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 1odj_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 0.000 174.574 174.600 -0.044 0.000 1.055 2 S CA 0.000 58.176 58.200 -0.040 0.000 1.107 2 S CB 0.000 63.161 63.200 -0.065 0.000 0.593 3 P HA 0.317 nan 4.420 nan 0.000 0.269 3 P C 1.020 178.298 177.300 -0.036 0.000 1.217 3 P CA -0.436 62.663 63.100 -0.003 0.000 0.783 3 P CB 0.369 32.087 31.700 0.030 0.000 0.898 4 I N 0.434 120.985 120.570 -0.032 0.000 2.163 4 I HA -0.262 3.908 4.170 -0.000 0.000 0.240 4 I C 1.735 177.707 176.117 -0.241 0.000 1.081 4 I CA 1.602 62.792 61.300 -0.183 0.000 1.353 4 I CB -0.436 37.397 38.000 -0.277 0.000 1.054 4 I HN 0.498 nan 8.210 nan 0.000 0.407 5 H N -0.350 118.784 119.070 0.106 0.000 2.320 5 H HA 0.132 4.688 4.556 -0.000 0.000 0.309 5 H C 0.598 176.068 175.328 0.237 0.000 1.057 5 H CA 0.340 56.519 56.048 0.218 0.000 1.374 5 H CB -0.300 29.544 29.762 0.137 0.000 1.421 5 H HN -0.048 nan 8.280 nan 0.000 0.532 6 V N 3.268 123.347 119.914 0.275 0.000 2.313 6 V HA 0.128 4.248 4.120 -0.000 0.000 0.252 6 V C 0.228 176.386 176.094 0.106 0.000 1.112 6 V CA -0.064 62.361 62.300 0.208 0.000 0.984 6 V CB -0.032 31.904 31.823 0.189 0.000 1.157 6 V HN 0.315 nan 8.190 nan 0.000 0.493 7 R N 3.599 124.137 120.500 0.064 0.000 3.701 7 R HA 0.524 4.864 4.340 -0.000 0.000 0.210 7 R C 0.306 176.533 176.300 -0.122 0.000 1.598 7 R CA 0.009 56.064 56.100 -0.075 0.000 1.427 7 R CB 0.422 30.626 30.300 -0.160 0.000 1.339 7 R HN 0.744 nan 8.270 nan 0.000 0.720 8 A N 1.793 124.538 122.820 -0.124 0.000 2.320 8 A HA 0.449 4.769 4.320 -0.000 0.000 0.334 8 A C -0.538 176.885 177.584 -0.268 0.000 1.147 8 A CA -0.772 51.151 52.037 -0.189 0.000 0.820 8 A CB 0.787 19.633 19.000 -0.257 0.000 1.218 8 A HN 0.479 nan 8.150 nan 0.000 0.482 9 H N 1.350 120.387 119.070 -0.055 0.000 2.505 9 H HA 0.338 4.894 4.556 -0.000 0.000 0.355 9 H C -2.158 173.127 175.328 -0.072 0.000 1.179 9 H CA -1.552 54.467 56.048 -0.049 0.000 1.343 9 H CB 0.650 30.394 29.762 -0.030 0.000 1.501 9 H HN 0.479 nan 8.280 nan 0.000 0.569 10 P HA -0.014 nan 4.420 nan 0.000 0.264 10 P C 0.756 178.058 177.300 0.003 0.000 1.193 10 P CA 0.879 63.989 63.100 0.016 0.000 0.763 10 P CB 0.533 32.245 31.700 0.020 0.000 0.810 11 G N 3.404 112.186 108.800 -0.030 0.000 2.195 11 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.246 11 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.246 11 G C 0.710 175.582 174.900 -0.047 0.000 0.984 11 G CA 0.257 45.340 45.100 -0.028 0.000 0.633 11 G HN 0.443 nan 8.290 nan 0.000 0.525 12 D N -0.038 120.302 120.400 -0.099 0.000 2.162 12 D HA 0.134 4.774 4.640 -0.000 0.000 0.203 12 D C 1.509 177.646 176.300 -0.271 0.000 0.967 12 D CA 1.032 54.939 54.000 -0.155 0.000 0.840 12 D CB 0.132 40.787 40.800 -0.243 0.000 0.972 12 D HN 0.384 nan 8.370 nan 0.000 0.482 13 V N 1.340 121.048 119.914 -0.344 0.000 2.465 13 V HA 0.521 4.641 4.120 -0.000 0.000 0.279 13 V C 0.620 176.668 176.094 -0.076 0.000 1.045 13 V CA -0.975 61.163 62.300 -0.270 0.000 0.938 13 V CB 1.258 32.900 31.823 -0.302 0.000 0.986 13 V HN 0.086 nan 8.190 nan 0.000 0.467 14 A N 3.408 126.231 122.820 0.005 0.000 2.280 14 A HA 0.373 4.693 4.320 -0.000 0.000 0.268 14 A C 1.117 178.717 177.584 0.026 0.000 1.111 14 A CA -0.191 51.864 52.037 0.030 0.000 0.814 14 A CB 0.191 19.230 19.000 0.065 0.000 1.093 14 A HN 0.919 nan 8.150 nan 0.000 0.498 15 E N -0.194 120.024 120.200 0.029 0.000 2.072 15 E HA -0.113 4.237 4.350 -0.000 0.000 0.191 15 E C 0.198 176.820 176.600 0.037 0.000 0.985 15 E CA 0.862 57.278 56.400 0.028 0.000 0.801 15 E CB 0.020 29.736 29.700 0.027 0.000 0.750 15 E HN 0.516 nan 8.360 nan 0.000 0.452 16 R N 0.636 121.163 120.500 0.046 0.000 2.368 16 R HA 0.417 4.757 4.340 -0.000 0.000 0.302 16 R C -0.919 175.416 176.300 0.059 0.000 1.002 16 R CA -0.358 55.771 56.100 0.049 0.000 0.929 16 R CB 1.902 32.232 30.300 0.049 0.000 1.073 16 R HN -0.140 nan 8.270 nan 0.000 0.464 17 V N 4.130 124.077 119.914 0.056 0.000 2.932 17 V HA 0.376 4.496 4.120 -0.000 0.000 0.307 17 V C -0.504 175.622 176.094 0.053 0.000 1.147 17 V CA -0.911 61.432 62.300 0.072 0.000 0.951 17 V CB 2.299 34.177 31.823 0.092 0.000 1.031 17 V HN 0.574 nan 8.190 nan 0.000 0.426 18 L N 4.280 125.532 121.223 0.049 0.000 2.322 18 L HA 0.611 4.950 4.340 -0.000 0.000 0.279 18 L C -0.768 176.133 176.870 0.051 0.000 1.036 18 L CA -0.637 54.218 54.840 0.024 0.000 0.807 18 L CB 1.796 43.843 42.059 -0.021 0.000 1.226 18 L HN 0.472 nan 8.230 nan 0.000 0.433 19 L N 5.024 126.271 121.223 0.040 0.000 2.435 19 L HA 0.365 4.705 4.340 -0.000 0.000 0.253 19 L C -2.286 174.602 176.870 0.031 0.000 1.087 19 L CA -1.540 53.327 54.840 0.045 0.000 0.950 19 L CB 1.113 43.195 42.059 0.038 0.000 1.304 19 L HN 0.296 nan 8.230 nan 0.000 0.453 20 P HA 0.166 nan 4.420 nan 0.000 0.282 20 P C 0.562 177.875 177.300 0.021 0.000 1.249 20 P CA -0.289 62.831 63.100 0.034 0.000 0.806 20 P CB 2.131 33.868 31.700 0.062 0.000 0.984 21 G N 1.106 109.903 108.800 -0.006 0.000 2.623 21 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.214 21 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.214 21 G C 0.225 175.100 174.900 -0.041 0.000 1.138 21 G CA 0.313 45.397 45.100 -0.026 0.000 0.794 21 G HN 0.497 nan 8.290 nan 0.000 0.535 22 D N 0.190 120.571 120.400 -0.032 0.000 2.317 22 D HA 0.275 4.915 4.640 -0.000 0.000 0.234 22 D C -1.063 175.219 176.300 -0.029 0.000 1.112 22 D CA -2.603 51.364 54.000 -0.056 0.000 0.840 22 D CB 2.250 43.016 40.800 -0.056 0.000 1.078 22 D HN -0.034 nan 8.370 nan 0.000 0.486 23 P HA -0.076 nan 4.420 nan 0.000 0.219 23 P C 1.272 178.604 177.300 0.054 0.000 1.146 23 P CA 0.747 63.794 63.100 -0.089 0.000 0.808 23 P CB 0.262 31.623 31.700 -0.565 0.000 0.779 24 G N 0.579 109.359 108.800 -0.034 0.000 2.408 24 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.217 24 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.217 24 G C 1.899 176.899 174.900 0.167 0.000 1.150 24 G CA 0.689 45.838 45.100 0.081 0.000 0.776 24 G HN 0.258 nan 8.290 nan 0.000 0.542 25 R N 0.650 121.221 120.500 0.118 0.000 2.092 25 R HA 0.175 4.515 4.340 -0.000 0.000 0.231 25 R C 2.740 179.195 176.300 0.260 0.000 1.119 25 R CA 1.548 57.759 56.100 0.184 0.000 0.970 25 R CB -0.441 29.914 30.300 0.091 0.000 0.864 25 R HN 0.238 nan 8.270 nan 0.000 0.440 26 A N 0.834 123.775 122.820 0.203 0.000 1.845 26 A HA -0.239 4.081 4.320 -0.000 0.000 0.215 26 A C 2.107 179.679 177.584 -0.020 0.000 1.195 26 A CA 1.749 53.891 52.037 0.175 0.000 0.616 26 A CB -0.863 18.330 19.000 0.323 0.000 0.832 26 A HN 0.594 nan 8.150 nan 0.000 0.443 27 E N -1.510 118.714 120.200 0.041 0.000 2.070 27 E HA -0.285 4.065 4.350 -0.000 0.000 0.197 27 E C 1.831 178.348 176.600 -0.139 0.000 1.004 27 E CA 1.701 57.932 56.400 -0.282 0.000 0.805 27 E CB -0.331 29.503 29.700 0.223 0.000 0.744 27 E HN 0.755 nan 8.360 nan 0.000 0.451 28 W N 1.288 122.556 121.300 -0.053 0.000 2.335 28 W HA -0.202 4.458 4.660 -0.000 0.000 0.311 28 W C 1.876 178.408 176.519 0.021 0.000 1.213 28 W CA 1.994 59.335 57.345 -0.007 0.000 1.274 28 W CB -0.389 29.093 29.460 0.036 0.000 1.148 28 W HN 0.071 nan 8.180 nan 0.000 0.498 29 I N 0.815 121.408 120.570 0.038 0.000 2.163 29 I HA -0.347 3.823 4.170 -0.000 0.000 0.243 29 I C 2.648 178.671 176.117 -0.157 0.000 1.085 29 I CA 1.642 62.877 61.300 -0.109 0.000 1.347 29 I CB -1.297 36.713 38.000 0.018 0.000 1.044 29 I HN 0.129 nan 8.210 nan 0.000 0.408 30 A N 0.890 123.565 122.820 -0.243 0.000 1.908 30 A HA -0.230 4.090 4.320 -0.000 0.000 0.218 30 A C 2.238 179.686 177.584 -0.227 0.000 1.181 30 A CA 1.797 53.668 52.037 -0.277 0.000 0.627 30 A CB -0.446 18.146 19.000 -0.679 0.000 0.818 30 A HN 0.386 nan 8.150 nan 0.000 0.445 31 K N -1.158 119.071 120.400 -0.284 0.000 2.426 31 K HA 0.069 4.389 4.320 -0.000 0.000 0.193 31 K C 1.369 177.790 176.600 -0.300 0.000 1.028 31 K CA 1.014 57.163 56.287 -0.229 0.000 1.047 31 K CB 0.136 32.531 32.500 -0.174 0.000 0.821 31 K HN 0.469 nan 8.250 nan 0.000 0.513 32 T N -0.181 114.101 114.554 -0.453 0.000 3.004 32 T HA 0.081 4.431 4.350 -0.000 0.000 0.243 32 T C 1.106 175.440 174.700 -0.609 0.000 1.020 32 T CA 0.676 62.371 62.100 -0.674 0.000 1.145 32 T CB -0.008 68.090 68.868 -1.283 0.000 0.876 32 T HN 0.038 nan 8.240 nan 0.000 0.449 33 F N 0.822 120.590 119.950 -0.305 0.000 2.622 33 F HA 0.454 4.981 4.527 -0.000 0.000 0.288 33 F C 0.757 176.563 175.800 0.011 0.000 1.120 33 F CA -0.335 57.601 58.000 -0.107 0.000 1.423 33 F CB -0.141 38.786 39.000 -0.121 0.000 1.127 33 F HN -0.031 nan 8.300 nan 0.000 0.588 34 L N 1.038 122.335 121.223 0.123 0.000 2.395 34 L HA 0.267 4.607 4.340 -0.000 0.000 0.269 34 L C 0.199 177.100 176.870 0.051 0.000 1.133 34 L CA -0.312 54.595 54.840 0.112 0.000 0.812 34 L CB 0.736 42.840 42.059 0.074 0.000 1.125 34 L HN 0.057 nan 8.230 nan 0.000 0.452 35 Q N 2.001 121.839 119.800 0.063 0.000 2.271 35 Q HA 0.168 4.508 4.340 -0.000 0.000 0.258 35 Q C -0.621 175.398 176.000 0.032 0.000 0.936 35 Q CA -0.541 55.278 55.803 0.027 0.000 0.909 35 Q CB 0.852 29.602 28.738 0.020 0.000 1.253 35 Q HN 0.580 nan 8.270 nan 0.000 0.440 36 N N 2.263 120.973 118.700 0.017 0.000 2.727 36 N HA -0.135 4.605 4.740 -0.000 0.000 0.251 36 N C -2.756 172.782 175.510 0.046 0.000 1.040 36 N CA 0.358 53.423 53.050 0.026 0.000 0.712 36 N CB -1.096 37.408 38.487 0.028 0.000 0.912 36 N HN 0.471 nan 8.380 nan 0.000 0.545 37 P HA 0.080 nan 4.420 nan 0.000 0.266 37 P C -0.097 177.269 177.300 0.110 0.000 1.195 37 P CA 0.349 63.498 63.100 0.081 0.000 0.768 37 P CB 0.587 32.304 31.700 0.028 0.000 0.838 38 R N 2.283 122.877 120.500 0.157 0.000 2.569 38 R HA 0.265 4.605 4.340 -0.000 0.000 0.293 38 R C -0.620 175.714 176.300 0.057 0.000 1.186 38 R CA -0.764 55.400 56.100 0.107 0.000 0.956 38 R CB 0.836 31.187 30.300 0.085 0.000 1.196 38 R HN 0.334 nan 8.270 nan 0.000 0.444 39 R N 3.672 124.116 120.500 -0.092 0.000 2.458 39 R HA -0.046 4.294 4.340 -0.000 0.000 0.303 39 R C -0.001 176.124 176.300 -0.291 0.000 1.013 39 R CA 0.396 56.188 56.100 -0.513 0.000 1.026 39 R CB 0.341 30.220 30.300 -0.701 0.000 0.948 39 R HN 0.690 nan 8.270 nan 0.000 0.417 40 Y N 1.541 121.713 120.300 -0.214 0.000 2.458 40 Y HA 0.421 4.971 4.550 -0.000 0.000 0.256 40 Y C -0.609 175.223 175.900 -0.113 0.000 1.159 40 Y CA -1.126 56.908 58.100 -0.110 0.000 1.261 40 Y CB 0.188 38.618 38.460 -0.050 0.000 1.119 40 Y HN 0.547 nan 8.280 nan 0.000 0.524 41 N N 0.409 118.995 118.700 -0.190 0.000 2.647 41 N HA 0.172 4.912 4.740 -0.000 0.000 0.259 41 N C -1.164 174.280 175.510 -0.110 0.000 1.098 41 N CA 0.048 53.077 53.050 -0.035 0.000 0.984 41 N CB 1.288 39.877 38.487 0.171 0.000 1.683 41 N HN 0.200 nan 8.380 nan 0.000 0.501 42 D N 0.222 120.636 120.400 0.023 0.000 2.525 42 D HA 0.006 4.646 4.640 -0.000 0.000 0.231 42 D C -0.276 176.170 176.300 0.242 0.000 1.216 42 D CA -0.040 54.042 54.000 0.137 0.000 0.813 42 D CB -0.541 40.247 40.800 -0.020 0.000 1.108 42 D HN 0.621 nan 8.370 nan 0.000 0.524 43 H N 2.590 121.718 119.070 0.098 0.000 3.070 43 H HA 0.083 4.639 4.556 -0.000 0.000 0.313 43 H C 0.192 175.582 175.328 0.104 0.000 0.997 43 H CA 0.881 56.979 56.048 0.084 0.000 1.438 43 H CB 0.335 30.127 29.762 0.050 0.000 1.455 43 H HN 0.071 nan 8.280 nan 0.000 0.575 44 R N 2.856 123.142 120.500 -0.356 0.000 3.656 44 R HA -0.192 4.148 4.340 -0.000 0.000 0.297 44 R C 1.090 177.328 176.300 -0.104 0.000 1.166 44 R CA 0.702 56.639 56.100 -0.272 0.000 0.799 44 R CB -1.879 28.234 30.300 -0.312 0.000 1.285 44 R HN 1.107 nan 8.270 nan 0.000 0.477 45 G N 0.067 108.849 108.800 -0.030 0.000 2.186 45 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.266 45 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.266 45 G C 0.300 175.106 174.900 -0.157 0.000 0.982 45 G CA 0.667 45.673 45.100 -0.156 0.000 0.670 45 G HN 0.350 nan 8.290 nan 0.000 0.533 46 L N 0.646 121.893 121.223 0.039 0.000 2.437 46 L HA 0.248 4.588 4.340 -0.000 0.000 0.243 46 L C 0.492 177.490 176.870 0.214 0.000 1.346 46 L CA -1.058 53.833 54.840 0.085 0.000 1.233 46 L CB -0.330 41.787 42.059 0.096 0.000 1.436 46 L HN 0.124 nan 8.230 nan 0.000 0.416 47 W N 1.702 122.974 121.300 -0.046 0.000 2.347 47 W HA 0.288 4.948 4.660 -0.000 0.000 0.333 47 W C 0.887 177.265 176.519 -0.235 0.000 1.383 47 W CA -0.690 56.569 57.345 -0.143 0.000 1.283 47 W CB 0.287 29.758 29.460 0.019 0.000 1.253 47 W HN 0.265 nan 8.180 nan 0.000 0.563 48 G N 3.564 112.075 108.800 -0.481 0.000 2.643 48 G HA2 0.652 4.612 3.960 -0.000 0.000 0.305 48 G HA3 0.652 4.612 3.960 -0.000 0.000 0.305 48 G C -2.183 171.868 174.900 -1.415 0.000 1.387 48 G CA -0.555 44.033 45.100 -0.854 0.000 0.982 48 G HN 0.250 nan 8.290 nan 0.000 0.501 49 Y N 0.097 120.088 120.300 -0.516 0.000 2.536 49 Y HA 0.729 5.279 4.550 -0.000 0.000 0.347 49 Y C 0.329 176.280 175.900 0.085 0.000 1.000 49 Y CA -0.957 57.006 58.100 -0.228 0.000 1.051 49 Y CB 2.975 41.381 38.460 -0.090 0.000 1.259 49 Y HN 0.421 nan 8.280 nan 0.000 0.468 50 T N 1.528 116.278 114.554 0.326 0.000 2.949 50 T HA 0.655 5.005 4.350 -0.000 0.000 0.300 50 T C -0.025 174.792 174.700 0.194 0.000 0.988 50 T CA -0.733 61.540 62.100 0.288 0.000 0.993 50 T CB 1.220 70.277 68.868 0.316 0.000 0.984 50 T HN 0.991 nan 8.240 nan 0.000 0.442 51 G N 1.976 110.870 108.800 0.157 0.000 3.183 51 G HA2 0.834 4.794 3.960 -0.000 0.000 0.247 51 G HA3 0.834 4.794 3.960 -0.000 0.000 0.247 51 G C -1.565 173.404 174.900 0.114 0.000 1.211 51 G CA -0.731 44.440 45.100 0.119 0.000 0.835 51 G HN 0.623 nan 8.290 nan 0.000 0.604 52 L N -0.327 120.961 121.223 0.108 0.000 2.370 52 L HA 0.515 4.855 4.340 -0.000 0.000 0.266 52 L C -1.694 175.280 176.870 0.173 0.000 1.002 52 L CA -0.952 53.956 54.840 0.114 0.000 0.818 52 L CB 2.645 44.742 42.059 0.064 0.000 1.325 52 L HN 0.558 nan 8.230 nan 0.000 0.418 53 Y N 2.884 123.208 120.300 0.039 0.000 2.363 53 Y HA 0.278 4.828 4.550 -0.000 0.000 0.325 53 Y C -0.165 175.756 175.900 0.034 0.000 0.984 53 Y CA -1.258 56.869 58.100 0.045 0.000 1.248 53 Y CB 0.776 39.266 38.460 0.050 0.000 1.116 53 Y HN 0.551 nan 8.280 nan 0.000 0.470 54 K N 4.752 124.904 120.400 -0.413 0.000 3.257 54 K HA -0.245 4.075 4.320 -0.000 0.000 0.270 54 K C 1.039 177.559 176.600 -0.132 0.000 0.984 54 K CA 0.938 57.025 56.287 -0.333 0.000 0.739 54 K CB -1.525 30.680 32.500 -0.491 0.000 1.351 54 K HN 1.294 nan 8.250 nan 0.000 0.463 55 G N -1.409 107.351 108.800 -0.068 0.000 2.377 55 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.250 55 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.250 55 G C 0.320 175.229 174.900 0.015 0.000 1.039 55 G CA 0.218 45.306 45.100 -0.020 0.000 0.625 55 G HN 0.314 nan 8.290 nan 0.000 0.526 56 V N 3.176 123.110 119.914 0.034 0.000 2.530 56 V HA 0.411 4.531 4.120 -0.000 0.000 0.282 56 V C -1.557 174.597 176.094 0.101 0.000 1.048 56 V CA -1.143 61.200 62.300 0.071 0.000 0.997 56 V CB 1.378 33.260 31.823 0.098 0.000 0.987 56 V HN 0.135 nan 8.190 nan 0.000 0.477 57 P HA 0.286 nan 4.420 nan 0.000 0.271 57 P C -0.933 176.428 177.300 0.101 0.000 1.216 57 P CA 0.179 63.331 63.100 0.086 0.000 0.771 57 P CB 0.724 32.463 31.700 0.064 0.000 0.864 58 V N 2.638 122.621 119.914 0.115 0.000 2.969 58 V HA 0.381 4.501 4.120 -0.000 0.000 0.304 58 V C -0.441 175.732 176.094 0.131 0.000 1.192 58 V CA -0.486 61.879 62.300 0.107 0.000 0.962 58 V CB 2.535 34.416 31.823 0.097 0.000 1.045 58 V HN 0.392 nan 8.190 nan 0.000 0.428 59 S N 1.901 117.685 115.700 0.139 0.000 2.568 59 S HA 0.836 5.306 4.470 -0.000 0.000 0.302 59 S C -0.768 173.939 174.600 0.178 0.000 1.082 59 S CA -0.697 57.632 58.200 0.215 0.000 1.009 59 S CB 2.136 65.503 63.200 0.279 0.000 1.069 59 S HN 0.512 nan 8.310 nan 0.000 0.500 60 V N 2.604 122.647 119.914 0.214 0.000 2.487 60 V HA 0.616 4.736 4.120 -0.000 0.000 0.298 60 V C -0.706 175.522 176.094 0.223 0.000 1.028 60 V CA -0.589 61.816 62.300 0.176 0.000 0.860 60 V CB 1.512 33.424 31.823 0.147 0.000 0.991 60 V HN 0.803 nan 8.190 nan 0.000 0.427 61 Q N 2.689 122.600 119.800 0.186 0.000 2.290 61 Q HA 0.446 4.786 4.340 -0.000 0.000 0.269 61 Q C -0.508 175.576 176.000 0.141 0.000 1.016 61 Q CA -0.223 55.689 55.803 0.182 0.000 0.754 61 Q CB 1.939 30.808 28.738 0.219 0.000 1.247 61 Q HN 0.790 nan 8.270 nan 0.000 0.451 62 T N 3.111 117.753 114.554 0.145 0.000 2.902 62 T HA 0.129 4.479 4.350 -0.000 0.000 0.301 62 T C 1.086 175.821 174.700 0.057 0.000 1.012 62 T CA 0.880 63.036 62.100 0.094 0.000 1.151 62 T CB 0.569 69.484 68.868 0.080 0.000 0.946 62 T HN 0.762 nan 8.240 nan 0.000 0.542 63 T N 0.165 114.734 114.554 0.025 0.000 3.014 63 T HA 0.472 4.822 4.350 -0.000 0.000 0.250 63 T C 1.150 175.836 174.700 -0.023 0.000 1.060 63 T CA 0.248 62.352 62.100 0.006 0.000 1.040 63 T CB -0.197 68.670 68.868 -0.002 0.000 0.971 63 T HN 1.153 nan 8.240 nan 0.000 0.497 64 G N 1.547 110.323 108.800 -0.039 0.000 2.760 64 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.246 64 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.246 64 G C -0.612 174.250 174.900 -0.064 0.000 1.359 64 G CA -0.456 44.606 45.100 -0.063 0.000 0.861 64 G HN 0.572 nan 8.290 nan 0.000 0.541 65 M N 1.061 120.617 119.600 -0.075 0.000 2.264 65 M HA 0.574 5.054 4.480 -0.000 0.000 0.352 65 M C 0.696 176.962 176.300 -0.056 0.000 1.173 65 M CA 0.882 56.137 55.300 -0.074 0.000 1.075 65 M CB 1.376 33.914 32.600 -0.103 0.000 1.621 65 M HN 2.498 nan 8.290 nan 0.000 0.457 66 G N 1.023 109.797 108.800 -0.044 0.000 2.650 66 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.686 66 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.686 66 G C 0.235 175.117 174.900 -0.031 0.000 1.205 66 G CA -0.313 44.769 45.100 -0.030 0.000 0.781 66 G HN 0.833 nan 8.290 nan 0.000 0.648 67 T N -1.441 113.099 114.554 -0.023 0.000 2.867 67 T HA 0.028 4.377 4.350 -0.000 0.000 0.268 67 T C 0.048 174.744 174.700 -0.007 0.000 1.057 67 T CA 2.002 64.093 62.100 -0.015 0.000 1.136 67 T CB -0.627 68.238 68.868 -0.005 0.000 0.874 67 T HN 0.395 nan 8.240 nan 0.000 0.466 68 P HA -0.033 nan 4.420 nan 0.000 0.218 68 P C 2.006 179.277 177.300 -0.048 0.000 1.149 68 P CA 0.996 64.076 63.100 -0.034 0.000 0.817 68 P CB -0.156 31.519 31.700 -0.042 0.000 0.785 69 S N -0.709 114.960 115.700 -0.051 0.000 2.329 69 S HA -0.078 4.392 4.470 -0.000 0.000 0.215 69 S C 2.041 176.608 174.600 -0.057 0.000 1.031 69 S CA 1.216 59.374 58.200 -0.069 0.000 0.985 69 S CB -1.172 61.992 63.200 -0.060 0.000 0.917 69 S HN 0.037 nan 8.310 nan 0.000 0.441 70 A N 1.727 124.526 122.820 -0.036 0.000 1.917 70 A HA 0.009 4.329 4.320 -0.000 0.000 0.219 70 A C 2.453 180.034 177.584 -0.005 0.000 1.182 70 A CA 2.232 54.256 52.037 -0.021 0.000 0.633 70 A CB -1.506 17.477 19.000 -0.028 0.000 0.819 70 A HN 0.822 nan 8.150 nan 0.000 0.448 71 A N -0.229 122.599 122.820 0.013 0.000 1.908 71 A HA -0.139 4.181 4.320 -0.000 0.000 0.218 71 A C 2.150 179.762 177.584 0.047 0.000 1.181 71 A CA 1.643 53.719 52.037 0.066 0.000 0.627 71 A CB -0.593 18.497 19.000 0.149 0.000 0.818 71 A HN 0.535 nan 8.150 nan 0.000 0.445 72 I N -0.679 119.878 120.570 -0.020 0.000 2.252 72 I HA -0.197 3.973 4.170 -0.000 0.000 0.245 72 I C 2.322 178.417 176.117 -0.036 0.000 1.102 72 I CA 1.146 62.399 61.300 -0.079 0.000 1.385 72 I CB -0.255 37.571 38.000 -0.290 0.000 1.064 72 I HN 0.164 nan 8.210 nan 0.000 0.414 73 V N 0.273 120.172 119.914 -0.024 0.000 2.427 73 V HA -0.198 3.922 4.120 -0.000 0.000 0.248 73 V C 2.374 178.494 176.094 0.044 0.000 1.051 73 V CA 1.215 63.532 62.300 0.028 0.000 1.048 73 V CB -0.118 31.727 31.823 0.036 0.000 0.666 73 V HN 0.219 nan 8.190 nan 0.000 0.456 74 V N -0.299 119.634 119.914 0.031 0.000 2.307 74 V HA -0.192 3.928 4.120 -0.000 0.000 0.245 74 V C 2.569 178.681 176.094 0.030 0.000 1.045 74 V CA 1.760 64.079 62.300 0.031 0.000 1.024 74 V CB -0.560 31.275 31.823 0.020 0.000 0.651 74 V HN 0.563 nan 8.190 nan 0.000 0.449 75 E N -0.048 120.172 120.200 0.033 0.000 2.085 75 E HA -0.277 4.073 4.350 -0.000 0.000 0.194 75 E C 2.184 178.810 176.600 0.044 0.000 0.994 75 E CA 1.537 57.960 56.400 0.038 0.000 0.801 75 E CB -0.097 29.644 29.700 0.067 0.000 0.743 75 E HN 0.686 nan 8.360 nan 0.000 0.453 76 E N 0.292 120.525 120.200 0.056 0.000 2.112 76 E HA -0.046 4.304 4.350 -0.000 0.000 0.190 76 E C 2.286 178.911 176.600 0.042 0.000 0.979 76 E CA 0.272 56.709 56.400 0.062 0.000 0.814 76 E CB 0.084 29.842 29.700 0.096 0.000 0.762 76 E HN 0.139 nan 8.360 nan 0.000 0.460 77 L N 0.141 121.390 121.223 0.044 0.000 2.027 77 L HA -0.170 4.170 4.340 -0.000 0.000 0.206 77 L C 2.363 179.242 176.870 0.016 0.000 1.074 77 L CA 0.701 55.560 54.840 0.031 0.000 0.745 77 L CB -0.366 41.724 42.059 0.052 0.000 0.898 77 L HN 0.078 nan 8.230 nan 0.000 0.433 78 V N -0.405 119.522 119.914 0.021 0.000 2.407 78 V HA -0.246 3.874 4.120 -0.000 0.000 0.248 78 V C 2.650 178.749 176.094 0.009 0.000 1.055 78 V CA 1.456 63.764 62.300 0.014 0.000 1.049 78 V CB -0.687 31.143 31.823 0.011 0.000 0.662 78 V HN 0.405 nan 8.190 nan 0.000 0.455 79 R N -0.306 120.201 120.500 0.012 0.000 2.235 79 R HA 0.044 4.384 4.340 -0.000 0.000 0.213 79 R C 1.890 178.191 176.300 0.001 0.000 1.059 79 R CA 1.028 57.134 56.100 0.010 0.000 0.997 79 R CB -0.532 29.779 30.300 0.019 0.000 0.884 79 R HN 0.480 nan 8.270 nan 0.000 0.462 80 L N -1.666 119.553 121.223 -0.007 0.000 2.446 80 L HA 0.136 4.476 4.340 -0.000 0.000 0.219 80 L C 1.262 178.116 176.870 -0.026 0.000 1.116 80 L CA 0.864 55.688 54.840 -0.026 0.000 0.844 80 L CB 0.291 42.317 42.059 -0.055 0.000 0.970 80 L HN 0.421 nan 8.230 nan 0.000 0.457 81 G N -1.019 107.773 108.800 -0.013 0.000 2.273 81 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.162 81 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.162 81 G C 0.377 175.277 174.900 -0.001 0.000 1.006 81 G CA -0.252 44.843 45.100 -0.008 0.000 0.704 81 G HN 0.348 nan 8.290 nan 0.000 0.487 82 A N 0.329 123.150 122.820 0.002 0.000 2.540 82 A HA 0.633 4.952 4.320 -0.000 0.000 0.239 82 A C 1.215 178.810 177.584 0.020 0.000 1.061 82 A CA 1.539 53.586 52.037 0.016 0.000 0.758 82 A CB 0.323 19.339 19.000 0.026 0.000 0.991 82 A HN 0.646 nan 8.150 nan 0.000 0.502 83 R N 1.380 121.895 120.500 0.024 0.000 2.350 83 R HA 0.266 4.606 4.340 -0.000 0.000 0.199 83 R C -0.793 175.526 176.300 0.031 0.000 0.876 83 R CA 0.485 56.600 56.100 0.024 0.000 1.062 83 R CB 0.615 30.927 30.300 0.021 0.000 1.263 83 R HN 0.512 nan 8.270 nan 0.000 0.641 84 V N 3.253 123.189 119.914 0.036 0.000 2.304 84 V HA 0.393 4.513 4.120 -0.000 0.000 0.278 84 V C -1.289 174.834 176.094 0.049 0.000 1.018 84 V CA -0.692 61.634 62.300 0.042 0.000 0.814 84 V CB 1.389 33.235 31.823 0.038 0.000 1.021 84 V HN 0.081 nan 8.190 nan 0.000 0.440 85 L N 6.147 127.406 121.223 0.059 0.000 2.319 85 L HA 0.681 5.020 4.340 -0.000 0.000 0.281 85 L C -0.341 176.578 176.870 0.083 0.000 1.005 85 L CA -0.282 54.597 54.840 0.066 0.000 0.828 85 L CB 1.926 44.024 42.059 0.066 0.000 1.227 85 L HN 0.358 nan 8.230 nan 0.000 0.415 86 V N 2.877 122.832 119.914 0.068 0.000 2.444 86 V HA 0.498 4.618 4.120 -0.000 0.000 0.294 86 V C 0.114 176.239 176.094 0.051 0.000 1.022 86 V CA -0.819 61.526 62.300 0.076 0.000 0.850 86 V CB 1.747 33.602 31.823 0.054 0.000 0.992 86 V HN 0.740 nan 8.190 nan 0.000 0.426 87 R N 3.869 124.400 120.500 0.053 0.000 2.438 87 R HA 0.550 4.890 4.340 -0.000 0.000 0.287 87 R C -0.650 175.657 176.300 0.012 0.000 1.077 87 R CA -0.257 55.852 56.100 0.016 0.000 1.034 87 R CB 1.254 31.539 30.300 -0.026 0.000 0.993 87 R HN 0.662 nan 8.270 nan 0.000 0.459 88 V N 2.118 122.033 119.914 0.002 0.000 2.320 88 V HA 0.693 4.813 4.120 -0.000 0.000 0.268 88 V C 0.053 176.146 176.094 -0.002 0.000 1.021 88 V CA -0.320 61.979 62.300 -0.003 0.000 0.813 88 V CB 0.792 32.607 31.823 -0.014 0.000 1.054 88 V HN 0.885 nan 8.190 nan 0.000 0.444 89 G N 2.798 111.592 108.800 -0.009 0.000 3.176 89 G HA2 0.858 4.817 3.960 -0.000 0.000 0.272 89 G HA3 0.858 4.817 3.960 -0.000 0.000 0.272 89 G C -0.333 174.559 174.900 -0.013 0.000 1.349 89 G CA -0.048 45.043 45.100 -0.015 0.000 0.953 89 G HN 0.866 nan 8.290 nan 0.000 0.559 90 T N -3.166 111.379 114.554 -0.014 0.000 2.938 90 T HA 0.851 5.201 4.350 -0.000 0.000 0.285 90 T C -0.275 174.431 174.700 0.011 0.000 1.028 90 T CA -0.128 61.969 62.100 -0.004 0.000 1.005 90 T CB 1.863 70.725 68.868 -0.009 0.000 1.157 90 T HN 2.039 nan 8.240 nan 0.000 0.550 91 A N -0.407 122.429 122.820 0.026 0.000 2.590 91 A HA 0.756 5.076 4.320 -0.000 0.000 0.294 91 A C -0.331 177.288 177.584 0.059 0.000 1.046 91 A CA -0.579 51.488 52.037 0.050 0.000 0.684 91 A CB 0.784 19.802 19.000 0.031 0.000 1.279 91 A HN 1.427 nan 8.150 nan 0.000 0.415 92 G N 0.536 109.387 108.800 0.085 0.000 2.322 92 G HA2 0.702 4.662 3.960 -0.000 0.000 0.309 92 G HA3 0.702 4.662 3.960 -0.000 0.000 0.309 92 G C 0.338 175.301 174.900 0.106 0.000 1.121 92 G CA 0.318 45.455 45.100 0.063 0.000 0.886 92 G HN 1.883 nan 8.290 nan 0.000 0.447 93 A N 1.629 124.492 122.820 0.072 0.000 2.531 93 A HA 0.485 4.805 4.320 -0.000 0.000 0.236 93 A C 1.628 179.289 177.584 0.128 0.000 1.062 93 A CA 0.585 52.674 52.037 0.087 0.000 0.760 93 A CB 0.474 19.504 19.000 0.050 0.000 0.995 93 A HN 1.635 nan 8.150 nan 0.000 0.501 94 A N 1.837 124.766 122.820 0.182 0.000 2.169 94 A HA 0.423 4.743 4.320 -0.000 0.000 0.212 94 A C 1.162 178.831 177.584 0.142 0.000 1.153 94 A CA 1.237 53.425 52.037 0.251 0.000 0.756 94 A CB -0.442 18.767 19.000 0.347 0.000 0.813 94 A HN 1.792 nan 8.150 nan 0.000 0.471 95 S N -2.428 113.326 115.700 0.091 0.000 2.752 95 S HA 0.375 4.845 4.470 -0.000 0.000 0.284 95 S C 0.510 175.132 174.600 0.036 0.000 1.189 95 S CA 0.262 58.496 58.200 0.057 0.000 0.835 95 S CB 0.732 63.965 63.200 0.054 0.000 1.192 95 S HN 0.615 nan 8.310 nan 0.000 0.506 96 S N -0.691 115.024 115.700 0.024 0.000 2.607 96 S HA 0.032 4.502 4.470 -0.000 0.000 0.224 96 S C 0.900 175.509 174.600 0.015 0.000 0.969 96 S CA 0.942 59.152 58.200 0.016 0.000 0.927 96 S CB -0.555 62.651 63.200 0.010 0.000 0.772 96 S HN 0.706 nan 8.310 nan 0.000 0.533 97 D N 1.446 121.857 120.400 0.019 0.000 2.183 97 D HA 0.057 4.697 4.640 -0.000 0.000 0.203 97 D C 0.235 176.543 176.300 0.013 0.000 0.969 97 D CA 0.651 54.660 54.000 0.015 0.000 0.842 97 D CB -0.030 40.781 40.800 0.018 0.000 0.957 97 D HN 0.425 nan 8.370 nan 0.000 0.484 98 L N 0.576 121.810 121.223 0.018 0.000 2.341 98 L HA 0.640 4.980 4.340 -0.000 0.000 0.278 98 L C -0.157 176.723 176.870 0.015 0.000 1.005 98 L CA -0.976 53.874 54.840 0.016 0.000 0.818 98 L CB 1.958 44.030 42.059 0.022 0.000 1.259 98 L HN -0.131 nan 8.230 nan 0.000 0.418 99 A N 4.694 127.521 122.820 0.012 0.000 2.294 99 A HA 0.845 5.165 4.320 -0.000 0.000 0.330 99 A C -2.577 175.012 177.584 0.008 0.000 1.133 99 A CA -1.787 50.256 52.037 0.009 0.000 0.836 99 A CB 0.721 19.725 19.000 0.007 0.000 1.190 99 A HN 0.411 nan 8.150 nan 0.000 0.492 100 P HA 0.295 nan 4.420 nan 0.000 0.266 100 P C 0.966 178.264 177.300 -0.004 0.000 1.195 100 P CA 2.031 65.130 63.100 -0.000 0.000 0.768 100 P CB 0.713 32.411 31.700 -0.004 0.000 0.838 101 G N 1.189 109.984 108.800 -0.008 0.000 2.195 101 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.246 101 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.246 101 G C 0.124 175.021 174.900 -0.005 0.000 0.984 101 G CA -0.306 44.786 45.100 -0.015 0.000 0.633 101 G HN 0.546 nan 8.290 nan 0.000 0.525 102 E N -0.027 120.178 120.200 0.008 0.000 2.343 102 E HA 0.568 4.918 4.350 -0.000 0.000 0.269 102 E C 0.299 176.919 176.600 0.034 0.000 1.047 102 E CA -0.465 55.949 56.400 0.024 0.000 0.874 102 E CB 0.901 30.614 29.700 0.022 0.000 1.033 102 E HN 0.329 nan 8.360 nan 0.000 0.409 103 L N 3.332 124.594 121.223 0.065 0.000 2.343 103 L HA 0.456 4.796 4.340 -0.000 0.000 0.275 103 L C -0.192 176.728 176.870 0.082 0.000 1.056 103 L CA -0.353 54.535 54.840 0.079 0.000 0.804 103 L CB 0.826 42.958 42.059 0.121 0.000 1.203 103 L HN 0.370 nan 8.230 nan 0.000 0.440 104 I N 2.592 123.196 120.570 0.056 0.000 2.447 104 I HA 0.285 4.455 4.170 -0.000 0.000 0.287 104 I C -0.744 175.396 176.117 0.038 0.000 1.023 104 I CA -0.728 60.595 61.300 0.038 0.000 1.083 104 I CB 2.180 40.192 38.000 0.019 0.000 1.245 104 I HN 0.170 nan 8.210 nan 0.000 0.434 105 V N 5.984 125.909 119.914 0.019 0.000 2.368 105 V HA 0.315 4.435 4.120 -0.000 0.000 0.266 105 V C 0.779 176.933 176.094 0.100 0.000 1.045 105 V CA -0.590 61.720 62.300 0.016 0.000 0.899 105 V CB 1.260 33.006 31.823 -0.129 0.000 1.006 105 V HN 0.839 nan 8.190 nan 0.000 0.470 106 A N 4.294 127.217 122.820 0.171 0.000 2.500 106 A HA 0.105 4.425 4.320 -0.000 0.000 0.285 106 A C 1.284 179.028 177.584 0.266 0.000 1.183 106 A CA 0.156 52.327 52.037 0.223 0.000 0.851 106 A CB -0.040 19.141 19.000 0.303 0.000 1.091 106 A HN 0.974 nan 8.150 nan 0.000 0.521 107 Q N 2.787 122.659 119.800 0.120 0.000 2.187 107 Q HA 0.200 4.540 4.340 -0.000 0.000 0.199 107 Q C 0.736 176.600 176.000 -0.226 0.000 0.957 107 Q CA 1.255 56.962 55.803 -0.160 0.000 0.857 107 Q CB 0.095 28.728 28.738 -0.175 0.000 0.929 107 Q HN 0.875 nan 8.270 nan 0.000 0.453 108 G N -0.877 107.910 108.800 -0.021 0.000 2.601 108 G HA2 0.599 4.559 3.960 -0.000 0.000 0.291 108 G HA3 0.599 4.559 3.960 -0.000 0.000 0.291 108 G C -1.996 172.990 174.900 0.144 0.000 1.456 108 G CA -0.315 44.806 45.100 0.035 0.000 0.804 108 G HN 0.193 nan 8.290 nan 0.000 0.499 109 A N 0.424 123.356 122.820 0.186 0.000 2.340 109 A HA 0.657 4.977 4.320 -0.000 0.000 0.297 109 A C -0.174 177.376 177.584 -0.055 0.000 1.195 109 A CA -0.492 51.562 52.037 0.027 0.000 0.769 109 A CB 1.339 20.316 19.000 -0.039 0.000 1.163 109 A HN 1.291 nan 8.150 nan 0.000 0.472 110 V N 5.691 125.500 119.914 -0.175 0.000 2.458 110 V HA 0.135 4.255 4.120 -0.000 0.000 0.287 110 V C -1.670 174.302 176.094 -0.204 0.000 1.009 110 V CA -0.451 61.711 62.300 -0.230 0.000 1.091 110 V CB 0.718 32.262 31.823 -0.465 0.000 0.960 110 V HN 0.773 nan 8.190 nan 0.000 0.476 111 P HA 0.159 nan 4.420 nan 0.000 0.268 111 P C 0.128 177.397 177.300 -0.051 0.000 1.541 111 P CA 0.124 63.199 63.100 -0.041 0.000 1.093 111 P CB 0.414 32.143 31.700 0.048 0.000 1.551 112 L N 2.275 123.445 121.223 -0.088 0.000 2.741 112 L HA 0.170 4.510 4.340 -0.000 0.000 0.237 112 L C 1.096 177.964 176.870 -0.003 0.000 1.178 112 L CA -0.070 54.744 54.840 -0.043 0.000 0.973 112 L CB -0.121 41.889 42.059 -0.080 0.000 1.255 112 L HN 0.326 nan 8.230 nan 0.000 0.498 113 D N -1.128 119.268 120.400 -0.006 0.000 2.272 113 D HA 0.171 4.810 4.640 -0.000 0.000 0.247 113 D C 0.924 177.231 176.300 0.011 0.000 0.990 113 D CA -0.403 53.599 54.000 0.004 0.000 0.931 113 D CB 2.160 42.958 40.800 -0.003 0.000 1.195 113 D HN -0.047 nan 8.370 nan 0.000 0.477 114 G N -0.094 108.709 108.800 0.005 0.000 2.551 114 G HA2 -0.118 3.841 3.960 -0.000 0.000 0.216 114 G HA3 -0.118 3.841 3.960 -0.000 0.000 0.216 114 G C 1.234 176.121 174.900 -0.021 0.000 1.137 114 G CA 0.666 45.762 45.100 -0.005 0.000 0.798 114 G HN 0.559 nan 8.290 nan 0.000 0.536 115 T N 1.561 116.106 114.554 -0.014 0.000 2.614 115 T HA -0.185 4.165 4.350 -0.000 0.000 0.263 115 T C 2.879 177.614 174.700 0.058 0.000 1.055 115 T CA 2.354 64.440 62.100 -0.024 0.000 1.162 115 T CB -0.868 68.018 68.868 0.030 0.000 0.863 115 T HN 0.521 nan 8.240 nan 0.000 0.414 116 T N 1.135 115.758 114.554 0.116 0.000 2.803 116 T HA -0.172 4.178 4.350 -0.000 0.000 0.269 116 T C 1.969 176.718 174.700 0.082 0.000 1.052 116 T CA 1.295 63.481 62.100 0.142 0.000 1.136 116 T CB -0.356 68.559 68.868 0.078 0.000 0.864 116 T HN 0.322 nan 8.240 nan 0.000 0.467 117 R N 0.734 121.258 120.500 0.040 0.000 2.092 117 R HA -0.060 4.280 4.340 -0.000 0.000 0.231 117 R C 2.704 179.002 176.300 -0.003 0.000 1.119 117 R CA 1.428 57.540 56.100 0.020 0.000 0.970 117 R CB -0.314 29.994 30.300 0.015 0.000 0.864 117 R HN 0.653 nan 8.270 nan 0.000 0.440 118 Q N -0.510 119.262 119.800 -0.048 0.000 1.990 118 Q HA -0.201 4.139 4.340 -0.000 0.000 0.200 118 Q C 1.697 177.645 176.000 -0.086 0.000 0.980 118 Q CA 1.832 57.570 55.803 -0.109 0.000 0.832 118 Q CB -0.257 28.351 28.738 -0.216 0.000 0.897 118 Q HN 0.434 nan 8.270 nan 0.000 0.427 119 Y N 0.650 120.920 120.300 -0.051 0.000 2.030 119 Y HA -0.296 4.254 4.550 -0.000 0.000 0.274 119 Y C 2.192 178.045 175.900 -0.080 0.000 1.153 119 Y CA 1.417 59.477 58.100 -0.066 0.000 1.115 119 Y CB -0.237 38.170 38.460 -0.088 0.000 0.969 119 Y HN 0.148 nan 8.280 nan 0.000 0.488 120 L N 0.092 121.362 121.223 0.079 0.000 2.450 120 L HA -0.195 4.145 4.340 -0.000 0.000 0.224 120 L C 0.487 177.361 176.870 0.006 0.000 1.149 120 L CA 1.096 55.930 54.840 -0.011 0.000 0.816 120 L CB -0.584 41.441 42.059 -0.056 0.000 0.932 120 L HN 0.358 nan 8.230 nan 0.000 0.449 121 E N -0.819 119.388 120.200 0.011 0.000 2.637 121 E HA -0.280 4.070 4.350 -0.000 0.000 0.265 121 E C 1.126 177.731 176.600 0.009 0.000 1.073 121 E CA 0.168 56.571 56.400 0.005 0.000 0.778 121 E CB -1.678 28.026 29.700 0.008 0.000 1.362 121 E HN 0.683 nan 8.360 nan 0.000 0.413 122 G N 0.015 108.823 108.800 0.013 0.000 2.179 122 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.260 122 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.260 122 G C 0.317 175.236 174.900 0.031 0.000 0.977 122 G CA 0.523 45.636 45.100 0.021 0.000 0.641 122 G HN 0.288 nan 8.290 nan 0.000 0.533 123 R N 1.035 121.555 120.500 0.034 0.000 2.594 123 R HA 0.454 4.794 4.340 -0.000 0.000 0.272 123 R C -2.121 174.228 176.300 0.081 0.000 1.074 123 R CA -1.278 54.852 56.100 0.050 0.000 1.105 123 R CB 0.144 30.473 30.300 0.048 0.000 1.008 123 R HN 0.158 nan 8.270 nan 0.000 0.472 124 P HA 0.022 nan 4.420 nan 0.000 0.270 124 P C -1.483 175.940 177.300 0.205 0.000 1.223 124 P CA 0.099 63.263 63.100 0.108 0.000 0.785 124 P CB 0.379 32.119 31.700 0.067 0.000 0.923 125 Y N -0.132 120.172 120.300 0.006 0.000 2.662 125 Y HA 0.524 5.074 4.550 -0.000 0.000 0.334 125 Y C -1.664 174.235 175.900 -0.002 0.000 1.185 125 Y CA -1.032 57.070 58.100 0.004 0.000 1.074 125 Y CB 1.150 39.617 38.460 0.013 0.000 1.330 125 Y HN 0.415 nan 8.280 nan 0.000 0.458 126 A N 5.093 127.455 122.820 -0.762 0.000 2.664 126 A HA 0.626 4.946 4.320 -0.000 0.000 0.338 126 A C -2.997 174.237 177.584 -0.583 0.000 1.280 126 A CA -1.703 50.044 52.037 -0.485 0.000 0.809 126 A CB -0.138 18.650 19.000 -0.353 0.000 1.114 126 A HN 0.387 nan 8.150 nan 0.000 0.479 127 P HA 0.266 nan 4.420 nan 0.000 0.264 127 P C -0.193 177.142 177.300 0.057 0.000 1.229 127 P CA 0.274 63.462 63.100 0.148 0.000 0.780 127 P CB 0.811 32.717 31.700 0.343 0.000 0.808 128 V N 2.366 122.175 119.914 -0.175 0.000 3.001 128 V HA 0.800 4.919 4.120 -0.000 0.000 0.314 128 V C -2.513 173.009 176.094 -0.954 0.000 1.099 128 V CA -2.976 59.027 62.300 -0.495 0.000 0.989 128 V CB 2.326 33.917 31.823 -0.387 0.000 1.040 128 V HN 0.251 nan 8.190 nan 0.000 0.434 129 P HA 0.219 nan 4.420 nan 0.000 0.279 129 P C -0.885 176.166 177.300 -0.415 0.000 1.282 129 P CA -0.052 62.373 63.100 -1.125 0.000 0.788 129 P CB 0.675 31.900 31.700 -0.791 0.000 1.139 130 D N 0.536 120.825 120.400 -0.186 0.000 2.417 130 D HA 0.017 4.657 4.640 -0.000 0.000 0.250 130 D C -1.109 175.189 176.300 -0.004 0.000 1.166 130 D CA -1.606 52.353 54.000 -0.067 0.000 0.881 130 D CB 0.310 41.107 40.800 -0.005 0.000 1.164 130 D HN 0.117 nan 8.370 nan 0.000 0.467 131 P HA -0.230 nan 4.420 nan 0.000 0.216 131 P C 0.914 178.319 177.300 0.175 0.000 1.157 131 P CA 1.242 64.393 63.100 0.084 0.000 0.880 131 P CB 0.263 31.980 31.700 0.029 0.000 0.791 132 E N -0.406 119.852 120.200 0.097 0.000 2.072 132 E HA -0.072 4.278 4.350 -0.000 0.000 0.191 132 E C 2.205 178.853 176.600 0.080 0.000 0.985 132 E CA 0.834 57.281 56.400 0.079 0.000 0.801 132 E CB -0.624 29.102 29.700 0.043 0.000 0.750 132 E HN 0.118 nan 8.360 nan 0.000 0.452 133 V N 1.311 121.276 119.914 0.085 0.000 2.358 133 V HA -0.219 3.901 4.120 -0.000 0.000 0.246 133 V C 2.173 178.326 176.094 0.098 0.000 1.047 133 V CA 1.604 63.949 62.300 0.075 0.000 1.035 133 V CB -0.649 31.219 31.823 0.074 0.000 0.658 133 V HN 0.194 nan 8.190 nan 0.000 0.452 134 F N 1.589 121.550 119.950 0.018 0.000 2.161 134 F HA -0.207 4.320 4.527 -0.000 0.000 0.300 134 F C 2.535 178.419 175.800 0.141 0.000 1.089 134 F CA 2.230 60.258 58.000 0.046 0.000 1.282 134 F CB -0.303 38.697 39.000 0.001 0.000 1.010 134 F HN -0.036 nan 8.300 nan 0.000 0.485 135 R N 0.302 120.775 120.500 -0.045 0.000 2.073 135 R HA -0.033 4.307 4.340 -0.000 0.000 0.229 135 R C 2.385 178.624 176.300 -0.102 0.000 1.120 135 R CA 1.134 57.176 56.100 -0.097 0.000 0.967 135 R CB -0.605 29.723 30.300 0.047 0.000 0.862 135 R HN 0.366 nan 8.270 nan 0.000 0.436 136 A N 1.120 123.909 122.820 -0.052 0.000 1.898 136 A HA -0.107 4.213 4.320 -0.000 0.000 0.216 136 A C 2.148 179.697 177.584 -0.058 0.000 1.181 136 A CA 1.065 53.074 52.037 -0.047 0.000 0.620 136 A CB -0.484 18.506 19.000 -0.017 0.000 0.819 136 A HN 0.315 nan 8.150 nan 0.000 0.442 137 L N -2.165 119.019 121.223 -0.064 0.000 1.976 137 L HA -0.223 4.117 4.340 -0.000 0.000 0.209 137 L C 2.608 179.434 176.870 -0.073 0.000 1.071 137 L CA 1.670 56.469 54.840 -0.069 0.000 0.746 137 L CB -0.598 41.423 42.059 -0.063 0.000 0.890 137 L HN 0.700 nan 8.230 nan 0.000 0.432 138 W N 1.449 122.526 121.300 -0.371 0.000 2.318 138 W HA -0.235 4.425 4.660 -0.000 0.000 0.313 138 W C 2.897 179.252 176.519 -0.274 0.000 1.221 138 W CA 1.935 59.058 57.345 -0.371 0.000 1.266 138 W CB -0.590 28.585 29.460 -0.474 0.000 1.150 138 W HN 0.117 nan 8.180 nan 0.000 0.496 139 R N 0.095 120.545 120.500 -0.083 0.000 2.083 139 R HA -0.199 4.141 4.340 -0.000 0.000 0.237 139 R C 2.276 178.510 176.300 -0.110 0.000 1.137 139 R CA 1.837 57.848 56.100 -0.148 0.000 0.951 139 R CB -0.300 29.916 30.300 -0.139 0.000 0.851 139 R HN -0.106 nan 8.270 nan 0.000 0.434 140 R N 0.254 120.698 120.500 -0.095 0.000 2.115 140 R HA 0.034 4.374 4.340 -0.000 0.000 0.226 140 R C 2.134 178.345 176.300 -0.148 0.000 1.100 140 R CA 1.227 57.266 56.100 -0.101 0.000 0.980 140 R CB -1.060 29.198 30.300 -0.071 0.000 0.875 140 R HN 0.356 nan 8.270 nan 0.000 0.445 141 A N 1.527 124.238 122.820 -0.181 0.000 1.873 141 A HA -0.227 4.093 4.320 -0.000 0.000 0.218 141 A C 2.084 179.540 177.584 -0.214 0.000 1.193 141 A CA 1.769 53.627 52.037 -0.298 0.000 0.629 141 A CB -0.439 18.106 19.000 -0.759 0.000 0.826 141 A HN 0.391 nan 8.150 nan 0.000 0.447 142 E N -0.477 119.655 120.200 -0.113 0.000 2.017 142 E HA -0.113 4.237 4.350 -0.000 0.000 0.193 142 E C 2.437 179.010 176.600 -0.045 0.000 0.997 142 E CA 0.983 57.401 56.400 0.031 0.000 0.804 142 E CB -0.367 29.361 29.700 0.046 0.000 0.757 142 E HN 0.596 nan 8.360 nan 0.000 0.448 143 A N 1.518 124.285 122.820 -0.088 0.000 1.892 143 A HA -0.212 4.108 4.320 -0.000 0.000 0.218 143 A C 2.204 179.696 177.584 -0.153 0.000 1.188 143 A CA 1.391 53.370 52.037 -0.097 0.000 0.631 143 A CB -0.917 18.028 19.000 -0.091 0.000 0.822 143 A HN 0.192 nan 8.150 nan 0.000 0.447 144 L N -1.231 119.828 121.223 -0.274 0.000 2.450 144 L HA -0.047 4.293 4.340 -0.000 0.000 0.224 144 L C 1.887 178.427 176.870 -0.550 0.000 1.149 144 L CA 0.708 55.229 54.840 -0.533 0.000 0.816 144 L CB -0.618 40.871 42.059 -0.950 0.000 0.932 144 L HN 0.712 nan 8.230 nan 0.000 0.449 145 G N -1.156 107.503 108.800 -0.236 0.000 2.162 145 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.260 145 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.260 145 G C 0.162 175.178 174.900 0.192 0.000 0.976 145 G CA -0.246 44.849 45.100 -0.009 0.000 0.655 145 G HN 0.436 nan 8.290 nan 0.000 0.533 146 Y N 0.661 121.024 120.300 0.103 0.000 2.436 146 Y HA 0.351 4.901 4.550 -0.000 0.000 0.336 146 Y C -1.648 174.385 175.900 0.222 0.000 1.049 146 Y CA -2.290 55.883 58.100 0.122 0.000 1.294 146 Y CB 0.788 39.298 38.460 0.083 0.000 1.179 146 Y HN 0.017 nan 8.280 nan 0.000 0.520 147 P HA -0.039 nan 4.420 nan 0.000 0.264 147 P C -0.831 176.619 177.300 0.250 0.000 1.193 147 P CA 0.810 64.040 63.100 0.217 0.000 0.763 147 P CB 0.334 32.104 31.700 0.117 0.000 0.810 148 H N 1.569 120.686 119.070 0.079 0.000 3.037 148 H HA 0.539 5.095 4.556 -0.000 0.000 0.355 148 H C -0.921 174.409 175.328 0.003 0.000 1.263 148 H CA -1.022 55.052 56.048 0.043 0.000 1.129 148 H CB 1.179 30.972 29.762 0.051 0.000 1.861 148 H HN 0.184 nan 8.280 nan 0.000 0.546 149 R N 0.729 121.205 120.500 -0.039 0.000 2.787 149 R HA 0.643 4.983 4.340 -0.000 0.000 0.271 149 R C -0.863 175.375 176.300 -0.105 0.000 0.993 149 R CA -1.179 54.855 56.100 -0.110 0.000 0.993 149 R CB 2.627 32.893 30.300 -0.056 0.000 1.155 149 R HN 0.421 nan 8.270 nan 0.000 0.486 150 V N 0.690 120.488 119.914 -0.193 0.000 2.531 150 V HA 0.799 4.919 4.120 -0.000 0.000 0.301 150 V C 0.400 176.398 176.094 -0.159 0.000 1.034 150 V CA -0.295 61.838 62.300 -0.279 0.000 0.865 150 V CB 1.599 32.982 31.823 -0.734 0.000 0.995 150 V HN 1.060 nan 8.190 nan 0.000 0.424 151 G N 3.587 112.338 108.800 -0.081 0.000 2.404 151 G HA2 0.312 4.272 3.960 -0.000 0.000 0.253 151 G HA3 0.312 4.272 3.960 -0.000 0.000 0.253 151 G C -1.665 173.215 174.900 -0.035 0.000 1.253 151 G CA -0.913 44.153 45.100 -0.057 0.000 0.917 151 G HN 0.562 nan 8.290 nan 0.000 0.480 152 L N 0.501 121.698 121.223 -0.043 0.000 2.421 152 L HA 0.736 5.076 4.340 -0.000 0.000 0.263 152 L C 0.780 177.595 176.870 -0.092 0.000 1.122 152 L CA -0.840 53.965 54.840 -0.058 0.000 0.804 152 L CB 1.449 43.469 42.059 -0.066 0.000 1.150 152 L HN 0.792 nan 8.230 nan 0.000 0.457 153 V N -1.029 118.804 119.914 -0.134 0.000 3.167 153 V HA 0.973 5.093 4.120 -0.000 0.000 0.310 153 V C -0.863 175.019 176.094 -0.353 0.000 1.207 153 V CA -0.794 61.375 62.300 -0.219 0.000 1.059 153 V CB 1.880 33.614 31.823 -0.148 0.000 1.079 153 V HN 0.802 nan 8.190 nan 0.000 0.446 154 A N 0.834 123.336 122.820 -0.528 0.000 2.335 154 A HA 0.806 5.126 4.320 -0.000 0.000 0.304 154 A C -0.224 177.117 177.584 -0.405 0.000 1.118 154 A CA -0.418 51.226 52.037 -0.656 0.000 0.757 154 A CB 1.310 19.535 19.000 -1.290 0.000 1.188 154 A HN 1.033 nan 8.150 nan 0.000 0.460 155 S N 2.298 117.837 115.700 -0.268 0.000 2.411 155 S HA 0.427 4.897 4.470 -0.000 0.000 0.294 155 S C 0.049 174.593 174.600 -0.093 0.000 1.115 155 S CA -0.499 57.612 58.200 -0.149 0.000 1.071 155 S CB 0.410 63.526 63.200 -0.140 0.000 0.967 155 S HN 0.811 nan 8.310 nan 0.000 0.488 156 E N 2.148 122.341 120.200 -0.012 0.000 2.299 156 E HA 0.482 4.832 4.350 -0.000 0.000 0.260 156 E C -0.776 175.848 176.600 0.040 0.000 0.944 156 E CA -0.874 55.546 56.400 0.034 0.000 0.815 156 E CB 0.951 30.722 29.700 0.118 0.000 1.252 156 E HN 0.193 nan 8.360 nan 0.000 0.418 157 D N 0.133 120.560 120.400 0.045 0.000 2.323 157 D HA 0.138 4.778 4.640 -0.000 0.000 0.218 157 D C 0.014 176.354 176.300 0.067 0.000 0.973 157 D CA 0.654 54.680 54.000 0.044 0.000 0.890 157 D CB 0.451 41.271 40.800 0.033 0.000 1.011 157 D HN 0.491 nan 8.370 nan 0.000 0.499 158 A N 0.662 123.525 122.820 0.071 0.000 2.444 158 A HA 0.248 4.568 4.320 -0.000 0.000 0.332 158 A C 0.513 178.143 177.584 0.076 0.000 1.430 158 A CA -0.561 51.531 52.037 0.092 0.000 0.975 158 A CB -0.365 18.682 19.000 0.080 0.000 1.147 158 A HN 0.040 nan 8.150 nan 0.000 0.524 159 F N 2.534 122.437 119.950 -0.080 0.000 2.087 159 F HA -0.260 4.266 4.527 -0.000 0.000 0.299 159 F C 1.183 176.792 175.800 -0.319 0.000 1.100 159 F CA 2.260 60.116 58.000 -0.241 0.000 1.226 159 F CB -0.146 38.625 39.000 -0.381 0.000 0.983 159 F HN 0.684 nan 8.300 nan 0.000 0.479 160 Y N -0.712 119.632 120.300 0.074 0.000 2.462 160 Y HA 0.303 4.853 4.550 -0.000 0.000 0.293 160 Y C 1.844 177.703 175.900 -0.068 0.000 1.195 160 Y CA 0.111 58.191 58.100 -0.033 0.000 1.276 160 Y CB -0.409 38.103 38.460 0.087 0.000 1.082 160 Y HN 0.165 nan 8.280 nan 0.000 0.514 161 A N -0.970 121.866 122.820 0.025 0.000 2.063 161 A HA 0.076 4.396 4.320 -0.000 0.000 0.211 161 A C 1.170 178.727 177.584 -0.045 0.000 1.177 161 A CA 0.284 52.329 52.037 0.014 0.000 0.759 161 A CB -0.256 18.766 19.000 0.037 0.000 0.857 161 A HN 0.119 nan 8.150 nan 0.000 0.468 162 T N 2.419 116.890 114.554 -0.138 0.000 2.814 162 T HA 0.392 4.742 4.350 -0.000 0.000 0.297 162 T C 0.518 175.106 174.700 -0.187 0.000 0.956 162 T CA 0.492 62.482 62.100 -0.184 0.000 1.123 162 T CB 0.617 69.254 68.868 -0.385 0.000 0.902 162 T HN 0.536 nan 8.240 nan 0.000 0.528 163 T N 2.118 116.606 114.554 -0.110 0.000 2.899 163 T HA 0.312 4.662 4.350 -0.000 0.000 0.284 163 T C -1.839 172.796 174.700 -0.107 0.000 1.004 163 T CA -2.027 60.019 62.100 -0.089 0.000 1.043 163 T CB 1.110 69.953 68.868 -0.041 0.000 1.013 163 T HN 0.117 nan 8.240 nan 0.000 0.518 164 P HA -0.103 nan 4.420 nan 0.000 0.215 164 P C 1.491 178.770 177.300 -0.036 0.000 1.153 164 P CA 1.062 64.116 63.100 -0.076 0.000 0.853 164 P CB 0.105 31.773 31.700 -0.054 0.000 0.788 165 E N 0.418 120.603 120.200 -0.025 0.000 2.033 165 E HA -0.270 4.080 4.350 -0.000 0.000 0.199 165 E C 1.822 178.432 176.600 0.016 0.000 1.011 165 E CA 1.584 57.980 56.400 -0.007 0.000 0.815 165 E CB -0.386 29.306 29.700 -0.012 0.000 0.755 165 E HN 0.275 nan 8.360 nan 0.000 0.451 166 E N 0.141 120.355 120.200 0.023 0.000 2.160 166 E HA -0.232 4.118 4.350 -0.000 0.000 0.195 166 E C 2.046 178.781 176.600 0.225 0.000 0.991 166 E CA 0.864 57.315 56.400 0.085 0.000 0.810 166 E CB -0.212 29.552 29.700 0.107 0.000 0.742 166 E HN 0.413 nan 8.360 nan 0.000 0.466 167 A N 1.665 124.569 122.820 0.140 0.000 1.883 167 A HA -0.215 4.105 4.320 -0.000 0.000 0.217 167 A C 2.094 179.865 177.584 0.312 0.000 1.186 167 A CA 1.393 53.584 52.037 0.256 0.000 0.624 167 A CB -0.398 18.603 19.000 0.002 0.000 0.822 167 A HN 0.082 nan 8.150 nan 0.000 0.444 168 R N -0.712 119.878 120.500 0.151 0.000 2.096 168 R HA -0.091 4.249 4.340 -0.000 0.000 0.235 168 R C 2.458 178.812 176.300 0.090 0.000 1.127 168 R CA 1.140 57.302 56.100 0.104 0.000 0.968 168 R CB -0.460 29.863 30.300 0.040 0.000 0.861 168 R HN 0.534 nan 8.270 nan 0.000 0.440 169 A N 0.062 122.922 122.820 0.066 0.000 1.933 169 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 169 A C 1.750 179.350 177.584 0.026 0.000 1.175 169 A CA 0.988 53.005 52.037 -0.033 0.000 0.628 169 A CB -0.756 18.181 19.000 -0.105 0.000 0.814 169 A HN 0.472 nan 8.150 nan 0.000 0.444 170 W N -0.483 120.944 121.300 0.211 0.000 2.436 170 W HA 0.051 4.711 4.660 -0.000 0.000 0.284 170 W C 2.676 179.291 176.519 0.160 0.000 1.225 170 W CA 0.813 58.310 57.345 0.253 0.000 1.271 170 W CB 0.088 29.708 29.460 0.267 0.000 1.114 170 W HN 0.405 nan 8.180 nan 0.000 0.559 171 A N 0.478 123.502 122.820 0.340 0.000 1.902 171 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 171 A C 1.834 179.481 177.584 0.106 0.000 1.181 171 A CA 1.615 53.768 52.037 0.193 0.000 0.623 171 A CB -0.767 18.314 19.000 0.135 0.000 0.818 171 A HN 0.271 nan 8.150 nan 0.000 0.443 172 R N -1.988 118.516 120.500 0.007 0.000 2.170 172 R HA -0.179 4.161 4.340 -0.000 0.000 0.242 172 R C 0.810 176.997 176.300 -0.187 0.000 1.145 172 R CA 1.672 57.676 56.100 -0.161 0.000 0.984 172 R CB -0.326 29.765 30.300 -0.348 0.000 0.869 172 R HN 0.682 nan 8.270 nan 0.000 0.455 173 Y N -1.228 119.127 120.300 0.090 0.000 2.493 173 Y HA 0.240 4.790 4.550 -0.000 0.000 0.275 173 Y C 1.472 177.442 175.900 0.116 0.000 1.183 173 Y CA 0.399 58.566 58.100 0.112 0.000 1.258 173 Y CB 0.833 39.404 38.460 0.185 0.000 1.108 173 Y HN 0.232 nan 8.280 nan 0.000 0.521 174 G N -0.665 108.251 108.800 0.194 0.000 2.194 174 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.236 174 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.236 174 G C -0.069 174.878 174.900 0.077 0.000 0.987 174 G CA 0.028 45.197 45.100 0.114 0.000 0.635 174 G HN 0.071 nan 8.290 nan 0.000 0.520 175 V N 2.442 122.422 119.914 0.109 0.000 2.479 175 V HA 0.297 4.417 4.120 -0.000 0.000 0.281 175 V C 1.890 177.972 176.094 -0.019 0.000 1.031 175 V CA 0.462 62.742 62.300 -0.034 0.000 1.038 175 V CB 1.200 32.922 31.823 -0.168 0.000 0.981 175 V HN 0.324 nan 8.190 nan 0.000 0.478 176 L N 4.074 125.265 121.223 -0.052 0.000 2.249 176 L HA 0.395 4.735 4.340 -0.000 0.000 0.207 176 L C 0.951 177.826 176.870 0.009 0.000 1.090 176 L CA 1.072 55.906 54.840 -0.010 0.000 0.802 176 L CB -0.101 41.948 42.059 -0.017 0.000 0.947 176 L HN 0.782 nan 8.230 nan 0.000 0.453 177 A N -1.240 121.549 122.820 -0.052 0.000 2.586 177 A HA 0.670 4.990 4.320 -0.000 0.000 0.290 177 A C -1.896 175.635 177.584 -0.088 0.000 1.086 177 A CA -0.468 51.590 52.037 0.035 0.000 0.665 177 A CB 0.895 19.917 19.000 0.037 0.000 1.279 177 A HN -0.082 nan 8.150 nan 0.000 0.423 178 F N 0.581 120.489 119.950 -0.070 0.000 2.495 178 F HA 0.636 5.163 4.527 -0.000 0.000 0.327 178 F C 0.547 176.306 175.800 -0.069 0.000 1.103 178 F CA 0.007 57.949 58.000 -0.097 0.000 0.949 178 F CB 2.314 41.245 39.000 -0.114 0.000 1.142 178 F HN 0.848 nan 8.300 nan 0.000 0.457 179 E N 0.837 121.084 120.200 0.079 0.000 2.421 179 E HA 0.626 4.976 4.350 -0.000 0.000 0.265 179 E C -1.089 175.524 176.600 0.021 0.000 0.990 179 E CA -0.845 55.581 56.400 0.043 0.000 0.874 179 E CB 1.601 31.290 29.700 -0.018 0.000 1.646 179 E HN 0.479 nan 8.360 nan 0.000 0.451 180 M N -0.153 119.443 119.600 -0.006 0.000 2.747 180 M HA 0.358 4.838 4.480 -0.000 0.000 0.402 180 M C -0.605 175.663 176.300 -0.054 0.000 1.238 180 M CA 0.205 55.496 55.300 -0.016 0.000 0.877 180 M CB 0.701 33.309 32.600 0.014 0.000 1.424 180 M HN 0.578 nan 8.290 nan 0.000 0.511 181 E N -0.422 119.720 120.200 -0.097 0.000 2.640 181 E HA 0.295 4.645 4.350 -0.000 0.000 0.197 181 E C 1.675 178.146 176.600 -0.215 0.000 0.925 181 E CA 0.592 56.920 56.400 -0.120 0.000 1.604 181 E CB 0.091 29.732 29.700 -0.098 0.000 1.769 181 E HN 0.315 nan 8.360 nan 0.000 0.965 182 A N 1.510 124.143 122.820 -0.313 0.000 1.870 182 A HA -0.344 3.976 4.320 -0.000 0.000 0.219 182 A C 2.287 179.478 177.584 -0.655 0.000 1.224 182 A CA 3.153 54.805 52.037 -0.641 0.000 0.650 182 A CB -1.375 17.266 19.000 -0.598 0.000 0.836 182 A HN 0.351 nan 8.150 nan 0.000 0.454 183 S N 0.359 115.865 115.700 -0.323 0.000 2.378 183 S HA -0.215 4.255 4.470 -0.000 0.000 0.229 183 S C 2.112 176.695 174.600 -0.028 0.000 1.052 183 S CA 2.506 60.643 58.200 -0.105 0.000 1.084 183 S CB -1.141 62.035 63.200 -0.041 0.000 0.950 183 S HN 1.341 nan 8.310 nan 0.000 0.440 184 A N 1.804 124.594 122.820 -0.049 0.000 1.898 184 A HA 0.119 4.439 4.320 -0.000 0.000 0.216 184 A C 2.309 179.886 177.584 -0.012 0.000 1.181 184 A CA 1.560 53.599 52.037 0.003 0.000 0.620 184 A CB -0.960 18.059 19.000 0.032 0.000 0.819 184 A HN 0.626 nan 8.150 nan 0.000 0.442 185 L N -0.816 120.366 121.223 -0.068 0.000 2.042 185 L HA -0.137 4.203 4.340 -0.000 0.000 0.210 185 L C 2.234 179.205 176.870 0.168 0.000 1.076 185 L CA 1.935 56.767 54.840 -0.013 0.000 0.749 185 L CB -0.635 41.361 42.059 -0.106 0.000 0.893 185 L HN 0.478 nan 8.230 nan 0.000 0.432 186 F N -1.735 118.223 119.950 0.013 0.000 2.206 186 F HA -0.195 4.332 4.527 -0.000 0.000 0.298 186 F C 2.281 178.112 175.800 0.052 0.000 1.090 186 F CA 0.492 58.512 58.000 0.033 0.000 1.323 186 F CB -0.172 38.852 39.000 0.040 0.000 1.028 186 F HN 0.242 nan 8.300 nan 0.000 0.492 187 L N 0.677 122.031 121.223 0.218 0.000 2.056 187 L HA -0.139 4.201 4.340 -0.000 0.000 0.207 187 L C 1.933 178.757 176.870 -0.077 0.000 1.078 187 L CA 1.638 56.506 54.840 0.047 0.000 0.749 187 L CB -0.782 41.205 42.059 -0.121 0.000 0.901 187 L HN 0.073 nan 8.230 nan 0.000 0.433 188 L N -0.618 120.542 121.223 -0.104 0.000 2.141 188 L HA -0.063 4.277 4.340 -0.000 0.000 0.209 188 L C 2.504 179.346 176.870 -0.046 0.000 1.094 188 L CA 0.912 55.662 54.840 -0.150 0.000 0.763 188 L CB -1.358 40.619 42.059 -0.138 0.000 0.908 188 L HN 0.466 nan 8.230 nan 0.000 0.437 189 G N 0.106 108.926 108.800 0.034 0.000 2.545 189 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.217 189 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.217 189 G C 1.696 176.608 174.900 0.021 0.000 1.218 189 G CA 0.513 45.644 45.100 0.052 0.000 0.787 189 G HN 0.147 nan 8.290 nan 0.000 0.571 190 R N 0.016 120.535 120.500 0.032 0.000 2.070 190 R HA 0.071 4.411 4.340 -0.000 0.000 0.232 190 R C 2.803 179.097 176.300 -0.010 0.000 1.138 190 R CA 1.235 57.349 56.100 0.025 0.000 0.936 190 R CB -1.239 29.108 30.300 0.077 0.000 0.839 190 R HN 0.439 nan 8.270 nan 0.000 0.429 191 M N 0.606 120.175 119.600 -0.052 0.000 2.116 191 M HA -0.205 4.275 4.480 -0.000 0.000 0.255 191 M C 1.451 177.714 176.300 -0.061 0.000 1.075 191 M CA 1.739 56.987 55.300 -0.086 0.000 1.087 191 M CB -0.167 32.323 32.600 -0.184 0.000 1.340 191 M HN -0.049 nan 8.290 nan 0.000 0.402 192 R N -0.306 120.162 120.500 -0.053 0.000 2.393 192 R HA 0.258 4.598 4.340 -0.000 0.000 0.244 192 R C 0.885 177.177 176.300 -0.012 0.000 0.920 192 R CA 0.583 56.664 56.100 -0.032 0.000 1.076 192 R CB -0.370 29.910 30.300 -0.033 0.000 1.119 192 R HN 0.568 nan 8.270 nan 0.000 0.524 193 G N 1.421 110.216 108.800 -0.008 0.000 2.246 193 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.273 193 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.273 193 G C 0.200 175.104 174.900 0.007 0.000 1.055 193 G CA 0.547 45.647 45.100 0.001 0.000 0.851 193 G HN 0.257 nan 8.290 nan 0.000 0.500 194 V N -3.870 116.051 119.914 0.011 0.000 3.019 194 V HA 0.902 5.022 4.120 -0.000 0.000 0.317 194 V C 0.334 176.444 176.094 0.027 0.000 1.094 194 V CA -1.990 60.322 62.300 0.020 0.000 1.000 194 V CB 1.657 33.494 31.823 0.023 0.000 1.060 194 V HN 0.309 nan 8.190 nan 0.000 0.443 195 R N 1.384 121.903 120.500 0.033 0.000 2.265 195 R HA 0.688 5.028 4.340 -0.000 0.000 0.319 195 R C 0.032 176.368 176.300 0.060 0.000 1.006 195 R CA -0.006 56.117 56.100 0.037 0.000 0.880 195 R CB 1.570 31.890 30.300 0.033 0.000 1.077 195 R HN 1.082 nan 8.270 nan 0.000 0.454 196 T N -1.156 113.443 114.554 0.074 0.000 2.888 196 T HA 0.910 5.260 4.350 -0.000 0.000 0.288 196 T C 0.103 174.904 174.700 0.167 0.000 1.063 196 T CA -0.819 61.366 62.100 0.141 0.000 1.010 196 T CB 2.396 71.404 68.868 0.234 0.000 1.214 196 T HN 0.647 nan 8.240 nan 0.000 0.533 197 G N -1.058 107.922 108.800 0.299 0.000 2.451 197 G HA2 0.739 4.699 3.960 -0.000 0.000 0.292 197 G HA3 0.739 4.699 3.960 -0.000 0.000 0.292 197 G C -1.878 173.248 174.900 0.376 0.000 1.427 197 G CA -0.412 44.899 45.100 0.352 0.000 0.792 197 G HN 1.435 nan 8.290 nan 0.000 0.498 198 A N -0.245 122.783 122.820 0.347 0.000 2.491 198 A HA 0.730 5.049 4.320 -0.000 0.000 0.293 198 A C -1.435 176.229 177.584 0.133 0.000 1.047 198 A CA -0.361 51.784 52.037 0.179 0.000 0.735 198 A CB 1.291 20.335 19.000 0.073 0.000 1.281 198 A HN 1.674 nan 8.150 nan 0.000 0.398 199 I N 2.857 123.466 120.570 0.066 0.000 2.465 199 I HA 0.734 4.904 4.170 -0.000 0.000 0.291 199 I C -1.546 174.585 176.117 0.024 0.000 1.014 199 I CA -1.116 60.210 61.300 0.043 0.000 1.093 199 I CB 1.270 39.284 38.000 0.024 0.000 1.267 199 I HN 0.644 nan 8.210 nan 0.000 0.431 200 L N 7.170 128.407 121.223 0.023 0.000 2.341 200 L HA 0.796 5.136 4.340 -0.000 0.000 0.267 200 L C -0.365 176.513 176.870 0.014 0.000 1.009 200 L CA -0.733 54.114 54.840 0.012 0.000 0.819 200 L CB 1.932 43.994 42.059 0.005 0.000 1.323 200 L HN 0.644 nan 8.230 nan 0.000 0.425 201 A N 1.932 124.755 122.820 0.005 0.000 2.271 201 A HA 0.664 4.984 4.320 -0.000 0.000 0.317 201 A C -0.472 177.113 177.584 0.003 0.000 1.245 201 A CA -0.552 51.485 52.037 0.001 0.000 0.857 201 A CB 0.864 19.856 19.000 -0.014 0.000 1.175 201 A HN 0.396 nan 8.150 nan 0.000 0.512 202 V N 3.370 123.289 119.914 0.008 0.000 2.479 202 V HA 0.167 4.287 4.120 -0.000 0.000 0.281 202 V C 1.347 177.444 176.094 0.005 0.000 1.031 202 V CA 0.935 63.243 62.300 0.013 0.000 1.038 202 V CB 0.686 32.519 31.823 0.017 0.000 0.981 202 V HN 1.085 nan 8.190 nan 0.000 0.478 203 S N 2.828 118.534 115.700 0.009 0.000 2.539 203 S HA 0.214 4.684 4.470 -0.000 0.000 0.221 203 S C 0.414 175.019 174.600 0.008 0.000 0.987 203 S CA 0.031 58.233 58.200 0.003 0.000 0.929 203 S CB -0.220 62.981 63.200 0.002 0.000 0.832 203 S HN 1.004 nan 8.310 nan 0.000 0.492 204 N N -0.308 118.399 118.700 0.011 0.000 3.644 204 N HA 0.164 4.904 4.740 -0.000 0.000 0.259 204 N C -2.084 173.429 175.510 0.005 0.000 1.323 204 N CA -0.666 52.389 53.050 0.007 0.000 0.772 204 N CB 0.446 38.938 38.487 0.009 0.000 1.574 204 N HN -0.004 nan 8.380 nan 0.000 0.387 205 R N -0.059 120.437 120.500 -0.006 0.000 2.732 205 R HA 0.587 4.927 4.340 -0.000 0.000 0.278 205 R C -0.108 176.165 176.300 -0.046 0.000 0.976 205 R CA -0.731 55.363 56.100 -0.011 0.000 0.963 205 R CB 0.511 30.806 30.300 -0.007 0.000 1.150 205 R HN 0.542 nan 8.270 nan 0.000 0.478 206 I N 2.092 122.619 120.570 -0.072 0.000 2.618 206 I HA 0.163 4.332 4.170 -0.000 0.000 0.284 206 I C 1.420 177.466 176.117 -0.118 0.000 1.146 206 I CA 1.250 62.458 61.300 -0.154 0.000 1.425 206 I CB 0.291 38.143 38.000 -0.247 0.000 1.383 206 I HN 0.934 nan 8.210 nan 0.000 0.562 207 G N 5.996 114.720 108.800 -0.127 0.000 2.697 207 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.200 207 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.200 207 G C -0.101 174.771 174.900 -0.047 0.000 1.106 207 G CA -0.581 44.471 45.100 -0.080 0.000 0.748 207 G HN 0.489 nan 8.290 nan 0.000 0.503 208 D N 2.896 123.274 120.400 -0.037 0.000 2.417 208 D HA 0.453 5.093 4.640 -0.000 0.000 0.250 208 D C -1.540 174.765 176.300 0.009 0.000 1.166 208 D CA -0.927 53.066 54.000 -0.011 0.000 0.881 208 D CB 1.295 42.091 40.800 -0.007 0.000 1.164 208 D HN 0.142 nan 8.370 nan 0.000 0.467 209 P HA -0.006 nan 4.420 nan 0.000 0.251 209 P C -0.238 177.108 177.300 0.075 0.000 1.251 209 P CA 0.776 63.916 63.100 0.067 0.000 0.763 209 P CB 0.412 32.144 31.700 0.053 0.000 1.067 210 E N -2.365 117.867 120.200 0.054 0.000 2.049 210 E HA 0.441 4.791 4.350 -0.000 0.000 0.196 210 E C -0.674 175.947 176.600 0.035 0.000 1.255 210 E CA -0.876 55.553 56.400 0.048 0.000 0.906 210 E CB 0.503 30.220 29.700 0.029 0.000 1.970 210 E HN -0.173 nan 8.360 nan 0.000 0.509 211 L N 0.157 121.391 121.223 0.019 0.000 2.235 211 L HA 0.787 5.127 4.340 -0.000 0.000 0.260 211 L C -0.113 176.756 176.870 -0.001 0.000 1.025 211 L CA -0.908 53.937 54.840 0.008 0.000 0.836 211 L CB 1.329 43.386 42.059 -0.002 0.000 1.395 211 L HN 0.621 nan 8.230 nan 0.000 0.443 212 A N -0.147 122.668 122.820 -0.007 0.000 2.301 212 A HA 0.632 4.952 4.320 -0.000 0.000 0.287 212 A C -2.397 175.178 177.584 -0.016 0.000 1.274 212 A CA -1.264 50.767 52.037 -0.010 0.000 0.865 212 A CB -0.779 18.215 19.000 -0.010 0.000 1.324 212 A HN 0.493 nan 8.150 nan 0.000 0.508 213 P HA 0.119 nan 4.420 nan 0.000 0.264 213 P C -1.882 175.401 177.300 -0.028 0.000 1.229 213 P CA -0.819 62.270 63.100 -0.019 0.000 0.780 213 P CB 0.292 31.983 31.700 -0.015 0.000 0.808 214 P HA -0.269 nan 4.420 nan 0.000 0.218 214 P C 0.971 178.238 177.300 -0.055 0.000 1.147 214 P CA 1.671 64.741 63.100 -0.049 0.000 0.827 214 P CB 0.118 31.790 31.700 -0.047 0.000 0.778 215 E N -0.244 119.933 120.200 -0.039 0.000 2.230 215 E HA -0.030 4.319 4.350 -0.000 0.000 0.192 215 E C 2.024 178.602 176.600 -0.035 0.000 0.987 215 E CA 0.694 57.073 56.400 -0.035 0.000 0.841 215 E CB -1.223 28.464 29.700 -0.022 0.000 0.783 215 E HN 0.171 nan 8.360 nan 0.000 0.481 216 V N 1.496 121.391 119.914 -0.033 0.000 2.346 216 V HA -0.179 3.941 4.120 -0.000 0.000 0.244 216 V C 2.464 178.534 176.094 -0.040 0.000 1.037 216 V CA 1.342 63.624 62.300 -0.030 0.000 1.029 216 V CB -0.608 31.202 31.823 -0.022 0.000 0.663 216 V HN 0.143 nan 8.190 nan 0.000 0.454 217 L N 0.328 121.523 121.223 -0.047 0.000 2.056 217 L HA -0.141 4.199 4.340 -0.000 0.000 0.207 217 L C 2.470 179.293 176.870 -0.079 0.000 1.078 217 L CA 2.071 56.877 54.840 -0.056 0.000 0.749 217 L CB -0.835 41.190 42.059 -0.058 0.000 0.901 217 L HN 0.350 nan 8.230 nan 0.000 0.433 218 Q N 0.156 119.896 119.800 -0.100 0.000 2.152 218 Q HA -0.294 4.046 4.340 -0.000 0.000 0.206 218 Q C 2.153 178.102 176.000 -0.085 0.000 0.985 218 Q CA 2.188 57.906 55.803 -0.142 0.000 0.863 218 Q CB -0.357 28.290 28.738 -0.151 0.000 0.904 218 Q HN 0.645 nan 8.270 nan 0.000 0.422 219 E N -1.075 119.093 120.200 -0.054 0.000 2.204 219 E HA -0.049 4.301 4.350 -0.000 0.000 0.194 219 E C 1.743 178.302 176.600 -0.068 0.000 0.989 219 E CA 1.432 57.806 56.400 -0.043 0.000 0.824 219 E CB -0.825 28.843 29.700 -0.054 0.000 0.756 219 E HN 0.446 nan 8.360 nan 0.000 0.477 220 G N 0.004 108.766 108.800 -0.063 0.000 2.402 220 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.216 220 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.216 220 G C 1.682 176.562 174.900 -0.034 0.000 1.162 220 G CA 0.908 45.974 45.100 -0.056 0.000 0.777 220 G HN 0.245 nan 8.290 nan 0.000 0.539 221 V N 0.661 120.553 119.914 -0.036 0.000 2.343 221 V HA -0.160 3.960 4.120 -0.000 0.000 0.247 221 V C 2.774 178.922 176.094 0.090 0.000 1.051 221 V CA 2.084 64.375 62.300 -0.015 0.000 1.036 221 V CB -0.479 31.273 31.823 -0.119 0.000 0.654 221 V HN 0.361 nan 8.190 nan 0.000 0.451 222 R N -0.159 120.432 120.500 0.151 0.000 2.096 222 R HA -0.130 4.210 4.340 -0.000 0.000 0.235 222 R C 2.563 178.977 176.300 0.190 0.000 1.127 222 R CA 1.440 57.752 56.100 0.354 0.000 0.968 222 R CB -0.101 30.432 30.300 0.389 0.000 0.861 222 R HN 0.458 nan 8.270 nan 0.000 0.440 223 R N -0.065 120.450 120.500 0.025 0.000 2.073 223 R HA -0.099 4.241 4.340 -0.000 0.000 0.229 223 R C 2.404 178.769 176.300 0.108 0.000 1.120 223 R CA 1.627 57.715 56.100 -0.020 0.000 0.967 223 R CB -0.351 29.724 30.300 -0.375 0.000 0.862 223 R HN 0.278 nan 8.270 nan 0.000 0.436 224 M N 0.790 120.415 119.600 0.042 0.000 2.115 224 M HA -0.230 4.250 4.480 -0.000 0.000 0.258 224 M C 2.094 178.375 176.300 -0.033 0.000 1.071 224 M CA 1.946 57.259 55.300 0.022 0.000 1.100 224 M CB -0.172 32.434 32.600 0.009 0.000 1.292 224 M HN 0.001 nan 8.290 nan 0.000 0.415 225 V N 0.745 120.606 119.914 -0.088 0.000 2.278 225 V HA -0.345 3.775 4.120 -0.000 0.000 0.251 225 V C 2.300 178.165 176.094 -0.383 0.000 1.062 225 V CA 2.565 64.690 62.300 -0.291 0.000 1.038 225 V CB -1.149 30.365 31.823 -0.515 0.000 0.646 225 V HN 0.637 nan 8.190 nan 0.000 0.447 226 E N -0.043 120.004 120.200 -0.255 0.000 2.033 226 E HA -0.232 4.118 4.350 -0.000 0.000 0.199 226 E C 2.226 178.798 176.600 -0.046 0.000 1.011 226 E CA 2.132 58.485 56.400 -0.079 0.000 0.815 226 E CB -0.153 29.692 29.700 0.242 0.000 0.755 226 E HN 0.388 nan 8.360 nan 0.000 0.451 227 V N 1.342 121.273 119.914 0.027 0.000 2.282 227 V HA -0.354 3.765 4.120 -0.000 0.000 0.249 227 V C 2.486 178.545 176.094 -0.058 0.000 1.057 227 V CA 2.116 64.414 62.300 -0.005 0.000 1.032 227 V CB -0.989 30.845 31.823 0.018 0.000 0.645 227 V HN 0.502 nan 8.190 nan 0.000 0.447 228 A N -0.538 122.229 122.820 -0.088 0.000 1.908 228 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 228 A C 2.224 179.719 177.584 -0.148 0.000 1.181 228 A CA 2.030 54.007 52.037 -0.100 0.000 0.627 228 A CB -0.555 18.383 19.000 -0.104 0.000 0.818 228 A HN 0.518 nan 8.150 nan 0.000 0.445 229 L N -0.612 120.446 121.223 -0.274 0.000 2.056 229 L HA -0.172 4.168 4.340 -0.000 0.000 0.207 229 L C 2.717 179.465 176.870 -0.205 0.000 1.078 229 L CA 1.326 55.899 54.840 -0.446 0.000 0.749 229 L CB -0.559 40.887 42.059 -1.022 0.000 0.901 229 L HN 0.395 nan 8.230 nan 0.000 0.433 230 E N 0.311 120.473 120.200 -0.064 0.000 2.051 230 E HA -0.224 4.126 4.350 -0.000 0.000 0.192 230 E C 2.295 178.917 176.600 0.036 0.000 0.991 230 E CA 1.394 57.844 56.400 0.084 0.000 0.799 230 E CB -0.279 29.455 29.700 0.057 0.000 0.748 230 E HN 0.485 nan 8.360 nan 0.000 0.449 231 A N 1.874 124.687 122.820 -0.011 0.000 1.865 231 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 231 A C 2.654 180.241 177.584 0.006 0.000 1.191 231 A CA 2.494 54.526 52.037 -0.009 0.000 0.623 231 A CB -1.172 17.815 19.000 -0.021 0.000 0.826 231 A HN 0.215 nan 8.150 nan 0.000 0.444 232 V N -1.546 118.367 119.914 -0.003 0.000 2.453 232 V HA -0.241 3.879 4.120 -0.000 0.000 0.252 232 V C 2.200 178.316 176.094 0.037 0.000 1.068 232 V CA 2.054 64.363 62.300 0.014 0.000 1.070 232 V CB -1.116 30.708 31.823 0.001 0.000 0.664 232 V HN 0.482 nan 8.190 nan 0.000 0.461 233 L N -0.408 120.850 121.223 0.059 0.000 2.291 233 L HA -0.033 4.307 4.340 -0.000 0.000 0.214 233 L C 2.954 179.852 176.870 0.047 0.000 1.120 233 L CA 1.221 56.106 54.840 0.075 0.000 0.799 233 L CB -0.740 41.392 42.059 0.122 0.000 0.925 233 L HN 0.355 nan 8.230 nan 0.000 0.446 234 E N 0.318 120.538 120.200 0.034 0.000 2.051 234 E HA -0.121 4.229 4.350 -0.000 0.000 0.192 234 E C 0.911 177.522 176.600 0.018 0.000 0.991 234 E CA 1.240 57.652 56.400 0.020 0.000 0.799 234 E CB -0.256 29.449 29.700 0.008 0.000 0.748 234 E HN 0.417 nan 8.360 nan 0.000 0.449 235 V N 0.000 119.927 119.914 0.022 0.000 2.409 235 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 235 V CA 0.000 62.313 62.300 0.022 0.000 1.235 235 V CB 0.000 31.837 31.823 0.024 0.000 1.184 235 V HN 0.000 nan 8.190 nan 0.000 0.556