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_E 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 0.000 174.619 174.600 0.031 0.000 1.055 2 S CA 0.000 58.217 58.200 0.028 0.000 1.107 2 S CB 0.000 63.224 63.200 0.040 0.000 0.593 3 P HA 0.258 nan 4.420 nan 0.000 0.267 3 P C 0.955 178.307 177.300 0.086 0.000 1.195 3 P CA -0.287 62.861 63.100 0.081 0.000 0.773 3 P CB 0.322 32.083 31.700 0.102 0.000 0.837 4 I N 0.427 121.065 120.570 0.113 0.000 2.394 4 I HA -0.244 3.926 4.170 0.000 0.000 0.251 4 I C 1.357 177.424 176.117 -0.085 0.000 1.136 4 I CA 1.490 62.792 61.300 0.004 0.000 1.425 4 I CB -0.334 37.648 38.000 -0.030 0.000 1.079 4 I HN 0.494 nan 8.210 nan 0.000 0.425 5 H N -0.845 118.308 119.070 0.139 0.000 2.348 5 H HA 0.211 4.767 4.556 0.000 0.000 0.306 5 H C 0.562 176.030 175.328 0.232 0.000 1.034 5 H CA 0.050 56.212 56.048 0.191 0.000 1.395 5 H CB -0.222 29.601 29.762 0.102 0.000 1.495 5 H HN -0.146 nan 8.280 nan 0.000 0.616 6 V N 3.866 123.966 119.914 0.309 0.000 2.326 6 V HA 0.096 4.216 4.120 0.000 0.000 0.249 6 V C 0.211 176.431 176.094 0.210 0.000 1.114 6 V CA 0.018 62.470 62.300 0.253 0.000 1.028 6 V CB -0.406 31.552 31.823 0.224 0.000 1.170 6 V HN 0.300 nan 8.190 nan 0.000 0.494 7 R N 3.730 124.348 120.500 0.196 0.000 3.247 7 R HA 0.491 4.832 4.340 0.000 0.000 0.212 7 R C 0.292 176.669 176.300 0.128 0.000 1.604 7 R CA 0.087 56.251 56.100 0.108 0.000 1.279 7 R CB 0.197 30.498 30.300 0.001 0.000 1.277 7 R HN 0.738 nan 8.270 nan 0.000 0.669 8 A N 1.069 123.963 122.820 0.123 0.000 2.435 8 A HA 0.431 4.751 4.320 0.000 0.000 0.296 8 A C -1.308 176.314 177.584 0.063 0.000 1.147 8 A CA -0.767 51.330 52.037 0.101 0.000 0.775 8 A CB 1.158 20.171 19.000 0.021 0.000 1.340 8 A HN 0.649 nan 8.150 nan 0.000 0.427 9 H N 0.263 119.297 119.070 -0.059 0.000 2.479 9 H HA 0.483 5.039 4.556 0.000 0.000 0.335 9 H C -2.038 173.233 175.328 -0.095 0.000 1.142 9 H CA -1.494 54.521 56.048 -0.056 0.000 1.234 9 H CB 1.760 31.500 29.762 -0.037 0.000 1.503 9 H HN 0.278 nan 8.280 nan 0.000 0.510 10 P HA -0.190 nan 4.420 nan 0.000 0.217 10 P C 1.272 178.477 177.300 -0.158 0.000 1.158 10 P CA 2.438 65.362 63.100 -0.293 0.000 0.887 10 P CB -0.054 31.434 31.700 -0.353 0.000 0.792 11 G N -0.757 108.010 108.800 -0.055 0.000 2.470 11 G HA2 -0.237 3.723 3.960 0.000 0.000 0.220 11 G HA3 -0.237 3.723 3.960 0.000 0.000 0.220 11 G C 1.178 176.065 174.900 -0.021 0.000 1.121 11 G CA 0.747 45.859 45.100 0.020 0.000 0.766 11 G HN 0.200 nan 8.290 nan 0.000 0.553 12 D N 0.062 120.422 120.400 -0.067 0.000 2.144 12 D HA -0.054 4.586 4.640 0.000 0.000 0.199 12 D C 1.239 177.322 176.300 -0.362 0.000 0.984 12 D CA 0.565 54.449 54.000 -0.193 0.000 0.834 12 D CB -0.063 40.548 40.800 -0.315 0.000 0.955 12 D HN 0.156 nan 8.370 nan 0.000 0.465 13 V N 1.123 120.818 119.914 -0.365 0.000 2.439 13 V HA 0.514 4.634 4.120 0.000 0.000 0.282 13 V C 0.559 176.597 176.094 -0.093 0.000 1.039 13 V CA -0.989 61.145 62.300 -0.277 0.000 0.913 13 V CB 1.327 32.992 31.823 -0.262 0.000 0.983 13 V HN 0.072 nan 8.190 nan 0.000 0.460 14 A N 3.244 126.053 122.820 -0.017 0.000 2.272 14 A HA 0.436 4.756 4.320 0.000 0.000 0.275 14 A C 1.053 178.646 177.584 0.016 0.000 1.096 14 A CA -0.339 51.708 52.037 0.016 0.000 0.822 14 A CB 0.254 19.287 19.000 0.055 0.000 1.088 14 A HN 0.915 nan 8.150 nan 0.000 0.495 15 E N -0.033 120.179 120.200 0.020 0.000 2.153 15 E HA -0.131 4.219 4.350 0.000 0.000 0.194 15 E C 0.104 176.722 176.600 0.030 0.000 0.988 15 E CA 0.883 57.295 56.400 0.019 0.000 0.811 15 E CB -0.010 29.702 29.700 0.020 0.000 0.746 15 E HN 0.499 nan 8.360 nan 0.000 0.466 16 R N 0.849 121.374 120.500 0.041 0.000 2.346 16 R HA 0.409 4.749 4.340 0.000 0.000 0.311 16 R C -0.990 175.343 176.300 0.056 0.000 0.983 16 R CA -0.362 55.766 56.100 0.046 0.000 0.880 16 R CB 1.899 32.228 30.300 0.049 0.000 1.100 16 R HN -0.149 nan 8.270 nan 0.000 0.453 17 V N 4.431 124.378 119.914 0.054 0.000 2.808 17 V HA 0.397 4.517 4.120 0.000 0.000 0.308 17 V C -0.416 175.709 176.094 0.053 0.000 1.099 17 V CA -0.927 61.415 62.300 0.070 0.000 0.920 17 V CB 2.254 34.127 31.823 0.084 0.000 1.014 17 V HN 0.585 nan 8.190 nan 0.000 0.425 18 L N 4.576 125.829 121.223 0.049 0.000 2.322 18 L HA 0.608 4.948 4.340 0.000 0.000 0.279 18 L C -0.756 176.144 176.870 0.051 0.000 1.036 18 L CA -0.580 54.274 54.840 0.024 0.000 0.807 18 L CB 1.663 43.709 42.059 -0.022 0.000 1.226 18 L HN 0.478 nan 8.230 nan 0.000 0.433 19 L N 5.192 126.440 121.223 0.040 0.000 2.445 19 L HA 0.375 4.715 4.340 0.000 0.000 0.252 19 L C -2.281 174.606 176.870 0.029 0.000 1.105 19 L CA -1.566 53.301 54.840 0.045 0.000 0.943 19 L CB 1.069 43.150 42.059 0.038 0.000 1.277 19 L HN 0.322 nan 8.230 nan 0.000 0.465 20 P HA 0.148 nan 4.420 nan 0.000 0.281 20 P C 0.538 177.846 177.300 0.014 0.000 1.249 20 P CA -0.241 62.874 63.100 0.024 0.000 0.810 20 P CB 2.158 33.885 31.700 0.045 0.000 1.008 21 G N 1.237 110.031 108.800 -0.009 0.000 2.453 21 G HA2 -0.083 3.877 3.960 0.000 0.000 0.215 21 G HA3 -0.083 3.877 3.960 0.000 0.000 0.215 21 G C 0.292 175.166 174.900 -0.044 0.000 1.147 21 G CA 0.357 45.441 45.100 -0.027 0.000 0.802 21 G HN 0.543 nan 8.290 nan 0.000 0.535 22 D N 0.521 120.895 120.400 -0.043 0.000 2.295 22 D HA 0.236 4.876 4.640 0.000 0.000 0.248 22 D C -0.800 175.463 176.300 -0.062 0.000 1.154 22 D CA -2.477 51.481 54.000 -0.071 0.000 0.857 22 D CB 1.993 42.753 40.800 -0.066 0.000 1.117 22 D HN 0.005 nan 8.370 nan 0.000 0.468 23 P HA -0.104 nan 4.420 nan 0.000 0.218 23 P C 1.323 178.590 177.300 -0.055 0.000 1.148 23 P CA 1.004 63.984 63.100 -0.201 0.000 0.822 23 P CB 0.135 31.421 31.700 -0.689 0.000 0.784 24 G N 0.228 108.966 108.800 -0.102 0.000 2.432 24 G HA2 -0.235 3.725 3.960 0.000 0.000 0.219 24 G HA3 -0.235 3.725 3.960 0.000 0.000 0.219 24 G C 1.913 176.898 174.900 0.142 0.000 1.135 24 G CA 0.374 45.499 45.100 0.043 0.000 0.767 24 G HN 0.259 nan 8.290 nan 0.000 0.550 25 R N 0.295 120.854 120.500 0.098 0.000 2.119 25 R HA 0.160 4.500 4.340 0.000 0.000 0.222 25 R C 2.858 179.288 176.300 0.217 0.000 1.088 25 R CA 1.080 57.280 56.100 0.166 0.000 0.984 25 R CB -0.251 30.095 30.300 0.077 0.000 0.884 25 R HN 0.272 nan 8.270 nan 0.000 0.447 26 A N 1.056 123.979 122.820 0.172 0.000 1.908 26 A HA -0.234 4.086 4.320 0.000 0.000 0.218 26 A C 1.987 179.557 177.584 -0.023 0.000 1.181 26 A CA 1.715 53.854 52.037 0.170 0.000 0.627 26 A CB -0.521 18.671 19.000 0.321 0.000 0.818 26 A HN 0.567 nan 8.150 nan 0.000 0.445 27 E N -1.593 118.642 120.200 0.057 0.000 2.028 27 E HA -0.246 4.104 4.350 0.000 0.000 0.191 27 E C 1.849 178.369 176.600 -0.133 0.000 0.988 27 E CA 1.346 57.604 56.400 -0.236 0.000 0.799 27 E CB -0.349 29.501 29.700 0.250 0.000 0.755 27 E HN 0.741 nan 8.360 nan 0.000 0.447 28 W N 1.511 122.779 121.300 -0.053 0.000 2.321 28 W HA -0.206 4.454 4.660 0.000 0.000 0.306 28 W C 1.864 178.401 176.519 0.031 0.000 1.217 28 W CA 1.931 59.277 57.345 0.001 0.000 1.257 28 W CB -0.330 29.151 29.460 0.035 0.000 1.145 28 W HN 0.090 nan 8.180 nan 0.000 0.509 29 I N 0.572 121.143 120.570 0.002 0.000 2.127 29 I HA -0.355 3.816 4.170 0.000 0.000 0.241 29 I C 2.661 178.665 176.117 -0.188 0.000 1.075 29 I CA 1.653 62.846 61.300 -0.179 0.000 1.334 29 I CB -1.217 36.732 38.000 -0.084 0.000 1.040 29 I HN 0.112 nan 8.210 nan 0.000 0.405 30 A N 0.932 123.602 122.820 -0.251 0.000 1.865 30 A HA -0.258 4.062 4.320 0.000 0.000 0.217 30 A C 2.263 179.733 177.584 -0.189 0.000 1.191 30 A CA 1.929 53.813 52.037 -0.255 0.000 0.623 30 A CB -0.556 18.065 19.000 -0.632 0.000 0.826 30 A HN 0.360 nan 8.150 nan 0.000 0.444 31 K N -1.130 119.120 120.400 -0.251 0.000 2.439 31 K HA -0.004 4.316 4.320 0.000 0.000 0.197 31 K C 1.509 177.971 176.600 -0.231 0.000 1.041 31 K CA 1.361 57.534 56.287 -0.190 0.000 0.970 31 K CB -0.044 32.364 32.500 -0.154 0.000 0.773 31 K HN 0.498 nan 8.250 nan 0.000 0.479 32 T N -0.497 113.852 114.554 -0.342 0.000 3.034 32 T HA 0.096 4.446 4.350 0.000 0.000 0.248 32 T C 0.916 175.376 174.700 -0.401 0.000 1.040 32 T CA 0.534 62.354 62.100 -0.467 0.000 1.107 32 T CB 0.096 68.393 68.868 -0.952 0.000 0.932 32 T HN 0.043 nan 8.240 nan 0.000 0.474 33 F N 0.568 120.363 119.950 -0.258 0.000 2.712 33 F HA 0.480 5.007 4.527 0.000 0.000 0.297 33 F C 0.464 176.300 175.800 0.061 0.000 1.114 33 F CA -0.444 57.520 58.000 -0.059 0.000 1.305 33 F CB 0.222 39.181 39.000 -0.068 0.000 1.086 33 F HN -0.049 nan 8.300 nan 0.000 0.599 34 L N 1.102 122.426 121.223 0.168 0.000 2.309 34 L HA 0.395 4.735 4.340 0.000 0.000 0.282 34 L C 0.071 176.978 176.870 0.062 0.000 1.036 34 L CA -0.642 54.281 54.840 0.138 0.000 0.806 34 L CB 1.438 43.566 42.059 0.115 0.000 1.220 34 L HN 0.005 nan 8.230 nan 0.000 0.429 35 Q N 2.868 122.703 119.800 0.058 0.000 2.267 35 Q HA 0.086 4.426 4.340 0.000 0.000 0.255 35 Q C -0.112 175.909 176.000 0.035 0.000 0.923 35 Q CA -0.261 55.556 55.803 0.024 0.000 0.925 35 Q CB 0.597 29.339 28.738 0.006 0.000 1.195 35 Q HN 0.626 nan 8.270 nan 0.000 0.417 36 N N 2.680 121.394 118.700 0.025 0.000 2.727 36 N HA -0.119 4.622 4.740 0.000 0.000 0.251 36 N C -2.653 172.891 175.510 0.057 0.000 1.040 36 N CA 0.424 53.494 53.050 0.033 0.000 0.712 36 N CB -0.160 38.346 38.487 0.032 0.000 0.912 36 N HN 0.453 nan 8.380 nan 0.000 0.545 37 P HA 0.222 nan 4.420 nan 0.000 0.281 37 P C -0.671 176.704 177.300 0.125 0.000 1.252 37 P CA 0.113 63.273 63.100 0.100 0.000 0.778 37 P CB 0.880 32.617 31.700 0.063 0.000 0.895 38 R N 2.736 123.330 120.500 0.157 0.000 2.599 38 R HA 0.426 4.766 4.340 0.000 0.000 0.295 38 R C 0.135 176.488 176.300 0.089 0.000 0.963 38 R CA -1.050 55.121 56.100 0.117 0.000 0.883 38 R CB 2.225 32.581 30.300 0.092 0.000 1.171 38 R HN 0.551 nan 8.270 nan 0.000 0.450 39 R N 2.182 122.643 120.500 -0.065 0.000 2.254 39 R HA 0.126 4.466 4.340 0.000 0.000 0.318 39 R C 0.171 176.313 176.300 -0.264 0.000 1.031 39 R CA -0.052 55.787 56.100 -0.434 0.000 0.905 39 R CB 0.427 30.363 30.300 -0.606 0.000 1.050 39 R HN 0.682 nan 8.270 nan 0.000 0.456 40 Y N 1.403 121.594 120.300 -0.182 0.000 2.467 40 Y HA 0.440 4.990 4.550 0.000 0.000 0.250 40 Y C -0.582 175.274 175.900 -0.074 0.000 1.155 40 Y CA -1.060 56.989 58.100 -0.086 0.000 1.249 40 Y CB 0.198 38.643 38.460 -0.025 0.000 1.146 40 Y HN 0.529 nan 8.280 nan 0.000 0.524 41 N N 0.408 118.962 118.700 -0.244 0.000 2.555 41 N HA 0.229 4.969 4.740 0.000 0.000 0.265 41 N C -1.317 174.114 175.510 -0.132 0.000 1.135 41 N CA -0.025 52.991 53.050 -0.057 0.000 0.925 41 N CB 1.398 39.968 38.487 0.139 0.000 1.662 41 N HN 0.192 nan 8.380 nan 0.000 0.489 42 D N -0.052 120.363 120.400 0.024 0.000 2.497 42 D HA 0.023 4.663 4.640 0.000 0.000 0.256 42 D C -0.448 176.018 176.300 0.277 0.000 1.273 42 D CA -0.104 53.976 54.000 0.133 0.000 0.812 42 D CB -0.700 40.022 40.800 -0.130 0.000 1.190 42 D HN 0.585 nan 8.370 nan 0.000 0.524 43 H N 2.225 121.366 119.070 0.120 0.000 2.886 43 H HA 0.168 4.724 4.556 0.000 0.000 0.329 43 H C 0.385 175.784 175.328 0.119 0.000 1.044 43 H CA 0.572 56.682 56.048 0.103 0.000 1.456 43 H CB 0.454 30.260 29.762 0.073 0.000 1.464 43 H HN 0.018 nan 8.280 nan 0.000 0.573 44 R N 2.599 122.890 120.500 -0.349 0.000 3.953 44 R HA -0.233 4.107 4.340 0.000 0.000 0.340 44 R C 1.110 177.363 176.300 -0.079 0.000 1.195 44 R CA 0.782 56.728 56.100 -0.256 0.000 0.929 44 R CB -1.756 28.374 30.300 -0.284 0.000 1.402 44 R HN 1.127 nan 8.270 nan 0.000 0.540 45 G N -0.017 108.795 108.800 0.019 0.000 2.212 45 G HA2 -0.339 3.621 3.960 0.000 0.000 0.266 45 G HA3 -0.339 3.621 3.960 0.000 0.000 0.266 45 G C 0.327 175.158 174.900 -0.115 0.000 0.978 45 G CA 0.424 45.480 45.100 -0.074 0.000 0.632 45 G HN 0.308 nan 8.290 nan 0.000 0.537 46 L N 1.052 122.304 121.223 0.047 0.000 2.544 46 L HA 0.168 4.508 4.340 0.000 0.000 0.240 46 L C 0.573 177.562 176.870 0.199 0.000 1.421 46 L CA -0.797 54.091 54.840 0.080 0.000 1.206 46 L CB -0.650 41.466 42.059 0.096 0.000 1.463 46 L HN 0.153 nan 8.230 nan 0.000 0.437 47 W N 1.596 122.863 121.300 -0.054 0.000 2.443 47 W HA 0.233 4.893 4.660 0.000 0.000 0.335 47 W C 0.935 177.291 176.519 -0.271 0.000 1.382 47 W CA -0.681 56.557 57.345 -0.178 0.000 1.305 47 W CB -0.130 29.309 29.460 -0.034 0.000 1.283 47 W HN 0.224 nan 8.180 nan 0.000 0.567 48 G N 3.463 111.982 108.800 -0.468 0.000 2.530 48 G HA2 0.657 4.617 3.960 0.000 0.000 0.316 48 G HA3 0.657 4.617 3.960 0.000 0.000 0.316 48 G C -2.077 172.002 174.900 -1.368 0.000 1.298 48 G CA -0.565 44.075 45.100 -0.766 0.000 0.948 48 G HN 0.270 nan 8.290 nan 0.000 0.486 49 Y N 0.038 120.083 120.300 -0.425 0.000 2.536 49 Y HA 0.737 5.287 4.550 0.000 0.000 0.347 49 Y C 0.451 176.453 175.900 0.170 0.000 1.000 49 Y CA -0.816 57.185 58.100 -0.165 0.000 1.051 49 Y CB 2.979 41.412 38.460 -0.045 0.000 1.259 49 Y HN 0.455 nan 8.280 nan 0.000 0.468 50 T N 1.052 115.829 114.554 0.372 0.000 2.971 50 T HA 0.724 5.074 4.350 0.000 0.000 0.304 50 T C -0.229 174.598 174.700 0.213 0.000 1.038 50 T CA -0.743 61.546 62.100 0.315 0.000 1.007 50 T CB 1.641 70.699 68.868 0.317 0.000 1.055 50 T HN 1.010 nan 8.240 nan 0.000 0.451 51 G N 1.490 110.392 108.800 0.170 0.000 2.815 51 G HA2 0.734 4.694 3.960 0.000 0.000 0.305 51 G HA3 0.734 4.694 3.960 0.000 0.000 0.305 51 G C -1.979 172.995 174.900 0.123 0.000 1.277 51 G CA -0.768 44.411 45.100 0.131 0.000 0.795 51 G HN 0.678 nan 8.290 nan 0.000 0.528 52 L N 0.098 121.388 121.223 0.111 0.000 2.346 52 L HA 0.525 4.865 4.340 0.000 0.000 0.276 52 L C -1.498 175.463 176.870 0.152 0.000 1.006 52 L CA -0.940 53.965 54.840 0.108 0.000 0.817 52 L CB 2.308 44.401 42.059 0.057 0.000 1.272 52 L HN 0.560 nan 8.230 nan 0.000 0.421 53 Y N 3.465 123.794 120.300 0.048 0.000 2.338 53 Y HA 0.269 4.819 4.550 0.000 0.000 0.328 53 Y C 0.145 176.070 175.900 0.042 0.000 0.965 53 Y CA -1.215 56.918 58.100 0.055 0.000 1.208 53 Y CB 0.786 39.285 38.460 0.066 0.000 1.132 53 Y HN 0.554 nan 8.280 nan 0.000 0.469 54 K N 4.699 124.805 120.400 -0.490 0.000 3.077 54 K HA -0.260 4.060 4.320 0.000 0.000 0.264 54 K C 0.959 177.482 176.600 -0.128 0.000 1.008 54 K CA 0.985 57.066 56.287 -0.343 0.000 0.740 54 K CB -1.604 30.638 32.500 -0.430 0.000 1.273 54 K HN 1.292 nan 8.250 nan 0.000 0.477 55 G N -1.593 107.166 108.800 -0.070 0.000 2.225 55 G HA2 -0.322 3.639 3.960 0.000 0.000 0.254 55 G HA3 -0.322 3.639 3.960 0.000 0.000 0.254 55 G C 0.171 175.082 174.900 0.017 0.000 0.988 55 G CA 0.123 45.212 45.100 -0.020 0.000 0.625 55 G HN 0.270 nan 8.290 nan 0.000 0.527 56 V N 2.003 121.943 119.914 0.044 0.000 2.427 56 V HA 0.503 4.623 4.120 0.000 0.000 0.286 56 V C -1.838 174.316 176.094 0.100 0.000 1.034 56 V CA -1.845 60.499 62.300 0.074 0.000 0.893 56 V CB 1.660 33.542 31.823 0.098 0.000 0.982 56 V HN 0.075 nan 8.190 nan 0.000 0.452 57 P HA 0.201 nan 4.420 nan 0.000 0.267 57 P C -0.861 176.500 177.300 0.102 0.000 1.205 57 P CA 0.252 63.404 63.100 0.087 0.000 0.765 57 P CB 0.615 32.354 31.700 0.064 0.000 0.828 58 V N 3.378 123.364 119.914 0.120 0.000 2.733 58 V HA 0.309 4.429 4.120 0.000 0.000 0.306 58 V C -0.158 176.019 176.094 0.138 0.000 1.084 58 V CA -0.393 61.977 62.300 0.116 0.000 0.905 58 V CB 2.359 34.252 31.823 0.117 0.000 1.010 58 V HN 0.386 nan 8.190 nan 0.000 0.424 59 S N 2.661 118.446 115.700 0.142 0.000 2.593 59 S HA 0.781 5.251 4.470 0.000 0.000 0.297 59 S C -0.590 174.124 174.600 0.189 0.000 1.112 59 S CA -0.575 57.757 58.200 0.219 0.000 1.043 59 S CB 1.932 65.277 63.200 0.241 0.000 1.054 59 S HN 0.500 nan 8.310 nan 0.000 0.516 60 V N 3.207 123.268 119.914 0.244 0.000 2.398 60 V HA 0.407 4.527 4.120 0.000 0.000 0.282 60 V C -0.664 175.579 176.094 0.248 0.000 1.014 60 V CA -0.631 61.788 62.300 0.199 0.000 0.838 60 V CB 1.215 33.137 31.823 0.166 0.000 1.018 60 V HN 0.761 nan 8.190 nan 0.000 0.432 61 Q N 2.807 122.730 119.800 0.204 0.000 2.322 61 Q HA 0.504 4.844 4.340 0.000 0.000 0.265 61 Q C -0.116 175.969 176.000 0.142 0.000 0.985 61 Q CA -0.073 55.846 55.803 0.192 0.000 0.849 61 Q CB 1.816 30.689 28.738 0.226 0.000 1.274 61 Q HN 0.722 nan 8.270 nan 0.000 0.449 62 T N 3.042 117.678 114.554 0.137 0.000 2.916 62 T HA 0.144 4.494 4.350 0.000 0.000 0.303 62 T C 1.020 175.751 174.700 0.051 0.000 1.025 62 T CA 0.696 62.846 62.100 0.084 0.000 1.142 62 T CB 0.651 69.554 68.868 0.058 0.000 0.947 62 T HN 0.812 nan 8.240 nan 0.000 0.544 63 T N 0.124 114.690 114.554 0.020 0.000 3.023 63 T HA 0.485 4.835 4.350 0.000 0.000 0.249 63 T C 1.133 175.822 174.700 -0.019 0.000 1.050 63 T CA 0.328 62.432 62.100 0.005 0.000 1.088 63 T CB -0.205 68.661 68.868 -0.004 0.000 0.946 63 T HN 1.154 nan 8.240 nan 0.000 0.480 64 G N 1.568 110.346 108.800 -0.036 0.000 2.757 64 G HA2 -0.058 3.902 3.960 0.000 0.000 0.638 64 G HA3 -0.058 3.902 3.960 0.000 0.000 0.638 64 G C -0.675 174.193 174.900 -0.052 0.000 1.344 64 G CA -0.514 44.553 45.100 -0.055 0.000 0.855 64 G HN 0.565 nan 8.290 nan 0.000 0.537 65 M N 0.985 120.550 119.600 -0.058 0.000 2.238 65 M HA 0.573 5.053 4.480 0.000 0.000 0.350 65 M C 0.673 176.952 176.300 -0.036 0.000 1.138 65 M CA 0.650 55.918 55.300 -0.052 0.000 1.040 65 M CB 1.294 33.849 32.600 -0.074 0.000 1.639 65 M HN 2.517 nan 8.290 nan 0.000 0.451 66 G N 1.189 109.974 108.800 -0.025 0.000 2.784 66 G HA2 -0.159 3.801 3.960 0.000 0.000 0.686 66 G HA3 -0.159 3.801 3.960 0.000 0.000 0.686 66 G C 0.333 175.221 174.900 -0.021 0.000 1.156 66 G CA -0.310 44.781 45.100 -0.016 0.000 0.757 66 G HN 0.905 nan 8.290 nan 0.000 0.642 67 T N -0.528 114.015 114.554 -0.018 0.000 2.737 67 T HA -0.083 4.267 4.350 0.000 0.000 0.269 67 T C 0.218 174.919 174.700 0.001 0.000 1.040 67 T CA 2.253 64.345 62.100 -0.012 0.000 1.142 67 T CB -0.892 67.974 68.868 -0.003 0.000 0.861 67 T HN 0.427 nan 8.240 nan 0.000 0.456 68 P HA -0.098 nan 4.420 nan 0.000 0.214 68 P C 2.144 179.424 177.300 -0.034 0.000 1.163 68 P CA 1.467 64.555 63.100 -0.019 0.000 0.883 68 P CB -0.344 31.340 31.700 -0.026 0.000 0.788 69 S N -1.224 114.453 115.700 -0.038 0.000 2.368 69 S HA -0.165 4.305 4.470 0.000 0.000 0.225 69 S C 1.959 176.531 174.600 -0.046 0.000 1.030 69 S CA 1.412 59.581 58.200 -0.052 0.000 0.999 69 S CB -1.068 62.107 63.200 -0.042 0.000 0.844 69 S HN 0.056 nan 8.310 nan 0.000 0.459 70 A N 1.109 123.912 122.820 -0.029 0.000 1.930 70 A HA 0.239 4.559 4.320 0.000 0.000 0.217 70 A C 2.411 179.991 177.584 -0.008 0.000 1.175 70 A CA 1.727 53.752 52.037 -0.020 0.000 0.627 70 A CB -1.229 17.753 19.000 -0.030 0.000 0.815 70 A HN 0.699 nan 8.150 nan 0.000 0.443 71 A N -0.005 122.824 122.820 0.014 0.000 1.902 71 A HA -0.068 4.252 4.320 0.000 0.000 0.217 71 A C 2.116 179.722 177.584 0.037 0.000 1.181 71 A CA 1.442 53.517 52.037 0.063 0.000 0.623 71 A CB -0.580 18.538 19.000 0.197 0.000 0.818 71 A HN 0.487 nan 8.150 nan 0.000 0.443 72 I N -0.494 120.060 120.570 -0.028 0.000 2.127 72 I HA -0.252 3.918 4.170 0.000 0.000 0.241 72 I C 2.406 178.486 176.117 -0.062 0.000 1.075 72 I CA 1.446 62.678 61.300 -0.113 0.000 1.334 72 I CB -0.361 37.443 38.000 -0.326 0.000 1.040 72 I HN 0.169 nan 8.210 nan 0.000 0.405 73 V N 0.375 120.266 119.914 -0.038 0.000 2.287 73 V HA -0.256 3.864 4.120 0.000 0.000 0.248 73 V C 2.392 178.505 176.094 0.032 0.000 1.053 73 V CA 1.675 63.984 62.300 0.017 0.000 1.027 73 V CB -0.427 31.412 31.823 0.027 0.000 0.646 73 V HN 0.247 nan 8.190 nan 0.000 0.447 74 V N -0.447 119.478 119.914 0.019 0.000 2.343 74 V HA -0.205 3.915 4.120 0.000 0.000 0.247 74 V C 2.569 178.673 176.094 0.017 0.000 1.051 74 V CA 1.812 64.123 62.300 0.019 0.000 1.036 74 V CB -0.627 31.198 31.823 0.004 0.000 0.654 74 V HN 0.559 nan 8.190 nan 0.000 0.451 75 E N 0.176 120.387 120.200 0.019 0.000 2.058 75 E HA -0.264 4.086 4.350 0.000 0.000 0.194 75 E C 2.229 178.847 176.600 0.030 0.000 0.997 75 E CA 1.625 58.041 56.400 0.026 0.000 0.801 75 E CB -0.189 29.544 29.700 0.056 0.000 0.746 75 E HN 0.700 nan 8.360 nan 0.000 0.450 76 E N 0.466 120.690 120.200 0.040 0.000 2.150 76 E HA -0.099 4.251 4.350 0.000 0.000 0.193 76 E C 2.317 178.938 176.600 0.036 0.000 0.985 76 E CA 0.414 56.845 56.400 0.051 0.000 0.814 76 E CB -0.020 29.730 29.700 0.083 0.000 0.752 76 E HN 0.183 nan 8.360 nan 0.000 0.466 77 L N 0.342 121.588 121.223 0.038 0.000 2.056 77 L HA -0.164 4.176 4.340 0.000 0.000 0.207 77 L C 2.398 179.272 176.870 0.007 0.000 1.078 77 L CA 0.680 55.536 54.840 0.027 0.000 0.749 77 L CB -0.308 41.779 42.059 0.045 0.000 0.901 77 L HN 0.078 nan 8.230 nan 0.000 0.433 78 V N -0.136 119.784 119.914 0.010 0.000 2.343 78 V HA -0.264 3.856 4.120 0.000 0.000 0.247 78 V C 2.585 178.676 176.094 -0.006 0.000 1.051 78 V CA 1.720 64.021 62.300 0.002 0.000 1.036 78 V CB -0.590 31.233 31.823 0.000 0.000 0.654 78 V HN 0.399 nan 8.190 nan 0.000 0.451 79 R N 0.011 120.510 120.500 -0.002 0.000 2.237 79 R HA -0.003 4.337 4.340 0.000 0.000 0.219 79 R C 1.821 178.105 176.300 -0.027 0.000 1.080 79 R CA 1.330 57.426 56.100 -0.008 0.000 0.995 79 R CB -0.476 29.828 30.300 0.006 0.000 0.875 79 R HN 0.500 nan 8.270 nan 0.000 0.462 80 L N -2.006 119.197 121.223 -0.033 0.000 2.446 80 L HA 0.267 4.607 4.340 0.000 0.000 0.219 80 L C 1.136 177.965 176.870 -0.069 0.000 1.116 80 L CA 0.730 55.530 54.840 -0.066 0.000 0.844 80 L CB 0.290 42.303 42.059 -0.077 0.000 0.970 80 L HN 0.564 nan 8.230 nan 0.000 0.457 81 G N -0.721 108.053 108.800 -0.043 0.000 2.318 81 G HA2 -0.159 3.801 3.960 0.000 0.000 0.172 81 G HA3 -0.159 3.801 3.960 0.000 0.000 0.172 81 G C 0.401 175.290 174.900 -0.019 0.000 1.002 81 G CA -0.218 44.861 45.100 -0.035 0.000 0.697 81 G HN 0.339 nan 8.290 nan 0.000 0.483 82 A N 0.468 123.280 122.820 -0.013 0.000 2.548 82 A HA 0.601 4.921 4.320 0.000 0.000 0.247 82 A C 1.229 178.819 177.584 0.010 0.000 1.067 82 A CA 1.497 53.537 52.037 0.005 0.000 0.757 82 A CB 0.242 19.252 19.000 0.017 0.000 0.996 82 A HN 0.577 nan 8.150 nan 0.000 0.504 83 R N 1.747 122.256 120.500 0.015 0.000 2.164 83 R HA 0.251 4.591 4.340 0.000 0.000 0.198 83 R C -0.568 175.747 176.300 0.025 0.000 1.028 83 R CA 0.623 56.732 56.100 0.016 0.000 1.083 83 R CB 0.458 30.767 30.300 0.015 0.000 1.026 83 R HN 0.529 nan 8.270 nan 0.000 0.514 84 V N 2.822 122.754 119.914 0.031 0.000 2.407 84 V HA 0.380 4.500 4.120 0.000 0.000 0.291 84 V C -1.233 174.888 176.094 0.046 0.000 1.018 84 V CA -0.752 61.571 62.300 0.038 0.000 0.842 84 V CB 1.586 33.431 31.823 0.037 0.000 0.996 84 V HN 0.078 nan 8.190 nan 0.000 0.426 85 L N 6.034 127.291 121.223 0.056 0.000 2.319 85 L HA 0.662 5.002 4.340 0.000 0.000 0.281 85 L C -0.363 176.555 176.870 0.080 0.000 1.005 85 L CA -0.286 54.592 54.840 0.063 0.000 0.828 85 L CB 1.941 44.037 42.059 0.062 0.000 1.227 85 L HN 0.369 nan 8.230 nan 0.000 0.415 86 V N 3.383 123.337 119.914 0.066 0.000 2.407 86 V HA 0.457 4.577 4.120 0.000 0.000 0.291 86 V C 0.154 176.280 176.094 0.053 0.000 1.018 86 V CA -0.744 61.600 62.300 0.073 0.000 0.842 86 V CB 1.727 33.581 31.823 0.051 0.000 0.996 86 V HN 0.737 nan 8.190 nan 0.000 0.426 87 R N 4.261 124.797 120.500 0.061 0.000 2.438 87 R HA 0.536 4.876 4.340 0.000 0.000 0.287 87 R C -0.693 175.619 176.300 0.019 0.000 1.077 87 R CA -0.225 55.890 56.100 0.024 0.000 1.034 87 R CB 1.187 31.480 30.300 -0.011 0.000 0.993 87 R HN 0.612 nan 8.270 nan 0.000 0.459 88 V N 1.875 121.791 119.914 0.004 0.000 2.380 88 V HA 0.849 4.969 4.120 0.000 0.000 0.286 88 V C -0.056 176.035 176.094 -0.006 0.000 1.015 88 V CA -0.172 62.126 62.300 -0.004 0.000 0.834 88 V CB 1.016 32.827 31.823 -0.021 0.000 1.009 88 V HN 0.926 nan 8.190 nan 0.000 0.428 89 G N 3.080 111.874 108.800 -0.010 0.000 2.782 89 G HA2 0.814 4.774 3.960 0.000 0.000 0.304 89 G HA3 0.814 4.774 3.960 0.000 0.000 0.304 89 G C -0.473 174.417 174.900 -0.016 0.000 1.315 89 G CA -0.007 45.084 45.100 -0.015 0.000 0.791 89 G HN 1.048 nan 8.290 nan 0.000 0.519 90 T N -2.622 111.923 114.554 -0.015 0.000 2.948 90 T HA 0.869 5.219 4.350 0.000 0.000 0.285 90 T C -0.054 174.649 174.700 0.004 0.000 1.019 90 T CA 0.065 62.160 62.100 -0.008 0.000 1.013 90 T CB 1.815 70.678 68.868 -0.008 0.000 1.117 90 T HN 2.020 nan 8.240 nan 0.000 0.533 91 A N -0.327 122.500 122.820 0.012 0.000 2.610 91 A HA 0.834 5.154 4.320 0.000 0.000 0.291 91 A C -0.279 177.323 177.584 0.030 0.000 1.086 91 A CA -0.658 51.391 52.037 0.021 0.000 0.677 91 A CB 1.090 20.089 19.000 -0.002 0.000 1.278 91 A HN 1.397 nan 8.150 nan 0.000 0.414 92 G N 0.387 109.216 108.800 0.047 0.000 2.370 92 G HA2 0.686 4.646 3.960 0.000 0.000 0.317 92 G HA3 0.686 4.646 3.960 0.000 0.000 0.317 92 G C 0.213 175.168 174.900 0.093 0.000 1.162 92 G CA 0.341 45.462 45.100 0.035 0.000 0.922 92 G HN 1.676 nan 8.290 nan 0.000 0.454 93 A N 1.826 124.681 122.820 0.059 0.000 2.511 93 A HA 0.517 4.837 4.320 0.000 0.000 0.242 93 A C 1.466 179.126 177.584 0.126 0.000 1.069 93 A CA 0.557 52.638 52.037 0.074 0.000 0.763 93 A CB 0.634 19.657 19.000 0.039 0.000 1.001 93 A HN 1.607 nan 8.150 nan 0.000 0.498 94 A N 1.956 124.883 122.820 0.179 0.000 2.267 94 A HA 0.461 4.781 4.320 0.000 0.000 0.213 94 A C 1.085 178.758 177.584 0.148 0.000 1.192 94 A CA 0.956 53.149 52.037 0.260 0.000 0.851 94 A CB -0.254 19.011 19.000 0.442 0.000 0.881 94 A HN 1.299 nan 8.150 nan 0.000 0.494 95 S N -1.610 114.145 115.700 0.091 0.000 2.811 95 S HA 0.471 4.941 4.470 0.000 0.000 0.311 95 S C 0.737 175.359 174.600 0.036 0.000 1.152 95 S CA 0.188 58.423 58.200 0.059 0.000 0.864 95 S CB 1.182 64.413 63.200 0.052 0.000 1.226 95 S HN 0.534 nan 8.310 nan 0.000 0.541 96 S N -0.142 115.573 115.700 0.025 0.000 2.503 96 S HA -0.010 4.460 4.470 0.000 0.000 0.217 96 S C 0.870 175.478 174.600 0.013 0.000 0.999 96 S CA 0.576 58.785 58.200 0.016 0.000 0.914 96 S CB -0.664 62.543 63.200 0.011 0.000 0.782 96 S HN 0.815 nan 8.310 nan 0.000 0.520 97 D N 1.232 121.640 120.400 0.013 0.000 2.336 97 D HA 0.094 4.734 4.640 0.000 0.000 0.229 97 D C 0.197 176.502 176.300 0.008 0.000 1.061 97 D CA -0.067 53.938 54.000 0.009 0.000 0.875 97 D CB -0.193 40.611 40.800 0.006 0.000 0.904 97 D HN 0.384 nan 8.370 nan 0.000 0.525 98 L N 0.953 122.183 121.223 0.012 0.000 2.316 98 L HA 0.582 4.922 4.340 0.000 0.000 0.280 98 L C -0.045 176.831 176.870 0.011 0.000 1.006 98 L CA -0.841 54.005 54.840 0.010 0.000 0.836 98 L CB 1.722 43.789 42.059 0.013 0.000 1.221 98 L HN -0.050 nan 8.230 nan 0.000 0.418 99 A N 5.617 128.442 122.820 0.009 0.000 2.264 99 A HA 0.804 5.124 4.320 0.000 0.000 0.304 99 A C -2.533 175.055 177.584 0.005 0.000 1.100 99 A CA -1.547 50.494 52.037 0.007 0.000 0.839 99 A CB 0.379 19.384 19.000 0.007 0.000 1.121 99 A HN 0.403 nan 8.150 nan 0.000 0.496 100 P HA 0.380 nan 4.420 nan 0.000 0.276 100 P C 0.823 178.119 177.300 -0.007 0.000 1.230 100 P CA 1.594 64.692 63.100 -0.003 0.000 0.776 100 P CB 1.007 32.704 31.700 -0.005 0.000 0.888 101 G N 1.423 110.216 108.800 -0.012 0.000 2.194 101 G HA2 -0.227 3.733 3.960 0.000 0.000 0.236 101 G HA3 -0.227 3.733 3.960 0.000 0.000 0.236 101 G C 0.208 175.102 174.900 -0.010 0.000 0.987 101 G CA -0.271 44.817 45.100 -0.020 0.000 0.635 101 G HN 0.579 nan 8.290 nan 0.000 0.520 102 E N 0.308 120.510 120.200 0.004 0.000 2.343 102 E HA 0.596 4.946 4.350 0.000 0.000 0.269 102 E C 0.496 177.113 176.600 0.029 0.000 1.047 102 E CA -0.581 55.833 56.400 0.022 0.000 0.874 102 E CB 0.397 30.109 29.700 0.021 0.000 1.033 102 E HN 0.333 nan 8.360 nan 0.000 0.409 103 L N 4.528 125.789 121.223 0.062 0.000 2.343 103 L HA 0.496 4.836 4.340 0.000 0.000 0.275 103 L C -0.202 176.715 176.870 0.078 0.000 1.056 103 L CA -0.745 54.139 54.840 0.074 0.000 0.804 103 L CB 1.066 43.192 42.059 0.112 0.000 1.203 103 L HN 0.501 nan 8.230 nan 0.000 0.440 104 I N 2.349 122.950 120.570 0.053 0.000 2.478 104 I HA 0.274 4.444 4.170 0.000 0.000 0.287 104 I C -0.683 175.460 176.117 0.042 0.000 1.042 104 I CA -0.716 60.605 61.300 0.035 0.000 1.067 104 I CB 2.355 40.359 38.000 0.008 0.000 1.233 104 I HN 0.166 nan 8.210 nan 0.000 0.431 105 V N 5.669 125.602 119.914 0.031 0.000 2.334 105 V HA 0.327 4.447 4.120 0.000 0.000 0.267 105 V C 0.820 176.990 176.094 0.127 0.000 1.040 105 V CA -0.574 61.761 62.300 0.057 0.000 0.866 105 V CB 1.226 33.015 31.823 -0.057 0.000 1.019 105 V HN 0.845 nan 8.190 nan 0.000 0.468 106 A N 4.212 127.135 122.820 0.171 0.000 2.496 106 A HA 0.092 4.412 4.320 0.000 0.000 0.278 106 A C 1.195 178.836 177.584 0.096 0.000 1.137 106 A CA 0.160 52.300 52.037 0.171 0.000 0.805 106 A CB 0.016 19.190 19.000 0.289 0.000 1.077 106 A HN 0.943 nan 8.150 nan 0.000 0.513 107 Q N 2.386 122.146 119.800 -0.066 0.000 2.269 107 Q HA 0.227 4.567 4.340 0.000 0.000 0.201 107 Q C 0.744 176.492 176.000 -0.420 0.000 0.946 107 Q CA 1.042 56.557 55.803 -0.480 0.000 0.877 107 Q CB 0.184 28.731 28.738 -0.319 0.000 0.963 107 Q HN 0.942 nan 8.270 nan 0.000 0.472 108 G N -0.810 107.910 108.800 -0.134 0.000 2.576 108 G HA2 0.601 4.561 3.960 0.000 0.000 0.290 108 G HA3 0.601 4.561 3.960 0.000 0.000 0.290 108 G C -2.021 172.931 174.900 0.087 0.000 1.442 108 G CA -0.207 44.872 45.100 -0.035 0.000 0.792 108 G HN 0.143 nan 8.290 nan 0.000 0.491 109 A N 0.021 122.904 122.820 0.105 0.000 2.385 109 A HA 0.672 4.992 4.320 0.000 0.000 0.290 109 A C -0.347 177.186 177.584 -0.084 0.000 1.094 109 A CA -0.494 51.525 52.037 -0.030 0.000 0.729 109 A CB 1.545 20.484 19.000 -0.101 0.000 1.194 109 A HN 1.452 nan 8.150 nan 0.000 0.442 110 V N 4.872 124.676 119.914 -0.184 0.000 2.450 110 V HA 0.171 4.291 4.120 0.000 0.000 0.281 110 V C -1.719 174.268 176.094 -0.178 0.000 1.019 110 V CA -0.540 61.635 62.300 -0.209 0.000 1.062 110 V CB 0.609 32.185 31.823 -0.412 0.000 0.979 110 V HN 0.764 nan 8.190 nan 0.000 0.477 111 P HA 0.179 nan 4.420 nan 0.000 0.252 111 P C 0.276 177.561 177.300 -0.025 0.000 1.727 111 P CA 0.069 63.154 63.100 -0.026 0.000 1.134 111 P CB 0.301 32.035 31.700 0.057 0.000 1.876 112 L N 1.344 122.529 121.223 -0.064 0.000 2.611 112 L HA 0.128 4.468 4.340 0.000 0.000 0.229 112 L C 1.244 178.120 176.870 0.011 0.000 1.137 112 L CA -0.009 54.822 54.840 -0.014 0.000 0.901 112 L CB -0.330 41.704 42.059 -0.041 0.000 1.098 112 L HN 0.290 nan 8.230 nan 0.000 0.456 113 D N -0.541 119.860 120.400 0.001 0.000 2.332 113 D HA 0.135 4.775 4.640 0.000 0.000 0.252 113 D C 0.951 177.262 176.300 0.019 0.000 1.050 113 D CA -0.239 53.767 54.000 0.010 0.000 0.970 113 D CB 2.222 43.021 40.800 -0.001 0.000 1.141 113 D HN -0.048 nan 8.370 nan 0.000 0.485 114 G N -0.221 108.587 108.800 0.015 0.000 2.539 114 G HA2 -0.127 3.833 3.960 0.000 0.000 0.215 114 G HA3 -0.127 3.833 3.960 0.000 0.000 0.215 114 G C 1.331 176.230 174.900 -0.000 0.000 1.141 114 G CA 0.522 45.627 45.100 0.007 0.000 0.806 114 G HN 0.555 nan 8.290 nan 0.000 0.533 115 T N 1.472 116.032 114.554 0.010 0.000 2.674 115 T HA -0.182 4.168 4.350 0.000 0.000 0.265 115 T C 2.886 177.658 174.700 0.120 0.000 1.039 115 T CA 2.306 64.421 62.100 0.025 0.000 1.150 115 T CB -0.655 68.251 68.868 0.063 0.000 0.864 115 T HN 0.546 nan 8.240 nan 0.000 0.427 116 T N 0.825 115.452 114.554 0.121 0.000 2.788 116 T HA -0.099 4.251 4.350 0.000 0.000 0.268 116 T C 1.983 176.732 174.700 0.082 0.000 1.044 116 T CA 1.065 63.241 62.100 0.126 0.000 1.139 116 T CB -0.283 68.623 68.868 0.062 0.000 0.867 116 T HN 0.288 nan 8.240 nan 0.000 0.454 117 R N 0.770 121.298 120.500 0.047 0.000 2.081 117 R HA -0.107 4.233 4.340 0.000 0.000 0.235 117 R C 2.785 179.090 176.300 0.008 0.000 1.131 117 R CA 1.693 57.808 56.100 0.025 0.000 0.960 117 R CB -0.346 29.965 30.300 0.019 0.000 0.856 117 R HN 0.622 nan 8.270 nan 0.000 0.436 118 Q N -0.756 119.032 119.800 -0.021 0.000 2.079 118 Q HA -0.191 4.149 4.340 0.000 0.000 0.200 118 Q C 1.635 177.597 176.000 -0.064 0.000 0.974 118 Q CA 1.581 57.337 55.803 -0.077 0.000 0.840 118 Q CB -0.090 28.550 28.738 -0.163 0.000 0.898 118 Q HN 0.502 nan 8.270 nan 0.000 0.430 119 Y N -0.062 120.205 120.300 -0.055 0.000 2.242 119 Y HA -0.161 4.389 4.550 0.000 0.000 0.291 119 Y C 1.833 177.677 175.900 -0.092 0.000 1.137 119 Y CA 0.774 58.831 58.100 -0.072 0.000 1.181 119 Y CB 0.285 38.692 38.460 -0.087 0.000 0.989 119 Y HN 0.129 nan 8.280 nan 0.000 0.527 120 L N -0.365 120.892 121.223 0.058 0.000 2.558 120 L HA -0.011 4.329 4.340 0.000 0.000 0.225 120 L C 0.274 177.140 176.870 -0.007 0.000 1.128 120 L CA 0.494 55.318 54.840 -0.027 0.000 0.868 120 L CB -0.131 41.881 42.059 -0.078 0.000 1.006 120 L HN 0.193 nan 8.230 nan 0.000 0.454 121 E N -0.254 119.947 120.200 0.002 0.000 2.513 121 E HA -0.274 4.076 4.350 0.000 0.000 0.257 121 E C 1.117 177.719 176.600 0.003 0.000 1.098 121 E CA 0.202 56.602 56.400 -0.001 0.000 0.752 121 E CB -1.653 28.047 29.700 -0.000 0.000 1.324 121 E HN 0.655 nan 8.360 nan 0.000 0.403 122 G N -0.083 108.721 108.800 0.007 0.000 2.205 122 G HA2 -0.397 3.563 3.960 0.000 0.000 0.261 122 G HA3 -0.397 3.563 3.960 0.000 0.000 0.261 122 G C 0.373 175.288 174.900 0.024 0.000 0.980 122 G CA 0.493 45.602 45.100 0.015 0.000 0.632 122 G HN 0.297 nan 8.290 nan 0.000 0.533 123 R N 1.087 121.601 120.500 0.023 0.000 2.643 123 R HA 0.414 4.754 4.340 0.000 0.000 0.270 123 R C -1.896 174.445 176.300 0.069 0.000 1.061 123 R CA -1.105 55.018 56.100 0.038 0.000 1.107 123 R CB 0.179 30.498 30.300 0.032 0.000 0.999 123 R HN 0.175 nan 8.270 nan 0.000 0.460 124 P HA 0.071 nan 4.420 nan 0.000 0.273 124 P C -1.464 175.962 177.300 0.211 0.000 1.250 124 P CA 0.048 63.212 63.100 0.107 0.000 0.793 124 P CB 0.385 32.127 31.700 0.070 0.000 1.011 125 Y N -1.106 119.197 120.300 0.004 0.000 2.765 125 Y HA 0.471 5.021 4.550 0.000 0.000 0.350 125 Y C -1.829 174.069 175.900 -0.004 0.000 1.196 125 Y CA -0.998 57.103 58.100 0.001 0.000 1.119 125 Y CB 0.585 39.049 38.460 0.007 0.000 1.368 125 Y HN 0.418 nan 8.280 nan 0.000 0.463 126 A N 4.565 126.999 122.820 -0.643 0.000 2.709 126 A HA 0.652 4.972 4.320 0.000 0.000 0.332 126 A C -3.022 174.251 177.584 -0.519 0.000 1.241 126 A CA -1.704 50.077 52.037 -0.427 0.000 0.782 126 A CB 0.119 18.922 19.000 -0.328 0.000 1.109 126 A HN 0.349 nan 8.150 nan 0.000 0.472 127 P HA 0.225 nan 4.420 nan 0.000 0.261 127 P C -0.160 177.200 177.300 0.099 0.000 1.203 127 P CA 0.456 63.632 63.100 0.127 0.000 0.767 127 P CB 0.678 32.530 31.700 0.254 0.000 0.785 128 V N 2.434 122.293 119.914 -0.093 0.000 3.040 128 V HA 0.808 4.928 4.120 0.000 0.000 0.312 128 V C -2.542 173.021 176.094 -0.885 0.000 1.115 128 V CA -2.897 59.138 62.300 -0.442 0.000 0.998 128 V CB 2.412 34.005 31.823 -0.383 0.000 1.042 128 V HN 0.244 nan 8.190 nan 0.000 0.433 129 P HA 0.270 nan 4.420 nan 0.000 0.293 129 P C -0.961 176.079 177.300 -0.433 0.000 1.304 129 P CA -0.083 62.354 63.100 -1.105 0.000 0.767 129 P CB 0.777 31.911 31.700 -0.943 0.000 1.247 130 D N -0.498 119.773 120.400 -0.215 0.000 2.389 130 D HA 0.091 4.731 4.640 0.000 0.000 0.247 130 D C -1.512 174.773 176.300 -0.024 0.000 1.128 130 D CA -1.562 52.388 54.000 -0.084 0.000 0.884 130 D CB 0.321 41.109 40.800 -0.020 0.000 1.194 130 D HN 0.068 nan 8.370 nan 0.000 0.441 131 P HA -0.211 nan 4.420 nan 0.000 0.214 131 P C 0.985 178.373 177.300 0.147 0.000 1.169 131 P CA 1.188 64.337 63.100 0.082 0.000 0.908 131 P CB 0.138 31.866 31.700 0.046 0.000 0.791 132 E N -0.609 119.640 120.200 0.081 0.000 2.085 132 E HA -0.126 4.224 4.350 0.000 0.000 0.194 132 E C 2.093 178.738 176.600 0.076 0.000 0.994 132 E CA 1.091 57.531 56.400 0.067 0.000 0.801 132 E CB -1.070 28.653 29.700 0.039 0.000 0.743 132 E HN 0.090 nan 8.360 nan 0.000 0.453 133 V N 1.280 121.242 119.914 0.081 0.000 2.343 133 V HA -0.234 3.886 4.120 0.000 0.000 0.247 133 V C 2.179 178.349 176.094 0.126 0.000 1.051 133 V CA 1.767 64.117 62.300 0.083 0.000 1.036 133 V CB -0.662 31.205 31.823 0.073 0.000 0.654 133 V HN 0.144 nan 8.190 nan 0.000 0.451 134 F N 1.640 121.591 119.950 0.001 0.000 2.095 134 F HA -0.207 4.320 4.527 0.000 0.000 0.298 134 F C 2.646 178.523 175.800 0.129 0.000 1.104 134 F CA 2.305 60.321 58.000 0.027 0.000 1.232 134 F CB -0.456 38.530 39.000 -0.024 0.000 0.987 134 F HN -0.013 nan 8.300 nan 0.000 0.475 135 R N 0.490 120.993 120.500 0.005 0.000 2.073 135 R HA -0.148 4.192 4.340 0.000 0.000 0.234 135 R C 2.324 178.589 176.300 -0.059 0.000 1.134 135 R CA 1.505 57.565 56.100 -0.067 0.000 0.952 135 R CB -0.771 29.536 30.300 0.012 0.000 0.850 135 R HN 0.366 nan 8.270 nan 0.000 0.433 136 A N 1.318 124.129 122.820 -0.016 0.000 1.902 136 A HA -0.123 4.198 4.320 0.000 0.000 0.217 136 A C 2.265 179.842 177.584 -0.011 0.000 1.181 136 A CA 1.290 53.320 52.037 -0.012 0.000 0.623 136 A CB -0.573 18.433 19.000 0.009 0.000 0.818 136 A HN 0.370 nan 8.150 nan 0.000 0.443 137 L N -2.169 119.052 121.223 -0.004 0.000 2.017 137 L HA -0.220 4.120 4.340 0.000 0.000 0.208 137 L C 2.635 179.506 176.870 0.001 0.000 1.073 137 L CA 1.565 56.404 54.840 -0.001 0.000 0.745 137 L CB -0.501 41.572 42.059 0.023 0.000 0.894 137 L HN 0.732 nan 8.230 nan 0.000 0.432 138 W N 1.475 122.601 121.300 -0.290 0.000 2.354 138 W HA -0.179 4.481 4.660 0.000 0.000 0.315 138 W C 2.751 179.136 176.519 -0.224 0.000 1.206 138 W CA 1.440 58.606 57.345 -0.298 0.000 1.290 138 W CB -0.582 28.605 29.460 -0.454 0.000 1.152 138 W HN 0.019 nan 8.180 nan 0.000 0.489 139 R N -0.400 120.091 120.500 -0.015 0.000 2.083 139 R HA -0.193 4.147 4.340 0.000 0.000 0.237 139 R C 2.269 178.520 176.300 -0.083 0.000 1.137 139 R CA 1.785 57.816 56.100 -0.115 0.000 0.951 139 R CB -0.357 29.869 30.300 -0.122 0.000 0.851 139 R HN -0.063 nan 8.270 nan 0.000 0.434 140 R N 0.326 120.789 120.500 -0.061 0.000 2.081 140 R HA -0.036 4.304 4.340 0.000 0.000 0.235 140 R C 2.185 178.413 176.300 -0.121 0.000 1.131 140 R CA 1.563 57.622 56.100 -0.070 0.000 0.960 140 R CB -1.158 29.121 30.300 -0.034 0.000 0.856 140 R HN 0.267 nan 8.270 nan 0.000 0.436 141 A N 1.443 124.171 122.820 -0.152 0.000 1.948 141 A HA -0.211 4.109 4.320 0.000 0.000 0.220 141 A C 2.080 179.487 177.584 -0.295 0.000 1.177 141 A CA 1.766 53.638 52.037 -0.274 0.000 0.636 141 A CB -0.388 18.276 19.000 -0.560 0.000 0.815 141 A HN 0.431 nan 8.150 nan 0.000 0.449 142 E N -0.526 119.557 120.200 -0.195 0.000 2.072 142 E HA -0.023 4.327 4.350 0.000 0.000 0.190 142 E C 2.353 178.906 176.600 -0.079 0.000 0.982 142 E CA 0.765 57.149 56.400 -0.027 0.000 0.803 142 E CB -0.273 29.449 29.700 0.036 0.000 0.755 142 E HN 0.620 nan 8.360 nan 0.000 0.453 143 A N 1.150 123.902 122.820 -0.112 0.000 1.908 143 A HA -0.143 4.177 4.320 0.000 0.000 0.218 143 A C 2.033 179.515 177.584 -0.170 0.000 1.181 143 A CA 1.102 53.072 52.037 -0.112 0.000 0.627 143 A CB -0.488 18.456 19.000 -0.093 0.000 0.818 143 A HN 0.157 nan 8.150 nan 0.000 0.445 144 L N -0.766 120.279 121.223 -0.296 0.000 2.612 144 L HA 0.181 4.521 4.340 0.000 0.000 0.230 144 L C 1.582 178.057 176.870 -0.659 0.000 1.140 144 L CA 0.346 54.858 54.840 -0.548 0.000 0.896 144 L CB -0.383 41.154 42.059 -0.869 0.000 1.065 144 L HN 0.570 nan 8.230 nan 0.000 0.447 145 G N -0.189 108.426 108.800 -0.308 0.000 2.258 145 G HA2 -0.332 3.629 3.960 0.000 0.000 0.274 145 G HA3 -0.332 3.629 3.960 0.000 0.000 0.274 145 G C 0.048 174.987 174.900 0.065 0.000 1.021 145 G CA 0.008 45.052 45.100 -0.094 0.000 0.798 145 G HN 0.450 nan 8.290 nan 0.000 0.507 146 Y N 0.502 120.857 120.300 0.091 0.000 2.304 146 Y HA 0.367 4.917 4.550 0.000 0.000 0.328 146 Y C -1.316 174.722 175.900 0.230 0.000 1.123 146 Y CA -2.392 55.776 58.100 0.114 0.000 1.218 146 Y CB 1.124 39.627 38.460 0.071 0.000 1.207 146 Y HN 0.043 nan 8.280 nan 0.000 0.495 147 P HA -0.028 nan 4.420 nan 0.000 0.265 147 P C -1.082 176.376 177.300 0.263 0.000 1.222 147 P CA 0.793 64.037 63.100 0.240 0.000 0.767 147 P CB 0.289 32.068 31.700 0.132 0.000 0.801 148 H N 2.532 121.654 119.070 0.086 0.000 2.980 148 H HA 0.604 5.160 4.556 0.000 0.000 0.367 148 H C -0.630 174.706 175.328 0.014 0.000 1.206 148 H CA -1.108 54.971 56.048 0.052 0.000 1.126 148 H CB 1.423 31.224 29.762 0.065 0.000 1.838 148 H HN 0.206 nan 8.280 nan 0.000 0.552 149 R N 0.876 121.368 120.500 -0.013 0.000 2.711 149 R HA 0.569 4.909 4.340 0.000 0.000 0.284 149 R C -0.979 175.263 176.300 -0.097 0.000 0.968 149 R CA -1.180 54.864 56.100 -0.094 0.000 0.924 149 R CB 2.579 32.848 30.300 -0.052 0.000 1.162 149 R HN 0.460 nan 8.270 nan 0.000 0.465 150 V N 1.540 121.340 119.914 -0.190 0.000 2.407 150 V HA 0.799 4.920 4.120 0.000 0.000 0.291 150 V C 0.409 176.409 176.094 -0.158 0.000 1.018 150 V CA -0.320 61.819 62.300 -0.268 0.000 0.842 150 V CB 1.449 32.824 31.823 -0.746 0.000 0.996 150 V HN 1.014 nan 8.190 nan 0.000 0.426 151 G N 3.846 112.596 108.800 -0.082 0.000 2.435 151 G HA2 0.456 4.416 3.960 0.000 0.000 0.296 151 G HA3 0.456 4.416 3.960 0.000 0.000 0.296 151 G C -1.604 173.258 174.900 -0.064 0.000 1.240 151 G CA -0.893 44.165 45.100 -0.071 0.000 0.872 151 G HN 0.511 nan 8.290 nan 0.000 0.480 152 L N 0.648 121.828 121.223 -0.072 0.000 2.399 152 L HA 0.684 5.024 4.340 0.000 0.000 0.266 152 L C 0.690 177.479 176.870 -0.136 0.000 1.114 152 L CA -0.888 53.897 54.840 -0.093 0.000 0.804 152 L CB 1.398 43.401 42.059 -0.094 0.000 1.146 152 L HN 0.612 nan 8.230 nan 0.000 0.451 153 V N -0.767 119.043 119.914 -0.173 0.000 3.155 153 V HA 0.975 5.095 4.120 0.000 0.000 0.313 153 V C -0.538 175.323 176.094 -0.388 0.000 1.162 153 V CA -0.867 61.273 62.300 -0.268 0.000 1.048 153 V CB 1.789 33.498 31.823 -0.191 0.000 1.092 153 V HN 0.809 nan 8.190 nan 0.000 0.447 154 A N 0.642 123.125 122.820 -0.562 0.000 2.353 154 A HA 0.782 5.102 4.320 0.000 0.000 0.299 154 A C -0.218 177.135 177.584 -0.385 0.000 1.089 154 A CA -0.422 51.240 52.037 -0.625 0.000 0.736 154 A CB 1.269 19.583 19.000 -1.144 0.000 1.195 154 A HN 0.940 nan 8.150 nan 0.000 0.447 155 S N 2.186 117.732 115.700 -0.256 0.000 2.439 155 S HA 0.435 4.905 4.470 0.000 0.000 0.282 155 S C 0.078 174.627 174.600 -0.086 0.000 1.170 155 S CA -0.452 57.660 58.200 -0.148 0.000 1.054 155 S CB 0.452 63.566 63.200 -0.143 0.000 0.956 155 S HN 0.802 nan 8.310 nan 0.000 0.490 156 E N 2.020 122.210 120.200 -0.016 0.000 2.299 156 E HA 0.528 4.878 4.350 0.000 0.000 0.260 156 E C -0.828 175.790 176.600 0.029 0.000 0.944 156 E CA -0.887 55.528 56.400 0.024 0.000 0.815 156 E CB 0.917 30.663 29.700 0.076 0.000 1.252 156 E HN 0.209 nan 8.360 nan 0.000 0.418 157 D N 0.051 120.474 120.400 0.038 0.000 2.525 157 D HA 0.149 4.789 4.640 0.000 0.000 0.248 157 D C 0.080 176.420 176.300 0.067 0.000 1.000 157 D CA 0.635 54.661 54.000 0.043 0.000 0.923 157 D CB 0.375 41.196 40.800 0.035 0.000 1.101 157 D HN 0.494 nan 8.370 nan 0.000 0.493 158 A N 0.746 123.605 122.820 0.066 0.000 2.774 158 A HA 0.237 4.557 4.320 0.000 0.000 0.326 158 A C 0.621 178.249 177.584 0.074 0.000 1.478 158 A CA -0.526 51.565 52.037 0.090 0.000 1.099 158 A CB -0.901 18.146 19.000 0.078 0.000 1.148 158 A HN 0.119 nan 8.150 nan 0.000 0.519 159 F N 2.002 121.905 119.950 -0.078 0.000 2.115 159 F HA -0.277 4.250 4.527 0.000 0.000 0.300 159 F C 1.146 176.758 175.800 -0.314 0.000 1.092 159 F CA 2.174 60.038 58.000 -0.227 0.000 1.245 159 F CB -0.065 38.736 39.000 -0.332 0.000 0.995 159 F HN 0.667 nan 8.300 nan 0.000 0.481 160 Y N -0.843 119.574 120.300 0.196 0.000 2.461 160 Y HA 0.307 4.858 4.550 0.000 0.000 0.277 160 Y C 1.837 177.732 175.900 -0.009 0.000 1.182 160 Y CA 0.076 58.231 58.100 0.092 0.000 1.276 160 Y CB -0.210 38.343 38.460 0.154 0.000 1.087 160 Y HN 0.158 nan 8.280 nan 0.000 0.519 161 A N -0.834 122.024 122.820 0.064 0.000 1.997 161 A HA 0.052 4.372 4.320 0.000 0.000 0.212 161 A C 1.225 178.783 177.584 -0.044 0.000 1.178 161 A CA 0.330 52.384 52.037 0.028 0.000 0.698 161 A CB -0.462 18.561 19.000 0.038 0.000 0.842 161 A HN 0.124 nan 8.150 nan 0.000 0.458 162 T N 2.555 117.021 114.554 -0.146 0.000 2.817 162 T HA 0.367 4.717 4.350 0.000 0.000 0.295 162 T C 0.478 175.053 174.700 -0.208 0.000 0.958 162 T CA 0.683 62.646 62.100 -0.228 0.000 1.157 162 T CB 0.320 68.886 68.868 -0.503 0.000 0.898 162 T HN 0.561 nan 8.240 nan 0.000 0.536 163 T N 1.495 115.971 114.554 -0.130 0.000 2.928 163 T HA 0.376 4.726 4.350 0.000 0.000 0.284 163 T C -1.952 172.689 174.700 -0.098 0.000 1.008 163 T CA -2.326 59.719 62.100 -0.092 0.000 1.057 163 T CB 1.425 70.267 68.868 -0.042 0.000 1.018 163 T HN 0.084 nan 8.240 nan 0.000 0.493 164 P HA -0.109 nan 4.420 nan 0.000 0.218 164 P C 1.378 178.666 177.300 -0.020 0.000 1.146 164 P CA 0.859 63.927 63.100 -0.053 0.000 0.813 164 P CB 0.164 31.842 31.700 -0.036 0.000 0.778 165 E N 0.173 120.363 120.200 -0.017 0.000 2.047 165 E HA -0.201 4.149 4.350 0.000 0.000 0.191 165 E C 1.713 178.322 176.600 0.015 0.000 0.987 165 E CA 1.091 57.488 56.400 -0.004 0.000 0.799 165 E CB -0.146 29.547 29.700 -0.011 0.000 0.752 165 E HN 0.308 nan 8.360 nan 0.000 0.449 166 E N 0.309 120.521 120.200 0.020 0.000 2.110 166 E HA -0.157 4.193 4.350 0.000 0.000 0.193 166 E C 2.012 178.746 176.600 0.224 0.000 0.988 166 E CA 0.821 57.265 56.400 0.074 0.000 0.804 166 E CB -0.110 29.640 29.700 0.084 0.000 0.745 166 E HN 0.290 nan 8.360 nan 0.000 0.458 167 A N 1.601 124.505 122.820 0.138 0.000 1.902 167 A HA -0.194 4.126 4.320 0.000 0.000 0.217 167 A C 2.081 179.860 177.584 0.325 0.000 1.181 167 A CA 1.268 53.459 52.037 0.257 0.000 0.623 167 A CB -0.328 18.679 19.000 0.011 0.000 0.818 167 A HN 0.069 nan 8.150 nan 0.000 0.443 168 R N -0.719 119.877 120.500 0.161 0.000 2.092 168 R HA -0.024 4.316 4.340 0.000 0.000 0.231 168 R C 2.529 178.886 176.300 0.095 0.000 1.119 168 R CA 1.045 57.212 56.100 0.111 0.000 0.970 168 R CB -0.460 29.867 30.300 0.044 0.000 0.864 168 R HN 0.514 nan 8.270 nan 0.000 0.440 169 A N 0.546 123.405 122.820 0.065 0.000 1.883 169 A HA -0.203 4.117 4.320 0.000 0.000 0.217 169 A C 1.832 179.435 177.584 0.031 0.000 1.186 169 A CA 1.272 53.285 52.037 -0.039 0.000 0.624 169 A CB -0.968 17.968 19.000 -0.106 0.000 0.822 169 A HN 0.477 nan 8.150 nan 0.000 0.444 170 W N -0.443 120.983 121.300 0.210 0.000 2.363 170 W HA -0.067 4.593 4.660 0.000 0.000 0.296 170 W C 2.738 179.361 176.519 0.174 0.000 1.212 170 W CA 1.154 58.673 57.345 0.291 0.000 1.260 170 W CB -0.046 29.606 29.460 0.319 0.000 1.131 170 W HN 0.421 nan 8.180 nan 0.000 0.530 171 A N 0.493 123.520 122.820 0.346 0.000 1.978 171 A HA -0.211 4.109 4.320 0.000 0.000 0.220 171 A C 1.835 179.475 177.584 0.094 0.000 1.170 171 A CA 1.535 53.682 52.037 0.184 0.000 0.636 171 A CB -0.663 18.416 19.000 0.132 0.000 0.810 171 A HN 0.338 nan 8.150 nan 0.000 0.448 172 R N -2.156 118.342 120.500 -0.003 0.000 2.285 172 R HA -0.068 4.272 4.340 0.000 0.000 0.213 172 R C 0.734 176.933 176.300 -0.168 0.000 1.068 172 R CA 1.026 57.038 56.100 -0.147 0.000 1.004 172 R CB -0.217 29.899 30.300 -0.307 0.000 0.873 172 R HN 0.669 nan 8.270 nan 0.000 0.467 173 Y N -1.140 119.214 120.300 0.090 0.000 2.457 173 Y HA 0.250 4.800 4.550 0.000 0.000 0.263 173 Y C 1.594 177.551 175.900 0.095 0.000 1.164 173 Y CA 0.347 58.508 58.100 0.103 0.000 1.274 173 Y CB 1.011 39.582 38.460 0.185 0.000 1.097 173 Y HN 0.212 nan 8.280 nan 0.000 0.523 174 G N -0.634 108.281 108.800 0.193 0.000 2.201 174 G HA2 -0.242 3.718 3.960 0.000 0.000 0.212 174 G HA3 -0.242 3.718 3.960 0.000 0.000 0.212 174 G C -0.134 174.801 174.900 0.058 0.000 0.994 174 G CA -0.054 45.108 45.100 0.103 0.000 0.644 174 G HN 0.035 nan 8.290 nan 0.000 0.508 175 V N 2.232 122.196 119.914 0.083 0.000 2.529 175 V HA 0.315 4.435 4.120 0.000 0.000 0.292 175 V C 1.831 177.887 176.094 -0.064 0.000 1.028 175 V CA 0.621 62.879 62.300 -0.069 0.000 1.074 175 V CB 1.290 32.998 31.823 -0.191 0.000 0.958 175 V HN 0.315 nan 8.190 nan 0.000 0.481 176 L N 3.931 125.089 121.223 -0.108 0.000 2.253 176 L HA 0.490 4.830 4.340 0.000 0.000 0.205 176 L C 0.881 177.714 176.870 -0.062 0.000 1.078 176 L CA 0.951 55.756 54.840 -0.059 0.000 0.805 176 L CB -0.001 42.027 42.059 -0.052 0.000 0.963 176 L HN 0.769 nan 8.230 nan 0.000 0.459 177 A N -1.098 121.625 122.820 -0.162 0.000 2.610 177 A HA 0.659 4.979 4.320 0.000 0.000 0.291 177 A C -1.845 175.547 177.584 -0.319 0.000 1.086 177 A CA -0.478 51.495 52.037 -0.106 0.000 0.677 177 A CB 0.826 19.807 19.000 -0.032 0.000 1.278 177 A HN -0.076 nan 8.150 nan 0.000 0.414 178 F N 0.704 120.581 119.950 -0.121 0.000 2.450 178 F HA 0.640 5.167 4.527 0.000 0.000 0.332 178 F C 0.667 176.393 175.800 -0.123 0.000 1.093 178 F CA 0.154 58.059 58.000 -0.157 0.000 1.003 178 F CB 2.135 41.021 39.000 -0.189 0.000 1.151 178 F HN 0.834 nan 8.300 nan 0.000 0.474 179 E N 0.633 120.842 120.200 0.014 0.000 2.435 179 E HA 0.607 4.957 4.350 0.000 0.000 0.272 179 E C -1.235 175.361 176.600 -0.007 0.000 1.031 179 E CA -0.857 55.544 56.400 0.002 0.000 0.872 179 E CB 1.481 31.153 29.700 -0.047 0.000 1.588 179 E HN 0.481 nan 8.360 nan 0.000 0.460 180 M N 0.045 119.636 119.600 -0.015 0.000 3.002 180 M HA 0.390 4.870 4.480 0.000 0.000 0.398 180 M C -0.646 175.622 176.300 -0.053 0.000 1.366 180 M CA 0.190 55.478 55.300 -0.019 0.000 0.824 180 M CB 0.720 33.335 32.600 0.024 0.000 1.414 180 M HN 0.604 nan 8.290 nan 0.000 0.501 181 E N -0.229 119.912 120.200 -0.099 0.000 2.756 181 E HA 0.293 4.643 4.350 0.000 0.000 0.218 181 E C 1.766 178.235 176.600 -0.218 0.000 1.042 181 E CA 0.658 56.984 56.400 -0.122 0.000 1.713 181 E CB -0.112 29.530 29.700 -0.097 0.000 2.443 181 E HN 0.302 nan 8.360 nan 0.000 1.080 182 A N 1.501 124.127 122.820 -0.323 0.000 1.940 182 A HA -0.325 3.995 4.320 0.000 0.000 0.221 182 A C 2.262 179.383 177.584 -0.771 0.000 1.190 182 A CA 2.886 54.522 52.037 -0.668 0.000 0.647 182 A CB -1.196 17.387 19.000 -0.696 0.000 0.821 182 A HN 0.350 nan 8.150 nan 0.000 0.457 183 S N 0.223 115.684 115.700 -0.398 0.000 2.353 183 S HA -0.080 4.390 4.470 0.000 0.000 0.222 183 S C 2.126 176.666 174.600 -0.099 0.000 1.035 183 S CA 1.803 59.887 58.200 -0.194 0.000 1.025 183 S CB -0.960 62.185 63.200 -0.091 0.000 0.902 183 S HN 1.165 nan 8.310 nan 0.000 0.440 184 A N 1.545 124.307 122.820 -0.096 0.000 1.969 184 A HA 0.149 4.469 4.320 0.000 0.000 0.218 184 A C 2.234 179.778 177.584 -0.067 0.000 1.169 184 A CA 1.403 53.413 52.037 -0.046 0.000 0.635 184 A CB -0.826 18.174 19.000 -0.000 0.000 0.810 184 A HN 0.541 nan 8.150 nan 0.000 0.445 185 L N -0.714 120.438 121.223 -0.119 0.000 1.994 185 L HA -0.089 4.251 4.340 0.000 0.000 0.208 185 L C 2.295 179.237 176.870 0.119 0.000 1.071 185 L CA 1.967 56.775 54.840 -0.054 0.000 0.745 185 L CB -0.807 41.170 42.059 -0.137 0.000 0.892 185 L HN 0.475 nan 8.230 nan 0.000 0.431 186 F N -1.451 118.492 119.950 -0.010 0.000 2.126 186 F HA -0.270 4.257 4.527 0.000 0.000 0.299 186 F C 2.372 178.191 175.800 0.032 0.000 1.096 186 F CA 0.655 58.658 58.000 0.005 0.000 1.255 186 F CB -0.368 38.633 39.000 0.001 0.000 0.997 186 F HN 0.264 nan 8.300 nan 0.000 0.479 187 L N 0.816 122.173 121.223 0.223 0.000 1.994 187 L HA -0.195 4.145 4.340 0.000 0.000 0.208 187 L C 2.073 178.909 176.870 -0.057 0.000 1.071 187 L CA 1.694 56.583 54.840 0.082 0.000 0.745 187 L CB -0.946 41.065 42.059 -0.080 0.000 0.892 187 L HN 0.081 nan 8.230 nan 0.000 0.431 188 L N -0.582 120.569 121.223 -0.120 0.000 2.083 188 L HA -0.140 4.200 4.340 0.000 0.000 0.209 188 L C 2.516 179.351 176.870 -0.058 0.000 1.083 188 L CA 1.189 55.929 54.840 -0.168 0.000 0.752 188 L CB -1.341 40.611 42.059 -0.179 0.000 0.899 188 L HN 0.509 nan 8.230 nan 0.000 0.433 189 G N -0.386 108.426 108.800 0.020 0.000 2.440 189 G HA2 -0.257 3.703 3.960 0.000 0.000 0.218 189 G HA3 -0.257 3.703 3.960 0.000 0.000 0.218 189 G C 1.755 176.666 174.900 0.019 0.000 1.154 189 G CA 0.399 45.523 45.100 0.039 0.000 0.767 189 G HN 0.152 nan 8.290 nan 0.000 0.552 190 R N -0.189 120.330 120.500 0.031 0.000 2.062 190 R HA 0.177 4.517 4.340 0.000 0.000 0.229 190 R C 2.747 179.045 176.300 -0.002 0.000 1.128 190 R CA 0.897 57.014 56.100 0.029 0.000 0.960 190 R CB -0.827 29.526 30.300 0.088 0.000 0.855 190 R HN 0.428 nan 8.270 nan 0.000 0.432 191 M N 0.309 119.884 119.600 -0.041 0.000 2.117 191 M HA -0.115 4.365 4.480 0.000 0.000 0.262 191 M C 1.526 177.795 176.300 -0.051 0.000 1.065 191 M CA 1.556 56.814 55.300 -0.070 0.000 1.114 191 M CB -0.061 32.449 32.600 -0.149 0.000 1.361 191 M HN -0.130 nan 8.290 nan 0.000 0.408 192 R N 0.097 120.566 120.500 -0.050 0.000 2.317 192 R HA 0.228 4.568 4.340 0.000 0.000 0.208 192 R C 0.761 177.052 176.300 -0.015 0.000 0.914 192 R CA 0.499 56.579 56.100 -0.032 0.000 1.060 192 R CB -0.564 29.714 30.300 -0.035 0.000 1.015 192 R HN 0.555 nan 8.270 nan 0.000 0.498 193 G N 1.464 110.259 108.800 -0.010 0.000 2.272 193 G HA2 -0.250 3.710 3.960 0.000 0.000 0.280 193 G HA3 -0.250 3.710 3.960 0.000 0.000 0.280 193 G C 0.055 174.956 174.900 0.003 0.000 1.067 193 G CA 0.489 45.588 45.100 -0.002 0.000 0.902 193 G HN 0.284 nan 8.290 nan 0.000 0.500 194 V N -3.833 116.085 119.914 0.007 0.000 2.962 194 V HA 0.829 4.949 4.120 0.000 0.000 0.313 194 V C 0.289 176.396 176.094 0.021 0.000 1.099 194 V CA -2.009 60.299 62.300 0.014 0.000 0.971 194 V CB 1.721 33.553 31.823 0.016 0.000 1.028 194 V HN 0.340 nan 8.190 nan 0.000 0.430 195 R N 2.349 122.863 120.500 0.025 0.000 2.242 195 R HA 0.542 4.882 4.340 0.000 0.000 0.334 195 R C 0.235 176.564 176.300 0.047 0.000 1.071 195 R CA 0.170 56.286 56.100 0.028 0.000 0.922 195 R CB 0.912 31.229 30.300 0.027 0.000 1.023 195 R HN 1.037 nan 8.270 nan 0.000 0.458 196 T N -0.780 113.808 114.554 0.056 0.000 2.942 196 T HA 0.839 5.189 4.350 0.000 0.000 0.289 196 T C 0.250 175.020 174.700 0.116 0.000 1.044 196 T CA -0.828 61.343 62.100 0.118 0.000 1.023 196 T CB 2.385 71.381 68.868 0.213 0.000 1.123 196 T HN 0.593 nan 8.240 nan 0.000 0.512 197 G N -0.741 108.195 108.800 0.227 0.000 2.623 197 G HA2 0.779 4.739 3.960 0.000 0.000 0.290 197 G HA3 0.779 4.739 3.960 0.000 0.000 0.290 197 G C -1.746 173.375 174.900 0.369 0.000 1.437 197 G CA -0.555 44.694 45.100 0.249 0.000 0.798 197 G HN 1.260 nan 8.290 nan 0.000 0.488 198 A N -0.194 122.847 122.820 0.368 0.000 2.517 198 A HA 0.804 5.125 4.320 0.000 0.000 0.297 198 A C -1.501 176.185 177.584 0.170 0.000 1.050 198 A CA -0.482 51.703 52.037 0.247 0.000 0.694 198 A CB 1.537 20.668 19.000 0.218 0.000 1.277 198 A HN 1.479 nan 8.150 nan 0.000 0.400 199 I N 2.892 123.516 120.570 0.090 0.000 2.569 199 I HA 0.565 4.735 4.170 0.000 0.000 0.290 199 I C -1.764 174.371 176.117 0.031 0.000 1.088 199 I CA -0.889 60.449 61.300 0.063 0.000 1.047 199 I CB 1.338 39.368 38.000 0.051 0.000 1.237 199 I HN 0.530 nan 8.210 nan 0.000 0.421 200 L N 6.216 127.453 121.223 0.024 0.000 2.323 200 L HA 0.748 5.088 4.340 0.000 0.000 0.265 200 L C -0.134 176.740 176.870 0.006 0.000 1.012 200 L CA -0.805 54.039 54.840 0.006 0.000 0.820 200 L CB 1.587 43.642 42.059 -0.006 0.000 1.334 200 L HN 0.685 nan 8.230 nan 0.000 0.427 201 A N 1.503 124.321 122.820 -0.004 0.000 2.285 201 A HA 0.604 4.924 4.320 0.000 0.000 0.310 201 A C -0.393 177.186 177.584 -0.008 0.000 1.266 201 A CA -0.511 51.521 52.037 -0.008 0.000 0.832 201 A CB 0.874 19.860 19.000 -0.023 0.000 1.163 201 A HN 0.386 nan 8.150 nan 0.000 0.499 202 V N 3.348 123.261 119.914 -0.002 0.000 2.493 202 V HA 0.079 4.199 4.120 0.000 0.000 0.292 202 V C 1.440 177.531 176.094 -0.004 0.000 1.016 202 V CA 1.413 63.714 62.300 0.001 0.000 1.097 202 V CB 0.595 32.422 31.823 0.005 0.000 0.947 202 V HN 1.122 nan 8.190 nan 0.000 0.479 203 S N 2.844 118.543 115.700 -0.001 0.000 2.540 203 S HA 0.233 4.703 4.470 0.000 0.000 0.222 203 S C 0.277 174.879 174.600 0.003 0.000 1.008 203 S CA 0.075 58.272 58.200 -0.005 0.000 0.939 203 S CB -0.144 63.051 63.200 -0.007 0.000 0.865 203 S HN 0.993 nan 8.310 nan 0.000 0.499 204 N N -0.358 118.347 118.700 0.008 0.000 3.227 204 N HA 0.397 5.137 4.740 0.000 0.000 0.241 204 N C -1.729 173.782 175.510 0.000 0.000 1.480 204 N CA -1.223 51.831 53.050 0.006 0.000 0.886 204 N CB 0.737 39.233 38.487 0.016 0.000 1.406 204 N HN -0.021 nan 8.380 nan 0.000 0.514 205 R N 0.102 120.597 120.500 -0.008 0.000 2.532 205 R HA 0.449 4.789 4.340 0.000 0.000 0.295 205 R C -0.311 175.959 176.300 -0.049 0.000 0.968 205 R CA -1.095 54.998 56.100 -0.013 0.000 0.916 205 R CB 1.176 31.473 30.300 -0.005 0.000 1.124 205 R HN 0.487 nan 8.270 nan 0.000 0.463 206 I N 2.495 123.023 120.570 -0.071 0.000 2.828 206 I HA -0.084 4.086 4.170 0.000 0.000 0.292 206 I C 1.413 177.452 176.117 -0.130 0.000 1.206 206 I CA 1.507 62.709 61.300 -0.164 0.000 1.420 206 I CB 0.025 37.893 38.000 -0.220 0.000 1.368 206 I HN 1.086 nan 8.210 nan 0.000 0.556 207 G N 5.230 113.942 108.800 -0.145 0.000 2.184 207 G HA2 -0.177 3.783 3.960 0.000 0.000 0.206 207 G HA3 -0.177 3.783 3.960 0.000 0.000 0.206 207 G C 0.047 174.930 174.900 -0.028 0.000 0.995 207 G CA -0.479 44.575 45.100 -0.078 0.000 0.651 207 G HN 0.519 nan 8.290 nan 0.000 0.511 208 D N 0.892 121.277 120.400 -0.026 0.000 2.389 208 D HA 0.449 5.089 4.640 0.000 0.000 0.247 208 D C -0.604 175.724 176.300 0.046 0.000 1.128 208 D CA -1.123 52.883 54.000 0.009 0.000 0.884 208 D CB 1.406 42.211 40.800 0.008 0.000 1.194 208 D HN 0.120 nan 8.370 nan 0.000 0.441 209 P HA 0.004 nan 4.420 nan 0.000 0.218 209 P C -0.117 177.232 177.300 0.082 0.000 1.152 209 P CA 0.855 64.002 63.100 0.078 0.000 0.826 209 P CB 0.580 32.310 31.700 0.051 0.000 0.790 210 E N -1.465 118.768 120.200 0.054 0.000 2.378 210 E HA 0.458 4.808 4.350 0.000 0.000 0.265 210 E C -0.489 176.132 176.600 0.036 0.000 0.932 210 E CA -0.943 55.483 56.400 0.044 0.000 0.795 210 E CB 1.498 31.213 29.700 0.026 0.000 1.296 210 E HN -0.121 nan 8.360 nan 0.000 0.438 211 L N 1.017 122.255 121.223 0.025 0.000 2.454 211 L HA 0.497 4.837 4.340 0.000 0.000 0.256 211 L C 0.490 177.361 176.870 0.001 0.000 1.136 211 L CA -0.694 54.155 54.840 0.014 0.000 0.804 211 L CB 0.562 42.623 42.059 0.004 0.000 1.181 211 L HN 0.584 nan 8.230 nan 0.000 0.469 212 A N 1.023 123.840 122.820 -0.005 0.000 2.366 212 A HA 0.398 4.718 4.320 0.000 0.000 0.250 212 A C -2.228 175.345 177.584 -0.019 0.000 1.099 212 A CA -0.989 51.041 52.037 -0.011 0.000 0.794 212 A CB -0.814 18.179 19.000 -0.013 0.000 1.056 212 A HN 0.498 nan 8.150 nan 0.000 0.499 213 P HA 0.093 nan 4.420 nan 0.000 0.262 213 P C -1.925 175.355 177.300 -0.035 0.000 1.182 213 P CA -0.625 62.462 63.100 -0.022 0.000 0.761 213 P CB 0.034 31.724 31.700 -0.017 0.000 0.795 214 P HA -0.282 nan 4.420 nan 0.000 0.220 214 P C 1.356 178.615 177.300 -0.068 0.000 1.155 214 P CA 1.504 64.568 63.100 -0.060 0.000 0.880 214 P CB 0.198 31.867 31.700 -0.053 0.000 0.790 215 E N -0.713 119.458 120.200 -0.048 0.000 2.051 215 E HA -0.092 4.258 4.350 0.000 0.000 0.189 215 E C 1.847 178.420 176.600 -0.044 0.000 0.979 215 E CA 0.888 57.261 56.400 -0.044 0.000 0.803 215 E CB -1.135 28.549 29.700 -0.026 0.000 0.761 215 E HN -0.066 nan 8.360 nan 0.000 0.451 216 V N 1.161 121.053 119.914 -0.035 0.000 2.324 216 V HA -0.241 3.879 4.120 0.000 0.000 0.250 216 V C 2.476 178.544 176.094 -0.044 0.000 1.060 216 V CA 1.815 64.097 62.300 -0.032 0.000 1.042 216 V CB -0.704 31.105 31.823 -0.023 0.000 0.650 216 V HN 0.287 nan 8.190 nan 0.000 0.450 217 L N 0.000 121.190 121.223 -0.055 0.000 2.131 217 L HA -0.045 4.295 4.340 0.000 0.000 0.206 217 L C 2.377 179.186 176.870 -0.102 0.000 1.087 217 L CA 1.895 56.693 54.840 -0.069 0.000 0.767 217 L CB -0.780 41.238 42.059 -0.069 0.000 0.917 217 L HN 0.345 nan 8.230 nan 0.000 0.441 218 Q N -0.062 119.664 119.800 -0.123 0.000 2.170 218 Q HA -0.250 4.090 4.340 0.000 0.000 0.203 218 Q C 2.085 178.012 176.000 -0.122 0.000 0.976 218 Q CA 1.911 57.605 55.803 -0.182 0.000 0.858 218 Q CB -0.192 28.432 28.738 -0.191 0.000 0.907 218 Q HN 0.600 nan 8.270 nan 0.000 0.433 219 E N -0.863 119.292 120.200 -0.075 0.000 2.072 219 E HA -0.043 4.307 4.350 0.000 0.000 0.190 219 E C 1.820 178.370 176.600 -0.084 0.000 0.982 219 E CA 1.587 57.954 56.400 -0.055 0.000 0.803 219 E CB -0.943 28.726 29.700 -0.051 0.000 0.755 219 E HN 0.418 nan 8.360 nan 0.000 0.453 220 G N 0.312 109.061 108.800 -0.084 0.000 2.446 220 G HA2 -0.239 3.721 3.960 0.000 0.000 0.217 220 G HA3 -0.239 3.721 3.960 0.000 0.000 0.217 220 G C 1.732 176.590 174.900 -0.070 0.000 1.168 220 G CA 1.175 46.225 45.100 -0.084 0.000 0.771 220 G HN 0.260 nan 8.290 nan 0.000 0.551 221 V N 0.559 120.430 119.914 -0.072 0.000 2.392 221 V HA -0.169 3.951 4.120 0.000 0.000 0.249 221 V C 2.790 178.916 176.094 0.053 0.000 1.059 221 V CA 2.103 64.371 62.300 -0.054 0.000 1.051 221 V CB -0.466 31.257 31.823 -0.166 0.000 0.658 221 V HN 0.372 nan 8.190 nan 0.000 0.455 222 R N -0.036 120.533 120.500 0.114 0.000 2.075 222 R HA -0.112 4.228 4.340 0.000 0.000 0.232 222 R C 2.585 179.008 176.300 0.205 0.000 1.126 222 R CA 1.327 57.642 56.100 0.359 0.000 0.963 222 R CB -0.105 30.417 30.300 0.370 0.000 0.858 222 R HN 0.470 nan 8.270 nan 0.000 0.435 223 R N 0.141 120.623 120.500 -0.030 0.000 2.092 223 R HA -0.128 4.212 4.340 0.000 0.000 0.231 223 R C 2.375 178.696 176.300 0.034 0.000 1.119 223 R CA 1.564 57.550 56.100 -0.189 0.000 0.970 223 R CB -0.454 29.384 30.300 -0.771 0.000 0.864 223 R HN 0.343 nan 8.270 nan 0.000 0.440 224 M N 0.979 120.581 119.600 0.003 0.000 2.086 224 M HA -0.146 4.335 4.480 0.000 0.000 0.261 224 M C 1.967 178.258 176.300 -0.015 0.000 1.067 224 M CA 1.705 57.015 55.300 0.016 0.000 1.116 224 M CB 0.004 32.603 32.600 -0.001 0.000 1.348 224 M HN -0.052 nan 8.290 nan 0.000 0.407 225 V N 0.846 120.725 119.914 -0.058 0.000 2.407 225 V HA -0.257 3.863 4.120 0.000 0.000 0.248 225 V C 2.322 178.229 176.094 -0.312 0.000 1.055 225 V CA 2.294 64.441 62.300 -0.254 0.000 1.049 225 V CB -0.951 30.594 31.823 -0.462 0.000 0.662 225 V HN 0.617 nan 8.190 nan 0.000 0.455 226 E N 0.120 120.280 120.200 -0.067 0.000 2.028 226 E HA -0.188 4.162 4.350 0.000 0.000 0.191 226 E C 2.258 178.883 176.600 0.043 0.000 0.988 226 E CA 1.660 58.121 56.400 0.100 0.000 0.799 226 E CB -0.049 29.870 29.700 0.364 0.000 0.755 226 E HN 0.379 nan 8.360 nan 0.000 0.447 227 V N 1.335 121.307 119.914 0.095 0.000 2.392 227 V HA -0.297 3.823 4.120 0.000 0.000 0.249 227 V C 2.441 178.528 176.094 -0.011 0.000 1.059 227 V CA 1.905 64.240 62.300 0.058 0.000 1.051 227 V CB -0.745 31.127 31.823 0.082 0.000 0.658 227 V HN 0.459 nan 8.190 nan 0.000 0.455 228 A N -0.625 122.165 122.820 -0.049 0.000 1.930 228 A HA -0.110 4.210 4.320 0.000 0.000 0.217 228 A C 2.208 179.719 177.584 -0.123 0.000 1.175 228 A CA 1.571 53.567 52.037 -0.069 0.000 0.627 228 A CB -0.409 18.544 19.000 -0.079 0.000 0.815 228 A HN 0.495 nan 8.150 nan 0.000 0.443 229 L N -0.607 120.473 121.223 -0.239 0.000 1.988 229 L HA -0.164 4.176 4.340 0.000 0.000 0.207 229 L C 2.711 179.454 176.870 -0.212 0.000 1.071 229 L CA 1.344 55.938 54.840 -0.410 0.000 0.744 229 L CB -0.634 40.852 42.059 -0.955 0.000 0.893 229 L HN 0.341 nan 8.230 nan 0.000 0.433 230 E N 0.319 120.467 120.200 -0.085 0.000 2.097 230 E HA -0.263 4.087 4.350 0.000 0.000 0.196 230 E C 2.196 178.819 176.600 0.040 0.000 1.000 230 E CA 1.534 57.977 56.400 0.071 0.000 0.804 230 E CB -0.314 29.433 29.700 0.078 0.000 0.740 230 E HN 0.509 nan 8.360 nan 0.000 0.454 231 A N 1.407 124.229 122.820 0.004 0.000 1.858 231 A HA -0.159 4.161 4.320 0.000 0.000 0.216 231 A C 2.581 180.176 177.584 0.017 0.000 1.190 231 A CA 2.174 54.217 52.037 0.009 0.000 0.617 231 A CB -0.965 18.038 19.000 0.005 0.000 0.827 231 A HN 0.219 nan 8.150 nan 0.000 0.443 232 V N -2.683 117.236 119.914 0.008 0.000 2.867 232 V HA -0.134 3.986 4.120 0.000 0.000 0.260 232 V C 2.049 178.167 176.094 0.040 0.000 1.099 232 V CA 1.847 64.160 62.300 0.021 0.000 1.122 232 V CB -0.851 30.978 31.823 0.011 0.000 0.708 232 V HN 0.250 nan 8.190 nan 0.000 0.490 233 L N 0.502 121.760 121.223 0.057 0.000 2.395 233 L HA 0.114 4.454 4.340 0.000 0.000 0.218 233 L C 2.500 179.404 176.870 0.056 0.000 1.130 233 L CA 1.480 56.369 54.840 0.081 0.000 0.826 233 L CB -0.587 41.555 42.059 0.138 0.000 0.941 233 L HN 0.446 nan 8.230 nan 0.000 0.451 234 E N -1.857 118.368 120.200 0.042 0.000 2.452 234 E HA 0.090 4.440 4.350 0.000 0.000 0.197 234 E C 0.448 177.062 176.600 0.024 0.000 1.022 234 E CA -0.023 56.394 56.400 0.028 0.000 0.890 234 E CB 0.605 30.316 29.700 0.019 0.000 0.918 234 E HN 0.177 nan 8.360 nan 0.000 0.496 235 V N 0.000 119.931 119.914 0.028 0.000 2.409 235 V HA 0.000 4.120 4.120 0.000 0.000 0.244 235 V CA 0.000 62.316 62.300 0.026 0.000 1.235 235 V CB 0.000 31.841 31.823 0.030 0.000 1.184 235 V HN 0.000 nan 8.190 nan 0.000 0.556