300 54.840 0.060 0.000 0.806 103 L CB 1.026 43.140 42.059 0.092 0.000 1.220 103 L HN 0.403 nan 8.230 nan 0.000 0.429 104 I N 3.002 123.597 120.570 0.041 0.000 2.436 104 I HA 0.296 4.466 4.170 -0.000 0.000 0.289 104 I C -0.549 175.590 176.117 0.037 0.000 1.010 104 I CA -0.731 60.584 61.300 0.025 0.000 1.098 104 I CB 2.336 40.341 38.000 0.008 0.000 1.266 104 I HN 0.200 nan 8.210 nan 0.000 0.434 105 V N 6.217 126.144 119.914 0.021 0.000 2.334 105 V HA 0.348 4.468 4.120 -0.000 0.000 0.267 105 V C 0.707 176.876 176.094 0.124 0.000 1.040 105 V CA -0.639 61.688 62.300 0.044 0.000 0.866 105 V CB 1.195 32.977 31.823 -0.070 0.000 1.019 105 V HN 0.836 nan 8.190 nan 0.000 0.468 106 A N 4.126 127.056 122.820 0.183 0.000 2.505 106 A HA 0.122 4.442 4.320 -0.000 0.000 0.271 106 A C 1.201 178.885 177.584 0.167 0.000 1.112 106 A CA 0.149 52.304 52.037 0.197 0.000 0.781 106 A CB 0.114 19.294 19.000 0.300 0.000 1.059 106 A HN 0.950 nan 8.150 nan 0.000 0.508 107 Q N 2.625 122.420 119.800 -0.008 0.000 2.212 107 Q HA 0.237 4.577 4.340 -0.000 0.000 0.199 107 Q C 0.735 176.445 176.000 -0.482 0.000 0.950 107 Q CA 1.140 56.664 55.803 -0.465 0.000 0.863 107 Q CB 0.130 28.689 28.738 -0.298 0.000 0.944 107 Q HN 0.927 nan 8.270 nan 0.000 0.465 108 G N -0.784 107.902 108.800 -0.190 0.000 2.600 108 G HA2 0.621 4.581 3.960 -0.000 0.000 0.293 108 G HA3 0.621 4.581 3.960 -0.000 0.000 0.293 108 G C -1.987 172.986 174.900 0.121 0.000 1.408 108 G CA -0.284 44.746 45.100 -0.116 0.000 0.782 108 G HN 0.178 nan 8.290 nan 0.000 0.482 109 A N -0.127 122.791 122.820 0.164 0.000 2.446 109 A HA 0.643 4.963 4.320 -0.000 0.000 0.282 109 A C -0.441 177.126 177.584 -0.029 0.000 1.102 109 A CA -0.446 51.635 52.037 0.072 0.000 0.737 109 A CB 1.430 20.476 19.000 0.076 0.000 1.212 109 A HN 1.430 nan 8.150 nan 0.000 0.434 110 V N 4.885 124.713 119.914 -0.145 0.000 2.493 110 V HA 0.166 4.285 4.120 -0.000 0.000 0.292 110 V C -1.673 174.318 176.094 -0.172 0.000 1.016 110 V CA -0.362 61.822 62.300 -0.193 0.000 1.097 110 V CB 0.678 32.260 31.823 -0.401 0.000 0.947 110 V HN 0.760 nan 8.190 nan 0.000 0.479 111 P HA 0.204 nan 4.420 nan 0.000 0.247 111 P C 0.219 177.495 177.300 -0.040 0.000 1.756 111 P CA 0.041 63.124 63.100 -0.027 0.000 1.117 111 P CB 0.347 32.083 31.700 0.060 0.000 1.869 112 L N 1.509 122.680 121.223 -0.087 0.000 2.653 112 L HA 0.132 4.471 4.340 -0.000 0.000 0.231 112 L C 1.221 178.084 176.870 -0.011 0.000 1.153 112 L CA 0.001 54.810 54.840 -0.052 0.000 0.933 112 L CB -0.207 41.788 42.059 -0.107 0.000 1.175 112 L HN 0.298 nan 8.230 nan 0.000 0.473 113 D N -1.057 119.338 120.400 -0.010 0.000 2.385 113 D HA 0.149 4.789 4.640 -0.000 0.000 0.254 113 D C 0.946 177.255 176.300 0.015 0.000 1.053 113 D CA -0.288 53.714 54.000 0.002 0.000 0.992 113 D CB 2.002 42.800 40.800 -0.004 0.000 1.145 113 D HN -0.060 nan 8.370 nan 0.000 0.523 114 G N -0.765 108.042 108.800 0.011 0.000 2.662 114 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.212 114 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.212 114 G C 1.287 176.190 174.900 0.005 0.000 1.141 114 G CA 0.433 45.537 45.100 0.007 0.000 0.797 114 G HN 0.539 nan 8.290 nan 0.000 0.531 115 T N 1.586 116.151 114.554 0.018 0.000 2.674 115 T HA -0.164 4.186 4.350 -0.000 0.000 0.265 115 T C 2.903 177.685 174.700 0.138 0.000 1.039 115 T CA 2.244 64.370 62.100 0.044 0.000 1.150 115 T CB -0.672 68.243 68.868 0.080 0.000 0.864 115 T HN 0.521 nan 8.240 nan 0.000 0.427 116 T N 1.223 115.853 114.554 0.125 0.000 2.720 116 T HA -0.163 4.187 4.350 -0.000 0.000 0.268 116 T C 1.978 176.732 174.700 0.091 0.000 1.037 116 T CA 1.264 63.438 62.100 0.124 0.000 1.144 116 T CB -0.367 68.543 68.868 0.070 0.000 0.864 116 T HN 0.309 nan 8.240 nan 0.000 0.444 117 R N 0.902 121.435 120.500 0.056 0.000 2.083 117 R HA -0.155 4.185 4.340 -0.000 0.000 0.237 117 R C 2.782 179.093 176.300 0.018 0.000 1.137 117 R CA 1.847 57.967 56.100 0.034 0.000 0.951 117 R CB -0.391 29.923 30.300 0.024 0.000 0.851 117 R HN 0.606 nan 8.270 nan 0.000 0.434 118 Q N -0.770 119.025 119.800 -0.009 0.000 2.119 118 Q HA -0.188 4.152 4.340 -0.000 0.000 0.201 118 Q C 1.683 177.650 176.000 -0.055 0.000 0.972 118 Q CA 1.584 57.347 55.803 -0.066 0.000 0.847 118 Q CB -0.060 28.587 28.738 -0.151 0.000 0.903 118 Q HN 0.516 nan 8.270 nan 0.000 0.433 119 Y N -0.177 120.092 120.300 -0.051 0.000 2.293 119 Y HA -0.139 4.411 4.550 -0.000 0.000 0.291 119 Y C 1.779 177.627 175.900 -0.086 0.000 1.137 119 Y CA 0.714 58.775 58.100 -0.066 0.000 1.202 119 Y CB 0.313 38.724 38.460 -0.083 0.000 0.990 119 Y HN 0.112 nan 8.280 nan 0.000 0.537 120 L N -0.295 120.969 121.223 0.068 0.000 2.592 120 L HA 0.020 4.360 4.340 -0.000 0.000 0.227 120 L C 0.228 177.100 176.870 0.003 0.000 1.127 120 L CA 0.370 55.202 54.840 -0.014 0.000 0.884 120 L CB -0.131 41.893 42.059 -0.059 0.000 1.065 120 L HN 0.177 nan 8.230 nan 0.000 0.457 121 E N 0.100 120.305 120.200 0.009 0.000 2.360 121 E HA -0.287 4.063 4.350 -0.000 0.000 0.238 121 E C 1.161 177.766 176.600 0.008 0.000 1.186 121 E CA 0.234 56.636 56.400 0.003 0.000 0.719 121 E CB -1.554 28.148 29.700 0.003 0.000 1.236 121 E HN 0.682 nan 8.360 nan 0.000 0.386 122 G N -0.076 108.732 108.800 0.013 0.000 2.179 122 G HA2 -0.397 3.563 3.960 -0.000 0.000 0.260 122 G HA3 -0.397 3.563 3.960 -0.000 0.000 0.260 122 G C 0.357 175.275 174.900 0.030 0.000 0.977 122 G CA 0.549 45.661 45.100 0.021 0.000 0.641 122 G HN 0.324 nan 8.290 nan 0.000 0.533 123 R N 0.940 121.458 120.500 0.030 0.000 2.594 123 R HA 0.423 4.763 4.340 -0.000 0.000 0.272 123 R C -2.089 174.257 176.300 0.077 0.000 1.074 123 R CA -1.247 54.880 56.100 0.045 0.000 1.105 123 R CB 0.109 30.433 30.300 0.040 0.000 1.008 123 R HN 0.158 nan 8.270 nan 0.000 0.472 124 P HA 0.057 nan 4.420 nan 0.000 0.272 124 P C -1.440 175.987 177.300 0.211 0.000 1.240 124 P CA 0.061 63.227 63.100 0.110 0.000 0.791 124 P CB 0.381 32.124 31.700 0.072 0.000 0.978 125 Y N -0.588 119.716 120.300 0.008 0.000 2.687 125 Y HA 0.496 5.045 4.550 -0.000 0.000 0.338 125 Y C -1.736 174.163 175.900 -0.001 0.000 1.189 125 Y CA -1.039 57.063 58.100 0.005 0.000 1.097 125 Y CB 0.914 39.381 38.460 0.011 0.000 1.342 125 Y HN 0.423 nan 8.280 nan 0.000 0.461 126 A N 5.328 127.708 122.820 -0.733 0.000 2.536 126 A HA 0.671 4.991 4.320 -0.000 0.000 0.329 126 A C -3.019 174.179 177.584 -0.644 0.000 1.321 126 A CA -1.717 50.021 52.037 -0.499 0.000 0.804 126 A CB -0.006 18.772 19.000 -0.370 0.000 1.126 126 A HN 0.354 nan 8.150 nan 0.000 0.480 127 P HA 0.324 nan 4.420 nan 0.000 0.276 127 P C -0.208 177.080 177.300 -0.020 0.000 1.253 127 P CA 0.125 63.274 63.100 0.082 0.000 0.766 127 P CB 1.057 32.963 31.700 0.344 0.000 0.845 128 V N 2.009 121.764 119.914 -0.264 0.000 3.102 128 V HA 0.809 4.929 4.120 -0.000 0.000 0.312 128 V C -2.575 172.882 176.094 -1.062 0.000 1.135 128 V CA -2.949 58.946 62.300 -0.676 0.000 1.022 128 V CB 2.300 33.835 31.823 -0.480 0.000 1.056 128 V HN 0.269 nan 8.190 nan 0.000 0.436 129 P HA 0.247 nan 4.420 nan 0.000 0.282 129 P C -0.948 176.161 177.300 -0.319 0.000 1.287 129 P CA -0.062 62.529 63.100 -0.848 0.000 0.792 129 P CB 0.706 32.073 31.700 -0.555 0.000 1.163 130 D N 0.213 120.551 120.400 -0.104 0.000 2.425 130 D HA 0.036 4.676 4.640 -0.000 0.000 0.247 130 D C -1.084 175.228 176.300 0.020 0.000 1.147 130 D CA -1.612 52.372 54.000 -0.026 0.000 0.879 130 D CB 0.427 41.243 40.800 0.026 0.000 1.179 130 D HN 0.116 nan 8.370 nan 0.000 0.456 131 P HA -0.235 nan 4.420 nan 0.000 0.216 131 P C 0.792 178.189 177.300 0.162 0.000 1.157 131 P CA 1.320 64.481 63.100 0.102 0.000 0.880 131 P CB 0.201 31.934 31.700 0.054 0.000 0.791 132 E N -0.306 119.951 120.200 0.095 0.000 2.077 132 E HA -0.082 4.268 4.350 -0.000 0.000 0.193 132 E C 2.257 178.909 176.600 0.085 0.000 0.989 132 E CA 0.875 57.321 56.400 0.077 0.000 0.800 132 E CB -0.873 28.855 29.700 0.047 0.000 0.746 132 E HN 0.143 nan 8.360 nan 0.000 0.452 133 V N 1.369 121.340 119.914 0.096 0.000 2.427 133 V HA -0.221 3.899 4.120 -0.000 0.000 0.248 133 V C 2.125 178.300 176.094 0.135 0.000 1.051 133 V CA 1.561 63.920 62.300 0.098 0.000 1.048 133 V CB -0.600 31.282 31.823 0.098 0.000 0.666 133 V HN 0.144 nan 8.190 nan 0.000 0.456 134 F N 1.446 121.412 119.950 0.027 0.000 2.102 134 F HA -0.166 4.361 4.527 -0.000 0.000 0.298 134 F C 2.587 178.472 175.800 0.142 0.000 1.105 134 F CA 2.174 60.204 58.000 0.050 0.000 1.239 134 F CB -0.428 38.572 39.000 0.001 0.000 0.991 134 F HN -0.055 nan 8.300 nan 0.000 0.474 135 R N 0.292 120.800 120.500 0.012 0.000 2.073 135 R HA -0.151 4.189 4.340 -0.000 0.000 0.234 135 R C 2.396 178.663 176.300 -0.056 0.000 1.134 135 R CA 1.438 57.505 56.100 -0.055 0.000 0.952 135 R CB -0.713 29.603 30.300 0.026 0.000 0.850 135 R HN 0.396 nan 8.270 nan 0.000 0.433 136 A N 1.115 123.926 122.820 -0.015 0.000 1.877 136 A HA -0.159 4.161 4.320 -0.000 0.000 0.216 136 A C 2.217 179.794 177.584 -0.012 0.000 1.186 136 A CA 1.361 53.392 52.037 -0.011 0.000 0.620 136 A CB -0.681 18.326 19.000 0.011 0.000 0.822 136 A HN 0.348 nan 8.150 nan 0.000 0.443 137 L N -2.131 119.087 121.223 -0.008 0.000 2.013 137 L HA -0.251 4.089 4.340 -0.000 0.000 0.212 137 L C 2.655 179.528 176.870 0.004 0.000 1.073 137 L CA 1.815 56.651 54.840 -0.007 0.000 0.753 137 L CB -0.561 41.500 42.059 0.003 0.000 0.890 137 L HN 0.745 nan 8.230 nan 0.000 0.432 138 W N 1.318 122.458 121.300 -0.268 0.000 2.354 138 W HA -0.202 4.458 4.660 -0.000 0.000 0.315 138 W C 2.864 179.269 176.519 -0.190 0.000 1.206 138 W CA 1.695 58.891 57.345 -0.250 0.000 1.290 138 W CB -0.611 28.628 29.460 -0.367 0.000 1.152 138 W HN 0.094 nan 8.180 nan 0.000 0.489 139 R N 0.171 120.675 120.500 0.007 0.000 2.091 139 R HA -0.195 4.145 4.340 -0.000 0.000 0.238 139 R C 2.244 178.500 176.300 -0.073 0.000 1.136 139 R CA 1.672 57.713 56.100 -0.098 0.000 0.959 139 R CB -0.230 30.003 30.300 -0.112 0.000 0.856 139 R HN -0.088 nan 8.270 nan 0.000 0.437 140 R N 0.140 120.605 120.500 -0.058 0.000 2.090 140 R HA 0.027 4.367 4.340 -0.000 0.000 0.228 140 R C 2.134 178.355 176.300 -0.132 0.000 1.110 140 R CA 1.281 57.336 56.100 -0.075 0.000 0.973 140 R CB -1.025 29.250 30.300 -0.042 0.000 0.869 140 R HN 0.326 nan 8.270 nan 0.000 0.440 141 A N 1.453 124.173 122.820 -0.167 0.000 1.908 141 A HA -0.193 4.127 4.320 -0.000 0.000 0.218 141 A C 2.044 179.449 177.584 -0.298 0.000 1.181 141 A CA 1.606 53.453 52.037 -0.315 0.000 0.627 141 A CB -0.338 18.248 19.000 -0.690 0.000 0.818 141 A HN 0.388 nan 8.150 nan 0.000 0.445 142 E N -0.429 119.671 120.200 -0.166 0.000 2.047 142 E HA -0.054 4.296 4.350 -0.000 0.000 0.191 142 E C 2.294 178.854 176.600 -0.066 0.000 0.987 142 E CA 0.857 57.253 56.400 -0.005 0.000 0.799 142 E CB -0.285 29.446 29.700 0.052 0.000 0.752 142 E HN 0.603 nan 8.360 nan 0.000 0.449 143 A N 0.932 123.691 122.820 -0.102 0.000 2.019 143 A HA -0.108 4.212 4.320 -0.000 0.000 0.219 143 A C 1.977 179.462 177.584 -0.165 0.000 1.164 143 A CA 0.955 52.928 52.037 -0.107 0.000 0.644 143 A CB -0.337 18.609 19.000 -0.090 0.000 0.805 143 A HN 0.141 nan 8.150 nan 0.000 0.449 144 L N -1.343 119.705 121.223 -0.291 0.000 2.607 144 L HA 0.231 4.571 4.340 -0.000 0.000 0.228 144 L C 1.568 178.078 176.870 -0.601 0.000 1.123 144 L CA 0.401 54.920 54.840 -0.535 0.000 0.890 144 L CB -0.125 41.399 42.059 -0.892 0.000 1.103 144 L HN 0.525 nan 8.230 nan 0.000 0.468 145 G N -0.206 108.432 108.800 -0.270 0.000 2.179 145 G HA2 -0.326 3.633 3.960 -0.000 0.000 0.257 145 G HA3 -0.326 3.633 3.960 -0.000 0.000 0.257 145 G C 0.034 175.010 174.900 0.127 0.000 1.010 145 G CA -0.119 44.948 45.100 -0.055 0.000 0.736 145 G HN 0.444 nan 8.290 nan 0.000 0.513 146 Y N 0.041 120.380 120.300 0.066 0.000 2.350 146 Y HA 0.386 4.936 4.550 -0.000 0.000 0.340 146 Y C -1.716 174.305 175.900 0.201 0.000 1.006 146 Y CA -2.622 55.530 58.100 0.087 0.000 1.166 146 Y CB 1.285 39.769 38.460 0.041 0.000 1.168 146 Y HN 0.013 nan 8.280 nan 0.000 0.502 147 P HA -0.008 nan 4.420 nan 0.000 0.266 147 P C -0.890 176.624 177.300 0.357 0.000 1.195 147 P CA 0.689 63.970 63.100 0.302 0.000 0.768 147 P CB 0.452 32.243 31.700 0.153 0.000 0.838 148 H N 0.742 119.855 119.070 0.071 0.000 2.948 148 H HA 0.577 5.133 4.556 -0.000 0.000 0.315 148 H C -0.912 174.408 175.328 -0.013 0.000 1.360 148 H CA -1.024 55.042 56.048 0.031 0.000 1.125 148 H CB 1.079 30.862 29.762 0.036 0.000 1.844 148 H HN 0.199 nan 8.280 nan 0.000 0.529 149 R N 0.606 121.072 120.500 -0.057 0.000 2.686 149 R HA 0.573 4.913 4.340 -0.000 0.000 0.286 149 R C -1.066 175.134 176.300 -0.166 0.000 0.969 149 R CA -1.112 54.902 56.100 -0.143 0.000 0.898 149 R CB 2.847 33.103 30.300 -0.073 0.000 1.183 149 R HN 0.404 nan 8.270 nan 0.000 0.456 150 V N 1.669 121.421 119.914 -0.271 0.000 2.378 150 V HA 0.806 4.926 4.120 -0.000 0.000 0.288 150 V C 0.426 176.411 176.094 -0.182 0.000 1.016 150 V CA -0.283 61.814 62.300 -0.339 0.000 0.840 150 V CB 1.395 32.700 31.823 -0.863 0.000 0.994 150 V HN 1.036 nan 8.190 nan 0.000 0.431 151 G N 3.812 112.558 108.800 -0.089 0.000 2.364 151 G HA2 0.450 4.410 3.960 -0.000 0.000 0.286 151 G HA3 0.450 4.410 3.960 -0.000 0.000 0.286 151 G C -1.623 173.245 174.900 -0.053 0.000 1.241 151 G CA -0.891 44.169 45.100 -0.066 0.000 0.887 151 G HN 0.507 nan 8.290 nan 0.000 0.484 152 L N 0.456 121.644 121.223 -0.059 0.000 2.399 152 L HA 0.697 5.037 4.340 -0.000 0.000 0.266 152 L C 0.583 177.390 176.870 -0.105 0.000 1.114 152 L CA -0.862 53.934 54.840 -0.072 0.000 0.804 152 L CB 1.476 43.492 42.059 -0.071 0.000 1.146 152 L HN 0.639 nan 8.230 nan 0.000 0.451 153 V N -0.800 119.035 119.914 -0.131 0.000 3.141 153 V HA 0.957 5.077 4.120 -0.000 0.000 0.312 153 V C -0.637 175.261 176.094 -0.326 0.000 1.157 153 V CA -0.834 61.337 62.300 -0.215 0.000 1.041 153 V CB 1.796 33.539 31.823 -0.132 0.000 1.071 153 V HN 0.799 nan 8.190 nan 0.000 0.441 154 A N 0.984 123.501 122.820 -0.506 0.000 2.343 154 A HA 0.821 5.141 4.320 -0.000 0.000 0.316 154 A C -0.138 177.253 177.584 -0.323 0.000 1.104 154 A CA -0.482 51.215 52.037 -0.567 0.000 0.768 154 A CB 1.427 19.773 19.000 -1.088 0.000 1.213 154 A HN 0.999 nan 8.150 nan 0.000 0.456 155 S N 1.975 117.542 115.700 -0.222 0.000 2.422 155 S HA 0.447 4.917 4.470 -0.000 0.000 0.298 155 S C -0.011 174.540 174.600 -0.082 0.000 1.118 155 S CA -0.506 57.618 58.200 -0.128 0.000 1.083 155 S CB 0.450 63.575 63.200 -0.126 0.000 0.971 155 S HN 0.798 nan 8.310 nan 0.000 0.478 156 E N 2.194 122.381 120.200 -0.021 0.000 2.355 156 E HA 0.517 4.867 4.350 -0.000 0.000 0.261 156 E C -0.797 175.807 176.600 0.007 0.000 0.943 156 E CA -0.876 55.525 56.400 0.002 0.000 0.806 156 E CB 0.961 30.687 29.700 0.043 0.000 1.286 156 E HN 0.204 nan 8.360 nan 0.000 0.424 157 D N 0.047 120.455 120.400 0.013 0.000 2.490 157 D HA 0.147 4.787 4.640 -0.000 0.000 0.244 157 D C 0.076 176.401 176.300 0.040 0.000 0.979 157 D CA 0.677 54.690 54.000 0.022 0.000 0.924 157 D CB 0.249 41.060 40.800 0.019 0.000 1.075 157 D HN 0.505 nan 8.370 nan 0.000 0.488 158 A N 0.745 123.587 122.820 0.036 0.000 2.391 158 A HA 0.236 4.556 4.320 -0.000 0.000 0.316 158 A C 0.545 178.152 177.584 0.037 0.000 1.381 158 A CA -0.455 51.618 52.037 0.060 0.000 0.998 158 A CB -0.516 18.516 19.000 0.053 0.000 1.147 158 A HN 0.136 nan 8.150 nan 0.000 0.545 159 F N 2.654 122.536 119.950 -0.113 0.000 2.134 159 F HA -0.185 4.342 4.527 -0.000 0.000 0.299 159 F C 1.084 176.675 175.800 -0.348 0.000 1.097 159 F CA 1.884 59.722 58.000 -0.270 0.000 1.264 159 F CB -0.024 38.737 39.000 -0.398 0.000 1.001 159 F HN 0.686 nan 8.300 nan 0.000 0.479 160 Y N -0.522 119.916 120.300 0.230 0.000 2.470 160 Y HA 0.306 4.856 4.550 -0.000 0.000 0.284 160 Y C 1.705 177.606 175.900 0.002 0.000 1.188 160 Y CA 0.021 58.193 58.100 0.120 0.000 1.269 160 Y CB -0.231 38.328 38.460 0.164 0.000 1.094 160 Y HN 0.172 nan 8.280 nan 0.000 0.518 161 A N -0.913 121.938 122.820 0.052 0.000 1.963 161 A HA 0.065 4.385 4.320 -0.000 0.000 0.207 161 A C 1.235 178.788 177.584 -0.053 0.000 1.243 161 A CA 0.244 52.293 52.037 0.019 0.000 0.728 161 A CB -0.472 18.543 19.000 0.023 0.000 0.895 161 A HN 0.128 nan 8.150 nan 0.000 0.467 162 T N 2.648 117.110 114.554 -0.154 0.000 2.871 162 T HA 0.350 4.700 4.350 -0.000 0.000 0.296 162 T C 0.524 175.100 174.700 -0.208 0.000 0.998 162 T CA 0.813 62.774 62.100 -0.231 0.000 1.162 162 T CB 0.154 68.727 68.868 -0.493 0.000 0.947 162 T HN 0.603 nan 8.240 nan 0.000 0.536 163 T N 1.706 116.183 114.554 -0.127 0.000 2.934 163 T HA 0.385 4.735 4.350 -0.000 0.000 0.283 163 T C -1.947 172.698 174.700 -0.093 0.000 1.005 163 T CA -2.280 59.768 62.100 -0.088 0.000 1.041 163 T CB 1.416 70.263 68.868 -0.036 0.000 1.042 163 T HN 0.088 nan 8.240 nan 0.000 0.505 164 P HA -0.070 nan 4.420 nan 0.000 0.218 164 P C 1.398 178.695 177.300 -0.005 0.000 1.148 164 P CA 0.888 63.963 63.100 -0.042 0.000 0.822 164 P CB 0.144 31.828 31.700 -0.027 0.000 0.784 165 E N 0.161 120.359 120.200 -0.003 0.000 2.072 165 E HA -0.214 4.136 4.350 -0.000 0.000 0.191 165 E C 1.726 178.347 176.600 0.036 0.000 0.985 165 E CA 1.109 57.517 56.400 0.012 0.000 0.801 165 E CB -0.166 29.536 29.700 0.003 0.000 0.750 165 E HN 0.300 nan 8.360 nan 0.000 0.452 166 E N 0.351 120.576 120.200 0.043 0.000 2.077 166 E HA -0.181 4.169 4.350 -0.000 0.000 0.193 166 E C 2.110 178.860 176.600 0.250 0.000 0.989 166 E CA 0.848 57.314 56.400 0.110 0.000 0.800 166 E CB -0.173 29.593 29.700 0.111 0.000 0.746 166 E HN 0.326 nan 8.360 nan 0.000 0.452 167 A N 1.823 124.742 122.820 0.165 0.000 1.883 167 A HA -0.231 4.089 4.320 -0.000 0.000 0.217 167 A C 2.111 179.902 177.584 0.345 0.000 1.186 167 A CA 1.505 53.727 52.037 0.309 0.000 0.624 167 A CB -0.475 18.567 19.000 0.069 0.000 0.822 167 A HN 0.085 nan 8.150 nan 0.000 0.444 168 R N -0.708 119.898 120.500 0.177 0.000 2.120 168 R HA -0.056 4.283 4.340 -0.000 0.000 0.234 168 R C 2.485 178.852 176.300 0.112 0.000 1.123 168 R CA 1.033 57.208 56.100 0.124 0.000 0.975 168 R CB -0.455 29.879 30.300 0.058 0.000 0.866 168 R HN 0.544 nan 8.270 nan 0.000 0.446 169 A N 0.575 123.456 122.820 0.101 0.000 1.858 169 A HA -0.188 4.132 4.320 -0.000 0.000 0.216 169 A C 1.770 179.404 177.584 0.084 0.000 1.190 169 A CA 1.153 53.198 52.037 0.014 0.000 0.617 169 A CB -1.001 17.967 19.000 -0.053 0.000 0.827 169 A HN 0.460 nan 8.150 nan 0.000 0.443 170 W N -0.249 121.193 121.300 0.237 0.000 2.364 170 W HA -0.076 4.584 4.660 -0.000 0.000 0.281 170 W C 2.660 179.282 176.519 0.172 0.000 1.219 170 W CA 1.205 58.717 57.345 0.277 0.000 1.220 170 W CB -0.017 29.595 29.460 0.252 0.000 1.127 170 W HN 0.442 nan 8.180 nan 0.000 0.556 171 A N 0.445 123.458 122.820 0.322 0.000 1.933 171 A HA -0.193 4.127 4.320 -0.000 0.000 0.218 171 A C 1.867 179.504 177.584 0.087 0.000 1.175 171 A CA 1.394 53.535 52.037 0.173 0.000 0.628 171 A CB -0.648 18.426 19.000 0.124 0.000 0.814 171 A HN 0.321 nan 8.150 nan 0.000 0.444 172 R N -2.067 118.431 120.500 -0.004 0.000 2.293 172 R HA -0.095 4.245 4.340 -0.000 0.000 0.219 172 R C 0.508 176.671 176.300 -0.227 0.000 1.091 172 R CA 1.074 57.072 56.100 -0.170 0.000 1.004 172 R CB -0.245 29.860 30.300 -0.325 0.000 0.865 172 R HN 0.689 nan 8.270 nan 0.000 0.469 173 Y N -1.254 119.079 120.300 0.055 0.000 2.507 173 Y HA 0.269 4.819 4.550 -0.000 0.000 0.254 173 Y C 1.493 177.439 175.900 0.077 0.000 1.171 173 Y CA 0.258 58.399 58.100 0.068 0.000 1.238 173 Y CB 1.183 39.713 38.460 0.117 0.000 1.148 173 Y HN 0.188 nan 8.280 nan 0.000 0.525 174 G N -0.482 108.422 108.800 0.173 0.000 2.179 174 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.220 174 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.220 174 G C -0.179 174.757 174.900 0.060 0.000 0.990 174 G CA -0.045 45.112 45.100 0.095 0.000 0.646 174 G HN 0.037 nan 8.290 nan 0.000 0.517 175 V N 2.588 122.559 119.914 0.096 0.000 2.421 175 V HA 0.276 4.396 4.120 -0.000 0.000 0.271 175 V C 1.919 177.980 176.094 -0.056 0.000 1.031 175 V CA 0.457 62.730 62.300 -0.044 0.000 1.032 175 V CB 1.010 32.759 31.823 -0.125 0.000 1.009 175 V HN 0.341 nan 8.190 nan 0.000 0.477 176 L N 4.221 125.392 121.223 -0.086 0.000 2.127 176 L HA 0.323 4.663 4.340 -0.000 0.000 0.203 176 L C 1.020 177.861 176.870 -0.048 0.000 1.080 176 L CA 1.291 56.102 54.840 -0.048 0.000 0.768 176 L CB -0.096 41.936 42.059 -0.045 0.000 0.924 176 L HN 0.778 nan 8.230 nan 0.000 0.444 177 A N -1.507 121.233 122.820 -0.133 0.000 2.599 177 A HA 0.651 4.971 4.320 -0.000 0.000 0.290 177 A C -1.847 175.587 177.584 -0.249 0.000 1.101 177 A CA -0.521 51.474 52.037 -0.071 0.000 0.674 177 A CB 0.785 19.781 19.000 -0.007 0.000 1.277 177 A HN -0.077 nan 8.150 nan 0.000 0.419 178 F N 0.627 120.513 119.950 -0.107 0.000 2.469 178 F HA 0.636 5.163 4.527 -0.000 0.000 0.332 178 F C 0.585 176.314 175.800 -0.119 0.000 1.103 178 F CA -0.022 57.891 58.000 -0.146 0.000 0.979 178 F CB 2.223 41.112 39.000 -0.185 0.000 1.137 178 F HN 0.822 nan 8.300 nan 0.000 0.463 179 E N 0.749 120.970 120.200 0.035 0.000 2.433 179 E HA 0.638 4.988 4.350 -0.000 0.000 0.264 179 E C -1.100 175.498 176.600 -0.004 0.000 0.960 179 E CA -0.839 55.567 56.400 0.009 0.000 0.866 179 E CB 1.566 31.247 29.700 -0.032 0.000 1.615 179 E HN 0.506 nan 8.360 nan 0.000 0.442 180 M N -0.041 119.549 119.600 -0.016 0.000 2.875 180 M HA 0.358 4.837 4.480 -0.000 0.000 0.403 180 M C -0.577 175.690 176.300 -0.054 0.000 1.304 180 M CA 0.221 55.508 55.300 -0.022 0.000 0.854 180 M CB 0.674 33.283 32.600 0.015 0.000 1.415 180 M HN 0.587 nan 8.290 nan 0.000 0.505 181 E N -0.566 119.575 120.200 -0.098 0.000 2.652 181 E HA 0.296 4.646 4.350 -0.000 0.000 0.197 181 E C 1.709 178.175 176.600 -0.223 0.000 0.936 181 E CA 0.613 56.939 56.400 -0.123 0.000 1.638 181 E CB -0.011 29.629 29.700 -0.100 0.000 1.884 181 E HN 0.304 nan 8.360 nan 0.000 1.005 182 A N 1.478 124.106 122.820 -0.319 0.000 1.881 182 A HA -0.343 3.977 4.320 -0.000 0.000 0.219 182 A C 2.295 179.432 177.584 -0.743 0.000 1.215 182 A CA 3.122 54.760 52.037 -0.664 0.000 0.648 182 A CB -1.318 17.324 19.000 -0.596 0.000 0.832 182 A HN 0.353 nan 8.150 nan 0.000 0.455 183 S N 0.258 115.747 115.700 -0.352 0.000 2.368 183 S HA -0.136 4.333 4.470 -0.000 0.000 0.226 183 S C 2.118 176.679 174.600 -0.065 0.000 1.044 183 S CA 2.144 60.268 58.200 -0.125 0.000 1.062 183 S CB -1.018 62.155 63.200 -0.045 0.000 0.931 183 S HN 1.259 nan 8.310 nan 0.000 0.440 184 A N 1.642 124.409 122.820 -0.088 0.000 1.930 184 A HA 0.129 4.449 4.320 -0.000 0.000 0.217 184 A C 2.267 179.803 177.584 -0.080 0.000 1.175 184 A CA 1.502 53.509 52.037 -0.050 0.000 0.627 184 A CB -0.877 18.116 19.000 -0.010 0.000 0.815 184 A HN 0.565 nan 8.150 nan 0.000 0.443 185 L N -0.708 120.431 121.223 -0.139 0.000 1.994 185 L HA -0.091 4.249 4.340 -0.000 0.000 0.208 185 L C 2.293 179.203 176.870 0.068 0.000 1.071 185 L CA 1.913 56.699 54.840 -0.091 0.000 0.745 185 L CB -0.888 41.064 42.059 -0.178 0.000 0.892 185 L HN 0.473 nan 8.230 nan 0.000 0.431 186 F N -1.290 118.659 119.950 -0.001 0.000 2.069 186 F HA -0.306 4.221 4.527 -0.000 0.000 0.298 186 F C 2.419 178.242 175.800 0.039 0.000 1.113 186 F CA 0.865 58.877 58.000 0.019 0.000 1.214 186 F CB -0.520 38.494 39.000 0.022 0.000 0.978 186 F HN 0.253 nan 8.300 nan 0.000 0.474 187 L N 0.898 122.263 121.223 0.237 0.000 1.989 187 L HA -0.227 4.113 4.340 -0.000 0.000 0.211 187 L C 2.074 178.903 176.870 -0.069 0.000 1.071 187 L CA 1.756 56.638 54.840 0.070 0.000 0.749 187 L CB -0.945 41.054 42.059 -0.099 0.000 0.890 187 L HN 0.101 nan 8.230 nan 0.000 0.431 188 L N -0.601 120.543 121.223 -0.133 0.000 2.191 188 L HA -0.135 4.205 4.340 -0.000 0.000 0.212 188 L C 2.504 179.339 176.870 -0.059 0.000 1.103 188 L CA 1.029 55.764 54.840 -0.176 0.000 0.769 188 L CB -1.371 40.575 42.059 -0.189 0.000 0.908 188 L HN 0.521 nan 8.230 nan 0.000 0.438 189 G N -0.338 108.476 108.800 0.022 0.000 2.418 189 G HA2 -0.223 3.736 3.960 -0.000 0.000 0.217 189 G HA3 -0.223 3.736 3.960 -0.000 0.000 0.217 189 G C 1.785 176.703 174.900 0.031 0.000 1.158 189 G CA 0.286 45.415 45.100 0.049 0.000 0.771 189 G HN 0.147 nan 8.290 nan 0.000 0.545 190 R N -0.159 120.365 120.500 0.041 0.000 2.062 190 R HA 0.191 4.531 4.340 -0.000 0.000 0.229 190 R C 2.736 179.036 176.300 0.001 0.000 1.128 190 R CA 0.847 56.970 56.100 0.038 0.000 0.960 190 R CB -0.895 29.463 30.300 0.097 0.000 0.855 190 R HN 0.410 nan 8.270 nan 0.000 0.432 191 M N 0.370 119.945 119.600 -0.042 0.000 2.117 191 M HA -0.130 4.350 4.480 -0.000 0.000 0.262 191 M C 1.613 177.886 176.300 -0.046 0.000 1.065 191 M CA 1.599 56.858 55.300 -0.068 0.000 1.114 191 M CB -0.088 32.424 32.600 -0.146 0.000 1.361 191 M HN -0.126 nan 8.290 nan 0.000 0.408 192 R N 0.028 120.500 120.500 -0.046 0.000 2.317 192 R HA 0.213 4.553 4.340 -0.000 0.000 0.208 192 R C 0.859 177.155 176.300 -0.006 0.000 0.914 192 R CA 0.541 56.626 56.100 -0.025 0.000 1.060 192 R CB -0.643 29.640 30.300 -0.030 0.000 1.015 192 R HN 0.571 nan 8.270 nan 0.000 0.498 193 G N 1.516 110.315 108.800 -0.001 0.000 2.272 193 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.280 193 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.280 193 G C 0.170 175.079 174.900 0.014 0.000 1.067 193 G CA 0.589 45.694 45.100 0.008 0.000 0.902 193 G HN 0.293 nan 8.290 nan 0.000 0.500 194 V N -4.086 115.839 119.914 0.019 0.000 3.046 194 V HA 0.865 4.985 4.120 -0.000 0.000 0.316 194 V C 0.305 176.421 176.094 0.037 0.000 1.104 194 V CA -1.991 60.324 62.300 0.026 0.000 1.006 194 V CB 1.718 33.557 31.823 0.027 0.000 1.058 194 V HN 0.296 nan 8.190 nan 0.000 0.440 195 R N 2.009 122.534 120.500 0.042 0.000 2.196 195 R HA 0.582 4.922 4.340 -0.000 0.000 0.340 195 R C 0.078 176.422 176.300 0.073 0.000 1.043 195 R CA 0.059 56.190 56.100 0.051 0.000 0.883 195 R CB 1.170 31.497 30.300 0.045 0.000 1.078 195 R HN 1.056 nan 8.270 nan 0.000 0.462 196 T N -0.850 113.763 114.554 0.098 0.000 2.940 196 T HA 0.869 5.219 4.350 -0.000 0.000 0.288 196 T C 0.239 175.057 174.700 0.197 0.000 1.045 196 T CA -0.816 61.378 62.100 0.156 0.000 1.018 196 T CB 2.399 71.399 68.868 0.220 0.000 1.151 196 T HN 0.595 nan 8.240 nan 0.000 0.529 197 G N -0.849 108.118 108.800 0.278 0.000 2.559 197 G HA2 0.763 4.723 3.960 -0.000 0.000 0.291 197 G HA3 0.763 4.723 3.960 -0.000 0.000 0.291 197 G C -1.782 173.335 174.900 0.361 0.000 1.424 197 G CA -0.501 44.797 45.100 0.330 0.000 0.786 197 G HN 1.319 nan 8.290 nan 0.000 0.485 198 A N -0.271 122.765 122.820 0.360 0.000 2.517 198 A HA 0.777 5.097 4.320 -0.000 0.000 0.297 198 A C -1.471 176.210 177.584 0.161 0.000 1.050 198 A CA -0.438 51.726 52.037 0.212 0.000 0.694 198 A CB 1.466 20.549 19.000 0.138 0.000 1.277 198 A HN 1.569 nan 8.150 nan 0.000 0.400 199 I N 2.535 123.157 120.570 0.086 0.000 2.545 199 I HA 0.743 4.913 4.170 -0.000 0.000 0.292 199 I C -1.655 174.482 176.117 0.033 0.000 1.040 199 I CA -1.112 60.224 61.300 0.060 0.000 1.068 199 I CB 1.502 39.528 38.000 0.043 0.000 1.251 199 I HN 0.666 nan 8.210 nan 0.000 0.424 200 L N 6.843 128.082 121.223 0.027 0.000 2.333 200 L HA 0.853 5.193 4.340 -0.000 0.000 0.263 200 L C -0.591 176.285 176.870 0.010 0.000 1.014 200 L CA -0.807 54.039 54.840 0.011 0.000 0.820 200 L CB 1.926 43.988 42.059 0.004 0.000 1.352 200 L HN 0.620 nan 8.230 nan 0.000 0.421 201 A N 1.259 124.079 122.820 0.000 0.000 2.285 201 A HA 0.650 4.970 4.320 -0.000 0.000 0.310 201 A C -0.513 177.069 177.584 -0.004 0.000 1.266 201 A CA -0.555 51.479 52.037 -0.004 0.000 0.832 201 A CB 1.020 20.009 19.000 -0.017 0.000 1.163 201 A HN 0.385 nan 8.150 nan 0.000 0.499 202 V N 3.321 123.236 119.914 0.002 0.000 2.509 202 V HA 0.061 4.181 4.120 -0.000 0.000 0.297 202 V C 1.460 177.554 176.094 0.000 0.000 1.014 202 V CA 1.449 63.752 62.300 0.005 0.000 1.127 202 V CB 0.698 32.527 31.823 0.009 0.000 0.925 202 V HN 1.121 nan 8.190 nan 0.000 0.480 203 S N 2.838 118.541 115.700 0.004 0.000 2.559 203 S HA 0.246 4.716 4.470 -0.000 0.000 0.226 203 S C 0.249 174.854 174.600 0.009 0.000 1.000 203 S CA 0.079 58.279 58.200 -0.000 0.000 0.948 203 S CB -0.203 62.995 63.200 -0.002 0.000 0.870 203 S HN 1.030 nan 8.310 nan 0.000 0.497 204 N N -0.528 118.180 118.700 0.013 0.000 3.501 204 N HA 0.394 5.134 4.740 -0.000 0.000 0.235 204 N C -1.723 173.790 175.510 0.006 0.000 1.442 204 N CA -1.062 51.996 53.050 0.012 0.000 0.872 204 N CB 0.556 39.057 38.487 0.024 0.000 1.414 204 N HN 0.011 nan 8.380 nan 0.000 0.485 205 R N -0.011 120.489 120.500 -0.001 0.000 2.532 205 R HA 0.508 4.848 4.340 -0.000 0.000 0.295 205 R C -0.265 176.010 176.300 -0.041 0.000 0.968 205 R CA -0.882 55.214 56.100 -0.007 0.000 0.916 205 R CB 0.873 31.173 30.300 -0.000 0.000 1.124 205 R HN 0.507 nan 8.270 nan 0.000 0.463 206 I N 2.924 123.455 120.570 -0.065 0.000 2.821 206 I HA -0.054 4.116 4.170 -0.000 0.000 0.294 206 I C 1.469 177.515 176.117 -0.118 0.000 1.210 206 I CA 1.608 62.814 61.300 -0.157 0.000 1.430 206 I CB 0.138 38.013 38.000 -0.208 0.000 1.356 206 I HN 1.039 nan 8.210 nan 0.000 0.563 207 G N 5.475 114.194 108.800 -0.134 0.000 2.232 207 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.226 207 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.226 207 G C 0.149 175.043 174.900 -0.010 0.000 0.996 207 G CA -0.313 44.750 45.100 -0.062 0.000 0.626 207 G HN 0.525 nan 8.290 nan 0.000 0.509 208 D N 1.588 121.983 120.400 -0.009 0.000 2.493 208 D HA 0.404 5.044 4.640 -0.000 0.000 0.240 208 D C -0.668 175.668 176.300 0.061 0.000 1.142 208 D CA -0.788 53.225 54.000 0.022 0.000 0.872 208 D CB 1.186 41.997 40.800 0.018 0.000 1.173 208 D HN 0.169 nan 8.370 nan 0.000 0.467 209 P HA -0.008 nan 4.420 nan 0.000 0.221 209 P C -0.287 177.063 177.300 0.083 0.000 1.150 209 P CA 0.844 63.993 63.100 0.082 0.000 0.800 209 P CB 0.514 32.245 31.700 0.052 0.000 0.787 210 E N -1.691 118.545 120.200 0.059 0.000 2.433 210 E HA 0.420 4.770 4.350 -0.000 0.000 0.273 210 E C -0.702 175.921 176.600 0.040 0.000 0.950 210 E CA -0.960 55.468 56.400 0.047 0.000 0.796 210 E CB 1.514 31.230 29.700 0.027 0.000 1.330 210 E HN -0.143 nan 8.360 nan 0.000 0.455 211 L N 1.322 122.562 121.223 0.028 0.000 2.399 211 L HA 0.484 4.824 4.340 -0.000 0.000 0.266 211 L C 0.536 177.408 176.870 0.004 0.000 1.114 211 L CA -0.708 54.142 54.840 0.017 0.000 0.804 211 L CB 0.703 42.765 42.059 0.005 0.000 1.146 211 L HN 0.624 nan 8.230 nan 0.000 0.451 212 A N 2.809 125.628 122.820 -0.001 0.000 2.492 212 A HA 0.277 4.597 4.320 -0.000 0.000 0.236 212 A C -2.179 175.395 177.584 -0.015 0.000 1.078 212 A CA -0.815 51.218 52.037 -0.007 0.000 0.773 212 A CB -0.822 18.173 19.000 -0.009 0.000 1.023 212 A HN 0.510 nan 8.150 nan 0.000 0.504 213 P HA 0.013 nan 4.420 nan 0.000 0.261 213 P C -1.756 175.525 177.300 -0.032 0.000 1.173 213 P CA -0.627 62.461 63.100 -0.020 0.000 0.760 213 P CB 0.141 31.832 31.700 -0.015 0.000 0.783 214 P HA -0.229 nan 4.420 nan 0.000 0.224 214 P C 0.857 178.120 177.300 -0.062 0.000 1.142 214 P CA 1.441 64.505 63.100 -0.059 0.000 0.778 214 P CB 0.134 31.798 31.700 -0.061 0.000 0.764 215 E N 0.253 120.428 120.200 -0.043 0.000 2.014 215 E HA -0.066 4.284 4.350 -0.000 0.000 0.190 215 E C 2.083 178.661 176.600 -0.037 0.000 0.980 215 E CA 0.954 57.332 56.400 -0.037 0.000 0.807 215 E CB -1.343 28.343 29.700 -0.023 0.000 0.770 215 E HN 0.070 nan 8.360 nan 0.000 0.451 216 V N 1.655 121.551 119.914 -0.030 0.000 2.469 216 V HA -0.237 3.883 4.120 -0.000 0.000 0.251 216 V C 2.530 178.602 176.094 -0.037 0.000 1.064 216 V CA 1.601 63.885 62.300 -0.027 0.000 1.066 216 V CB -0.778 31.034 31.823 -0.019 0.000 0.667 216 V HN 0.122 nan 8.190 nan 0.000 0.461 217 L N 0.074 121.270 121.223 -0.046 0.000 2.095 217 L HA -0.056 4.284 4.340 -0.000 0.000 0.204 217 L C 2.453 179.273 176.870 -0.082 0.000 1.080 217 L CA 1.903 56.709 54.840 -0.058 0.000 0.759 217 L CB -0.830 41.193 42.059 -0.061 0.000 0.914 217 L HN 0.320 nan 8.230 nan 0.000 0.439 218 Q N 0.152 119.893 119.800 -0.098 0.000 2.077 218 Q HA -0.288 4.052 4.340 -0.000 0.000 0.206 218 Q C 2.179 178.128 176.000 -0.085 0.000 0.989 218 Q CA 2.231 57.955 55.803 -0.132 0.000 0.853 218 Q CB -0.364 28.298 28.738 -0.127 0.000 0.907 218 Q HN 0.584 nan 8.270 nan 0.000 0.418 219 E N -0.943 119.223 120.200 -0.057 0.000 2.110 219 E HA -0.069 4.281 4.350 -0.000 0.000 0.193 219 E C 1.795 178.348 176.600 -0.079 0.000 0.988 219 E CA 1.569 57.939 56.400 -0.050 0.000 0.804 219 E CB -0.937 28.731 29.700 -0.054 0.000 0.745 219 E HN 0.454 nan 8.360 nan 0.000 0.458 220 G N -0.070 108.686 108.800 -0.073 0.000 2.422 220 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.218 220 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.218 220 G C 1.682 176.549 174.900 -0.054 0.000 1.146 220 G CA 1.002 46.059 45.100 -0.071 0.000 0.769 220 G HN 0.264 nan 8.290 nan 0.000 0.547 221 V N 0.336 120.218 119.914 -0.053 0.000 2.427 221 V HA -0.077 4.042 4.120 -0.000 0.000 0.248 221 V C 2.734 178.867 176.094 0.065 0.000 1.051 221 V CA 1.802 64.081 62.300 -0.035 0.000 1.048 221 V CB -0.400 31.347 31.823 -0.127 0.000 0.666 221 V HN 0.344 nan 8.190 nan 0.000 0.456 222 R N 0.134 120.709 120.500 0.124 0.000 2.066 222 R HA -0.122 4.218 4.340 -0.000 0.000 0.232 222 R C 2.617 179.030 176.300 0.189 0.000 1.131 222 R CA 1.474 57.783 56.100 0.348 0.000 0.955 222 R CB -0.143 30.362 30.300 0.343 0.000 0.851 222 R HN 0.423 nan 8.270 nan 0.000 0.432 223 R N 0.203 120.696 120.500 -0.011 0.000 2.083 223 R HA -0.187 4.153 4.340 -0.000 0.000 0.237 223 R C 2.438 178.774 176.300 0.060 0.000 1.137 223 R CA 2.083 58.110 56.100 -0.122 0.000 0.951 223 R CB -0.457 29.529 30.300 -0.522 0.000 0.851 223 R HN 0.339 nan 8.270 nan 0.000 0.434 224 M N 0.710 120.319 119.600 0.016 0.000 2.080 224 M HA -0.187 4.293 4.480 -0.000 0.000 0.260 224 M C 1.966 178.249 176.300 -0.029 0.000 1.068 224 M CA 1.807 57.115 55.300 0.014 0.000 1.109 224 M CB -0.025 32.576 32.600 0.001 0.000 1.342 224 M HN 0.006 nan 8.290 nan 0.000 0.405 225 V N 0.616 120.482 119.914 -0.081 0.000 2.427 225 V HA -0.254 3.866 4.120 -0.000 0.000 0.248 225 V C 2.302 178.177 176.094 -0.366 0.000 1.051 225 V CA 2.291 64.420 62.300 -0.284 0.000 1.048 225 V CB -0.963 30.559 31.823 -0.501 0.000 0.666 225 V HN 0.609 nan 8.190 nan 0.000 0.456 226 E N 0.193 120.291 120.200 -0.169 0.000 2.031 226 E HA -0.197 4.153 4.350 -0.000 0.000 0.193 226 E C 2.227 178.823 176.600 -0.007 0.000 0.994 226 E CA 1.807 58.202 56.400 -0.008 0.000 0.800 226 E CB -0.043 29.831 29.700 0.291 0.000 0.752 226 E HN 0.411 nan 8.360 nan 0.000 0.447 227 V N 1.389 121.336 119.914 0.054 0.000 2.287 227 V HA -0.309 3.811 4.120 -0.000 0.000 0.248 227 V C 2.489 178.566 176.094 -0.028 0.000 1.053 227 V CA 1.970 64.287 62.300 0.029 0.000 1.027 227 V CB -0.927 30.927 31.823 0.052 0.000 0.646 227 V HN 0.448 nan 8.190 nan 0.000 0.447 228 A N -0.480 122.301 122.820 -0.065 0.000 1.933 228 A HA -0.129 4.191 4.320 -0.000 0.000 0.218 228 A C 2.231 179.739 177.584 -0.127 0.000 1.175 228 A CA 1.709 53.700 52.037 -0.077 0.000 0.628 228 A CB -0.471 18.478 19.000 -0.085 0.000 0.814 228 A HN 0.513 nan 8.150 nan 0.000 0.444 229 L N -0.659 120.415 121.223 -0.247 0.000 2.005 229 L HA -0.157 4.183 4.340 -0.000 0.000 0.207 229 L C 2.706 179.492 176.870 -0.139 0.000 1.072 229 L CA 1.262 55.860 54.840 -0.404 0.000 0.744 229 L CB -0.608 40.836 42.059 -1.025 0.000 0.895 229 L HN 0.348 nan 8.230 nan 0.000 0.433 230 E N 0.432 120.624 120.200 -0.014 0.000 2.058 230 E HA -0.259 4.091 4.350 -0.000 0.000 0.194 230 E C 2.241 178.876 176.600 0.058 0.000 0.997 230 E CA 1.506 57.972 56.400 0.109 0.000 0.801 230 E CB -0.374 29.374 29.700 0.080 0.000 0.746 230 E HN 0.488 nan 8.360 nan 0.000 0.450 231 A N 1.680 124.510 122.820 0.016 0.000 1.859 231 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 231 A C 2.619 180.219 177.584 0.027 0.000 1.198 231 A CA 2.690 54.737 52.037 0.016 0.000 0.629 231 A CB -1.204 17.801 19.000 0.009 0.000 0.830 231 A HN 0.225 nan 8.150 nan 0.000 0.446 232 V N -1.783 118.142 119.914 0.019 0.000 2.828 232 V HA -0.195 3.924 4.120 -0.000 0.000 0.260 232 V C 2.080 178.204 176.094 0.049 0.000 1.101 232 V CA 2.022 64.340 62.300 0.031 0.000 1.123 232 V CB -1.004 30.830 31.823 0.019 0.000 0.704 232 V HN 0.471 nan 8.190 nan 0.000 0.493 233 L N -0.579 120.685 121.223 0.068 0.000 2.270 233 L HA 0.064 4.404 4.340 -0.000 0.000 0.210 233 L C 2.862 179.765 176.870 0.054 0.000 1.104 233 L CA 0.901 55.790 54.840 0.082 0.000 0.804 233 L CB -0.561 41.575 42.059 0.128 0.000 0.937 233 L HN 0.299 nan 8.230 nan 0.000 0.450 234 E N 0.392 120.619 120.200 0.044 0.000 2.150 234 E HA -0.081 4.269 4.350 -0.000 0.000 0.193 234 E C 0.860 177.476 176.600 0.026 0.000 0.985 234 E CA 0.879 57.296 56.400 0.029 0.000 0.814 234 E CB -0.082 29.631 29.700 0.020 0.000 0.752 234 E HN 0.398 nan 8.360 nan 0.000 0.466 235 V N 0.000 119.933 119.914 0.031 0.000 2.409 235 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 235 V CA 0.000 62.318 62.300 0.030 0.000 1.235 235 V CB 0.000 31.843 31.823 0.034 0.000 1.184 235 V HN 0.000 nan 8.190 nan 0.000 0.556