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 2hbx_1_A DATA FIRST_RESID 3 DATA SEQUENCE KPRIDMHSHF FPRISEQEAA KFDANHAPWL QVSAKGDTGS IMMGKNNFRP DATA SEQUENCE VYQALWDPAF RIEEMDAQGV DVQVTCATPV MFGYTWEANK AAQWAERMND DATA SEQUENCE FALEFAAHNP QRIKVLAQVP LQDLDLACKE ASRAVAAGHL GIQIGNHLGD DATA SEQUENCE KDLDDATLEA FLTHCANEDI PILVHPWDMM GGQRMKKWML PWLVAMPAET DATA SEQUENCE QLAILSLILS GAFERIPKSL KICFGHGGGS FAFLLGRVDN AWRHRDIVRE DATA SEQUENCE DCPRPPSEYV DRFFVDSAVF NPGALELLVS VMGEDRVMLG SDYPFPLGEQ DATA SEQUENCE KIGGLVLSSN LGESAKDKII SGNASKFFNI NV 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 3 K HA 0.000 nan 4.320 nan 0.000 0.191 3 K C 0.000 176.602 176.600 0.003 0.000 0.988 3 K CA 0.000 56.291 56.287 0.006 0.000 0.838 3 K CB 0.000 32.505 32.500 0.008 0.000 1.064 4 P HA 0.106 nan 4.420 nan 0.000 0.263 4 P C -0.375 176.924 177.300 -0.002 0.000 1.195 4 P CA 0.038 63.135 63.100 -0.005 0.000 0.762 4 P CB 0.522 32.218 31.700 -0.007 0.000 0.799 5 R N 2.921 123.415 120.500 -0.009 0.000 2.484 5 R HA 0.214 4.554 4.340 -0.001 0.000 0.293 5 R C 0.335 176.627 176.300 -0.013 0.000 1.023 5 R CA 0.081 56.176 56.100 -0.008 0.000 1.037 5 R CB -0.039 30.250 30.300 -0.017 0.000 0.951 5 R HN 0.512 nan 8.270 nan 0.000 0.418 6 I N 2.523 123.093 120.570 -0.000 0.000 2.339 6 I HA 0.082 4.252 4.170 -0.001 0.000 0.290 6 I C -0.200 175.914 176.117 -0.005 0.000 0.994 6 I CA -0.668 60.629 61.300 -0.005 0.000 1.191 6 I CB 1.578 39.591 38.000 0.022 0.000 1.343 6 I HN 0.473 nan 8.210 nan 0.000 0.458 7 D N 7.610 127.994 120.400 -0.026 0.000 2.373 7 D HA 0.296 4.935 4.640 -0.001 0.000 0.227 7 D C 0.275 176.565 176.300 -0.017 0.000 1.091 7 D CA -0.627 53.365 54.000 -0.012 0.000 0.840 7 D CB 1.271 42.054 40.800 -0.028 0.000 1.060 7 D HN 0.417 nan 8.370 nan 0.000 0.502 8 M N 2.221 121.828 119.600 0.011 0.000 2.419 8 M HA 0.306 4.786 4.480 -0.001 0.000 0.252 8 M C -0.605 175.714 176.300 0.032 0.000 1.143 8 M CA -0.150 55.126 55.300 -0.040 0.000 0.985 8 M CB -0.669 31.943 32.600 0.020 0.000 1.489 8 M HN 0.368 nan 8.290 nan 0.000 0.484 9 H N 0.955 120.005 119.070 -0.035 0.000 3.036 9 H HA 0.698 5.253 4.556 -0.001 0.000 0.295 9 H C -1.351 173.951 175.328 -0.043 0.000 1.124 9 H CA -0.282 55.742 56.048 -0.040 0.000 1.507 9 H CB 0.661 30.414 29.762 -0.015 0.000 1.591 9 H HN 0.391 nan 8.280 nan 0.000 0.510 10 S N 3.953 119.701 115.700 0.079 0.000 2.596 10 S HA 0.479 4.949 4.470 -0.001 0.000 0.270 10 S C -1.564 172.926 174.600 -0.183 0.000 1.155 10 S CA -1.008 57.236 58.200 0.074 0.000 0.827 10 S CB 2.361 65.684 63.200 0.205 0.000 1.130 10 S HN 0.616 nan 8.310 nan 0.000 0.467 11 H N 0.272 119.506 119.070 0.272 0.000 2.797 11 H HA 0.716 5.271 4.556 -0.001 0.000 0.372 11 H C -1.038 174.357 175.328 0.112 0.000 1.168 11 H CA -0.498 55.685 56.048 0.226 0.000 1.163 11 H CB 1.779 31.767 29.762 0.377 0.000 1.778 11 H HN 0.788 nan 8.280 nan 0.000 0.551 12 F N 0.184 120.130 119.950 -0.006 0.000 2.620 12 F HA 0.695 5.221 4.527 -0.001 0.000 0.320 12 F C -2.038 173.739 175.800 -0.039 0.000 1.069 12 F CA -1.145 56.727 58.000 -0.214 0.000 0.953 12 F CB 2.160 40.754 39.000 -0.677 0.000 1.322 12 F HN 0.351 nan 8.300 nan 0.000 0.479 13 F N 3.582 123.219 119.950 -0.521 0.000 2.573 13 F HA 0.616 5.143 4.527 -0.001 0.000 0.316 13 F C -2.715 172.896 175.800 -0.314 0.000 1.148 13 F CA -2.244 55.403 58.000 -0.588 0.000 0.940 13 F CB 2.383 41.237 39.000 -0.244 0.000 1.214 13 F HN 0.354 nan 8.300 nan 0.000 0.448 14 P HA 0.187 nan 4.420 nan 0.000 0.276 14 P C -0.840 176.257 177.300 -0.339 0.000 1.244 14 P CA -0.575 62.268 63.100 -0.428 0.000 0.801 14 P CB 0.862 31.962 31.700 -1.001 0.000 1.006 15 R N 2.270 122.573 120.500 -0.329 0.000 2.606 15 R HA 0.232 4.571 4.340 -0.001 0.000 0.276 15 R C 0.085 176.221 176.300 -0.273 0.000 1.416 15 R CA 0.107 56.077 56.100 -0.217 0.000 1.064 15 R CB -1.614 28.647 30.300 -0.066 0.000 1.117 15 R HN 0.496 nan 8.270 nan 0.000 0.543 16 I N 0.318 120.812 120.570 -0.126 0.000 2.493 16 I HA 0.251 4.420 4.170 -0.001 0.000 0.298 16 I C 0.818 177.048 176.117 0.188 0.000 0.998 16 I CA -0.869 60.459 61.300 0.047 0.000 1.137 16 I CB 1.879 39.947 38.000 0.112 0.000 1.310 16 I HN 0.263 nan 8.210 nan 0.000 0.445 17 S N 2.607 118.381 115.700 0.123 0.000 2.672 17 S HA 0.242 4.712 4.470 -0.001 0.000 0.276 17 S C 0.912 175.335 174.600 -0.295 0.000 1.207 17 S CA -0.537 57.661 58.200 -0.003 0.000 1.002 17 S CB 1.850 65.019 63.200 -0.052 0.000 0.998 17 S HN 0.828 nan 8.310 nan 0.000 0.542 18 E N 0.663 120.252 120.200 -1.017 0.000 2.086 18 E HA -0.361 3.989 4.350 -0.001 0.000 0.200 18 E C 2.049 178.239 176.600 -0.683 0.000 1.012 18 E CA 1.949 57.318 56.400 -1.718 0.000 0.812 18 E CB -0.315 28.296 29.700 -1.815 0.000 0.743 18 E HN 0.846 nan 8.360 nan 0.000 0.453 19 Q N 0.276 119.837 119.800 -0.398 0.000 2.061 19 Q HA -0.247 4.092 4.340 -0.001 0.000 0.204 19 Q C 1.920 177.879 176.000 -0.069 0.000 0.984 19 Q CA 2.221 57.909 55.803 -0.190 0.000 0.846 19 Q CB -0.011 28.650 28.738 -0.129 0.000 0.902 19 Q HN 0.401 nan 8.270 nan 0.000 0.421 20 E N -0.038 120.166 120.200 0.006 0.000 2.072 20 E HA -0.160 4.189 4.350 -0.001 0.000 0.191 20 E C 2.009 178.817 176.600 0.347 0.000 0.985 20 E CA 0.805 57.313 56.400 0.180 0.000 0.801 20 E CB -0.182 29.661 29.700 0.239 0.000 0.750 20 E HN 0.519 nan 8.360 nan 0.000 0.452 21 A N 1.756 124.735 122.820 0.265 0.000 1.902 21 A HA -0.123 4.196 4.320 -0.001 0.000 0.217 21 A C 2.449 180.152 177.584 0.200 0.000 1.181 21 A CA 1.675 53.926 52.037 0.357 0.000 0.623 21 A CB -0.714 18.481 19.000 0.324 0.000 0.818 21 A HN 0.287 nan 8.150 nan 0.000 0.443 22 A N -0.120 122.711 122.820 0.020 0.000 1.940 22 A HA -0.210 4.110 4.320 -0.001 0.000 0.219 22 A C 2.036 179.603 177.584 -0.028 0.000 1.176 22 A CA 1.898 53.909 52.037 -0.043 0.000 0.631 22 A CB -0.492 18.445 19.000 -0.105 0.000 0.814 22 A HN 0.548 nan 8.150 nan 0.000 0.446 23 K N -1.913 118.488 120.400 0.003 0.000 2.442 23 K HA -0.075 4.244 4.320 -0.001 0.000 0.198 23 K C 1.076 177.545 176.600 -0.218 0.000 1.044 23 K CA 1.171 57.398 56.287 -0.100 0.000 0.948 23 K CB -0.219 32.209 32.500 -0.120 0.000 0.762 23 K HN 0.611 nan 8.250 nan 0.000 0.472 24 F N -0.174 119.749 119.950 -0.045 0.000 2.419 24 F HA 0.111 4.638 4.527 -0.000 0.000 0.283 24 F C 0.496 176.077 175.800 -0.365 0.000 1.044 24 F CA -0.002 57.916 58.000 -0.137 0.000 1.376 24 F CB 0.719 39.666 39.000 -0.089 0.000 1.131 24 F HN -0.146 nan 8.300 nan 0.000 0.585 25 D N -0.842 119.438 120.400 -0.200 0.000 2.369 25 D HA 0.253 4.892 4.640 -0.001 0.000 0.212 25 D C 0.452 176.613 176.300 -0.231 0.000 1.326 25 D CA 0.190 53.986 54.000 -0.341 0.000 0.933 25 D CB 1.309 41.696 40.800 -0.688 0.000 1.516 25 D HN 0.119 nan 8.370 nan 0.000 0.557 26 A N 3.771 126.483 122.820 -0.179 0.000 1.986 26 A HA -0.216 4.104 4.320 -0.001 0.000 0.220 26 A C 1.564 179.056 177.584 -0.153 0.000 1.171 26 A CA 1.445 53.402 52.037 -0.133 0.000 0.640 26 A CB -0.057 18.871 19.000 -0.121 0.000 0.811 26 A HN 0.601 nan 8.150 nan 0.000 0.451 27 N N -1.979 116.535 118.700 -0.310 0.000 2.454 27 N HA 0.017 4.757 4.740 -0.001 0.000 0.177 27 N C 0.814 176.047 175.510 -0.462 0.000 1.049 27 N CA 0.897 53.665 53.050 -0.470 0.000 0.887 27 N CB -0.029 37.987 38.487 -0.785 0.000 1.095 27 N HN 0.622 nan 8.380 nan 0.000 0.446 28 H N -0.538 118.466 119.070 -0.109 0.000 2.893 28 H HA 0.413 4.969 4.556 -0.001 0.000 0.270 28 H C 0.072 175.377 175.328 -0.040 0.000 1.095 28 H CA -0.353 55.654 56.048 -0.068 0.000 1.186 28 H CB 0.684 30.410 29.762 -0.060 0.000 1.562 28 H HN 0.024 nan 8.280 nan 0.000 0.536 29 A N 3.828 126.595 122.820 -0.088 0.000 2.320 29 A HA 0.422 4.742 4.320 -0.001 0.000 0.287 29 A C -2.295 175.402 177.584 0.187 0.000 1.181 29 A CA -1.323 50.664 52.037 -0.085 0.000 0.831 29 A CB 0.529 19.329 19.000 -0.333 0.000 1.102 29 A HN -0.061 nan 8.150 nan 0.000 0.513 30 P HA 0.326 nan 4.420 nan 0.000 0.278 30 P C -0.516 177.155 177.300 0.617 0.000 1.238 30 P CA -0.057 63.232 63.100 0.315 0.000 0.794 30 P CB 0.654 32.519 31.700 0.276 0.000 0.955 31 W N 2.444 123.908 121.300 0.273 0.000 3.060 31 W HA 0.640 5.301 4.660 0.001 0.000 0.346 31 W C -2.390 174.189 176.519 0.100 0.000 1.194 31 W CA -1.247 56.262 57.345 0.273 0.000 1.105 31 W CB 0.700 30.254 29.460 0.157 0.000 1.487 31 W HN 0.117 nan 8.180 nan 0.000 0.592 32 L N 2.215 123.644 121.223 0.343 0.000 2.319 32 L HA 0.362 4.702 4.340 -0.001 0.000 0.281 32 L C -0.123 176.722 176.870 -0.041 0.000 1.005 32 L CA -0.485 54.308 54.840 -0.078 0.000 0.828 32 L CB 1.635 43.661 42.059 -0.055 0.000 1.227 32 L HN 0.516 nan 8.230 nan 0.000 0.415 33 Q N 4.100 123.736 119.800 -0.274 0.000 2.290 33 Q HA 0.642 4.981 4.340 -0.001 0.000 0.259 33 Q C -1.738 174.095 176.000 -0.278 0.000 0.941 33 Q CA -0.687 55.025 55.803 -0.153 0.000 0.912 33 Q CB 1.633 30.243 28.738 -0.214 0.000 1.244 33 Q HN 0.587 nan 8.270 nan 0.000 0.441 34 V N 3.315 123.081 119.914 -0.246 0.000 2.555 34 V HA 0.334 4.453 4.120 -0.001 0.000 0.302 34 V C 0.035 176.061 176.094 -0.113 0.000 1.038 34 V CA -0.763 61.349 62.300 -0.312 0.000 0.887 34 V CB 1.627 33.196 31.823 -0.423 0.000 0.991 34 V HN 0.991 nan 8.190 nan 0.000 0.434 35 S N 3.639 119.311 115.700 -0.046 0.000 2.576 35 S HA 0.345 4.814 4.470 -0.001 0.000 0.272 35 S C 1.461 176.068 174.600 0.012 0.000 1.352 35 S CA 0.179 58.378 58.200 -0.001 0.000 1.021 35 S CB 1.259 64.475 63.200 0.027 0.000 0.887 35 S HN 1.247 nan 8.310 nan 0.000 0.542 36 A N 2.040 124.869 122.820 0.015 0.000 1.948 36 A HA -0.164 4.156 4.320 -0.001 0.000 0.220 36 A C 2.193 179.796 177.584 0.032 0.000 1.177 36 A CA 1.999 54.048 52.037 0.021 0.000 0.636 36 A CB -0.970 18.041 19.000 0.019 0.000 0.815 36 A HN 0.967 nan 8.150 nan 0.000 0.449 37 K N -1.722 118.700 120.400 0.037 0.000 2.097 37 K HA -0.025 4.295 4.320 -0.001 0.000 0.206 37 K C 1.206 177.843 176.600 0.061 0.000 1.049 37 K CA 1.355 57.669 56.287 0.045 0.000 0.933 37 K CB -0.305 32.220 32.500 0.041 0.000 0.717 37 K HN 0.846 nan 8.250 nan 0.000 0.442 38 G N 0.678 109.527 108.800 0.082 0.000 2.159 38 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.227 38 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.227 38 G C 0.345 175.356 174.900 0.186 0.000 0.986 38 G CA 0.630 45.813 45.100 0.139 0.000 0.651 38 G HN 0.587 nan 8.290 nan 0.000 0.523 39 D N 0.211 120.681 120.400 0.118 0.000 2.323 39 D HA 0.140 4.780 4.640 -0.001 0.000 0.218 39 D C 1.382 177.750 176.300 0.114 0.000 0.973 39 D CA 1.657 55.670 54.000 0.021 0.000 0.890 39 D CB -0.501 40.298 40.800 -0.001 0.000 1.011 39 D HN 0.840 nan 8.370 nan 0.000 0.499 40 T N -3.266 111.410 114.554 0.202 0.000 2.926 40 T HA 0.730 5.080 4.350 -0.001 0.000 0.289 40 T C 0.286 175.155 174.700 0.281 0.000 1.054 40 T CA -0.290 61.965 62.100 0.258 0.000 1.015 40 T CB 2.309 71.251 68.868 0.123 0.000 1.167 40 T HN 0.336 nan 8.240 nan 0.000 0.526 41 G N -0.373 108.554 108.800 0.211 0.000 2.554 41 G HA2 0.583 4.542 3.960 -0.001 0.000 0.306 41 G HA3 0.583 4.542 3.960 -0.001 0.000 0.306 41 G C -1.654 173.209 174.900 -0.062 0.000 1.320 41 G CA -0.881 44.206 45.100 -0.022 0.000 0.800 41 G HN 0.925 nan 8.290 nan 0.000 0.481 42 S N -0.602 114.979 115.700 -0.198 0.000 2.575 42 S HA 0.475 4.945 4.470 -0.001 0.000 0.278 42 S C -0.425 173.937 174.600 -0.397 0.000 1.139 42 S CA -0.478 57.583 58.200 -0.233 0.000 0.954 42 S CB 1.524 64.589 63.200 -0.226 0.000 1.054 42 S HN 0.613 nan 8.310 nan 0.000 0.483 43 I N 3.992 124.319 120.570 -0.406 0.000 2.587 43 I HA 0.076 4.246 4.170 -0.001 0.000 0.284 43 I C 0.044 175.902 176.117 -0.431 0.000 1.134 43 I CA 0.465 61.422 61.300 -0.573 0.000 1.410 43 I CB 0.221 37.912 38.000 -0.515 0.000 1.392 43 I HN 0.354 nan 8.210 nan 0.000 0.545 44 M N 7.288 126.465 119.600 -0.705 0.000 2.537 44 M HA 0.514 4.994 4.480 -0.001 0.000 0.324 44 M C -0.492 175.516 176.300 -0.486 0.000 1.187 44 M CA -0.515 54.322 55.300 -0.772 0.000 0.993 44 M CB 1.895 33.434 32.600 -1.770 0.000 1.666 44 M HN 0.441 nan 8.290 nan 0.000 0.461 45 M N 1.351 120.836 119.600 -0.192 0.000 2.142 45 M HA 0.405 4.885 4.480 -0.001 0.000 0.299 45 M C 0.661 177.019 176.300 0.097 0.000 0.960 45 M CA 0.044 55.335 55.300 -0.014 0.000 0.920 45 M CB 1.378 33.995 32.600 0.029 0.000 1.541 45 M HN 1.021 nan 8.290 nan 0.000 0.429 46 G N 4.451 113.389 108.800 0.230 0.000 2.622 46 G HA2 -0.319 3.640 3.960 -0.001 0.000 0.307 46 G HA3 -0.319 3.640 3.960 -0.001 0.000 0.307 46 G C 0.420 175.550 174.900 0.384 0.000 1.226 46 G CA 0.347 45.590 45.100 0.240 0.000 0.997 46 G HN 0.719 nan 8.290 nan 0.000 0.551 47 K N 1.410 121.935 120.400 0.208 0.000 2.387 47 K HA 0.162 4.482 4.320 -0.001 0.000 0.198 47 K C 0.288 176.953 176.600 0.108 0.000 1.022 47 K CA 0.137 56.549 56.287 0.208 0.000 1.128 47 K CB 0.092 32.666 32.500 0.123 0.000 0.853 47 K HN 0.423 nan 8.250 nan 0.000 0.523 48 N N 1.242 119.978 118.700 0.060 0.000 2.405 48 N HA 0.071 4.810 4.740 -0.001 0.000 0.299 48 N C -0.797 174.681 175.510 -0.053 0.000 1.075 48 N CA -0.617 52.438 53.050 0.009 0.000 0.884 48 N CB 0.840 39.345 38.487 0.030 0.000 1.194 48 N HN -0.024 nan 8.380 nan 0.000 0.491 49 N N 1.981 120.637 118.700 -0.073 0.000 2.452 49 N HA -0.031 4.708 4.740 -0.001 0.000 0.266 49 N C -0.211 175.263 175.510 -0.059 0.000 1.209 49 N CA 0.307 53.289 53.050 -0.113 0.000 0.929 49 N CB 0.361 38.782 38.487 -0.109 0.000 1.063 49 N HN 0.520 nan 8.380 nan 0.000 0.472 50 F N 5.000 124.816 119.950 -0.223 0.000 2.164 50 F HA 0.167 4.694 4.527 -0.001 0.000 0.287 50 F C 0.929 176.625 175.800 -0.173 0.000 1.086 50 F CA 0.746 58.636 58.000 -0.182 0.000 1.249 50 F CB 0.283 39.166 39.000 -0.196 0.000 1.059 50 F HN 0.568 nan 8.300 nan 0.000 0.490 51 R N 0.215 120.623 120.500 -0.154 0.000 2.629 51 R HA 0.411 4.750 4.340 -0.001 0.000 0.266 51 R C -3.296 172.938 176.300 -0.110 0.000 1.051 51 R CA -1.941 54.027 56.100 -0.221 0.000 0.895 51 R CB 1.373 31.494 30.300 -0.298 0.000 1.246 51 R HN -0.153 nan 8.270 nan 0.000 0.459 52 P HA 0.248 nan 4.420 nan 0.000 0.278 52 P C -0.605 176.723 177.300 0.046 0.000 1.238 52 P CA -0.417 62.663 63.100 -0.032 0.000 0.794 52 P CB 1.585 33.264 31.700 -0.035 0.000 0.955 53 V N 0.203 120.177 119.914 0.099 0.000 3.232 53 V HA 0.777 4.896 4.120 -0.001 0.000 0.303 53 V C -1.285 174.981 176.094 0.286 0.000 1.311 53 V CA -1.145 61.265 62.300 0.183 0.000 1.061 53 V CB 1.639 33.550 31.823 0.146 0.000 1.085 53 V HN 0.701 nan 8.190 nan 0.000 0.447 54 Y N -1.141 119.151 120.300 -0.013 0.000 2.698 54 Y HA 0.629 5.179 4.550 -0.001 0.000 0.332 54 Y C 1.330 176.768 175.900 -0.769 0.000 1.119 54 Y CA -0.524 57.467 58.100 -0.182 0.000 1.109 54 Y CB 1.647 40.002 38.460 -0.174 0.000 1.308 54 Y HN 0.753 nan 8.280 nan 0.000 0.499 55 Q N 0.876 119.979 119.800 -1.162 0.000 2.173 55 Q HA -0.215 4.124 4.340 -0.001 0.000 0.208 55 Q C 2.003 177.048 176.000 -1.591 0.000 0.989 55 Q CA 2.621 57.245 55.803 -1.966 0.000 0.872 55 Q CB -0.427 27.297 28.738 -1.690 0.000 0.909 55 Q HN 0.916 nan 8.270 nan 0.000 0.420 56 A N 0.081 122.218 122.820 -1.138 0.000 2.131 56 A HA -0.162 4.158 4.320 -0.001 0.000 0.220 56 A C 1.849 179.165 177.584 -0.447 0.000 1.158 56 A CA 1.114 52.851 52.037 -0.500 0.000 0.665 56 A CB -0.448 18.291 19.000 -0.434 0.000 0.795 56 A HN 0.483 nan 8.150 nan 0.000 0.460 57 L N -1.667 119.165 121.223 -0.652 0.000 2.270 57 L HA 0.067 4.406 4.340 -0.001 0.000 0.210 57 L C 1.810 178.721 176.870 0.070 0.000 1.104 57 L CA 1.743 56.419 54.840 -0.274 0.000 0.804 57 L CB -0.289 41.621 42.059 -0.249 0.000 0.937 57 L HN 0.753 nan 8.230 nan 0.000 0.450 58 W N -2.813 118.530 121.300 0.071 0.000 2.871 58 W HA 0.401 5.061 4.660 -0.000 0.000 0.340 58 W C -0.103 176.636 176.519 0.367 0.000 1.058 58 W CA -0.531 56.946 57.345 0.220 0.000 1.633 58 W CB -0.215 29.305 29.460 0.100 0.000 1.067 58 W HN -0.034 nan 8.180 nan 0.000 0.554 59 D N 2.410 122.790 120.400 -0.033 0.000 2.440 59 D HA 0.246 4.885 4.640 -0.001 0.000 0.239 59 D C -1.478 174.747 176.300 -0.124 0.000 1.084 59 D CA -2.673 51.289 54.000 -0.064 0.000 0.843 59 D CB 2.383 43.021 40.800 -0.269 0.000 1.097 59 D HN -0.212 nan 8.370 nan 0.000 0.531 60 P HA -0.030 nan 4.420 nan 0.000 0.221 60 P C 0.952 177.817 177.300 -0.726 0.000 1.150 60 P CA 0.534 63.099 63.100 -0.892 0.000 0.800 60 P CB 0.423 31.338 31.700 -1.309 0.000 0.787 61 A N -0.235 122.135 122.820 -0.750 0.000 1.854 61 A HA -0.123 4.196 4.320 -0.001 0.000 0.214 61 A C 2.135 179.644 177.584 -0.125 0.000 1.192 61 A CA 0.986 52.745 52.037 -0.462 0.000 0.611 61 A CB -1.812 17.026 19.000 -0.271 0.000 0.832 61 A HN 0.087 nan 8.150 nan 0.000 0.442 62 F N 0.729 120.558 119.950 -0.201 0.000 2.120 62 F HA -0.228 4.299 4.527 -0.001 0.000 0.300 62 F C 2.420 178.169 175.800 -0.086 0.000 1.095 62 F CA 2.232 60.156 58.000 -0.127 0.000 1.249 62 F CB -0.156 38.740 39.000 -0.173 0.000 0.995 62 F HN 0.218 nan 8.300 nan 0.000 0.480 63 R N 0.322 120.853 120.500 0.051 0.000 2.081 63 R HA -0.174 4.166 4.340 -0.001 0.000 0.235 63 R C 2.211 178.480 176.300 -0.051 0.000 1.131 63 R CA 1.766 57.906 56.100 0.067 0.000 0.960 63 R CB -0.391 30.007 30.300 0.163 0.000 0.856 63 R HN 0.280 nan 8.270 nan 0.000 0.436 64 I N 1.762 122.287 120.570 -0.076 0.000 2.194 64 I HA -0.269 3.900 4.170 -0.001 0.000 0.246 64 I C 2.125 178.181 176.117 -0.101 0.000 1.093 64 I CA 1.501 62.764 61.300 -0.062 0.000 1.355 64 I CB -1.080 36.931 38.000 0.018 0.000 1.046 64 I HN 0.285 nan 8.210 nan 0.000 0.413 65 E N 0.648 120.754 120.200 -0.156 0.000 2.077 65 E HA -0.210 4.140 4.350 -0.001 0.000 0.193 65 E C 2.077 178.564 176.600 -0.187 0.000 0.989 65 E CA 1.076 57.363 56.400 -0.189 0.000 0.800 65 E CB -0.193 29.337 29.700 -0.283 0.000 0.746 65 E HN 0.583 nan 8.360 nan 0.000 0.452 66 E N 0.164 120.236 120.200 -0.214 0.000 2.106 66 E HA -0.098 4.252 4.350 -0.001 0.000 0.192 66 E C 2.203 178.723 176.600 -0.134 0.000 0.984 66 E CA 0.720 57.043 56.400 -0.127 0.000 0.806 66 E CB -0.107 29.601 29.700 0.013 0.000 0.750 66 E HN 0.210 nan 8.360 nan 0.000 0.458 67 M N 0.918 120.412 119.600 -0.176 0.000 2.080 67 M HA -0.204 4.276 4.480 -0.001 0.000 0.260 67 M C 1.732 177.961 176.300 -0.117 0.000 1.068 67 M CA 1.361 56.550 55.300 -0.184 0.000 1.109 67 M CB -0.212 32.286 32.600 -0.169 0.000 1.342 67 M HN -0.033 nan 8.290 nan 0.000 0.405 68 D N 0.559 120.901 120.400 -0.097 0.000 2.116 68 D HA -0.157 4.482 4.640 -0.001 0.000 0.193 68 D C 1.951 178.212 176.300 -0.064 0.000 0.998 68 D CA 1.876 55.833 54.000 -0.072 0.000 0.836 68 D CB -0.311 40.449 40.800 -0.067 0.000 0.951 68 D HN 0.393 nan 8.370 nan 0.000 0.449 69 A N 0.394 123.172 122.820 -0.070 0.000 2.015 69 A HA -0.155 4.165 4.320 -0.001 0.000 0.219 69 A C 2.038 179.599 177.584 -0.039 0.000 1.163 69 A CA 1.122 53.129 52.037 -0.051 0.000 0.646 69 A CB -0.220 18.749 19.000 -0.052 0.000 0.806 69 A HN 0.137 nan 8.150 nan 0.000 0.448 70 Q N -1.988 117.781 119.800 -0.052 0.000 2.354 70 Q HA 0.137 4.476 4.340 -0.001 0.000 0.203 70 Q C 1.209 177.185 176.000 -0.041 0.000 0.933 70 Q CA 0.830 56.607 55.803 -0.043 0.000 0.901 70 Q CB 0.315 29.011 28.738 -0.069 0.000 1.007 70 Q HN 0.947 nan 8.270 nan 0.000 0.495 71 G N 0.850 109.621 108.800 -0.049 0.000 2.132 71 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.234 71 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.234 71 G C 0.051 174.922 174.900 -0.048 0.000 0.989 71 G CA 0.180 45.255 45.100 -0.040 0.000 0.676 71 G HN 0.185 nan 8.290 nan 0.000 0.522 72 V N 1.326 121.197 119.914 -0.072 0.000 2.408 72 V HA 0.284 4.403 4.120 -0.001 0.000 0.267 72 V C 0.993 177.042 176.094 -0.075 0.000 1.047 72 V CA 0.127 62.379 62.300 -0.081 0.000 0.937 72 V CB 1.422 33.167 31.823 -0.130 0.000 0.999 72 V HN 0.299 nan 8.190 nan 0.000 0.472 73 D N 3.007 123.375 120.400 -0.055 0.000 2.240 73 D HA 0.078 4.717 4.640 -0.001 0.000 0.206 73 D C 0.207 176.477 176.300 -0.049 0.000 0.963 73 D CA 1.103 55.074 54.000 -0.047 0.000 0.863 73 D CB 1.156 41.936 40.800 -0.033 0.000 0.973 73 D HN 0.382 nan 8.370 nan 0.000 0.501 74 V N 1.019 120.903 119.914 -0.050 0.000 2.686 74 V HA 0.260 4.380 4.120 -0.001 0.000 0.306 74 V C -0.592 175.463 176.094 -0.066 0.000 1.065 74 V CA -0.814 61.455 62.300 -0.053 0.000 0.894 74 V CB 2.574 34.371 31.823 -0.042 0.000 1.004 74 V HN -0.106 nan 8.190 nan 0.000 0.424 75 Q N 2.601 122.358 119.800 -0.071 0.000 2.333 75 Q HA 0.737 5.076 4.340 -0.001 0.000 0.267 75 Q C -1.594 174.353 176.000 -0.090 0.000 1.012 75 Q CA -0.525 55.234 55.803 -0.073 0.000 0.824 75 Q CB 2.353 31.053 28.738 -0.063 0.000 1.290 75 Q HN 0.624 nan 8.270 nan 0.000 0.449 76 V N 2.875 122.704 119.914 -0.142 0.000 2.427 76 V HA 0.535 4.655 4.120 -0.001 0.000 0.286 76 V C -0.020 176.004 176.094 -0.116 0.000 1.034 76 V CA -0.386 61.787 62.300 -0.212 0.000 0.893 76 V CB 1.499 33.033 31.823 -0.482 0.000 0.982 76 V HN 0.829 nan 8.190 nan 0.000 0.452 77 T N 3.923 118.431 114.554 -0.077 0.000 2.903 77 T HA 0.720 5.069 4.350 -0.001 0.000 0.299 77 T C -0.666 174.060 174.700 0.043 0.000 1.093 77 T CA -0.303 61.791 62.100 -0.010 0.000 1.002 77 T CB 1.170 70.055 68.868 0.029 0.000 1.127 77 T HN 1.077 nan 8.240 nan 0.000 0.488 78 C N 1.466 120.875 119.300 0.183 0.000 3.323 78 C HA 0.961 5.420 4.460 -0.001 0.000 0.324 78 C C 0.626 175.887 174.990 0.452 0.000 1.428 78 C CA -1.147 58.063 59.018 0.320 0.000 1.368 78 C CB 0.406 28.275 27.740 0.216 0.000 1.731 78 C HN 1.189 nan 8.230 nan 0.000 0.455 79 A N 1.069 124.090 122.820 0.335 0.000 2.624 79 A HA 0.408 4.728 4.320 -0.001 0.000 0.231 79 A C 0.566 178.113 177.584 -0.062 0.000 1.034 79 A CA 0.849 52.867 52.037 -0.032 0.000 0.754 79 A CB -0.560 18.422 19.000 -0.031 0.000 0.953 79 A HN 1.067 nan 8.150 nan 0.000 0.509 80 T N 5.301 119.721 114.554 -0.223 0.000 2.870 80 T HA 0.294 4.643 4.350 -0.001 0.000 0.300 80 T C -1.597 172.771 174.700 -0.553 0.000 0.989 80 T CA -0.445 61.527 62.100 -0.214 0.000 1.139 80 T CB 0.873 69.801 68.868 0.100 0.000 0.920 80 T HN 0.496 nan 8.240 nan 0.000 0.537 81 P HA -0.105 nan 4.420 nan 0.000 0.218 81 P C 1.547 178.265 177.300 -0.970 0.000 1.146 81 P CA 0.349 62.623 63.100 -1.376 0.000 0.813 81 P CB 0.083 31.395 31.700 -0.646 0.000 0.778 82 V N -1.315 118.330 119.914 -0.448 0.000 3.026 82 V HA -0.189 3.931 4.120 -0.001 0.000 0.265 82 V C 1.774 177.696 176.094 -0.287 0.000 1.121 82 V CA 1.563 63.672 62.300 -0.319 0.000 1.142 82 V CB -0.988 30.522 31.823 -0.522 0.000 0.730 82 V HN 0.090 nan 8.190 nan 0.000 0.503 83 M N -1.385 118.002 119.600 -0.356 0.000 2.562 83 M HA 0.026 4.505 4.480 -0.001 0.000 0.257 83 M C 1.734 177.935 176.300 -0.165 0.000 1.099 83 M CA 1.430 56.629 55.300 -0.168 0.000 1.099 83 M CB -0.271 32.164 32.600 -0.276 0.000 1.427 83 M HN 0.369 nan 8.290 nan 0.000 0.489 84 F N 0.611 120.242 119.950 -0.531 0.000 2.134 84 F HA -0.100 4.427 4.527 -0.001 0.000 0.299 84 F C 1.924 177.205 175.800 -0.865 0.000 1.097 84 F CA 0.607 58.081 58.000 -0.877 0.000 1.264 84 F CB -0.505 37.398 39.000 -1.829 0.000 1.001 84 F HN 0.373 nan 8.300 nan 0.000 0.479 85 G N -0.425 107.880 108.800 -0.825 0.000 2.221 85 G HA2 -0.345 3.615 3.960 -0.001 0.000 0.265 85 G HA3 -0.345 3.615 3.960 -0.001 0.000 0.265 85 G C 0.425 174.839 174.900 -0.811 0.000 1.041 85 G CA 0.294 44.460 45.100 -1.557 0.000 0.807 85 G HN 0.552 nan 8.290 nan 0.000 0.502 86 Y N 0.053 120.109 120.300 -0.405 0.000 2.403 86 Y HA -0.172 4.378 4.550 -0.001 0.000 0.291 86 Y C 3.041 178.910 175.900 -0.053 0.000 1.143 86 Y CA 1.367 59.351 58.100 -0.193 0.000 1.257 86 Y CB 0.114 38.538 38.460 -0.062 0.000 0.984 86 Y HN 0.562 nan 8.280 nan 0.000 0.550 87 T N -3.604 111.046 114.554 0.161 0.000 3.129 87 T HA -0.024 4.325 4.350 -0.001 0.000 0.251 87 T C 0.185 175.082 174.700 0.329 0.000 1.117 87 T CA -0.370 61.860 62.100 0.218 0.000 1.034 87 T CB -0.238 68.761 68.868 0.218 0.000 0.968 87 T HN 0.026 nan 8.240 nan 0.000 0.526 88 W N 2.150 123.482 121.300 0.054 0.000 2.089 88 W HA 0.546 5.205 4.660 -0.001 0.000 0.362 88 W C 0.751 177.296 176.519 0.043 0.000 1.362 88 W CA -2.116 55.248 57.345 0.032 0.000 1.460 88 W CB -0.009 29.452 29.460 0.002 0.000 1.204 88 W HN 0.027 nan 8.180 nan 0.000 0.657 89 E N 0.808 121.187 120.200 0.297 0.000 2.452 89 E HA 0.099 4.449 4.350 -0.001 0.000 0.261 89 E C 1.068 177.786 176.600 0.196 0.000 0.987 89 E CA 0.479 56.991 56.400 0.186 0.000 0.926 89 E CB 1.318 31.096 29.700 0.131 0.000 0.934 89 E HN 0.485 nan 8.360 nan 0.000 0.452 90 A N 5.971 128.867 122.820 0.127 0.000 1.859 90 A HA -0.285 4.034 4.320 -0.001 0.000 0.217 90 A C 1.720 179.378 177.584 0.124 0.000 1.198 90 A CA 1.934 54.030 52.037 0.099 0.000 0.629 90 A CB -0.477 18.555 19.000 0.053 0.000 0.830 90 A HN 0.770 nan 8.150 nan 0.000 0.446 91 N N -0.381 118.389 118.700 0.117 0.000 2.149 91 N HA -0.162 4.577 4.740 -0.001 0.000 0.188 91 N C 1.691 177.318 175.510 0.196 0.000 1.019 91 N CA 1.613 54.738 53.050 0.125 0.000 0.857 91 N CB -0.349 38.193 38.487 0.091 0.000 0.997 91 N HN 0.702 nan 8.380 nan 0.000 0.426 92 K N 0.866 121.410 120.400 0.240 0.000 2.057 92 K HA 0.037 4.357 4.320 -0.001 0.000 0.206 92 K C 1.908 178.824 176.600 0.528 0.000 1.050 92 K CA 1.036 57.547 56.287 0.375 0.000 0.935 92 K CB -0.009 32.691 32.500 0.333 0.000 0.715 92 K HN 0.067 nan 8.250 nan 0.000 0.439 93 A N 1.094 124.161 122.820 0.412 0.000 1.930 93 A HA -0.054 4.265 4.320 -0.001 0.000 0.217 93 A C 2.291 180.036 177.584 0.268 0.000 1.175 93 A CA 1.657 53.880 52.037 0.309 0.000 0.627 93 A CB -0.657 18.417 19.000 0.123 0.000 0.815 93 A HN 0.464 nan 8.150 nan 0.000 0.443 94 A N -0.597 122.350 122.820 0.211 0.000 1.883 94 A HA -0.257 4.063 4.320 -0.001 0.000 0.217 94 A C 2.222 179.930 177.584 0.206 0.000 1.186 94 A CA 1.908 54.039 52.037 0.157 0.000 0.624 94 A CB -0.664 18.403 19.000 0.112 0.000 0.822 94 A HN 0.656 nan 8.150 nan 0.000 0.444 95 Q N -1.466 118.515 119.800 0.302 0.000 2.084 95 Q HA -0.207 4.133 4.340 -0.001 0.000 0.202 95 Q C 2.051 178.298 176.000 0.412 0.000 0.978 95 Q CA 1.617 57.634 55.803 0.356 0.000 0.844 95 Q CB -0.314 28.678 28.738 0.424 0.000 0.898 95 Q HN 0.853 nan 8.270 nan 0.000 0.426 96 W N 0.791 122.237 121.300 0.244 0.000 2.318 96 W HA -0.278 4.381 4.660 -0.002 0.000 0.313 96 W C 1.935 178.412 176.519 -0.070 0.000 1.221 96 W CA 2.018 59.296 57.345 -0.112 0.000 1.266 96 W CB -0.403 28.982 29.460 -0.125 0.000 1.150 96 W HN 0.338 nan 8.180 nan 0.000 0.496 97 A N 0.417 123.294 122.820 0.095 0.000 1.865 97 A HA -0.306 4.013 4.320 -0.001 0.000 0.217 97 A C 1.924 179.465 177.584 -0.072 0.000 1.191 97 A CA 2.181 54.206 52.037 -0.020 0.000 0.623 97 A CB -1.318 17.702 19.000 0.034 0.000 0.826 97 A HN 0.520 nan 8.150 nan 0.000 0.444 98 E N -0.625 119.566 120.200 -0.014 0.000 2.049 98 E HA -0.306 4.043 4.350 -0.001 0.000 0.198 98 E C 2.252 178.813 176.600 -0.064 0.000 1.007 98 E CA 1.718 58.107 56.400 -0.019 0.000 0.809 98 E CB -0.128 29.587 29.700 0.025 0.000 0.749 98 E HN 0.458 nan 8.360 nan 0.000 0.450 99 R N -0.224 120.216 120.500 -0.101 0.000 2.083 99 R HA -0.152 4.188 4.340 -0.001 0.000 0.237 99 R C 2.293 178.480 176.300 -0.189 0.000 1.137 99 R CA 2.017 58.004 56.100 -0.190 0.000 0.951 99 R CB -0.253 29.939 30.300 -0.179 0.000 0.851 99 R HN 0.262 nan 8.270 nan 0.000 0.434 100 M N 0.729 120.169 119.600 -0.267 0.000 2.117 100 M HA -0.114 4.366 4.480 -0.001 0.000 0.262 100 M C 1.587 177.958 176.300 0.118 0.000 1.065 100 M CA 1.547 56.774 55.300 -0.121 0.000 1.114 100 M CB -1.230 31.146 32.600 -0.374 0.000 1.361 100 M HN 0.168 nan 8.290 nan 0.000 0.408 101 N N 0.733 119.459 118.700 0.043 0.000 2.244 101 N HA -0.124 4.616 4.740 -0.001 0.000 0.183 101 N C 1.239 176.887 175.510 0.230 0.000 1.016 101 N CA 1.065 54.201 53.050 0.145 0.000 0.866 101 N CB -0.358 38.088 38.487 -0.067 0.000 0.980 101 N HN 0.332 nan 8.380 nan 0.000 0.430 102 D N 0.222 120.664 120.400 0.070 0.000 2.117 102 D HA -0.054 4.586 4.640 -0.001 0.000 0.198 102 D C 1.806 178.122 176.300 0.026 0.000 0.982 102 D CA 0.616 54.617 54.000 0.002 0.000 0.828 102 D CB -0.479 40.243 40.800 -0.130 0.000 0.967 102 D HN 0.248 nan 8.370 nan 0.000 0.464 103 F N 1.261 121.238 119.950 0.046 0.000 2.161 103 F HA -0.197 4.330 4.527 -0.001 0.000 0.300 103 F C 2.463 178.298 175.800 0.059 0.000 1.089 103 F CA 0.884 58.936 58.000 0.086 0.000 1.282 103 F CB 0.029 39.093 39.000 0.106 0.000 1.010 103 F HN -0.058 nan 8.300 nan 0.000 0.485 104 A N 0.018 122.941 122.820 0.172 0.000 1.898 104 A HA -0.114 4.205 4.320 -0.001 0.000 0.216 104 A C 2.123 179.596 177.584 -0.184 0.000 1.181 104 A CA 1.149 53.005 52.037 -0.303 0.000 0.620 104 A CB -0.921 17.963 19.000 -0.193 0.000 0.819 104 A HN 0.374 nan 8.150 nan 0.000 0.442 105 L N -0.839 120.336 121.223 -0.081 0.000 2.046 105 L HA -0.181 4.158 4.340 -0.001 0.000 0.208 105 L C 2.693 179.557 176.870 -0.010 0.000 1.077 105 L CA 1.664 56.443 54.840 -0.103 0.000 0.747 105 L CB -0.404 41.625 42.059 -0.050 0.000 0.896 105 L HN 0.504 nan 8.230 nan 0.000 0.432 106 E N -0.254 119.982 120.200 0.061 0.000 2.110 106 E HA -0.264 4.086 4.350 -0.001 0.000 0.193 106 E C 2.124 178.805 176.600 0.134 0.000 0.988 106 E CA 1.273 57.732 56.400 0.099 0.000 0.804 106 E CB -0.035 29.753 29.700 0.148 0.000 0.745 106 E HN 0.396 nan 8.360 nan 0.000 0.458 107 F N 0.952 120.897 119.950 -0.009 0.000 2.102 107 F HA -0.157 4.370 4.527 -0.001 0.000 0.298 107 F C 2.158 177.929 175.800 -0.048 0.000 1.105 107 F CA 1.706 59.683 58.000 -0.037 0.000 1.239 107 F CB -0.269 38.624 39.000 -0.178 0.000 0.991 107 F HN 0.010 nan 8.300 nan 0.000 0.474 108 A N 0.166 123.042 122.820 0.093 0.000 2.014 108 A HA 0.040 4.359 4.320 -0.001 0.000 0.218 108 A C 2.289 179.847 177.584 -0.043 0.000 1.163 108 A CA 1.203 53.238 52.037 -0.003 0.000 0.652 108 A CB -1.418 17.551 19.000 -0.052 0.000 0.808 108 A HN 0.486 nan 8.150 nan 0.000 0.449 109 A N -0.596 122.207 122.820 -0.028 0.000 2.024 109 A HA -0.203 4.116 4.320 -0.001 0.000 0.220 109 A C 1.855 179.414 177.584 -0.041 0.000 1.164 109 A CA 2.028 54.045 52.037 -0.032 0.000 0.643 109 A CB -0.891 18.102 19.000 -0.012 0.000 0.806 109 A HN 0.810 nan 8.150 nan 0.000 0.451 110 H N -0.376 118.617 119.070 -0.129 0.000 2.394 110 H HA -0.114 4.442 4.556 -0.001 0.000 0.297 110 H C 0.464 175.718 175.328 -0.124 0.000 1.113 110 H CA 1.886 57.848 56.048 -0.144 0.000 1.277 110 H CB 0.043 29.663 29.762 -0.237 0.000 1.370 110 H HN 0.455 nan 8.280 nan 0.000 0.506 111 N N -1.469 117.130 118.700 -0.168 0.000 3.111 111 N HA 0.044 4.784 4.740 -0.001 0.000 0.200 111 N C -2.545 172.908 175.510 -0.095 0.000 1.464 111 N CA -0.952 51.989 53.050 -0.181 0.000 0.758 111 N CB 0.744 39.117 38.487 -0.190 0.000 1.548 111 N HN 0.132 nan 8.380 nan 0.000 0.595 112 P HA -0.073 nan 4.420 nan 0.000 0.231 112 P C 0.804 178.069 177.300 -0.059 0.000 1.158 112 P CA 0.917 63.977 63.100 -0.067 0.000 0.763 112 P CB 0.741 32.403 31.700 -0.063 0.000 0.805 113 Q N 0.030 119.793 119.800 -0.062 0.000 2.096 113 Q HA 0.004 4.343 4.340 -0.001 0.000 0.197 113 Q C 2.228 178.200 176.000 -0.048 0.000 0.964 113 Q CA 1.491 57.264 55.803 -0.051 0.000 0.838 113 Q CB -0.291 28.416 28.738 -0.052 0.000 0.906 113 Q HN 0.287 nan 8.270 nan 0.000 0.444 114 R N -0.930 119.539 120.500 -0.051 0.000 2.308 114 R HA 0.322 4.661 4.340 -0.001 0.000 0.202 114 R C -0.168 176.107 176.300 -0.042 0.000 0.898 114 R CA 0.135 56.207 56.100 -0.046 0.000 1.046 114 R CB 0.849 31.122 30.300 -0.046 0.000 1.026 114 R HN 0.146 nan 8.270 nan 0.000 0.512 115 I N 2.006 122.553 120.570 -0.038 0.000 2.439 115 I HA 0.251 4.421 4.170 -0.001 0.000 0.285 115 I C -0.637 175.452 176.117 -0.047 0.000 1.021 115 I CA -0.799 60.490 61.300 -0.019 0.000 1.091 115 I CB 1.622 39.636 38.000 0.023 0.000 1.242 115 I HN -0.259 nan 8.210 nan 0.000 0.439 116 K N 6.056 126.411 120.400 -0.074 0.000 2.259 116 K HA 0.795 5.114 4.320 -0.001 0.000 0.249 116 K C -0.772 175.748 176.600 -0.133 0.000 0.942 116 K CA -0.767 55.452 56.287 -0.114 0.000 0.816 116 K CB 2.957 35.370 32.500 -0.144 0.000 1.155 116 K HN 0.414 nan 8.250 nan 0.000 0.428 117 V N -0.771 119.047 119.914 -0.159 0.000 2.914 117 V HA 0.646 4.766 4.120 -0.001 0.000 0.314 117 V C -0.459 175.665 176.094 0.050 0.000 1.084 117 V CA -1.154 61.061 62.300 -0.142 0.000 0.963 117 V CB 1.763 33.391 31.823 -0.326 0.000 1.025 117 V HN 0.590 nan 8.190 nan 0.000 0.432 118 L N 2.271 123.612 121.223 0.197 0.000 2.319 118 L HA 0.969 5.308 4.340 -0.001 0.000 0.267 118 L C 0.427 177.526 176.870 0.382 0.000 1.011 118 L CA -0.762 54.267 54.840 0.314 0.000 0.818 118 L CB 1.924 44.104 42.059 0.203 0.000 1.316 118 L HN 0.975 nan 8.230 nan 0.000 0.432 119 A N 1.051 123.943 122.820 0.119 0.000 2.281 119 A HA 0.657 4.977 4.320 -0.001 0.000 0.329 119 A C -0.713 176.871 177.584 0.001 0.000 1.122 119 A CA -0.517 51.410 52.037 -0.185 0.000 0.850 119 A CB 1.255 19.938 19.000 -0.529 0.000 1.207 119 A HN 0.753 nan 8.150 nan 0.000 0.495 120 Q N -0.370 119.426 119.800 -0.007 0.000 2.241 120 Q HA 0.754 5.093 4.340 -0.001 0.000 0.262 120 Q C -0.759 175.213 176.000 -0.047 0.000 1.014 120 Q CA -0.849 54.955 55.803 0.001 0.000 0.885 120 Q CB 1.633 30.415 28.738 0.074 0.000 1.311 120 Q HN 1.012 nan 8.270 nan 0.000 0.461 121 V N -3.598 116.264 119.914 -0.088 0.000 2.971 121 V HA 0.545 4.664 4.120 -0.001 0.000 0.309 121 V C -2.728 173.293 176.094 -0.122 0.000 1.130 121 V CA -2.530 59.698 62.300 -0.121 0.000 0.964 121 V CB 1.758 33.449 31.823 -0.221 0.000 1.029 121 V HN 0.815 nan 8.190 nan 0.000 0.427 122 P HA 0.156 nan 4.420 nan 0.000 0.249 122 P C 0.548 177.692 177.300 -0.260 0.000 1.737 122 P CA 0.008 63.050 63.100 -0.096 0.000 1.128 122 P CB 0.818 32.499 31.700 -0.031 0.000 1.942 123 L N 2.975 123.906 121.223 -0.487 0.000 2.362 123 L HA -0.175 4.164 4.340 -0.001 0.000 0.219 123 L C 2.444 178.988 176.870 -0.544 0.000 1.134 123 L CA 1.619 56.019 54.840 -0.735 0.000 0.807 123 L CB -0.796 40.544 42.059 -1.198 0.000 0.927 123 L HN 0.210 nan 8.230 nan 0.000 0.447 124 Q N -0.812 118.744 119.800 -0.406 0.000 2.291 124 Q HA -0.167 4.173 4.340 -0.001 0.000 0.206 124 Q C 0.047 175.960 176.000 -0.145 0.000 0.976 124 Q CA 1.247 56.916 55.803 -0.223 0.000 0.875 124 Q CB -0.548 28.130 28.738 -0.100 0.000 0.927 124 Q HN 0.552 nan 8.270 nan 0.000 0.450 125 D N 0.361 120.675 120.400 -0.144 0.000 2.471 125 D HA 0.122 4.762 4.640 -0.001 0.000 0.245 125 D C 0.501 176.738 176.300 -0.104 0.000 1.116 125 D CA -0.393 53.554 54.000 -0.089 0.000 0.853 125 D CB 1.554 42.327 40.800 -0.045 0.000 1.123 125 D HN 0.079 nan 8.370 nan 0.000 0.540 126 L N 4.782 125.955 121.223 -0.083 0.000 2.012 126 L HA -0.110 4.229 4.340 -0.001 0.000 0.210 126 L C 1.648 178.487 176.870 -0.052 0.000 1.073 126 L CA 2.206 57.008 54.840 -0.063 0.000 0.748 126 L CB -0.499 41.542 42.059 -0.029 0.000 0.891 126 L HN 0.512 nan 8.230 nan 0.000 0.431 127 D N -0.839 119.533 120.400 -0.047 0.000 2.103 127 D HA -0.253 4.386 4.640 -0.001 0.000 0.190 127 D C 2.175 178.446 176.300 -0.047 0.000 0.997 127 D CA 2.223 56.194 54.000 -0.047 0.000 0.833 127 D CB -0.206 40.577 40.800 -0.028 0.000 0.961 127 D HN 0.416 nan 8.370 nan 0.000 0.447 128 L N 0.080 121.282 121.223 -0.035 0.000 2.079 128 L HA -0.147 4.193 4.340 -0.001 0.000 0.210 128 L C 2.581 179.430 176.870 -0.036 0.000 1.081 128 L CA 1.120 55.945 54.840 -0.024 0.000 0.752 128 L CB -0.544 41.511 42.059 -0.007 0.000 0.896 128 L HN 0.115 nan 8.230 nan 0.000 0.433 129 A N -0.778 121.998 122.820 -0.073 0.000 1.877 129 A HA -0.217 4.103 4.320 -0.001 0.000 0.216 129 A C 2.434 180.071 177.584 0.089 0.000 1.186 129 A CA 1.804 53.783 52.037 -0.097 0.000 0.620 129 A CB -1.182 17.623 19.000 -0.326 0.000 0.822 129 A HN 0.517 nan 8.150 nan 0.000 0.443 130 C N -0.577 118.742 119.300 0.032 0.000 2.413 130 C HA -0.104 4.355 4.460 -0.001 0.000 0.276 130 C C 2.744 177.682 174.990 -0.088 0.000 1.236 130 C CA 1.436 60.328 59.018 -0.210 0.000 1.735 130 C CB -1.100 26.237 27.740 -0.672 0.000 2.031 130 C HN 0.626 nan 8.230 nan 0.000 0.474 131 K N 0.473 120.844 120.400 -0.049 0.000 2.097 131 K HA -0.176 4.143 4.320 -0.001 0.000 0.206 131 K C 1.990 178.612 176.600 0.038 0.000 1.049 131 K CA 1.573 57.864 56.287 0.006 0.000 0.933 131 K CB -0.199 32.301 32.500 0.001 0.000 0.717 131 K HN 0.398 nan 8.250 nan 0.000 0.442 132 E N 1.102 121.323 120.200 0.035 0.000 2.107 132 E HA -0.082 4.267 4.350 -0.001 0.000 0.191 132 E C 1.726 178.354 176.600 0.047 0.000 0.982 132 E CA 1.223 57.641 56.400 0.029 0.000 0.809 132 E CB -0.108 29.597 29.700 0.008 0.000 0.756 132 E HN 0.258 nan 8.360 nan 0.000 0.459 133 A N 0.026 122.919 122.820 0.120 0.000 1.883 133 A HA -0.196 4.123 4.320 -0.001 0.000 0.217 133 A C 2.464 180.116 177.584 0.114 0.000 1.186 133 A CA 2.077 54.211 52.037 0.162 0.000 0.624 133 A CB -0.894 18.293 19.000 0.312 0.000 0.822 133 A HN 0.307 nan 8.150 nan 0.000 0.444 134 S N -1.042 114.746 115.700 0.148 0.000 2.355 134 S HA -0.142 4.328 4.470 -0.001 0.000 0.222 134 S C 2.126 176.766 174.600 0.066 0.000 1.031 134 S CA 1.184 59.450 58.200 0.111 0.000 0.993 134 S CB -0.370 62.919 63.200 0.148 0.000 0.859 134 S HN 0.616 nan 8.310 nan 0.000 0.453 135 R N 1.211 121.744 120.500 0.055 0.000 2.083 135 R HA -0.128 4.211 4.340 -0.001 0.000 0.237 135 R C 2.359 178.685 176.300 0.044 0.000 1.137 135 R CA 1.561 57.686 56.100 0.041 0.000 0.951 135 R CB -0.540 29.779 30.300 0.031 0.000 0.851 135 R HN 0.397 nan 8.270 nan 0.000 0.434 136 A N 0.075 122.908 122.820 0.022 0.000 1.930 136 A HA -0.075 4.244 4.320 -0.001 0.000 0.217 136 A C 2.271 179.930 177.584 0.126 0.000 1.175 136 A CA 1.379 53.429 52.037 0.021 0.000 0.627 136 A CB -0.363 18.485 19.000 -0.255 0.000 0.815 136 A HN 0.242 nan 8.150 nan 0.000 0.443 137 V N -0.292 119.673 119.914 0.086 0.000 2.379 137 V HA -0.174 3.945 4.120 -0.001 0.000 0.245 137 V C 2.946 179.088 176.094 0.081 0.000 1.044 137 V CA 1.736 64.098 62.300 0.104 0.000 1.036 137 V CB -0.983 30.877 31.823 0.061 0.000 0.664 137 V HN 0.579 nan 8.190 nan 0.000 0.453 138 A N -0.408 122.447 122.820 0.058 0.000 2.172 138 A HA 0.113 4.432 4.320 -0.001 0.000 0.216 138 A C 2.078 179.690 177.584 0.048 0.000 1.154 138 A CA 1.525 53.587 52.037 0.042 0.000 0.701 138 A CB -0.384 18.635 19.000 0.032 0.000 0.789 138 A HN 0.570 nan 8.150 nan 0.000 0.465 139 A N -2.497 120.367 122.820 0.074 0.000 2.348 139 A HA 0.490 4.809 4.320 -0.001 0.000 0.224 139 A C 1.514 179.134 177.584 0.061 0.000 1.227 139 A CA 1.172 53.252 52.037 0.071 0.000 0.885 139 A CB -0.147 18.905 19.000 0.087 0.000 0.933 139 A HN 1.507 nan 8.150 nan 0.000 0.506 140 G N -1.735 107.105 108.800 0.068 0.000 2.901 140 G HA2 -0.102 3.857 3.960 -0.001 0.000 0.194 140 G HA3 -0.102 3.857 3.960 -0.001 0.000 0.194 140 G C 0.115 175.013 174.900 -0.004 0.000 1.020 140 G CA -0.159 44.945 45.100 0.008 0.000 0.787 140 G HN 0.500 nan 8.290 nan 0.000 0.477 141 H N 0.941 120.018 119.070 0.012 0.000 3.001 141 H HA 0.236 4.791 4.556 -0.001 0.000 0.334 141 H C 1.287 176.638 175.328 0.038 0.000 1.034 141 H CA 0.805 56.865 56.048 0.021 0.000 1.420 141 H CB 1.179 30.961 29.762 0.034 0.000 1.405 141 H HN 0.138 nan 8.280 nan 0.000 0.593 142 L N 2.339 123.654 121.223 0.153 0.000 2.591 142 L HA 0.170 4.510 4.340 -0.001 0.000 0.228 142 L C 1.271 178.287 176.870 0.243 0.000 1.133 142 L CA 0.365 55.306 54.840 0.169 0.000 0.880 142 L CB 0.161 42.311 42.059 0.151 0.000 1.033 142 L HN 0.777 nan 8.230 nan 0.000 0.450 143 G N -0.312 108.630 108.800 0.237 0.000 2.344 143 G HA2 0.261 4.220 3.960 -0.001 0.000 0.282 143 G HA3 0.261 4.220 3.960 -0.001 0.000 0.282 143 G C -1.809 173.208 174.900 0.196 0.000 1.281 143 G CA -0.702 44.523 45.100 0.208 0.000 0.877 143 G HN -0.205 nan 8.290 nan 0.000 0.494 144 I N 0.811 121.494 120.570 0.188 0.000 2.509 144 I HA 0.485 4.654 4.170 -0.001 0.000 0.293 144 I C -0.178 176.049 176.117 0.184 0.000 1.020 144 I CA -0.651 60.756 61.300 0.177 0.000 1.088 144 I CB 1.616 39.757 38.000 0.235 0.000 1.267 144 I HN 0.666 nan 8.210 nan 0.000 0.430 145 Q N 6.724 126.618 119.800 0.157 0.000 2.325 145 Q HA 0.663 5.002 4.340 -0.001 0.000 0.262 145 Q C -1.254 174.755 176.000 0.016 0.000 0.968 145 Q CA -0.549 55.344 55.803 0.150 0.000 0.877 145 Q CB 1.992 30.863 28.738 0.221 0.000 1.253 145 Q HN 0.724 nan 8.270 nan 0.000 0.448 146 I N 0.230 120.782 120.570 -0.030 0.000 2.693 146 I HA 0.759 4.928 4.170 -0.001 0.000 0.303 146 I C 0.436 176.422 176.117 -0.219 0.000 1.025 146 I CA -1.181 59.965 61.300 -0.257 0.000 1.086 146 I CB 1.667 39.585 38.000 -0.137 0.000 1.268 146 I HN 0.595 nan 8.210 nan 0.000 0.440 147 G N 2.421 110.890 108.800 -0.552 0.000 2.667 147 G HA2 0.029 3.989 3.960 -0.001 0.000 0.250 147 G HA3 0.029 3.989 3.960 -0.001 0.000 0.250 147 G C 0.648 175.700 174.900 0.253 0.000 1.212 147 G CA -0.355 44.693 45.100 -0.087 0.000 0.874 147 G HN 0.951 nan 8.290 nan 0.000 0.561 148 N N -0.771 118.252 118.700 0.539 0.000 2.412 148 N HA 0.003 4.742 4.740 -0.001 0.000 0.184 148 N C 0.393 176.183 175.510 0.467 0.000 1.101 148 N CA 0.709 54.036 53.050 0.462 0.000 0.881 148 N CB -0.001 38.778 38.487 0.486 0.000 0.969 148 N HN 0.859 nan 8.380 nan 0.000 0.459 149 H N -2.927 116.386 119.070 0.406 0.000 3.014 149 H HA 0.618 5.174 4.556 -0.001 0.000 0.337 149 H C -1.854 173.705 175.328 0.385 0.000 1.320 149 H CA -1.041 55.175 56.048 0.280 0.000 1.128 149 H CB 0.678 30.559 29.762 0.198 0.000 1.862 149 H HN -0.116 nan 8.280 nan 0.000 0.536 150 L N 2.767 124.071 121.223 0.136 0.000 2.401 150 L HA 0.517 4.857 4.340 -0.001 0.000 0.263 150 L C 1.144 178.098 176.870 0.140 0.000 1.004 150 L CA 1.033 55.925 54.840 0.087 0.000 0.881 150 L CB 0.934 42.969 42.059 -0.041 0.000 1.219 150 L HN 1.238 nan 8.230 nan 0.000 0.441 151 G N 2.718 111.616 108.800 0.163 0.000 2.651 151 G HA2 -0.440 3.520 3.960 -0.001 0.000 0.315 151 G HA3 -0.440 3.520 3.960 -0.001 0.000 0.315 151 G C 0.681 175.727 174.900 0.244 0.000 1.258 151 G CA 0.678 45.892 45.100 0.190 0.000 1.002 151 G HN 0.784 nan 8.290 nan 0.000 0.551 152 D N 1.485 121.962 120.400 0.128 0.000 2.363 152 D HA 0.085 4.725 4.640 -0.001 0.000 0.226 152 D C 0.786 177.139 176.300 0.089 0.000 1.020 152 D CA 0.773 54.828 54.000 0.091 0.000 0.892 152 D CB -0.142 40.688 40.800 0.049 0.000 0.900 152 D HN 0.606 nan 8.370 nan 0.000 0.531 153 K N 1.027 121.494 120.400 0.112 0.000 2.248 153 K HA 0.214 4.533 4.320 -0.001 0.000 0.281 153 K C -0.259 176.418 176.600 0.127 0.000 1.054 153 K CA -0.542 55.796 56.287 0.086 0.000 0.903 153 K CB 1.372 33.899 32.500 0.046 0.000 1.077 153 K HN 0.065 nan 8.250 nan 0.000 0.474 154 D N 1.898 122.352 120.400 0.089 0.000 2.487 154 D HA 0.159 4.799 4.640 -0.001 0.000 0.262 154 D C 1.464 177.804 176.300 0.066 0.000 1.130 154 D CA -0.503 53.557 54.000 0.100 0.000 1.038 154 D CB 1.252 42.087 40.800 0.060 0.000 1.142 154 D HN 0.277 nan 8.370 nan 0.000 0.575 155 L N 0.556 121.818 121.223 0.065 0.000 2.353 155 L HA -0.164 4.176 4.340 -0.001 0.000 0.220 155 L C 1.695 178.555 176.870 -0.017 0.000 1.133 155 L CA 0.923 55.785 54.840 0.036 0.000 0.798 155 L CB -0.377 41.716 42.059 0.057 0.000 0.922 155 L HN 0.425 nan 8.230 nan 0.000 0.445 156 D N -0.816 119.568 120.400 -0.027 0.000 2.378 156 D HA -0.148 4.492 4.640 -0.001 0.000 0.227 156 D C 0.492 176.779 176.300 -0.022 0.000 1.012 156 D CA 0.075 54.048 54.000 -0.044 0.000 0.905 156 D CB -0.480 40.297 40.800 -0.038 0.000 0.895 156 D HN 0.294 nan 8.370 nan 0.000 0.532 157 D N -0.341 120.055 120.400 -0.007 0.000 2.390 157 D HA 0.324 4.963 4.640 -0.001 0.000 0.249 157 D C 1.361 177.658 176.300 -0.005 0.000 1.144 157 D CA 0.131 54.130 54.000 -0.002 0.000 0.880 157 D CB 1.365 42.167 40.800 0.003 0.000 1.182 157 D HN 0.027 nan 8.370 nan 0.000 0.451 158 A N 2.767 125.585 122.820 -0.003 0.000 1.948 158 A HA -0.238 4.082 4.320 -0.001 0.000 0.220 158 A C 2.158 179.745 177.584 0.005 0.000 1.177 158 A CA 2.344 54.381 52.037 0.000 0.000 0.636 158 A CB -1.145 17.856 19.000 0.002 0.000 0.815 158 A HN 0.762 nan 8.150 nan 0.000 0.449 159 T N -1.569 112.983 114.554 -0.003 0.000 2.777 159 T HA -0.029 4.321 4.350 -0.001 0.000 0.266 159 T C 1.806 176.515 174.700 0.014 0.000 1.040 159 T CA 1.365 63.462 62.100 -0.006 0.000 1.141 159 T CB -0.552 68.294 68.868 -0.037 0.000 0.868 159 T HN 0.346 nan 8.240 nan 0.000 0.444 160 L N 0.774 121.999 121.223 0.003 0.000 2.109 160 L HA 0.085 4.425 4.340 -0.001 0.000 0.207 160 L C 3.028 179.945 176.870 0.079 0.000 1.086 160 L CA 1.636 56.497 54.840 0.035 0.000 0.760 160 L CB -0.751 41.309 42.059 0.001 0.000 0.910 160 L HN 0.381 nan 8.230 nan 0.000 0.437 161 E N 1.129 121.347 120.200 0.030 0.000 2.085 161 E HA -0.265 4.084 4.350 -0.001 0.000 0.194 161 E C 2.227 178.849 176.600 0.036 0.000 0.994 161 E CA 1.440 57.847 56.400 0.011 0.000 0.801 161 E CB 0.012 29.701 29.700 -0.019 0.000 0.743 161 E HN 0.442 nan 8.360 nan 0.000 0.453 162 A N 0.380 123.231 122.820 0.050 0.000 1.972 162 A HA -0.166 4.153 4.320 -0.001 0.000 0.219 162 A C 1.952 179.596 177.584 0.100 0.000 1.169 162 A CA 1.224 53.297 52.037 0.060 0.000 0.635 162 A CB -0.791 18.238 19.000 0.048 0.000 0.810 162 A HN 0.517 nan 8.150 nan 0.000 0.446 163 F N 0.808 120.748 119.950 -0.016 0.000 2.113 163 F HA -0.098 4.429 4.527 -0.001 0.000 0.297 163 F C 1.922 177.745 175.800 0.037 0.000 1.103 163 F CA 1.580 59.578 58.000 -0.004 0.000 1.248 163 F CB -0.283 38.683 39.000 -0.058 0.000 0.999 163 F HN 0.134 nan 8.300 nan 0.000 0.475 164 L N -0.535 120.669 121.223 -0.032 0.000 2.079 164 L HA -0.249 4.090 4.340 -0.001 0.000 0.210 164 L C 2.282 179.075 176.870 -0.128 0.000 1.081 164 L CA 1.856 56.625 54.840 -0.117 0.000 0.752 164 L CB -1.584 40.474 42.059 -0.003 0.000 0.896 164 L HN 0.178 nan 8.230 nan 0.000 0.433 165 T N -1.963 112.558 114.554 -0.056 0.000 2.777 165 T HA -0.234 4.116 4.350 -0.001 0.000 0.266 165 T C 1.810 176.474 174.700 -0.059 0.000 1.040 165 T CA 1.620 63.699 62.100 -0.034 0.000 1.141 165 T CB -0.338 68.533 68.868 0.005 0.000 0.868 165 T HN 0.443 nan 8.240 nan 0.000 0.444 166 H N 0.470 119.444 119.070 -0.160 0.000 2.289 166 H HA -0.117 4.438 4.556 -0.001 0.000 0.296 166 H C 2.293 177.480 175.328 -0.236 0.000 1.091 166 H CA 1.925 57.866 56.048 -0.178 0.000 1.274 166 H CB -0.838 28.813 29.762 -0.185 0.000 1.364 166 H HN 0.342 nan 8.280 nan 0.000 0.490 167 C N 0.662 119.724 119.300 -0.397 0.000 2.413 167 C HA -0.081 4.379 4.460 -0.001 0.000 0.276 167 C C 3.153 177.967 174.990 -0.293 0.000 1.248 167 C CA 1.047 59.817 59.018 -0.414 0.000 1.742 167 C CB -1.488 25.986 27.740 -0.444 0.000 2.017 167 C HN 0.810 nan 8.230 nan 0.000 0.481 168 A N 1.312 124.007 122.820 -0.209 0.000 1.908 168 A HA -0.198 4.122 4.320 -0.001 0.000 0.218 168 A C 1.854 179.346 177.584 -0.152 0.000 1.181 168 A CA 2.048 54.000 52.037 -0.142 0.000 0.627 168 A CB -0.605 18.354 19.000 -0.069 0.000 0.818 168 A HN 0.648 nan 8.150 nan 0.000 0.445 169 N N 0.126 118.720 118.700 -0.176 0.000 2.309 169 N HA -0.080 4.660 4.740 -0.001 0.000 0.182 169 N C 1.007 176.398 175.510 -0.198 0.000 1.018 169 N CA 1.161 54.113 53.050 -0.163 0.000 0.876 169 N CB -0.104 38.298 38.487 -0.141 0.000 0.972 169 N HN 0.575 nan 8.380 nan 0.000 0.434 170 E N 0.201 120.228 120.200 -0.289 0.000 2.501 170 E HA 0.047 4.396 4.350 -0.001 0.000 0.201 170 E C -0.685 175.799 176.600 -0.193 0.000 1.016 170 E CA -0.136 56.108 56.400 -0.261 0.000 0.920 170 E CB 0.409 29.872 29.700 -0.396 0.000 1.023 170 E HN 0.157 nan 8.360 nan 0.000 0.474 171 D N 1.002 121.291 120.400 -0.185 0.000 2.746 171 D HA -0.183 4.457 4.640 -0.001 0.000 0.241 171 D C -0.621 175.576 176.300 -0.172 0.000 1.140 171 D CA 0.698 54.598 54.000 -0.167 0.000 0.707 171 D CB -1.061 39.661 40.800 -0.130 0.000 1.034 171 D HN 0.286 nan 8.370 nan 0.000 0.423 172 I N 1.033 121.486 120.570 -0.195 0.000 2.382 172 I HA 0.259 4.428 4.170 -0.001 0.000 0.285 172 I C -2.196 173.810 176.117 -0.185 0.000 1.007 172 I CA -1.804 59.401 61.300 -0.158 0.000 1.142 172 I CB 1.848 39.762 38.000 -0.143 0.000 1.289 172 I HN -0.236 nan 8.210 nan 0.000 0.453 173 P HA 0.283 nan 4.420 nan 0.000 0.271 173 P C -0.709 176.574 177.300 -0.028 0.000 1.218 173 P CA -0.005 62.919 63.100 -0.292 0.000 0.780 173 P CB 0.757 32.139 31.700 -0.530 0.000 0.901 174 I N 2.322 122.909 120.570 0.028 0.000 2.509 174 I HA 0.352 4.522 4.170 -0.001 0.000 0.293 174 I C -0.532 175.674 176.117 0.148 0.000 1.020 174 I CA -1.046 60.316 61.300 0.104 0.000 1.088 174 I CB 1.931 39.958 38.000 0.044 0.000 1.267 174 I HN 0.150 nan 8.210 nan 0.000 0.430 175 L N 7.601 128.913 121.223 0.148 0.000 2.313 175 L HA 0.529 4.868 4.340 -0.001 0.000 0.283 175 L C -0.762 176.139 176.870 0.052 0.000 1.013 175 L CA -0.398 54.495 54.840 0.087 0.000 0.816 175 L CB 1.708 43.853 42.059 0.144 0.000 1.236 175 L HN 0.291 nan 8.230 nan 0.000 0.419 176 V N 5.274 125.155 119.914 -0.055 0.000 2.350 176 V HA 0.361 4.481 4.120 -0.001 0.000 0.276 176 V C -0.344 175.892 176.094 0.237 0.000 1.028 176 V CA -0.578 61.739 62.300 0.029 0.000 0.860 176 V CB 0.810 32.525 31.823 -0.179 0.000 0.990 176 V HN 0.696 nan 8.190 nan 0.000 0.453 177 H N 7.198 126.429 119.070 0.268 0.000 2.481 177 H HA 0.434 4.990 4.556 -0.001 0.000 0.333 177 H C -2.598 173.037 175.328 0.512 0.000 1.066 177 H CA -2.203 54.098 56.048 0.422 0.000 1.209 177 H CB 2.750 32.792 29.762 0.466 0.000 1.445 177 H HN 0.371 nan 8.280 nan 0.000 0.488 178 P HA 0.001 nan 4.420 nan 0.000 0.268 178 P C -0.314 177.483 177.300 0.828 0.000 1.205 178 P CA 0.179 63.610 63.100 0.553 0.000 0.771 178 P CB 0.812 32.682 31.700 0.284 0.000 0.858 179 W N 2.224 123.797 121.300 0.454 0.000 2.989 179 W HA 0.271 4.930 4.660 -0.001 0.000 0.344 179 W C -1.374 175.363 176.519 0.363 0.000 1.233 179 W CA -0.659 56.918 57.345 0.386 0.000 1.187 179 W CB -0.121 29.567 29.460 0.380 0.000 1.443 179 W HN 0.462 nan 8.180 nan 0.000 0.573 180 D N 1.868 122.006 120.400 -0.437 0.000 2.803 180 D HA -0.232 4.407 4.640 -0.001 0.000 0.233 180 D C -0.397 175.814 176.300 -0.149 0.000 1.182 180 D CA 1.099 54.695 54.000 -0.675 0.000 0.726 180 D CB -0.733 39.075 40.800 -1.654 0.000 0.987 180 D HN 0.400 nan 8.370 nan 0.000 0.412 181 M N 1.657 121.235 119.600 -0.037 0.000 2.248 181 M HA 0.177 4.656 4.480 -0.001 0.000 0.345 181 M C 1.157 177.434 176.300 -0.040 0.000 1.243 181 M CA 0.316 55.617 55.300 0.002 0.000 1.090 181 M CB 0.653 33.280 32.600 0.045 0.000 1.683 181 M HN 0.344 nan 8.290 nan 0.000 0.450 182 M N 1.142 120.700 119.600 -0.070 0.000 2.131 182 M HA 0.488 4.967 4.480 -0.001 0.000 0.283 182 M C 0.859 177.137 176.300 -0.036 0.000 1.225 182 M CA 0.813 56.071 55.300 -0.070 0.000 1.153 182 M CB -0.121 32.425 32.600 -0.090 0.000 1.380 182 M HN 0.828 nan 8.290 nan 0.000 0.458 183 G N -1.609 107.173 108.800 -0.030 0.000 2.367 183 G HA2 0.194 4.154 3.960 -0.001 0.000 0.181 183 G HA3 0.194 4.154 3.960 -0.001 0.000 0.181 183 G C 0.753 175.645 174.900 -0.015 0.000 1.000 183 G CA 0.154 45.244 45.100 -0.017 0.000 0.693 183 G HN 1.803 nan 8.290 nan 0.000 0.480 184 G N 0.366 109.155 108.800 -0.019 0.000 2.646 184 G HA2 -0.366 3.593 3.960 -0.001 0.000 0.324 184 G HA3 -0.366 3.593 3.960 -0.001 0.000 0.324 184 G C 0.938 175.827 174.900 -0.018 0.000 1.195 184 G CA 1.791 46.880 45.100 -0.017 0.000 0.976 184 G HN 1.303 nan 8.290 nan 0.000 0.546 185 Q N 0.602 120.392 119.800 -0.016 0.000 2.352 185 Q HA 0.303 4.643 4.340 -0.001 0.000 0.212 185 Q C 2.688 178.675 176.000 -0.021 0.000 0.888 185 Q CA 0.904 56.695 55.803 -0.020 0.000 0.934 185 Q CB 0.124 28.852 28.738 -0.018 0.000 1.093 185 Q HN 0.654 nan 8.270 nan 0.000 0.523 186 R N -0.694 119.799 120.500 -0.011 0.000 2.153 186 R HA 0.111 4.450 4.340 -0.001 0.000 0.218 186 R C 0.536 176.840 176.300 0.006 0.000 1.072 186 R CA 0.808 56.909 56.100 0.001 0.000 0.990 186 R CB 0.115 30.422 30.300 0.011 0.000 0.889 186 R HN 0.275 nan 8.270 nan 0.000 0.452 187 M N 1.364 120.962 119.600 -0.002 0.000 2.959 187 M HA 0.174 4.653 4.480 -0.001 0.000 0.337 187 M C 0.854 177.141 176.300 -0.022 0.000 1.220 187 M CA -0.206 55.102 55.300 0.013 0.000 0.893 187 M CB 1.008 33.626 32.600 0.029 0.000 1.322 187 M HN -0.023 nan 8.290 nan 0.000 0.519 188 K N 0.608 120.963 120.400 -0.075 0.000 1.984 188 K HA 0.072 4.392 4.320 -0.001 0.000 0.209 188 K C 0.397 176.874 176.600 -0.206 0.000 1.046 188 K CA 0.697 56.908 56.287 -0.126 0.000 0.934 188 K CB -0.197 32.218 32.500 -0.141 0.000 0.717 188 K HN 0.261 nan 8.250 nan 0.000 0.438 189 K N 0.404 120.577 120.400 -0.378 0.000 2.276 189 K HA -0.085 4.234 4.320 -0.001 0.000 0.259 189 K C -0.319 176.078 176.600 -0.338 0.000 1.001 189 K CA -0.044 55.807 56.287 -0.726 0.000 0.927 189 K CB 0.186 31.640 32.500 -1.743 0.000 0.969 189 K HN 0.363 nan 8.250 nan 0.000 0.490 190 W N 1.329 122.617 121.300 -0.020 0.000 4.973 190 W HA -0.281 4.378 4.660 -0.001 0.000 0.350 190 W C 0.011 176.529 176.519 -0.002 0.000 1.280 190 W CA 0.516 57.852 57.345 -0.015 0.000 0.854 190 W CB -2.511 26.942 29.460 -0.012 0.000 2.367 190 W HN 0.875 nan 8.180 nan 0.000 1.511 191 M N -2.690 116.983 119.600 0.121 0.000 2.818 191 M HA -0.331 4.148 4.480 -0.001 0.000 0.204 191 M C 1.291 177.693 176.300 0.170 0.000 0.552 191 M CA 1.285 56.657 55.300 0.121 0.000 0.687 191 M CB -2.050 30.621 32.600 0.119 0.000 2.512 191 M HN 0.119 nan 8.290 nan 0.000 0.563 192 L N -0.284 121.030 121.223 0.153 0.000 2.081 192 L HA -0.167 4.172 4.340 -0.001 0.000 0.212 192 L C -0.370 176.555 176.870 0.093 0.000 1.080 192 L CA 2.073 56.991 54.840 0.130 0.000 0.754 192 L CB -1.455 40.690 42.059 0.144 0.000 0.893 192 L HN 0.257 nan 8.230 nan 0.000 0.433 193 P HA -0.240 nan 4.420 nan 0.000 0.216 193 P C 1.363 178.742 177.300 0.132 0.000 1.150 193 P CA 1.551 64.704 63.100 0.088 0.000 0.837 193 P CB -0.199 31.553 31.700 0.086 0.000 0.786 194 W N 0.039 121.320 121.300 -0.032 0.000 2.436 194 W HA -0.028 4.632 4.660 -0.001 0.000 0.284 194 W C 1.416 177.915 176.519 -0.033 0.000 1.225 194 W CA 0.885 58.202 57.345 -0.047 0.000 1.271 194 W CB -0.186 29.230 29.460 -0.073 0.000 1.114 194 W HN -0.116 nan 8.180 nan 0.000 0.559 195 L N -0.772 120.456 121.223 0.008 0.000 2.298 195 L HA -0.077 4.262 4.340 -0.001 0.000 0.209 195 L C 1.876 178.697 176.870 -0.082 0.000 1.084 195 L CA 0.254 55.056 54.840 -0.064 0.000 0.816 195 L CB -0.586 41.491 42.059 0.030 0.000 0.967 195 L HN -0.252 nan 8.230 nan 0.000 0.460 196 V N -0.753 119.136 119.914 -0.042 0.000 2.735 196 V HA 0.152 4.271 4.120 -0.001 0.000 0.234 196 V C 2.424 178.487 176.094 -0.052 0.000 1.121 196 V CA 1.176 63.455 62.300 -0.034 0.000 1.160 196 V CB -0.143 31.682 31.823 0.003 0.000 0.908 196 V HN 0.257 nan 8.190 nan 0.000 0.495 197 A N 0.094 122.892 122.820 -0.037 0.000 1.930 197 A HA -0.179 4.141 4.320 -0.001 0.000 0.217 197 A C 2.212 179.759 177.584 -0.061 0.000 1.175 197 A CA 2.084 54.100 52.037 -0.034 0.000 0.627 197 A CB -0.514 18.479 19.000 -0.012 0.000 0.815 197 A HN 0.434 nan 8.150 nan 0.000 0.443 198 M N 0.161 119.681 119.600 -0.132 0.000 2.067 198 M HA -0.057 4.423 4.480 -0.001 0.000 0.260 198 M C -1.106 175.087 176.300 -0.177 0.000 1.069 198 M CA 2.009 57.179 55.300 -0.215 0.000 1.117 198 M CB -1.627 30.624 32.600 -0.581 0.000 1.334 198 M HN 0.118 nan 8.290 nan 0.000 0.407 199 P HA -0.040 nan 4.420 nan 0.000 0.218 199 P C 1.193 178.484 177.300 -0.015 0.000 1.149 199 P CA 2.100 65.148 63.100 -0.086 0.000 0.817 199 P CB -0.360 31.289 31.700 -0.085 0.000 0.785 200 A N -0.038 122.768 122.820 -0.023 0.000 1.930 200 A HA -0.194 4.125 4.320 -0.001 0.000 0.217 200 A C 2.207 179.793 177.584 0.004 0.000 1.175 200 A CA 1.361 53.398 52.037 -0.000 0.000 0.627 200 A CB -1.013 17.981 19.000 -0.011 0.000 0.815 200 A HN 0.060 nan 8.150 nan 0.000 0.443 201 E N -0.246 119.954 120.200 0.000 0.000 2.058 201 E HA -0.143 4.207 4.350 -0.001 0.000 0.194 201 E C 2.160 178.805 176.600 0.075 0.000 0.997 201 E CA 1.883 58.300 56.400 0.028 0.000 0.801 201 E CB -0.685 29.058 29.700 0.071 0.000 0.746 201 E HN 0.621 nan 8.360 nan 0.000 0.450 202 T N 1.472 116.077 114.554 0.085 0.000 2.777 202 T HA -0.166 4.184 4.350 -0.001 0.000 0.266 202 T C 1.902 176.603 174.700 0.001 0.000 1.040 202 T CA 1.288 63.453 62.100 0.109 0.000 1.141 202 T CB -0.174 68.780 68.868 0.143 0.000 0.868 202 T HN 0.207 nan 8.240 nan 0.000 0.444 203 Q N 0.372 120.194 119.800 0.036 0.000 2.077 203 Q HA -0.165 4.175 4.340 -0.001 0.000 0.206 203 Q C 2.347 178.353 176.000 0.011 0.000 0.989 203 Q CA 1.380 57.224 55.803 0.068 0.000 0.853 203 Q CB -0.316 28.495 28.738 0.122 0.000 0.907 203 Q HN 0.390 nan 8.270 nan 0.000 0.418 204 L N 0.688 121.916 121.223 0.009 0.000 2.083 204 L HA -0.110 4.229 4.340 -0.001 0.000 0.209 204 L C 2.188 179.041 176.870 -0.028 0.000 1.083 204 L CA 2.172 57.011 54.840 -0.003 0.000 0.752 204 L CB -0.889 41.166 42.059 -0.006 0.000 0.899 204 L HN 0.253 nan 8.230 nan 0.000 0.433 205 A N -0.209 122.596 122.820 -0.025 0.000 1.877 205 A HA -0.173 4.146 4.320 -0.001 0.000 0.216 205 A C 2.242 179.692 177.584 -0.222 0.000 1.186 205 A CA 2.070 54.104 52.037 -0.006 0.000 0.620 205 A CB -0.838 18.270 19.000 0.181 0.000 0.822 205 A HN 0.481 nan 8.150 nan 0.000 0.443 206 I N -0.147 120.089 120.570 -0.556 0.000 2.127 206 I HA -0.281 3.888 4.170 -0.001 0.000 0.241 206 I C 2.359 178.254 176.117 -0.371 0.000 1.075 206 I CA 1.324 62.097 61.300 -0.878 0.000 1.334 206 I CB -0.425 36.734 38.000 -1.402 0.000 1.040 206 I HN 0.269 nan 8.210 nan 0.000 0.405 207 L N -0.149 120.990 121.223 -0.140 0.000 2.131 207 L HA -0.185 4.154 4.340 -0.001 0.000 0.210 207 L C 2.643 179.483 176.870 -0.051 0.000 1.092 207 L CA 0.995 55.832 54.840 -0.005 0.000 0.759 207 L CB -0.610 41.490 42.059 0.068 0.000 0.903 207 L HN 0.212 nan 8.230 nan 0.000 0.435 208 S N 0.112 115.767 115.700 -0.075 0.000 2.382 208 S HA -0.120 4.349 4.470 -0.001 0.000 0.228 208 S C 1.979 176.504 174.600 -0.125 0.000 1.027 208 S CA 1.131 59.291 58.200 -0.068 0.000 0.991 208 S CB -0.194 62.983 63.200 -0.039 0.000 0.823 208 S HN 0.309 nan 8.310 nan 0.000 0.469 209 L N 0.710 121.812 121.223 -0.202 0.000 2.056 209 L HA -0.065 4.274 4.340 -0.001 0.000 0.207 209 L C 2.185 178.836 176.870 -0.364 0.000 1.078 209 L CA 1.135 55.742 54.840 -0.388 0.000 0.749 209 L CB -0.481 41.215 42.059 -0.604 0.000 0.901 209 L HN 0.316 nan 8.230 nan 0.000 0.433 210 I N -0.320 120.136 120.570 -0.190 0.000 2.162 210 I HA -0.284 3.886 4.170 -0.001 0.000 0.238 210 I C 2.341 178.346 176.117 -0.185 0.000 1.076 210 I CA 1.319 62.507 61.300 -0.186 0.000 1.353 210 I CB -0.263 37.726 38.000 -0.019 0.000 1.063 210 I HN 0.188 nan 8.210 nan 0.000 0.408 211 L N 0.641 121.825 121.223 -0.065 0.000 2.201 211 L HA -0.125 4.214 4.340 -0.001 0.000 0.212 211 L C 2.592 179.464 176.870 0.003 0.000 1.105 211 L CA 1.238 56.084 54.840 0.010 0.000 0.775 211 L CB -0.663 41.428 42.059 0.053 0.000 0.913 211 L HN 0.358 nan 8.230 nan 0.000 0.440 212 S N -0.585 115.089 115.700 -0.045 0.000 2.561 212 S HA 0.065 4.534 4.470 -0.001 0.000 0.225 212 S C 1.657 176.237 174.600 -0.033 0.000 0.977 212 S CA 0.463 58.642 58.200 -0.034 0.000 0.926 212 S CB 0.087 63.254 63.200 -0.055 0.000 0.769 212 S HN 0.549 nan 8.310 nan 0.000 0.533 213 G N 0.769 109.532 108.800 -0.062 0.000 2.159 213 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.256 213 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.256 213 G C 0.978 175.850 174.900 -0.047 0.000 0.977 213 G CA 0.212 45.292 45.100 -0.033 0.000 0.652 213 G HN 1.187 nan 8.290 nan 0.000 0.531 214 A N -0.368 122.373 122.820 -0.131 0.000 1.978 214 A HA 0.245 4.565 4.320 -0.001 0.000 0.220 214 A C 1.938 179.450 177.584 -0.120 0.000 1.170 214 A CA 1.968 53.911 52.037 -0.158 0.000 0.636 214 A CB -0.463 18.382 19.000 -0.258 0.000 0.810 214 A HN 0.747 nan 8.150 nan 0.000 0.448 215 F N 0.030 119.962 119.950 -0.029 0.000 2.451 215 F HA -0.087 4.440 4.527 -0.001 0.000 0.299 215 F C 2.261 178.139 175.800 0.129 0.000 1.101 215 F CA 0.754 58.794 58.000 0.066 0.000 1.436 215 F CB 0.167 39.233 39.000 0.112 0.000 1.074 215 F HN 0.212 nan 8.300 nan 0.000 0.553 216 E N 0.265 120.623 120.200 0.263 0.000 2.274 216 E HA -0.096 4.254 4.350 -0.001 0.000 0.194 216 E C 1.929 178.614 176.600 0.142 0.000 0.996 216 E CA 0.763 57.289 56.400 0.211 0.000 0.840 216 E CB -0.091 29.714 29.700 0.175 0.000 0.772 216 E HN 0.528 nan 8.360 nan 0.000 0.491 217 R N -0.210 120.355 120.500 0.109 0.000 2.167 217 R HA 0.266 4.606 4.340 -0.001 0.000 0.201 217 R C 1.019 177.365 176.300 0.076 0.000 1.024 217 R CA -0.030 56.113 56.100 0.072 0.000 1.053 217 R CB 0.391 30.714 30.300 0.039 0.000 0.987 217 R HN 0.026 nan 8.270 nan 0.000 0.493 218 I N 3.829 124.456 120.570 0.095 0.000 2.556 218 I HA 0.086 4.256 4.170 -0.001 0.000 0.284 218 I C -2.080 174.118 176.117 0.135 0.000 1.114 218 I CA -2.065 59.297 61.300 0.102 0.000 1.418 218 I CB 0.552 38.622 38.000 0.116 0.000 1.394 218 I HN -0.202 nan 8.210 nan 0.000 0.552 219 P HA 0.013 nan 4.420 nan 0.000 0.267 219 P C 0.174 177.526 177.300 0.087 0.000 1.200 219 P CA -0.172 62.969 63.100 0.068 0.000 0.772 219 P CB 0.483 32.197 31.700 0.024 0.000 0.855 220 K N 0.974 121.416 120.400 0.070 0.000 2.442 220 K HA -0.075 4.244 4.320 -0.001 0.000 0.198 220 K C 1.609 178.233 176.600 0.040 0.000 1.042 220 K CA 1.380 57.705 56.287 0.063 0.000 0.958 220 K CB -0.260 32.261 32.500 0.035 0.000 0.766 220 K HN 0.546 nan 8.250 nan 0.000 0.474 221 S N 0.822 116.532 115.700 0.017 0.000 2.515 221 S HA -0.067 4.402 4.470 -0.001 0.000 0.231 221 S C 0.864 175.442 174.600 -0.037 0.000 0.987 221 S CA -0.183 58.006 58.200 -0.019 0.000 0.936 221 S CB -0.369 62.806 63.200 -0.041 0.000 0.766 221 S HN 0.199 nan 8.310 nan 0.000 0.528 222 L N 3.005 124.232 121.223 0.006 0.000 2.559 222 L HA 0.189 4.529 4.340 -0.001 0.000 0.274 222 L C -0.241 176.628 176.870 -0.001 0.000 1.205 222 L CA 0.621 55.462 54.840 0.001 0.000 0.907 222 L CB 0.054 42.171 42.059 0.097 0.000 1.153 222 L HN 0.100 nan 8.230 nan 0.000 0.490 223 K N 7.514 127.821 120.400 -0.155 0.000 2.281 223 K HA 0.471 4.791 4.320 -0.001 0.000 0.272 223 K C -0.929 175.589 176.600 -0.136 0.000 1.048 223 K CA -0.406 55.691 56.287 -0.317 0.000 0.898 223 K CB 1.407 33.348 32.500 -0.931 0.000 1.128 223 K HN 0.653 nan 8.250 nan 0.000 0.460 224 I N 2.272 122.987 120.570 0.242 0.000 2.534 224 I HA 0.266 4.436 4.170 -0.001 0.000 0.288 224 I C -1.449 174.872 176.117 0.340 0.000 1.077 224 I CA -0.684 60.764 61.300 0.247 0.000 1.051 224 I CB 1.317 39.410 38.000 0.155 0.000 1.234 224 I HN 0.710 nan 8.210 nan 0.000 0.425 225 C N 7.301 126.651 119.300 0.083 0.000 2.455 225 C HA 0.625 5.084 4.460 -0.001 0.000 0.320 225 C C -0.867 173.997 174.990 -0.211 0.000 1.226 225 C CA -0.555 58.470 59.018 0.013 0.000 1.569 225 C CB 0.647 28.229 27.740 -0.263 0.000 2.200 225 C HN 0.660 nan 8.230 nan 0.000 0.491 226 F N 4.156 124.222 119.950 0.192 0.000 2.405 226 F HA 0.532 5.058 4.527 -0.001 0.000 0.355 226 F C 1.152 177.044 175.800 0.153 0.000 1.121 226 F CA 0.228 58.309 58.000 0.135 0.000 1.112 226 F CB 1.225 40.252 39.000 0.044 0.000 1.126 226 F HN 0.811 nan 8.300 nan 0.000 0.481 227 G N 0.947 109.909 108.800 0.270 0.000 2.562 227 G HA2 0.291 4.250 3.960 -0.001 0.000 0.275 227 G HA3 0.291 4.250 3.960 -0.001 0.000 0.275 227 G C -0.360 174.700 174.900 0.267 0.000 1.196 227 G CA -0.398 44.850 45.100 0.246 0.000 0.908 227 G HN 0.860 nan 8.290 nan 0.000 0.524 228 H N -0.883 118.357 119.070 0.284 0.000 2.819 228 H HA -0.212 4.343 4.556 -0.001 0.000 0.315 228 H C 1.722 177.137 175.328 0.145 0.000 1.242 228 H CA 1.423 57.570 56.048 0.165 0.000 1.157 228 H CB -1.400 28.415 29.762 0.088 0.000 1.451 228 H HN 1.909 nan 8.280 nan 0.000 0.430 229 G N -1.091 107.838 108.800 0.215 0.000 2.166 229 G HA2 -0.141 3.818 3.960 -0.001 0.000 0.260 229 G HA3 -0.141 3.818 3.960 -0.001 0.000 0.260 229 G C 1.415 176.451 174.900 0.227 0.000 0.986 229 G CA 1.326 46.542 45.100 0.193 0.000 0.683 229 G HN 1.783 nan 8.290 nan 0.000 0.527 230 G N -1.657 107.297 108.800 0.258 0.000 2.168 230 G HA2 0.243 4.203 3.960 -0.001 0.000 0.263 230 G HA3 0.243 4.203 3.960 -0.001 0.000 0.263 230 G C 1.751 176.772 174.900 0.202 0.000 0.977 230 G CA 0.633 45.879 45.100 0.243 0.000 0.659 230 G HN 2.779 nan 8.290 nan 0.000 0.533 231 G N -0.644 108.260 108.800 0.174 0.000 2.556 231 G HA2 -0.029 3.931 3.960 -0.001 0.000 0.283 231 G HA3 -0.029 3.931 3.960 -0.001 0.000 0.283 231 G C 1.328 176.309 174.900 0.134 0.000 1.177 231 G CA 2.044 47.211 45.100 0.111 0.000 0.978 231 G HN 2.032 nan 8.290 nan 0.000 0.554 232 S N -0.003 115.775 115.700 0.130 0.000 2.556 232 S HA 0.369 4.839 4.470 -0.001 0.000 0.216 232 S C 1.669 176.391 174.600 0.202 0.000 0.970 232 S CA 1.005 59.294 58.200 0.149 0.000 0.912 232 S CB 0.137 63.404 63.200 0.111 0.000 0.790 232 S HN 1.024 nan 8.310 nan 0.000 0.504 233 F N 3.535 123.534 119.950 0.081 0.000 2.045 233 F HA -0.267 4.259 4.527 -0.001 0.000 0.297 233 F C 2.450 178.321 175.800 0.117 0.000 1.114 233 F CA 1.689 59.733 58.000 0.075 0.000 1.207 233 F CB -0.884 38.142 39.000 0.044 0.000 0.964 233 F HN 0.318 nan 8.300 nan 0.000 0.486 234 A N -0.740 122.185 122.820 0.174 0.000 1.978 234 A HA -0.226 4.093 4.320 -0.001 0.000 0.220 234 A C 2.118 179.699 177.584 -0.005 0.000 1.170 234 A CA 1.704 53.782 52.037 0.069 0.000 0.636 234 A CB -1.478 17.649 19.000 0.212 0.000 0.810 234 A HN 0.582 nan 8.150 nan 0.000 0.448 235 F N -0.228 119.672 119.950 -0.083 0.000 2.335 235 F HA 0.179 4.705 4.527 -0.001 0.000 0.296 235 F C 1.449 177.189 175.800 -0.099 0.000 1.091 235 F CA 0.970 58.930 58.000 -0.066 0.000 1.399 235 F CB 0.095 39.082 39.000 -0.021 0.000 1.067 235 F HN 0.081 nan 8.300 nan 0.000 0.520 236 L N -0.075 121.071 121.223 -0.129 0.000 2.607 236 L HA 0.061 4.401 4.340 -0.001 0.000 0.228 236 L C 1.805 178.519 176.870 -0.259 0.000 1.123 236 L CA -0.232 54.489 54.840 -0.199 0.000 0.890 236 L CB -0.230 41.802 42.059 -0.044 0.000 1.103 236 L HN 0.173 nan 8.230 nan 0.000 0.468 237 L N 1.027 122.024 121.223 -0.376 0.000 2.042 237 L HA -0.086 4.254 4.340 -0.001 0.000 0.210 237 L C 2.370 179.107 176.870 -0.222 0.000 1.076 237 L CA 2.196 56.790 54.840 -0.410 0.000 0.749 237 L CB -1.041 40.697 42.059 -0.535 0.000 0.893 237 L HN 0.203 nan 8.230 nan 0.000 0.432 238 G N -0.304 108.372 108.800 -0.207 0.000 2.505 238 G HA2 -0.328 3.632 3.960 -0.001 0.000 0.220 238 G HA3 -0.328 3.632 3.960 -0.001 0.000 0.220 238 G C 1.626 176.471 174.900 -0.091 0.000 1.145 238 G CA 1.001 46.016 45.100 -0.142 0.000 0.761 238 G HN 0.411 nan 8.290 nan 0.000 0.571 239 R N 0.124 120.558 120.500 -0.111 0.000 2.096 239 R HA -0.033 4.306 4.340 -0.001 0.000 0.235 239 R C 2.635 178.936 176.300 0.001 0.000 1.127 239 R CA 1.248 57.318 56.100 -0.050 0.000 0.968 239 R CB -1.166 29.100 30.300 -0.057 0.000 0.861 239 R HN 0.404 nan 8.270 nan 0.000 0.440 240 V N 1.866 121.770 119.914 -0.017 0.000 2.358 240 V HA -0.192 3.928 4.120 -0.001 0.000 0.246 240 V C 1.762 177.915 176.094 0.097 0.000 1.047 240 V CA 1.902 64.224 62.300 0.036 0.000 1.035 240 V CB -0.484 31.343 31.823 0.006 0.000 0.658 240 V HN 0.135 nan 8.190 nan 0.000 0.452 241 D N 0.061 120.491 120.400 0.051 0.000 2.117 241 D HA -0.168 4.472 4.640 -0.001 0.000 0.197 241 D C 2.136 178.545 176.300 0.181 0.000 0.987 241 D CA 1.267 55.328 54.000 0.101 0.000 0.829 241 D CB -0.484 40.326 40.800 0.018 0.000 0.961 241 D HN 0.447 nan 8.370 nan 0.000 0.460 242 N N 0.542 119.319 118.700 0.128 0.000 2.069 242 N HA -0.187 4.552 4.740 -0.001 0.000 0.191 242 N C 1.752 177.395 175.510 0.221 0.000 1.031 242 N CA 1.544 54.704 53.050 0.184 0.000 0.852 242 N CB 0.041 38.615 38.487 0.146 0.000 1.018 242 N HN 0.068 nan 8.380 nan 0.000 0.423 243 A N 0.133 123.056 122.820 0.171 0.000 1.940 243 A HA -0.188 4.131 4.320 -0.001 0.000 0.219 243 A C 1.994 179.678 177.584 0.167 0.000 1.176 243 A CA 1.345 53.475 52.037 0.155 0.000 0.631 243 A CB -1.309 17.762 19.000 0.119 0.000 0.814 243 A HN 0.730 nan 8.150 nan 0.000 0.446 244 W N 0.477 121.783 121.300 0.010 0.000 2.388 244 W HA -0.100 4.560 4.660 -0.001 0.000 0.294 244 W C 2.272 178.757 176.519 -0.057 0.000 1.212 244 W CA 1.588 58.931 57.345 -0.003 0.000 1.271 244 W CB -0.044 29.428 29.460 0.020 0.000 1.126 244 W HN 0.203 nan 8.180 nan 0.000 0.535 245 R N -1.228 119.296 120.500 0.039 0.000 2.115 245 R HA -0.115 4.225 4.340 -0.001 0.000 0.230 245 R C 0.981 176.944 176.300 -0.562 0.000 1.111 245 R CA 1.595 57.475 56.100 -0.367 0.000 0.976 245 R CB -0.483 29.559 30.300 -0.429 0.000 0.870 245 R HN 0.386 nan 8.270 nan 0.000 0.445 246 H N -1.460 117.578 119.070 -0.053 0.000 2.893 246 H HA 0.295 4.851 4.556 -0.001 0.000 0.270 246 H C -0.341 174.949 175.328 -0.064 0.000 1.095 246 H CA -0.278 55.737 56.048 -0.053 0.000 1.186 246 H CB 0.731 30.483 29.762 -0.016 0.000 1.562 246 H HN -0.267 nan 8.280 nan 0.000 0.536 247 R N 0.615 121.105 120.500 -0.016 0.000 2.515 247 R HA 0.107 4.447 4.340 -0.001 0.000 0.291 247 R C -0.324 175.926 176.300 -0.082 0.000 1.046 247 R CA -0.516 55.571 56.100 -0.022 0.000 0.914 247 R CB 1.521 31.832 30.300 0.018 0.000 1.191 247 R HN 0.162 nan 8.270 nan 0.000 0.435 248 D N 2.269 122.625 120.400 -0.073 0.000 2.106 248 D HA -0.195 4.444 4.640 -0.001 0.000 0.191 248 D C 1.766 178.031 176.300 -0.059 0.000 0.997 248 D CA 1.797 55.747 54.000 -0.083 0.000 0.834 248 D CB 0.018 40.786 40.800 -0.054 0.000 0.956 248 D HN 0.725 nan 8.370 nan 0.000 0.448 249 I N -1.565 118.990 120.570 -0.026 0.000 2.530 249 I HA -0.189 3.980 4.170 -0.001 0.000 0.257 249 I C 1.782 177.907 176.117 0.014 0.000 1.179 249 I CA 0.928 62.226 61.300 -0.003 0.000 1.440 249 I CB -0.324 37.679 38.000 0.006 0.000 1.087 249 I HN -0.132 nan 8.210 nan 0.000 0.440 250 V N 1.102 121.024 119.914 0.013 0.000 2.535 250 V HA -0.077 4.043 4.120 -0.001 0.000 0.246 250 V C 2.750 178.901 176.094 0.096 0.000 1.045 250 V CA 1.702 64.045 62.300 0.071 0.000 1.058 250 V CB -0.834 31.049 31.823 0.101 0.000 0.689 250 V HN 0.419 nan 8.190 nan 0.000 0.461 251 R N 0.011 120.458 120.500 -0.089 0.000 2.153 251 R HA -0.086 4.253 4.340 -0.001 0.000 0.218 251 R C 2.292 178.589 176.300 -0.005 0.000 1.072 251 R CA 0.901 56.848 56.100 -0.256 0.000 0.990 251 R CB -0.087 29.821 30.300 -0.654 0.000 0.889 251 R HN 0.601 nan 8.270 nan 0.000 0.452 252 E N 0.475 120.672 120.200 -0.005 0.000 2.108 252 E HA -0.229 4.120 4.350 -0.001 0.000 0.203 252 E C 0.338 176.976 176.600 0.064 0.000 1.022 252 E CA 1.800 58.211 56.400 0.019 0.000 0.823 252 E CB 0.080 29.787 29.700 0.011 0.000 0.744 252 E HN 0.378 nan 8.360 nan 0.000 0.456 253 D N -1.096 119.358 120.400 0.089 0.000 2.363 253 D HA 0.054 4.694 4.640 -0.001 0.000 0.214 253 D C -0.410 175.967 176.300 0.129 0.000 1.093 253 D CA 0.066 54.119 54.000 0.088 0.000 0.837 253 D CB 0.379 41.212 40.800 0.055 0.000 0.948 253 D HN 0.002 nan 8.370 nan 0.000 0.507 254 C N 2.130 121.563 119.300 0.223 0.000 2.455 254 C HA 0.367 4.827 4.460 -0.001 0.000 0.321 254 C C -1.865 173.425 174.990 0.501 0.000 1.102 254 C CA -1.805 57.393 59.018 0.299 0.000 1.413 254 C CB 1.010 28.913 27.740 0.272 0.000 1.952 254 C HN -0.042 nan 8.230 nan 0.000 0.428 255 P HA 0.067 nan 4.420 nan 0.000 0.231 255 P C 0.025 177.597 177.300 0.454 0.000 1.168 255 P CA 0.953 64.284 63.100 0.386 0.000 0.779 255 P CB 0.127 31.978 31.700 0.251 0.000 0.844 256 R N -0.587 120.111 120.500 0.329 0.000 2.803 256 R HA 0.472 4.811 4.340 -0.001 0.000 0.276 256 R C -2.722 173.196 176.300 -0.636 0.000 0.978 256 R CA -2.801 53.286 56.100 -0.022 0.000 0.939 256 R CB 0.566 30.767 30.300 -0.165 0.000 1.179 256 R HN -0.197 nan 8.270 nan 0.000 0.472 257 P HA -0.070 nan 4.420 nan 0.000 0.259 257 P C -2.018 174.901 177.300 -0.635 0.000 1.163 257 P CA -0.561 61.738 63.100 -1.336 0.000 0.760 257 P CB 0.257 31.581 31.700 -0.626 0.000 0.762 258 P HA -0.260 nan 4.420 nan 0.000 0.217 258 P C 1.531 178.903 177.300 0.121 0.000 1.151 258 P CA 1.981 65.066 63.100 -0.025 0.000 0.849 258 P CB -0.323 31.354 31.700 -0.038 0.000 0.787 259 S N -0.389 115.292 115.700 -0.033 0.000 2.400 259 S HA -0.225 4.245 4.470 -0.001 0.000 0.232 259 S C 1.810 176.391 174.600 -0.033 0.000 1.025 259 S CA 1.275 59.473 58.200 -0.004 0.000 0.993 259 S CB -1.273 61.885 63.200 -0.071 0.000 0.808 259 S HN 0.274 nan 8.310 nan 0.000 0.478 260 E N 0.001 120.113 120.200 -0.147 0.000 2.409 260 E HA -0.060 4.290 4.350 -0.001 0.000 0.198 260 E C 0.828 177.234 176.600 -0.324 0.000 1.024 260 E CA 0.758 56.997 56.400 -0.268 0.000 0.861 260 E CB -0.234 29.231 29.700 -0.390 0.000 0.788 260 E HN 0.769 nan 8.360 nan 0.000 0.521 261 Y N -0.442 119.822 120.300 -0.060 0.000 2.529 261 Y HA -0.076 4.473 4.550 -0.001 0.000 0.290 261 Y C 2.110 177.912 175.900 -0.163 0.000 1.177 261 Y CA 0.102 58.159 58.100 -0.072 0.000 1.305 261 Y CB 0.082 38.590 38.460 0.080 0.000 1.047 261 Y HN 0.016 nan 8.280 nan 0.000 0.522 262 V N -1.213 118.647 119.914 -0.090 0.000 2.688 262 V HA -0.261 3.858 4.120 -0.001 0.000 0.256 262 V C 1.723 177.453 176.094 -0.607 0.000 1.084 262 V CA 2.073 64.088 62.300 -0.474 0.000 1.103 262 V CB -0.578 31.092 31.823 -0.255 0.000 0.688 262 V HN 0.473 nan 8.190 nan 0.000 0.480 263 D N -0.182 119.986 120.400 -0.386 0.000 2.363 263 D HA -0.116 4.523 4.640 -0.001 0.000 0.226 263 D C 1.882 177.985 176.300 -0.328 0.000 1.020 263 D CA 0.415 54.205 54.000 -0.350 0.000 0.892 263 D CB -0.364 40.287 40.800 -0.248 0.000 0.900 263 D HN 0.391 nan 8.370 nan 0.000 0.531 264 R N -0.289 119.980 120.500 -0.384 0.000 2.312 264 R HA 0.232 4.571 4.340 -0.001 0.000 0.205 264 R C 0.149 176.437 176.300 -0.020 0.000 0.904 264 R CA 0.038 55.936 56.100 -0.336 0.000 1.052 264 R CB -0.126 29.645 30.300 -0.883 0.000 1.014 264 R HN 0.367 nan 8.270 nan 0.000 0.503 265 F N -2.835 117.079 119.950 -0.060 0.000 2.754 265 F HA 0.674 5.200 4.527 -0.001 0.000 0.320 265 F C -1.029 174.862 175.800 0.153 0.000 1.156 265 F CA -1.924 56.226 58.000 0.250 0.000 0.950 265 F CB 0.735 40.006 39.000 0.453 0.000 1.388 265 F HN -0.318 nan 8.300 nan 0.000 0.485 266 F N 0.610 120.822 119.950 0.436 0.000 2.631 266 F HA 0.809 5.335 4.527 -0.001 0.000 0.328 266 F C -0.200 175.822 175.800 0.369 0.000 1.067 266 F CA -1.015 57.115 58.000 0.217 0.000 0.969 266 F CB 2.226 41.249 39.000 0.037 0.000 1.332 266 F HN 0.584 nan 8.300 nan 0.000 0.490 267 V N -1.378 118.777 119.914 0.401 0.000 3.007 267 V HA 0.729 4.849 4.120 -0.001 0.000 0.311 267 V C -1.211 175.009 176.094 0.210 0.000 1.120 267 V CA -0.972 61.529 62.300 0.335 0.000 0.980 267 V CB 1.748 33.762 31.823 0.317 0.000 1.033 267 V HN 0.760 nan 8.190 nan 0.000 0.429 268 D N 1.808 122.317 120.400 0.181 0.000 2.451 268 D HA 0.402 5.041 4.640 -0.001 0.000 0.259 268 D C 0.957 177.316 176.300 0.099 0.000 1.201 268 D CA 0.127 54.202 54.000 0.126 0.000 1.028 268 D CB 1.271 42.158 40.800 0.144 0.000 1.095 268 D HN 0.862 nan 8.370 nan 0.000 0.539 269 S N -2.087 113.641 115.700 0.047 0.000 2.577 269 S HA 0.329 4.798 4.470 -0.001 0.000 0.219 269 S C 0.888 175.457 174.600 -0.052 0.000 0.962 269 S CA -0.337 57.870 58.200 0.013 0.000 0.921 269 S CB -0.340 62.859 63.200 -0.002 0.000 0.789 269 S HN 0.693 nan 8.310 nan 0.000 0.497 270 A N 1.937 124.723 122.820 -0.056 0.000 2.981 270 A HA 0.529 4.849 4.320 -0.001 0.000 0.280 270 A C 0.971 178.511 177.584 -0.073 0.000 1.743 270 A CA -0.285 51.636 52.037 -0.193 0.000 1.430 270 A CB -0.772 18.188 19.000 -0.068 0.000 1.085 270 A HN 1.012 nan 8.150 nan 0.000 0.597 271 V N -2.145 117.695 119.914 -0.124 0.000 3.477 271 V HA 0.297 4.417 4.120 -0.001 0.000 0.297 271 V C 0.542 176.765 176.094 0.214 0.000 1.433 271 V CA -0.025 62.339 62.300 0.107 0.000 1.052 271 V CB -1.703 30.169 31.823 0.082 0.000 0.895 271 V HN 0.731 nan 8.190 nan 0.000 0.438 272 F N 0.864 120.856 119.950 0.070 0.000 3.090 272 F HA -0.186 4.340 4.527 -0.001 0.000 0.282 272 F C 0.346 176.170 175.800 0.040 0.000 0.923 272 F CA 1.413 59.450 58.000 0.063 0.000 0.977 272 F CB -2.165 36.881 39.000 0.077 0.000 0.954 272 F HN 0.686 nan 8.300 nan 0.000 0.695 273 N N -1.637 117.132 118.700 0.115 0.000 2.635 273 N HA 0.342 5.082 4.740 -0.001 0.000 0.260 273 N C -2.034 173.502 175.510 0.043 0.000 1.078 273 N CA -1.505 51.593 53.050 0.080 0.000 1.012 273 N CB 1.633 40.161 38.487 0.068 0.000 1.677 273 N HN -0.354 nan 8.380 nan 0.000 0.514 274 P HA -0.024 nan 4.420 nan 0.000 0.215 274 P C 1.170 178.486 177.300 0.027 0.000 1.157 274 P CA 1.465 64.581 63.100 0.026 0.000 0.868 274 P CB 0.108 31.823 31.700 0.025 0.000 0.788 275 G N -0.138 108.678 108.800 0.028 0.000 2.418 275 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.217 275 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.217 275 G C 1.666 176.588 174.900 0.037 0.000 1.158 275 G CA 0.929 46.047 45.100 0.030 0.000 0.771 275 G HN 0.337 nan 8.290 nan 0.000 0.545 276 A N 0.334 123.171 122.820 0.030 0.000 1.933 276 A HA 0.087 4.407 4.320 -0.001 0.000 0.218 276 A C 2.337 179.953 177.584 0.052 0.000 1.175 276 A CA 1.631 53.690 52.037 0.037 0.000 0.628 276 A CB -0.404 18.613 19.000 0.028 0.000 0.814 276 A HN 0.418 nan 8.150 nan 0.000 0.444 277 L N 0.156 121.403 121.223 0.039 0.000 2.027 277 L HA -0.130 4.210 4.340 -0.001 0.000 0.206 277 L C 2.193 179.086 176.870 0.038 0.000 1.074 277 L CA 2.344 57.204 54.840 0.034 0.000 0.745 277 L CB -0.706 41.362 42.059 0.016 0.000 0.898 277 L HN 0.510 nan 8.230 nan 0.000 0.433 278 E N -0.767 119.454 120.200 0.035 0.000 2.085 278 E HA -0.264 4.086 4.350 -0.001 0.000 0.194 278 E C 2.093 178.718 176.600 0.042 0.000 0.994 278 E CA 1.540 57.959 56.400 0.033 0.000 0.801 278 E CB -0.327 29.390 29.700 0.030 0.000 0.743 278 E HN 0.419 nan 8.360 nan 0.000 0.453 279 L N 0.884 122.142 121.223 0.058 0.000 2.072 279 L HA -0.090 4.249 4.340 -0.001 0.000 0.205 279 L C 2.170 179.086 176.870 0.078 0.000 1.079 279 L CA 1.136 56.020 54.840 0.074 0.000 0.752 279 L CB -0.505 41.623 42.059 0.115 0.000 0.906 279 L HN 0.085 nan 8.230 nan 0.000 0.436 280 L N -0.838 120.437 121.223 0.088 0.000 1.997 280 L HA -0.222 4.117 4.340 -0.001 0.000 0.216 280 L C 2.413 179.323 176.870 0.067 0.000 1.074 280 L CA 2.132 57.031 54.840 0.099 0.000 0.763 280 L CB -0.772 41.347 42.059 0.100 0.000 0.890 280 L HN 0.146 nan 8.230 nan 0.000 0.434 281 V N -1.380 118.560 119.914 0.044 0.000 2.427 281 V HA -0.242 3.877 4.120 -0.001 0.000 0.248 281 V C 2.713 178.811 176.094 0.007 0.000 1.051 281 V CA 1.594 63.906 62.300 0.021 0.000 1.048 281 V CB -0.472 31.361 31.823 0.016 0.000 0.666 281 V HN 0.664 nan 8.190 nan 0.000 0.456 282 S N 0.070 115.779 115.700 0.015 0.000 2.359 282 S HA -0.210 4.260 4.470 -0.001 0.000 0.222 282 S C 2.013 176.610 174.600 -0.005 0.000 1.038 282 S CA 2.319 60.521 58.200 0.004 0.000 1.051 282 S CB -0.307 62.901 63.200 0.013 0.000 0.944 282 S HN 0.320 nan 8.310 nan 0.000 0.433 283 V N 1.893 121.815 119.914 0.012 0.000 2.343 283 V HA -0.118 4.001 4.120 -0.001 0.000 0.247 283 V C 2.537 178.624 176.094 -0.012 0.000 1.051 283 V CA 1.822 64.128 62.300 0.011 0.000 1.036 283 V CB -0.514 31.340 31.823 0.051 0.000 0.654 283 V HN 0.523 nan 8.190 nan 0.000 0.451 284 M N -0.874 118.716 119.600 -0.017 0.000 2.501 284 M HA 0.301 4.781 4.480 -0.001 0.000 0.261 284 M C 1.117 177.332 176.300 -0.141 0.000 1.129 284 M CA 1.026 56.269 55.300 -0.094 0.000 1.126 284 M CB -0.636 31.928 32.600 -0.059 0.000 1.359 284 M HN 0.524 nan 8.290 nan 0.000 0.471 285 G N 1.897 110.645 108.800 -0.088 0.000 2.722 285 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.686 285 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.686 285 G C 0.457 175.312 174.900 -0.074 0.000 1.282 285 G CA 0.072 45.119 45.100 -0.088 0.000 0.817 285 G HN 0.590 nan 8.290 nan 0.000 0.605 286 E N -0.024 120.148 120.200 -0.046 0.000 2.265 286 E HA -0.107 4.243 4.350 -0.001 0.000 0.196 286 E C 1.010 177.599 176.600 -0.017 0.000 0.996 286 E CA 1.287 57.674 56.400 -0.022 0.000 0.832 286 E CB 0.043 29.738 29.700 -0.009 0.000 0.756 286 E HN 0.455 nan 8.360 nan 0.000 0.491 287 D N 0.850 121.221 120.400 -0.048 0.000 2.363 287 D HA 0.006 4.646 4.640 -0.001 0.000 0.226 287 D C 0.970 177.227 176.300 -0.071 0.000 1.020 287 D CA 0.472 54.453 54.000 -0.031 0.000 0.892 287 D CB 0.138 40.901 40.800 -0.061 0.000 0.900 287 D HN 0.238 nan 8.370 nan 0.000 0.531 288 R N -0.208 120.198 120.500 -0.157 0.000 2.600 288 R HA 0.229 4.569 4.340 -0.001 0.000 0.392 288 R C -0.607 175.684 176.300 -0.016 0.000 1.032 288 R CA -0.048 55.843 56.100 -0.349 0.000 1.139 288 R CB 1.773 31.695 30.300 -0.630 0.000 1.400 288 R HN -0.120 nan 8.270 nan 0.000 0.566 289 V N 1.873 121.832 119.914 0.075 0.000 2.487 289 V HA 0.479 4.598 4.120 -0.001 0.000 0.298 289 V C -0.259 175.901 176.094 0.111 0.000 1.028 289 V CA -0.528 61.832 62.300 0.099 0.000 0.860 289 V CB 2.003 33.861 31.823 0.058 0.000 0.991 289 V HN 0.146 nan 8.190 nan 0.000 0.427 290 M N 4.645 124.306 119.600 0.102 0.000 2.395 290 M HA 0.497 4.977 4.480 -0.001 0.000 0.307 290 M C -0.931 175.405 176.300 0.059 0.000 1.091 290 M CA -0.998 54.349 55.300 0.077 0.000 0.919 290 M CB 2.289 34.915 32.600 0.043 0.000 1.662 290 M HN 0.486 nan 8.290 nan 0.000 0.440 291 L N 2.733 123.985 121.223 0.048 0.000 2.584 291 L HA 0.436 4.776 4.340 -0.001 0.000 0.272 291 L C 0.033 176.927 176.870 0.041 0.000 1.195 291 L CA 0.917 55.774 54.840 0.029 0.000 0.920 291 L CB -0.156 41.915 42.059 0.019 0.000 1.173 291 L HN 0.752 nan 8.230 nan 0.000 0.489 292 G N 2.455 111.273 108.800 0.031 0.000 2.662 292 G HA2 0.479 4.438 3.960 -0.001 0.000 0.302 292 G HA3 0.479 4.438 3.960 -0.001 0.000 0.302 292 G C -0.003 174.892 174.900 -0.008 0.000 1.389 292 G CA 0.133 45.263 45.100 0.050 0.000 0.998 292 G HN 0.765 nan 8.290 nan 0.000 0.502 293 S N 0.278 116.003 115.700 0.040 0.000 2.564 293 S HA 0.175 4.644 4.470 -0.001 0.000 0.231 293 S C 0.758 175.467 174.600 0.183 0.000 1.067 293 S CA 1.058 59.314 58.200 0.094 0.000 0.908 293 S CB 0.310 63.598 63.200 0.147 0.000 0.809 293 S HN 0.662 nan 8.310 nan 0.000 0.491 294 D N -0.151 120.347 120.400 0.163 0.000 2.947 294 D HA -0.193 4.446 4.640 -0.001 0.000 0.224 294 D C -0.487 176.092 176.300 0.464 0.000 1.132 294 D CA 0.447 54.677 54.000 0.383 0.000 0.801 294 D CB -2.211 38.902 40.800 0.521 0.000 1.097 294 D HN 0.681 nan 8.370 nan 0.000 0.431 295 Y N 0.298 120.730 120.300 0.221 0.000 2.712 295 Y HA 0.285 4.835 4.550 -0.001 0.000 0.333 295 Y C -1.663 174.271 175.900 0.056 0.000 1.225 295 Y CA -0.482 57.702 58.100 0.140 0.000 1.499 295 Y CB 0.971 39.486 38.460 0.092 0.000 1.288 295 Y HN -0.006 nan 8.280 nan 0.000 0.575 296 P HA 0.165 nan 4.420 nan 0.000 0.298 296 P C -1.049 175.995 177.300 -0.426 0.000 1.802 296 P CA -0.115 62.376 63.100 -1.016 0.000 1.331 296 P CB -0.293 30.496 31.700 -1.518 0.000 1.699 297 F N 1.582 121.546 119.950 0.023 0.000 2.406 297 F HA 0.261 4.788 4.527 -0.001 0.000 0.327 297 F C -0.714 175.115 175.800 0.048 0.000 1.153 297 F CA -2.031 55.994 58.000 0.040 0.000 1.218 297 F CB 0.120 39.130 39.000 0.018 0.000 1.215 297 F HN -0.107 nan 8.300 nan 0.000 0.570 298 P HA -0.010 nan 4.420 nan 0.000 0.231 298 P C 1.147 178.495 177.300 0.080 0.000 1.168 298 P CA 1.067 64.228 63.100 0.101 0.000 0.779 298 P CB 0.264 31.988 31.700 0.039 0.000 0.844 299 L N -1.519 119.741 121.223 0.061 0.000 2.592 299 L HA 0.221 4.560 4.340 -0.001 0.000 0.227 299 L C 1.287 178.275 176.870 0.196 0.000 1.127 299 L CA -0.174 54.680 54.840 0.024 0.000 0.884 299 L CB -0.699 41.294 42.059 -0.109 0.000 1.065 299 L HN -0.018 nan 8.230 nan 0.000 0.457 300 G N 0.417 109.407 108.800 0.315 0.000 2.569 300 G HA2 0.019 3.979 3.960 -0.001 0.000 0.249 300 G HA3 0.019 3.979 3.960 -0.001 0.000 0.249 300 G C -0.112 175.061 174.900 0.455 0.000 1.216 300 G CA -0.356 45.016 45.100 0.453 0.000 0.845 300 G HN 0.230 nan 8.290 nan 0.000 0.568 301 E N 0.750 121.220 120.200 0.450 0.000 2.491 301 E HA -0.033 4.317 4.350 -0.001 0.000 0.250 301 E C 0.926 177.674 176.600 0.247 0.000 1.061 301 E CA -0.263 56.335 56.400 0.330 0.000 0.942 301 E CB 0.397 30.148 29.700 0.086 0.000 0.957 301 E HN 0.379 nan 8.360 nan 0.000 0.480 302 Q N 3.240 123.176 119.800 0.227 0.000 2.297 302 Q HA -0.043 4.296 4.340 -0.001 0.000 0.204 302 Q C 0.105 176.184 176.000 0.133 0.000 0.962 302 Q CA 1.180 57.088 55.803 0.174 0.000 0.879 302 Q CB 0.119 28.939 28.738 0.137 0.000 0.947 302 Q HN 0.351 nan 8.270 nan 0.000 0.462 303 K N 0.866 121.332 120.400 0.110 0.000 2.478 303 K HA 0.324 4.644 4.320 -0.001 0.000 0.236 303 K C -0.824 175.809 176.600 0.054 0.000 1.021 303 K CA -0.304 56.026 56.287 0.072 0.000 1.010 303 K CB 0.426 32.959 32.500 0.055 0.000 1.331 303 K HN -0.012 nan 8.250 nan 0.000 0.470 304 I N 2.661 123.260 120.570 0.049 0.000 2.664 304 I HA -0.065 4.104 4.170 -0.001 0.000 0.284 304 I C 1.336 177.457 176.117 0.007 0.000 1.154 304 I CA 1.100 62.418 61.300 0.029 0.000 1.402 304 I CB 0.347 38.354 38.000 0.012 0.000 1.395 304 I HN 1.003 nan 8.210 nan 0.000 0.545 305 G N 4.395 113.194 108.800 -0.002 0.000 2.194 305 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.236 305 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.236 305 G C 1.053 175.950 174.900 -0.006 0.000 0.987 305 G CA 0.163 45.258 45.100 -0.008 0.000 0.635 305 G HN 0.854 nan 8.290 nan 0.000 0.520 306 G N 0.702 109.503 108.800 0.002 0.000 2.476 306 G HA2 -0.039 3.920 3.960 -0.001 0.000 0.218 306 G HA3 -0.039 3.920 3.960 -0.001 0.000 0.218 306 G C 1.764 176.665 174.900 0.002 0.000 1.164 306 G CA 1.766 46.871 45.100 0.009 0.000 0.768 306 G HN 1.082 nan 8.290 nan 0.000 0.560 307 L N 0.437 121.652 121.223 -0.013 0.000 2.046 307 L HA 0.006 4.345 4.340 -0.001 0.000 0.208 307 L C 2.940 179.802 176.870 -0.013 0.000 1.077 307 L CA 1.340 56.169 54.840 -0.019 0.000 0.747 307 L CB -0.292 41.731 42.059 -0.059 0.000 0.896 307 L HN 0.099 nan 8.230 nan 0.000 0.432 308 V N -0.526 119.378 119.914 -0.016 0.000 2.283 308 V HA -0.268 3.852 4.120 -0.001 0.000 0.243 308 V C 2.437 178.531 176.094 0.001 0.000 1.039 308 V CA 1.859 64.155 62.300 -0.006 0.000 1.016 308 V CB -0.521 31.299 31.823 -0.005 0.000 0.650 308 V HN 0.396 nan 8.190 nan 0.000 0.449 309 L N 0.995 122.219 121.223 0.001 0.000 2.261 309 L HA -0.130 4.209 4.340 -0.001 0.000 0.216 309 L C 2.224 179.098 176.870 0.006 0.000 1.114 309 L CA 1.747 56.590 54.840 0.004 0.000 0.777 309 L CB -0.491 41.570 42.059 0.004 0.000 0.910 309 L HN 0.551 nan 8.230 nan 0.000 0.440 310 S N -1.929 113.775 115.700 0.007 0.000 2.539 310 S HA 0.086 4.555 4.470 -0.001 0.000 0.221 310 S C 0.876 175.482 174.600 0.010 0.000 0.987 310 S CA -0.213 57.993 58.200 0.009 0.000 0.929 310 S CB -0.101 63.107 63.200 0.013 0.000 0.832 310 S HN 0.350 nan 8.310 nan 0.000 0.492 311 S N 1.602 117.307 115.700 0.008 0.000 2.600 311 S HA 0.316 4.785 4.470 -0.001 0.000 0.265 311 S C 0.105 174.711 174.600 0.010 0.000 1.325 311 S CA -0.480 57.725 58.200 0.009 0.000 1.002 311 S CB 0.044 63.249 63.200 0.008 0.000 0.921 311 S HN 0.356 nan 8.310 nan 0.000 0.554 312 N N 0.360 119.066 118.700 0.010 0.000 2.378 312 N HA 0.345 5.085 4.740 -0.001 0.000 0.243 312 N C -0.575 174.940 175.510 0.009 0.000 1.137 312 N CA -0.071 52.984 53.050 0.009 0.000 0.862 312 N CB -0.336 38.157 38.487 0.010 0.000 1.116 312 N HN 0.480 nan 8.380 nan 0.000 0.499 313 L N -0.672 120.557 121.223 0.009 0.000 2.468 313 L HA 0.421 4.760 4.340 -0.001 0.000 0.254 313 L C 1.453 178.327 176.870 0.007 0.000 1.171 313 L CA -0.814 54.031 54.840 0.008 0.000 0.809 313 L CB 0.409 42.473 42.059 0.009 0.000 1.155 313 L HN 0.151 nan 8.230 nan 0.000 0.473 314 G N -0.378 108.425 108.800 0.005 0.000 2.599 314 G HA2 0.107 4.066 3.960 -0.001 0.000 0.264 314 G HA3 0.107 4.066 3.960 -0.001 0.000 0.264 314 G C 0.441 175.344 174.900 0.006 0.000 1.200 314 G CA -0.244 44.859 45.100 0.005 0.000 0.896 314 G HN 0.747 nan 8.290 nan 0.000 0.536 315 E N -0.062 120.141 120.200 0.006 0.000 2.051 315 E HA -0.155 4.195 4.350 -0.001 0.000 0.192 315 E C 2.710 179.314 176.600 0.008 0.000 0.991 315 E CA 1.570 57.974 56.400 0.006 0.000 0.799 315 E CB -0.221 29.482 29.700 0.005 0.000 0.748 315 E HN 0.441 nan 8.360 nan 0.000 0.449 316 S N -0.283 115.421 115.700 0.007 0.000 2.380 316 S HA -0.321 4.148 4.470 -0.001 0.000 0.229 316 S C 2.101 176.708 174.600 0.011 0.000 1.050 316 S CA 2.162 60.367 58.200 0.008 0.000 1.100 316 S CB -0.656 62.547 63.200 0.005 0.000 0.984 316 S HN 0.398 nan 8.310 nan 0.000 0.434 317 A N 1.104 123.930 122.820 0.010 0.000 1.902 317 A HA -0.061 4.259 4.320 -0.001 0.000 0.217 317 A C 2.192 179.786 177.584 0.016 0.000 1.181 317 A CA 1.681 53.725 52.037 0.012 0.000 0.623 317 A CB -0.626 18.378 19.000 0.008 0.000 0.818 317 A HN 0.684 nan 8.150 nan 0.000 0.443 318 K N -0.347 120.061 120.400 0.014 0.000 2.057 318 K HA -0.153 4.166 4.320 -0.001 0.000 0.207 318 K C 1.446 178.057 176.600 0.018 0.000 1.049 318 K CA 1.462 57.757 56.287 0.014 0.000 0.931 318 K CB -0.246 32.260 32.500 0.011 0.000 0.714 318 K HN 0.413 nan 8.250 nan 0.000 0.440 319 D N 0.834 121.245 120.400 0.018 0.000 2.144 319 D HA -0.119 4.521 4.640 -0.001 0.000 0.199 319 D C 1.676 177.995 176.300 0.032 0.000 0.984 319 D CA 1.183 55.195 54.000 0.021 0.000 0.834 319 D CB 0.054 40.865 40.800 0.018 0.000 0.955 319 D HN 0.204 nan 8.370 nan 0.000 0.465 320 K N 0.227 120.648 120.400 0.035 0.000 2.057 320 K HA -0.025 4.295 4.320 -0.001 0.000 0.206 320 K C 2.294 178.930 176.600 0.061 0.000 1.050 320 K CA 0.652 56.970 56.287 0.051 0.000 0.935 320 K CB 0.067 32.597 32.500 0.049 0.000 0.715 320 K HN 0.149 nan 8.250 nan 0.000 0.439 321 I N 1.308 121.907 120.570 0.048 0.000 2.286 321 I HA -0.203 3.966 4.170 -0.001 0.000 0.245 321 I C 2.323 178.467 176.117 0.045 0.000 1.104 321 I CA 1.001 62.331 61.300 0.050 0.000 1.397 321 I CB -0.212 37.809 38.000 0.035 0.000 1.072 321 I HN 0.178 nan 8.210 nan 0.000 0.417 322 I N -3.447 117.143 120.570 0.034 0.000 3.059 322 I HA -0.023 4.146 4.170 -0.001 0.000 0.270 322 I C 1.913 178.049 176.117 0.032 0.000 1.238 322 I CA 1.006 62.322 61.300 0.026 0.000 1.478 322 I CB 0.277 38.286 38.000 0.015 0.000 1.097 322 I HN 0.094 nan 8.210 nan 0.000 0.455 323 S N 0.255 115.981 115.700 0.043 0.000 4.428 323 S HA 0.270 4.740 4.470 -0.001 0.000 0.199 323 S C 1.784 176.423 174.600 0.065 0.000 1.156 323 S CA 0.428 58.656 58.200 0.046 0.000 1.134 323 S CB -0.753 62.466 63.200 0.032 0.000 1.531 323 S HN 0.420 nan 8.310 nan 0.000 0.551 324 G N 2.874 111.711 108.800 0.063 0.000 2.459 324 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.217 324 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.217 324 G C 1.319 176.279 174.900 0.100 0.000 1.183 324 G CA 1.335 46.477 45.100 0.071 0.000 0.776 324 G HN 0.543 nan 8.290 nan 0.000 0.552 325 N N 1.286 120.058 118.700 0.121 0.000 2.142 325 N HA -0.054 4.685 4.740 -0.001 0.000 0.186 325 N C 2.480 178.090 175.510 0.167 0.000 1.023 325 N CA 1.334 54.488 53.050 0.174 0.000 0.852 325 N CB -0.546 38.073 38.487 0.220 0.000 0.998 325 N HN 0.327 nan 8.380 nan 0.000 0.424 326 A N 0.565 123.482 122.820 0.161 0.000 1.929 326 A HA -0.096 4.224 4.320 -0.001 0.000 0.216 326 A C 2.440 180.210 177.584 0.309 0.000 1.176 326 A CA 1.739 53.935 52.037 0.265 0.000 0.628 326 A CB -0.830 18.336 19.000 0.276 0.000 0.816 326 A HN 0.331 nan 8.150 nan 0.000 0.444 327 S N -0.409 115.403 115.700 0.187 0.000 2.365 327 S HA -0.261 4.208 4.470 -0.001 0.000 0.225 327 S C 2.102 176.776 174.600 0.124 0.000 1.039 327 S CA 2.133 60.417 58.200 0.141 0.000 1.033 327 S CB -0.305 62.949 63.200 0.089 0.000 0.887 327 S HN 0.592 nan 8.310 nan 0.000 0.447 328 K N -0.852 119.612 120.400 0.107 0.000 2.007 328 K HA 0.000 4.320 4.320 -0.001 0.000 0.206 328 K C 1.952 178.557 176.600 0.008 0.000 1.047 328 K CA 1.341 57.665 56.287 0.062 0.000 0.937 328 K CB -0.460 32.086 32.500 0.077 0.000 0.718 328 K HN 0.442 nan 8.250 nan 0.000 0.438 329 F N 0.515 120.350 119.950 -0.191 0.000 2.087 329 F HA -0.242 4.284 4.527 -0.001 0.000 0.299 329 F C 1.446 176.939 175.800 -0.511 0.000 1.100 329 F CA 1.774 59.478 58.000 -0.494 0.000 1.226 329 F CB -0.111 38.416 39.000 -0.789 0.000 0.983 329 F HN -0.011 nan 8.300 nan 0.000 0.479 330 F N -0.529 119.507 119.950 0.143 0.000 2.727 330 F HA 0.161 4.688 4.527 -0.001 0.000 0.302 330 F C 1.056 176.855 175.800 -0.003 0.000 1.097 330 F CA 0.357 58.399 58.000 0.070 0.000 1.330 330 F CB -0.467 38.610 39.000 0.129 0.000 1.084 330 F HN -0.028 nan 8.300 nan 0.000 0.578 331 N N 1.468 120.237 118.700 0.116 0.000 2.735 331 N HA -0.245 4.494 4.740 -0.001 0.000 0.248 331 N C -0.458 175.101 175.510 0.082 0.000 1.083 331 N CA 0.231 53.319 53.050 0.063 0.000 0.703 331 N CB -1.460 37.033 38.487 0.011 0.000 1.005 331 N HN 0.316 nan 8.380 nan 0.000 0.550 332 I N 0.551 121.192 120.570 0.118 0.000 2.389 332 I HA -0.001 4.169 4.170 -0.001 0.000 0.295 332 I C 0.972 177.119 176.117 0.050 0.000 1.117 332 I CA -0.350 60.995 61.300 0.074 0.000 1.317 332 I CB 0.054 38.099 38.000 0.075 0.000 1.431 332 I HN 0.197 nan 8.210 nan 0.000 0.521 333 N N 6.717 125.435 118.700 0.030 0.000 2.598 333 N HA 0.056 4.796 4.740 -0.001 0.000 0.300 333 N C 0.186 175.707 175.510 0.017 0.000 1.224 333 N CA 0.295 53.358 53.050 0.021 0.000 1.125 333 N CB -0.119 38.374 38.487 0.011 0.000 1.468 333 N HN 0.384 nan 8.380 nan 0.000 0.504 334 V N 0.000 119.929 119.914 0.025 0.000 2.409 334 V HA 0.000 4.119 4.120 -0.001 0.000 0.244 334 V CA 0.000 62.313 62.300 0.022 0.000 1.235 334 V CB 0.000 31.834 31.823 0.017 0.000 1.184 334 V HN 0.000 nan 8.190 nan 0.000 0.556