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 1ek4_1_B DATA FIRST_RESID 1 DATA SEQUENCE MKRVVITGLG IVSSIGNNQQ EVLASLREGR SGITFSQELK DSGMRSHVWG DATA SEQUENCE NVKLDTTGLI DRKVVRFMSD ASIYAFLSME QAIADAGLSP EAYQNNPRVG DATA SEQUENCE LIAGSGGGSP RFQVFGADAM RGPRGLKAVG PYVVTKAMAS GVSACLATPF DATA SEQUENCE KIHGVNYSIS SASATSAHCI GNAVEQIQLG KQDIVFAGGG EELCWEMACE DATA SEQUENCE FDAMGALSTK YNDTPEKASR TYDAHRDGFV IAGGGGMVVV EELEHALARG DATA SEQUENCE AHIYAEIVGY GATSDGADMV APSGEGAVRC MKMAMHGVDT PIDYLNSHGT DATA SEQUENCE STPVGDVKEL AAIREVFGDK SPAISATKAM TGHSLGAAGV QEAIYSLLML DATA SEQUENCE EHGFIAPSIN IEELDEQAAG LNIVTETTDR ELTTVMSNSF GFGGTNATLV DATA SEQUENCE MRKLKD 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.307 176.300 0.012 0.000 1.140 1 M CA 0.000 55.309 55.300 0.015 0.000 0.988 1 M CB 0.000 32.607 32.600 0.012 0.000 1.302 2 K N 1.906 122.312 120.400 0.009 0.000 2.258 2 K HA 0.414 4.734 4.320 -0.000 0.000 0.264 2 K C -0.436 176.166 176.600 0.004 0.000 1.007 2 K CA 0.186 56.476 56.287 0.005 0.000 0.941 2 K CB 0.484 32.984 32.500 -0.000 0.000 0.966 2 K HN 0.225 nan 8.250 nan 0.000 0.480 3 R N 0.599 121.100 120.500 0.001 0.000 2.457 3 R HA 0.491 4.831 4.340 -0.000 0.000 0.284 3 R C -0.772 175.521 176.300 -0.011 0.000 1.024 3 R CA -0.835 55.265 56.100 -0.001 0.000 1.025 3 R CB 1.113 31.413 30.300 -0.001 0.000 1.063 3 R HN 0.208 nan 8.270 nan 0.000 0.493 4 V N 3.100 123.005 119.914 -0.016 0.000 2.588 4 V HA 0.461 4.581 4.120 -0.000 0.000 0.304 4 V C -0.157 175.917 176.094 -0.034 0.000 1.042 4 V CA -0.762 61.519 62.300 -0.032 0.000 0.877 4 V CB 1.700 33.498 31.823 -0.041 0.000 0.996 4 V HN 0.627 nan 8.190 nan 0.000 0.425 5 V N 2.180 122.069 119.914 -0.042 0.000 3.126 5 V HA 0.703 4.823 4.120 -0.000 0.000 0.314 5 V C -0.662 175.407 176.094 -0.042 0.000 1.138 5 V CA -0.993 61.285 62.300 -0.036 0.000 1.034 5 V CB 2.399 34.202 31.823 -0.034 0.000 1.075 5 V HN 0.655 nan 8.190 nan 0.000 0.442 6 I N 1.970 122.532 120.570 -0.013 0.000 2.339 6 I HA 0.466 4.636 4.170 -0.000 0.000 0.290 6 I C 0.857 177.037 176.117 0.105 0.000 0.994 6 I CA -0.061 61.243 61.300 0.007 0.000 1.191 6 I CB 2.133 40.128 38.000 -0.009 0.000 1.343 6 I HN 0.982 nan 8.210 nan 0.000 0.458 7 T N 0.611 115.217 114.554 0.086 0.000 3.084 7 T HA 0.467 4.816 4.350 -0.000 0.000 0.270 7 T C 0.339 175.181 174.700 0.237 0.000 1.008 7 T CA -0.415 61.763 62.100 0.131 0.000 0.900 7 T CB 0.457 69.343 68.868 0.030 0.000 1.084 7 T HN 0.757 nan 8.240 nan 0.000 0.538 8 G N 1.365 110.309 108.800 0.240 0.000 2.616 8 G HA2 0.548 4.508 3.960 -0.000 0.000 0.294 8 G HA3 0.548 4.508 3.960 -0.000 0.000 0.294 8 G C -2.075 172.849 174.900 0.039 0.000 1.489 8 G CA -0.914 44.318 45.100 0.220 0.000 0.836 8 G HN 0.659 nan 8.290 nan 0.000 0.527 9 L N -1.219 120.005 121.223 0.001 0.000 2.469 9 L HA 1.064 5.404 4.340 -0.000 0.000 0.256 9 L C -0.031 176.806 176.870 -0.054 0.000 1.006 9 L CA -0.868 53.912 54.840 -0.100 0.000 0.832 9 L CB 1.823 43.729 42.059 -0.256 0.000 1.421 9 L HN 1.303 nan 8.230 nan 0.000 0.410 10 G N 0.652 109.410 108.800 -0.070 0.000 2.706 10 G HA2 0.775 4.735 3.960 -0.000 0.000 0.297 10 G HA3 0.775 4.735 3.960 -0.000 0.000 0.297 10 G C -2.059 172.807 174.900 -0.057 0.000 1.403 10 G CA -0.643 44.427 45.100 -0.049 0.000 0.954 10 G HN 1.042 nan 8.290 nan 0.000 0.500 11 I N 0.634 121.183 120.570 -0.035 0.000 2.785 11 I HA 0.563 4.733 4.170 -0.000 0.000 0.293 11 I C -1.605 174.497 176.117 -0.024 0.000 1.446 11 I CA -0.887 60.388 61.300 -0.041 0.000 1.028 11 I CB 2.255 40.224 38.000 -0.051 0.000 1.349 11 I HN 0.366 nan 8.210 nan 0.000 0.438 12 V N 6.505 126.390 119.914 -0.048 0.000 2.419 12 V HA 0.616 4.736 4.120 -0.000 0.000 0.287 12 V C -0.242 175.759 176.094 -0.154 0.000 1.017 12 V CA -0.172 62.078 62.300 -0.084 0.000 0.844 12 V CB 1.327 33.103 31.823 -0.078 0.000 1.011 12 V HN 0.831 nan 8.190 nan 0.000 0.429 13 S N 2.374 118.010 115.700 -0.107 0.000 2.732 13 S HA 0.455 4.925 4.470 -0.000 0.000 0.293 13 S C 1.137 175.678 174.600 -0.098 0.000 1.159 13 S CA 0.096 58.237 58.200 -0.098 0.000 0.847 13 S CB 1.712 64.935 63.200 0.038 0.000 1.169 13 S HN 0.873 nan 8.310 nan 0.000 0.501 14 S N 0.420 116.070 115.700 -0.083 0.000 2.442 14 S HA -0.079 4.391 4.470 -0.000 0.000 0.236 14 S C 1.437 176.010 174.600 -0.044 0.000 1.007 14 S CA 1.079 59.233 58.200 -0.076 0.000 0.965 14 S CB -1.145 62.022 63.200 -0.057 0.000 0.773 14 S HN 1.027 nan 8.310 nan 0.000 0.504 15 I N -2.357 118.194 120.570 -0.032 0.000 3.914 15 I HA 0.679 4.849 4.170 -0.000 0.000 0.333 15 I C 0.541 176.642 176.117 -0.026 0.000 1.449 15 I CA -0.417 60.860 61.300 -0.039 0.000 1.135 15 I CB 0.096 38.047 38.000 -0.083 0.000 1.073 15 I HN 0.297 nan 8.210 nan 0.000 0.401 16 G N 1.150 109.940 108.800 -0.017 0.000 2.368 16 G HA2 0.021 3.981 3.960 -0.000 0.000 0.301 16 G HA3 0.021 3.981 3.960 -0.000 0.000 0.301 16 G C -0.825 174.069 174.900 -0.010 0.000 1.640 16 G CA -0.660 44.434 45.100 -0.009 0.000 0.941 16 G HN 0.025 nan 8.290 nan 0.000 0.695 17 N N 0.544 119.239 118.700 -0.008 0.000 2.270 17 N HA 0.099 4.839 4.740 -0.000 0.000 0.198 17 N C 0.527 176.041 175.510 0.007 0.000 1.117 17 N CA 0.589 53.635 53.050 -0.006 0.000 0.845 17 N CB 0.148 38.635 38.487 0.001 0.000 0.980 17 N HN 0.850 nan 8.380 nan 0.000 0.486 18 N N -1.253 117.454 118.700 0.012 0.000 3.116 18 N HA -0.019 4.721 4.740 -0.000 0.000 0.244 18 N C 0.251 175.777 175.510 0.027 0.000 1.485 18 N CA -0.482 52.579 53.050 0.018 0.000 0.884 18 N CB 0.908 39.406 38.487 0.019 0.000 1.415 18 N HN -0.183 nan 8.380 nan 0.000 0.524 19 Q N -0.316 119.504 119.800 0.034 0.000 2.224 19 Q HA -0.152 4.188 4.340 -0.000 0.000 0.203 19 Q C 0.959 176.982 176.000 0.038 0.000 0.970 19 Q CA 1.621 57.454 55.803 0.051 0.000 0.865 19 Q CB -0.195 28.583 28.738 0.067 0.000 0.922 19 Q HN 0.520 nan 8.270 nan 0.000 0.445 20 Q N 1.316 121.128 119.800 0.020 0.000 2.079 20 Q HA -0.106 4.234 4.340 -0.000 0.000 0.200 20 Q C 1.769 177.756 176.000 -0.023 0.000 0.974 20 Q CA 1.938 57.736 55.803 -0.008 0.000 0.840 20 Q CB 0.011 28.745 28.738 -0.006 0.000 0.898 20 Q HN 0.578 nan 8.270 nan 0.000 0.430 21 E N -0.422 119.772 120.200 -0.009 0.000 2.072 21 E HA -0.126 4.224 4.350 -0.000 0.000 0.191 21 E C 1.987 178.577 176.600 -0.018 0.000 0.985 21 E CA 1.234 57.624 56.400 -0.017 0.000 0.801 21 E CB -0.013 29.682 29.700 -0.009 0.000 0.750 21 E HN 0.111 nan 8.360 nan 0.000 0.452 22 V N 1.590 121.509 119.914 0.009 0.000 2.343 22 V HA -0.240 3.880 4.120 -0.000 0.000 0.247 22 V C 2.324 178.423 176.094 0.008 0.000 1.051 22 V CA 1.366 63.682 62.300 0.027 0.000 1.036 22 V CB -0.380 31.515 31.823 0.119 0.000 0.654 22 V HN 0.222 nan 8.190 nan 0.000 0.451 23 L N 0.966 122.194 121.223 0.009 0.000 2.012 23 L HA -0.125 4.215 4.340 -0.000 0.000 0.210 23 L C 2.459 179.261 176.870 -0.114 0.000 1.073 23 L CA 2.464 57.290 54.840 -0.023 0.000 0.748 23 L CB -1.030 40.962 42.059 -0.113 0.000 0.891 23 L HN 0.226 nan 8.230 nan 0.000 0.431 24 A N -1.418 121.334 122.820 -0.113 0.000 1.883 24 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 24 A C 2.402 179.915 177.584 -0.119 0.000 1.186 24 A CA 2.176 54.136 52.037 -0.128 0.000 0.624 24 A CB -1.097 17.848 19.000 -0.091 0.000 0.822 24 A HN 0.543 nan 8.150 nan 0.000 0.444 25 S N -0.178 115.469 115.700 -0.088 0.000 2.368 25 S HA -0.100 4.370 4.470 -0.000 0.000 0.225 25 S C 1.836 176.378 174.600 -0.097 0.000 1.030 25 S CA 1.466 59.614 58.200 -0.086 0.000 0.999 25 S CB -0.485 62.666 63.200 -0.082 0.000 0.844 25 S HN 0.498 nan 8.310 nan 0.000 0.459 26 L N 0.770 121.941 121.223 -0.087 0.000 2.046 26 L HA -0.108 4.232 4.340 -0.000 0.000 0.208 26 L C 2.712 179.560 176.870 -0.036 0.000 1.077 26 L CA 1.311 56.137 54.840 -0.023 0.000 0.747 26 L CB -0.412 41.732 42.059 0.141 0.000 0.896 26 L HN 0.215 nan 8.230 nan 0.000 0.432 27 R N -0.102 120.262 120.500 -0.227 0.000 2.115 27 R HA -0.119 4.221 4.340 -0.000 0.000 0.230 27 R C 1.817 178.005 176.300 -0.187 0.000 1.111 27 R CA 1.046 56.925 56.100 -0.369 0.000 0.976 27 R CB -0.024 29.954 30.300 -0.536 0.000 0.870 27 R HN 0.453 nan 8.270 nan 0.000 0.445 28 E N -0.808 119.311 120.200 -0.135 0.000 2.474 28 E HA 0.078 4.428 4.350 -0.000 0.000 0.194 28 E C 0.539 177.102 176.600 -0.061 0.000 1.041 28 E CA 0.277 56.622 56.400 -0.091 0.000 0.874 28 E CB 0.707 30.358 29.700 -0.082 0.000 0.914 28 E HN 0.433 nan 8.360 nan 0.000 0.498 29 G N 2.912 111.679 108.800 -0.056 0.000 2.273 29 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.280 29 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.280 29 G C 0.056 174.931 174.900 -0.041 0.000 1.047 29 G CA 0.434 45.510 45.100 -0.040 0.000 0.869 29 G HN 0.206 nan 8.290 nan 0.000 0.502 30 R N 0.266 120.736 120.500 -0.051 0.000 2.340 30 R HA 0.471 4.811 4.340 -0.000 0.000 0.300 30 R C 0.736 177.012 176.300 -0.040 0.000 1.069 30 R CA 0.266 56.342 56.100 -0.041 0.000 0.984 30 R CB 0.551 30.824 30.300 -0.044 0.000 1.003 30 R HN 0.273 nan 8.270 nan 0.000 0.459 31 S N 1.854 117.541 115.700 -0.022 0.000 2.580 31 S HA 0.273 4.742 4.470 -0.000 0.000 0.274 31 S C 0.852 175.451 174.600 -0.002 0.000 1.329 31 S CA -0.201 57.992 58.200 -0.012 0.000 1.036 31 S CB 1.294 64.497 63.200 0.005 0.000 0.919 31 S HN 0.779 nan 8.310 nan 0.000 0.515 32 G N 3.615 112.416 108.800 0.001 0.000 3.324 32 G HA2 0.238 4.198 3.960 -0.000 0.000 0.251 32 G HA3 0.238 4.198 3.960 -0.000 0.000 0.251 32 G C 0.082 175.011 174.900 0.049 0.000 1.072 32 G CA -0.258 44.848 45.100 0.010 0.000 0.787 32 G HN 0.605 nan 8.290 nan 0.000 0.537 33 I N 2.708 123.322 120.570 0.072 0.000 2.395 33 I HA 0.369 4.539 4.170 -0.000 0.000 0.289 33 I C 0.670 176.888 176.117 0.168 0.000 1.023 33 I CA -0.261 61.118 61.300 0.131 0.000 1.350 33 I CB 0.470 38.540 38.000 0.118 0.000 1.409 33 I HN 0.082 nan 8.210 nan 0.000 0.507 34 T N 2.771 117.480 114.554 0.258 0.000 2.887 34 T HA 0.551 4.901 4.350 -0.000 0.000 0.292 34 T C -0.545 174.314 174.700 0.266 0.000 1.087 34 T CA -0.734 61.526 62.100 0.268 0.000 1.009 34 T CB 1.835 70.874 68.868 0.285 0.000 1.203 34 T HN 0.210 nan 8.240 nan 0.000 0.518 35 F N 1.608 121.613 119.950 0.092 0.000 2.429 35 F HA 0.584 5.111 4.527 -0.000 0.000 0.348 35 F C 0.405 176.128 175.800 -0.128 0.000 1.109 35 F CA -0.295 57.703 58.000 -0.004 0.000 1.232 35 F CB 1.045 40.050 39.000 0.008 0.000 1.157 35 F HN 0.677 nan 8.300 nan 0.000 0.564 36 S N 4.874 119.737 115.700 -1.396 0.000 2.566 36 S HA 0.190 4.660 4.470 -0.000 0.000 0.324 36 S C 0.550 174.308 174.600 -1.403 0.000 1.081 36 S CA -0.654 56.678 58.200 -1.446 0.000 1.105 36 S CB 1.225 63.093 63.200 -2.221 0.000 0.981 36 S HN 0.881 nan 8.310 nan 0.000 0.464 37 Q N 3.426 122.734 119.800 -0.819 0.000 2.167 37 Q HA -0.073 4.267 4.340 -0.000 0.000 0.202 37 Q C 1.742 177.510 176.000 -0.385 0.000 0.970 37 Q CA 2.112 57.664 55.803 -0.418 0.000 0.855 37 Q CB -0.123 28.578 28.738 -0.061 0.000 0.911 37 Q HN 0.909 nan 8.270 nan 0.000 0.438 38 E N -0.482 119.480 120.200 -0.397 0.000 2.031 38 E HA -0.188 4.162 4.350 -0.000 0.000 0.193 38 E C 1.817 178.240 176.600 -0.296 0.000 0.994 38 E CA 1.287 57.542 56.400 -0.242 0.000 0.800 38 E CB -0.187 29.477 29.700 -0.060 0.000 0.752 38 E HN 0.450 nan 8.360 nan 0.000 0.447 39 L N 0.692 121.635 121.223 -0.467 0.000 2.046 39 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 39 L C 2.861 179.560 176.870 -0.286 0.000 1.077 39 L CA 1.536 56.204 54.840 -0.286 0.000 0.747 39 L CB -0.527 41.336 42.059 -0.326 0.000 0.896 39 L HN 0.169 nan 8.230 nan 0.000 0.432 40 K N 0.283 120.385 120.400 -0.496 0.000 2.026 40 K HA -0.201 4.119 4.320 -0.000 0.000 0.208 40 K C 1.664 178.057 176.600 -0.345 0.000 1.048 40 K CA 1.803 57.719 56.287 -0.619 0.000 0.929 40 K CB 0.008 32.063 32.500 -0.741 0.000 0.713 40 K HN 0.204 nan 8.250 nan 0.000 0.439 41 D N 0.252 120.476 120.400 -0.294 0.000 2.218 41 D HA -0.133 4.507 4.640 -0.000 0.000 0.204 41 D C 1.901 178.022 176.300 -0.299 0.000 0.976 41 D CA 1.484 55.339 54.000 -0.242 0.000 0.853 41 D CB -0.163 40.511 40.800 -0.210 0.000 0.939 41 D HN 0.366 nan 8.370 nan 0.000 0.481 42 S N -0.776 114.703 115.700 -0.369 0.000 2.481 42 S HA 0.094 4.564 4.470 -0.000 0.000 0.231 42 S C 1.790 176.214 174.600 -0.293 0.000 0.996 42 S CA 1.068 58.962 58.200 -0.510 0.000 0.942 42 S CB 0.094 62.972 63.200 -0.537 0.000 0.768 42 S HN 0.337 nan 8.310 nan 0.000 0.520 43 G N 0.487 109.183 108.800 -0.173 0.000 2.163 43 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.213 43 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.213 43 G C 0.013 174.915 174.900 0.003 0.000 0.991 43 G CA 0.082 45.134 45.100 -0.080 0.000 0.653 43 G HN 0.483 nan 8.290 nan 0.000 0.518 44 M N -0.580 119.040 119.600 0.033 0.000 2.163 44 M HA 0.431 4.911 4.480 -0.000 0.000 0.305 44 M C 1.843 178.248 176.300 0.175 0.000 1.166 44 M CA 0.057 55.417 55.300 0.100 0.000 1.132 44 M CB 0.518 33.188 32.600 0.117 0.000 1.413 44 M HN 0.135 nan 8.290 nan 0.000 0.478 45 R N -0.527 120.015 120.500 0.071 0.000 2.206 45 R HA 0.127 4.467 4.340 -0.000 0.000 0.198 45 R C 0.378 176.515 176.300 -0.273 0.000 0.986 45 R CA 0.138 56.199 56.100 -0.065 0.000 1.029 45 R CB 0.350 30.618 30.300 -0.054 0.000 0.966 45 R HN 0.556 nan 8.270 nan 0.000 0.487 46 S N 0.391 116.040 115.700 -0.086 0.000 2.452 46 S HA 0.144 4.614 4.470 -0.000 0.000 0.284 46 S C -0.103 174.528 174.600 0.051 0.000 1.171 46 S CA -0.557 57.594 58.200 -0.082 0.000 1.064 46 S CB 0.353 63.546 63.200 -0.011 0.000 0.967 46 S HN 0.339 nan 8.310 nan 0.000 0.484 47 H N 2.827 121.864 119.070 -0.055 0.000 2.512 47 H HA 0.332 4.888 4.556 -0.000 0.000 0.276 47 H C -0.063 175.092 175.328 -0.289 0.000 1.126 47 H CA -0.589 55.337 56.048 -0.203 0.000 1.060 47 H CB 0.577 30.323 29.762 -0.026 0.000 1.646 47 H HN 0.454 nan 8.280 nan 0.000 0.571 48 V N -1.654 118.242 119.914 -0.030 0.000 2.823 48 V HA 0.632 4.752 4.120 -0.000 0.000 0.312 48 V C -1.307 174.875 176.094 0.146 0.000 1.072 48 V CA -0.925 61.387 62.300 0.020 0.000 0.937 48 V CB 2.134 34.039 31.823 0.137 0.000 1.013 48 V HN 0.390 nan 8.190 nan 0.000 0.430 49 W N 1.302 122.626 121.300 0.039 0.000 3.066 49 W HA 0.826 5.486 4.660 -0.000 0.000 0.330 49 W C -0.333 176.210 176.519 0.039 0.000 1.253 49 W CA -1.743 55.627 57.345 0.043 0.000 1.187 49 W CB 0.887 30.368 29.460 0.034 0.000 1.434 49 W HN 1.032 nan 8.180 nan 0.000 0.572 50 G N 2.018 110.928 108.800 0.182 0.000 2.922 50 G HA2 0.396 4.356 3.960 -0.000 0.000 0.335 50 G HA3 0.396 4.356 3.960 -0.000 0.000 0.335 50 G C -0.510 174.265 174.900 -0.208 0.000 1.016 50 G CA -0.814 44.296 45.100 0.017 0.000 1.306 50 G HN 0.624 nan 8.290 nan 0.000 0.465 51 N N 0.117 118.606 118.700 -0.352 0.000 2.515 51 N HA 0.423 5.163 4.740 -0.000 0.000 0.279 51 N C -0.400 174.936 175.510 -0.290 0.000 1.164 51 N CA -0.886 51.837 53.050 -0.545 0.000 0.982 51 N CB 2.065 40.097 38.487 -0.758 0.000 1.170 51 N HN -0.010 nan 8.380 nan 0.000 0.474 52 V N 1.712 121.441 119.914 -0.308 0.000 2.427 52 V HA 0.051 4.171 4.120 -0.000 0.000 0.268 52 V C 0.239 176.260 176.094 -0.123 0.000 1.046 52 V CA -0.441 61.713 62.300 -0.243 0.000 0.970 52 V CB 0.475 32.056 31.823 -0.403 0.000 1.001 52 V HN 0.705 nan 8.190 nan 0.000 0.476 53 K N 6.146 126.502 120.400 -0.074 0.000 2.187 53 K HA 0.451 4.770 4.320 -0.000 0.000 0.242 53 K C -0.824 175.774 176.600 -0.005 0.000 1.179 53 K CA -0.209 56.065 56.287 -0.021 0.000 1.097 53 K CB 0.216 32.713 32.500 -0.006 0.000 1.634 53 K HN 0.470 nan 8.250 nan 0.000 0.335 54 L N 0.547 121.777 121.223 0.011 0.000 2.611 54 L HA 0.278 4.618 4.340 -0.000 0.000 0.260 54 L C -1.773 175.129 176.870 0.054 0.000 0.924 54 L CA -0.468 54.392 54.840 0.032 0.000 0.901 54 L CB 2.191 44.271 42.059 0.035 0.000 1.369 54 L HN 0.156 nan 8.230 nan 0.000 0.415 55 D N 2.064 122.492 120.400 0.046 0.000 2.339 55 D HA 0.266 4.906 4.640 -0.000 0.000 0.241 55 D C 0.993 177.320 176.300 0.045 0.000 1.183 55 D CA 0.480 54.507 54.000 0.044 0.000 0.859 55 D CB 1.465 42.285 40.800 0.033 0.000 1.067 55 D HN 0.695 nan 8.370 nan 0.000 0.484 56 T N -0.031 114.553 114.554 0.050 0.000 3.148 56 T HA 0.017 4.366 4.350 -0.000 0.000 0.253 56 T C 0.803 175.506 174.700 0.004 0.000 1.134 56 T CA -0.227 61.897 62.100 0.040 0.000 1.051 56 T CB -0.442 68.452 68.868 0.043 0.000 0.959 56 T HN 0.258 nan 8.240 nan 0.000 0.525 57 T N 2.476 117.030 114.554 0.000 0.000 2.871 57 T HA 0.394 4.744 4.350 -0.000 0.000 0.296 57 T C 1.547 176.237 174.700 -0.018 0.000 0.998 57 T CA 0.811 62.901 62.100 -0.016 0.000 1.162 57 T CB 0.040 68.903 68.868 -0.009 0.000 0.947 57 T HN 0.728 nan 8.240 nan 0.000 0.536 58 G N 2.640 111.418 108.800 -0.037 0.000 2.189 58 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.267 58 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.267 58 G C 0.822 175.707 174.900 -0.025 0.000 0.975 58 G CA 0.389 45.468 45.100 -0.035 0.000 0.644 58 G HN 0.705 nan 8.290 nan 0.000 0.537 59 L N -0.499 120.713 121.223 -0.018 0.000 2.418 59 L HA 0.374 4.714 4.340 -0.000 0.000 0.218 59 L C 1.225 178.094 176.870 -0.001 0.000 1.125 59 L CA 0.599 55.446 54.840 0.011 0.000 0.835 59 L CB -0.018 42.067 42.059 0.043 0.000 0.953 59 L HN 0.291 nan 8.230 nan 0.000 0.454 60 I N -0.998 119.521 120.570 -0.085 0.000 2.608 60 I HA 0.169 4.339 4.170 -0.000 0.000 0.295 60 I C -0.383 175.627 176.117 -0.178 0.000 1.049 60 I CA -0.951 60.235 61.300 -0.190 0.000 1.063 60 I CB 2.242 39.983 38.000 -0.431 0.000 1.248 60 I HN -0.172 nan 8.210 nan 0.000 0.424 61 D N 3.514 123.815 120.400 -0.165 0.000 2.525 61 D HA -0.014 4.626 4.640 -0.000 0.000 0.235 61 D C 1.287 177.493 176.300 -0.157 0.000 1.137 61 D CA 0.487 54.410 54.000 -0.128 0.000 0.868 61 D CB 0.938 41.677 40.800 -0.102 0.000 1.180 61 D HN 0.399 nan 8.370 nan 0.000 0.465 62 R N 2.628 123.051 120.500 -0.128 0.000 2.096 62 R HA -0.172 4.168 4.340 -0.000 0.000 0.240 62 R C 1.742 177.934 176.300 -0.181 0.000 1.139 62 R CA 1.360 57.369 56.100 -0.152 0.000 0.952 62 R CB -0.195 30.035 30.300 -0.118 0.000 0.854 62 R HN 0.478 nan 8.270 nan 0.000 0.436 63 K N 0.373 120.698 120.400 -0.125 0.000 2.442 63 K HA -0.048 4.272 4.320 -0.000 0.000 0.198 63 K C 1.757 178.336 176.600 -0.035 0.000 1.042 63 K CA 0.783 57.016 56.287 -0.091 0.000 0.958 63 K CB 0.262 32.746 32.500 -0.025 0.000 0.766 63 K HN 0.082 nan 8.250 nan 0.000 0.474 64 V N -0.384 119.473 119.914 -0.095 0.000 2.581 64 V HA -0.079 4.041 4.120 -0.000 0.000 0.240 64 V C 1.821 177.832 176.094 -0.138 0.000 1.054 64 V CA 0.676 62.928 62.300 -0.080 0.000 1.076 64 V CB 0.456 32.150 31.823 -0.216 0.000 0.748 64 V HN 0.038 nan 8.190 nan 0.000 0.474 65 V N 2.453 122.210 119.914 -0.262 0.000 2.970 65 V HA -0.163 3.957 4.120 -0.000 0.000 0.260 65 V C 2.708 178.601 176.094 -0.335 0.000 1.100 65 V CA 1.927 64.049 62.300 -0.297 0.000 1.122 65 V CB -0.636 31.012 31.823 -0.292 0.000 0.721 65 V HN 0.703 nan 8.190 nan 0.000 0.483 66 R N -1.027 119.196 120.500 -0.460 0.000 2.241 66 R HA -0.107 4.233 4.340 -0.000 0.000 0.224 66 R C 1.688 177.445 176.300 -0.906 0.000 1.101 66 R CA 1.941 57.565 56.100 -0.795 0.000 0.995 66 R CB -0.631 28.976 30.300 -1.155 0.000 0.870 66 R HN 0.511 nan 8.270 nan 0.000 0.463 67 F N 0.832 120.531 119.950 -0.418 0.000 2.749 67 F HA 0.352 4.879 4.527 -0.000 0.000 0.300 67 F C 0.829 176.479 175.800 -0.250 0.000 1.103 67 F CA -0.344 57.502 58.000 -0.257 0.000 1.342 67 F CB 0.231 39.148 39.000 -0.137 0.000 1.098 67 F HN -0.120 nan 8.300 nan 0.000 0.586 68 M N -0.210 119.296 119.600 -0.157 0.000 2.478 68 M HA 0.372 4.852 4.480 -0.000 0.000 0.327 68 M C 0.324 176.438 176.300 -0.310 0.000 1.187 68 M CA -0.670 54.517 55.300 -0.189 0.000 1.022 68 M CB 1.677 34.173 32.600 -0.174 0.000 1.629 68 M HN -0.039 nan 8.290 nan 0.000 0.461 69 S N -0.711 114.850 115.700 -0.230 0.000 2.747 69 S HA 0.375 4.845 4.470 -0.000 0.000 0.300 69 S C 0.222 174.740 174.600 -0.138 0.000 1.121 69 S CA -0.833 57.270 58.200 -0.161 0.000 0.995 69 S CB 1.186 64.375 63.200 -0.018 0.000 1.113 69 S HN 0.671 nan 8.310 nan 0.000 0.547 70 D N 1.137 121.460 120.400 -0.129 0.000 2.149 70 D HA -0.065 4.574 4.640 -0.000 0.000 0.198 70 D C 2.180 178.163 176.300 -0.528 0.000 0.990 70 D CA 1.837 55.576 54.000 -0.435 0.000 0.839 70 D CB -0.869 39.669 40.800 -0.436 0.000 0.948 70 D HN 0.681 nan 8.370 nan 0.000 0.460 71 A N 0.486 123.196 122.820 -0.182 0.000 1.883 71 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 71 A C 2.461 180.042 177.584 -0.004 0.000 1.186 71 A CA 2.086 54.111 52.037 -0.020 0.000 0.624 71 A CB -0.645 18.381 19.000 0.043 0.000 0.822 71 A HN 0.189 nan 8.150 nan 0.000 0.444 72 S N -0.416 115.265 115.700 -0.031 0.000 2.383 72 S HA -0.049 4.421 4.470 -0.000 0.000 0.227 72 S C 1.787 176.412 174.600 0.040 0.000 1.026 72 S CA 1.262 59.475 58.200 0.021 0.000 0.981 72 S CB -0.445 62.754 63.200 -0.001 0.000 0.818 72 S HN 0.534 nan 8.310 nan 0.000 0.472 73 I N 0.345 120.861 120.570 -0.091 0.000 2.179 73 I HA -0.200 3.970 4.170 -0.000 0.000 0.242 73 I C 2.007 178.184 176.117 0.099 0.000 1.088 73 I CA 1.291 62.547 61.300 -0.073 0.000 1.357 73 I CB -0.422 37.439 38.000 -0.232 0.000 1.051 73 I HN 0.264 nan 8.210 nan 0.000 0.409 74 Y N 0.893 121.233 120.300 0.067 0.000 2.181 74 Y HA -0.181 4.369 4.550 -0.000 0.000 0.288 74 Y C 2.676 178.616 175.900 0.068 0.000 1.146 74 Y CA 0.766 58.898 58.100 0.054 0.000 1.164 74 Y CB -1.325 37.146 38.460 0.018 0.000 0.982 74 Y HN 0.123 nan 8.280 nan 0.000 0.515 75 A N -0.526 122.432 122.820 0.231 0.000 1.930 75 A HA -0.182 4.137 4.320 -0.000 0.000 0.217 75 A C 2.200 179.870 177.584 0.144 0.000 1.175 75 A CA 1.254 53.377 52.037 0.142 0.000 0.627 75 A CB -1.314 17.752 19.000 0.111 0.000 0.815 75 A HN 0.428 nan 8.150 nan 0.000 0.443 76 F N 0.686 120.683 119.950 0.078 0.000 2.075 76 F HA -0.168 4.359 4.527 -0.000 0.000 0.297 76 F C 1.972 177.845 175.800 0.121 0.000 1.113 76 F CA 1.904 59.982 58.000 0.130 0.000 1.218 76 F CB -0.229 38.832 39.000 0.102 0.000 0.984 76 F HN 0.142 nan 8.300 nan 0.000 0.472 77 L N -0.646 120.787 121.223 0.350 0.000 2.042 77 L HA -0.259 4.080 4.340 -0.000 0.000 0.210 77 L C 2.505 179.412 176.870 0.061 0.000 1.076 77 L CA 1.506 56.478 54.840 0.220 0.000 0.749 77 L CB -1.005 41.188 42.059 0.223 0.000 0.893 77 L HN 0.095 nan 8.230 nan 0.000 0.432 78 S N -0.479 115.248 115.700 0.045 0.000 2.382 78 S HA -0.216 4.254 4.470 -0.000 0.000 0.228 78 S C 1.921 176.458 174.600 -0.105 0.000 1.027 78 S CA 1.549 59.737 58.200 -0.020 0.000 0.991 78 S CB -0.217 62.975 63.200 -0.013 0.000 0.823 78 S HN 0.355 nan 8.310 nan 0.000 0.469 79 M N 1.308 120.789 119.600 -0.198 0.000 2.175 79 M HA -0.084 4.396 4.480 -0.000 0.000 0.264 79 M C 1.974 178.004 176.300 -0.450 0.000 1.063 79 M CA 1.364 56.414 55.300 -0.416 0.000 1.119 79 M CB -0.135 32.035 32.600 -0.715 0.000 1.377 79 M HN 0.237 nan 8.290 nan 0.000 0.415 80 E N -0.124 119.884 120.200 -0.321 0.000 2.085 80 E HA -0.272 4.078 4.350 -0.000 0.000 0.194 80 E C 2.026 178.564 176.600 -0.103 0.000 0.994 80 E CA 1.638 57.937 56.400 -0.168 0.000 0.801 80 E CB -0.199 29.483 29.700 -0.030 0.000 0.743 80 E HN 0.677 nan 8.360 nan 0.000 0.453 81 Q N 0.096 119.854 119.800 -0.071 0.000 2.084 81 Q HA -0.146 4.194 4.340 -0.000 0.000 0.202 81 Q C 2.240 178.219 176.000 -0.034 0.000 0.978 81 Q CA 1.340 57.125 55.803 -0.030 0.000 0.844 81 Q CB -0.171 28.559 28.738 -0.014 0.000 0.898 81 Q HN 0.230 nan 8.270 nan 0.000 0.426 82 A N 0.866 123.644 122.820 -0.069 0.000 1.902 82 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 82 A C 2.032 179.607 177.584 -0.016 0.000 1.181 82 A CA 1.160 53.177 52.037 -0.033 0.000 0.623 82 A CB -0.641 18.338 19.000 -0.035 0.000 0.818 82 A HN 0.308 nan 8.150 nan 0.000 0.443 83 I N -0.315 120.196 120.570 -0.098 0.000 2.179 83 I HA -0.292 3.878 4.170 -0.000 0.000 0.242 83 I C 2.978 179.091 176.117 -0.007 0.000 1.088 83 I CA 1.125 62.370 61.300 -0.093 0.000 1.357 83 I CB -0.335 37.497 38.000 -0.279 0.000 1.051 83 I HN 0.367 nan 8.210 nan 0.000 0.409 84 A N 0.245 123.063 122.820 -0.002 0.000 1.898 84 A HA -0.287 4.033 4.320 -0.000 0.000 0.216 84 A C 1.998 179.606 177.584 0.040 0.000 1.181 84 A CA 2.245 54.300 52.037 0.029 0.000 0.620 84 A CB -0.691 18.325 19.000 0.027 0.000 0.819 84 A HN 0.442 nan 8.150 nan 0.000 0.442 85 D N -0.193 120.235 120.400 0.047 0.000 2.144 85 D HA -0.005 4.635 4.640 -0.000 0.000 0.199 85 D C 1.864 178.221 176.300 0.096 0.000 0.984 85 D CA 1.453 55.501 54.000 0.081 0.000 0.834 85 D CB -0.165 40.705 40.800 0.117 0.000 0.955 85 D HN 0.331 nan 8.370 nan 0.000 0.465 86 A N -0.692 122.179 122.820 0.084 0.000 2.119 86 A HA 0.358 4.678 4.320 -0.000 0.000 0.216 86 A C 1.851 179.475 177.584 0.066 0.000 1.152 86 A CA 1.125 53.210 52.037 0.080 0.000 0.708 86 A CB -0.609 18.420 19.000 0.050 0.000 0.805 86 A HN 0.491 nan 8.150 nan 0.000 0.460 87 G N -1.042 107.795 108.800 0.062 0.000 2.198 87 G HA2 -0.209 3.750 3.960 -0.000 0.000 0.257 87 G HA3 -0.209 3.750 3.960 -0.000 0.000 0.257 87 G C -0.064 174.886 174.900 0.083 0.000 1.042 87 G CA 0.366 45.503 45.100 0.061 0.000 0.791 87 G HN 0.455 nan 8.290 nan 0.000 0.502 88 L N 1.305 122.594 121.223 0.109 0.000 2.312 88 L HA 0.605 4.945 4.340 -0.000 0.000 0.281 88 L C 1.067 178.083 176.870 0.244 0.000 1.070 88 L CA -0.254 54.695 54.840 0.182 0.000 0.805 88 L CB 1.633 43.819 42.059 0.213 0.000 1.174 88 L HN 0.405 nan 8.230 nan 0.000 0.434 89 S N 1.648 117.481 115.700 0.221 0.000 2.651 89 S HA 0.480 4.950 4.470 -0.000 0.000 0.291 89 S C -2.111 172.554 174.600 0.108 0.000 1.141 89 S CA -1.449 56.849 58.200 0.165 0.000 1.027 89 S CB 1.766 65.012 63.200 0.077 0.000 1.043 89 S HN 0.339 nan 8.310 nan 0.000 0.530 90 P HA -0.196 nan 4.420 nan 0.000 0.216 90 P C 1.415 178.496 177.300 -0.366 0.000 1.153 90 P CA 1.387 64.243 63.100 -0.407 0.000 0.858 90 P CB -0.048 31.532 31.700 -0.200 0.000 0.789 91 E N -0.366 119.741 120.200 -0.156 0.000 2.333 91 E HA -0.132 4.218 4.350 -0.000 0.000 0.198 91 E C 1.744 178.298 176.600 -0.077 0.000 1.007 91 E CA 1.509 57.844 56.400 -0.108 0.000 0.845 91 E CB -0.957 28.712 29.700 -0.052 0.000 0.766 91 E HN 0.241 nan 8.360 nan 0.000 0.507 92 A N 1.106 123.905 122.820 -0.036 0.000 1.911 92 A HA -0.019 4.301 4.320 -0.000 0.000 0.212 92 A C 1.951 179.595 177.584 0.101 0.000 1.189 92 A CA 0.889 52.960 52.037 0.057 0.000 0.639 92 A CB -0.549 18.528 19.000 0.128 0.000 0.839 92 A HN 0.406 nan 8.150 nan 0.000 0.449 93 Y N -0.611 119.730 120.300 0.068 0.000 2.509 93 Y HA 0.414 4.964 4.550 -0.000 0.000 0.270 93 Y C 0.827 176.756 175.900 0.048 0.000 1.103 93 Y CA -0.447 57.707 58.100 0.089 0.000 1.278 93 Y CB -0.334 38.239 38.460 0.188 0.000 1.087 93 Y HN 0.216 nan 8.280 nan 0.000 0.542 94 Q N 1.960 121.477 119.800 -0.472 0.000 2.299 94 Q HA 0.157 4.497 4.340 -0.000 0.000 0.246 94 Q C -0.152 175.672 176.000 -0.292 0.000 0.935 94 Q CA -0.323 55.271 55.803 -0.349 0.000 0.887 94 Q CB 0.418 28.884 28.738 -0.455 0.000 1.223 94 Q HN 0.389 nan 8.270 nan 0.000 0.439 95 N N 1.816 120.227 118.700 -0.483 0.000 2.716 95 N HA -0.209 4.531 4.740 -0.000 0.000 0.250 95 N C -1.101 174.178 175.510 -0.384 0.000 1.033 95 N CA 0.732 53.246 53.050 -0.894 0.000 0.727 95 N CB -1.062 37.148 38.487 -0.462 0.000 0.950 95 N HN 0.561 nan 8.380 nan 0.000 0.541 96 N N 0.202 118.791 118.700 -0.185 0.000 2.483 96 N HA 0.324 5.064 4.740 -0.000 0.000 0.267 96 N C -1.976 173.589 175.510 0.092 0.000 0.998 96 N CA -1.951 51.101 53.050 0.002 0.000 0.918 96 N CB 1.591 40.094 38.487 0.026 0.000 1.215 96 N HN -0.184 nan 8.380 nan 0.000 0.500 97 P HA -0.018 nan 4.420 nan 0.000 0.223 97 P C 0.649 177.989 177.300 0.068 0.000 1.144 97 P CA 0.903 64.075 63.100 0.120 0.000 0.783 97 P CB 0.374 32.131 31.700 0.095 0.000 0.771 98 R N -1.024 119.503 120.500 0.044 0.000 2.317 98 R HA 0.194 4.534 4.340 -0.000 0.000 0.208 98 R C -0.066 176.217 176.300 -0.028 0.000 0.914 98 R CA 0.123 56.224 56.100 0.001 0.000 1.060 98 R CB 0.010 30.303 30.300 -0.011 0.000 1.015 98 R HN 0.145 nan 8.270 nan 0.000 0.498 99 V N 0.346 120.272 119.914 0.019 0.000 2.444 99 V HA 0.623 4.743 4.120 -0.000 0.000 0.294 99 V C 0.470 176.605 176.094 0.068 0.000 1.022 99 V CA -0.776 61.538 62.300 0.023 0.000 0.850 99 V CB 1.706 33.600 31.823 0.118 0.000 0.992 99 V HN 0.280 nan 8.190 nan 0.000 0.426 100 G N 3.200 112.010 108.800 0.017 0.000 3.140 100 G HA2 0.848 4.808 3.960 -0.000 0.000 0.271 100 G HA3 0.848 4.808 3.960 -0.000 0.000 0.271 100 G C -1.679 173.255 174.900 0.057 0.000 1.370 100 G CA -0.782 44.331 45.100 0.022 0.000 1.014 100 G HN 0.716 nan 8.290 nan 0.000 0.541 101 L N -0.342 120.867 121.223 -0.023 0.000 2.505 101 L HA 0.685 5.025 4.340 -0.000 0.000 0.266 101 L C -1.589 175.190 176.870 -0.153 0.000 0.954 101 L CA -0.704 54.127 54.840 -0.016 0.000 0.852 101 L CB 1.750 43.825 42.059 0.026 0.000 1.282 101 L HN 0.435 nan 8.230 nan 0.000 0.403 102 I N 5.322 125.808 120.570 -0.139 0.000 2.476 102 I HA 0.751 4.920 4.170 -0.000 0.000 0.281 102 I C -0.485 175.600 176.117 -0.053 0.000 1.040 102 I CA -0.328 60.870 61.300 -0.171 0.000 1.094 102 I CB 1.723 39.603 38.000 -0.200 0.000 1.219 102 I HN 0.685 nan 8.210 nan 0.000 0.450 103 A N 4.298 127.112 122.820 -0.011 0.000 2.547 103 A HA 0.963 5.283 4.320 -0.000 0.000 0.297 103 A C -0.644 176.969 177.584 0.048 0.000 1.056 103 A CA -0.441 51.605 52.037 0.016 0.000 0.688 103 A CB 1.915 20.920 19.000 0.009 0.000 1.282 103 A HN 0.753 nan 8.150 nan 0.000 0.400 104 G N -0.253 108.579 108.800 0.054 0.000 2.788 104 G HA2 0.826 4.786 3.960 -0.000 0.000 0.293 104 G HA3 0.826 4.786 3.960 -0.000 0.000 0.293 104 G C -0.537 174.400 174.900 0.062 0.000 1.392 104 G CA 0.176 45.317 45.100 0.068 0.000 0.810 104 G HN 1.871 nan 8.290 nan 0.000 0.508 105 S N -2.016 113.723 115.700 0.066 0.000 2.632 105 S HA 0.685 5.155 4.470 -0.000 0.000 0.289 105 S C 0.973 175.612 174.600 0.065 0.000 1.115 105 S CA 0.233 58.471 58.200 0.063 0.000 0.889 105 S CB 1.564 64.803 63.200 0.066 0.000 1.116 105 S HN 1.469 nan 8.310 nan 0.000 0.486 106 G N -0.243 108.594 108.800 0.061 0.000 2.453 106 G HA2 0.350 4.310 3.960 -0.000 0.000 0.215 106 G HA3 0.350 4.310 3.960 -0.000 0.000 0.215 106 G C 0.829 175.773 174.900 0.074 0.000 1.147 106 G CA 0.337 45.476 45.100 0.064 0.000 0.802 106 G HN 1.252 nan 8.290 nan 0.000 0.535 107 G N -1.159 107.687 108.800 0.078 0.000 3.695 107 G HA2 0.478 4.438 3.960 -0.000 0.000 0.277 107 G HA3 0.478 4.438 3.960 -0.000 0.000 0.277 107 G C 1.004 175.945 174.900 0.068 0.000 1.001 107 G CA 0.769 45.914 45.100 0.075 0.000 0.837 107 G HN 1.053 nan 8.290 nan 0.000 0.492 108 G N 0.571 109.412 108.800 0.068 0.000 2.602 108 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.310 108 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.310 108 G C 0.454 175.400 174.900 0.076 0.000 1.183 108 G CA 0.797 45.938 45.100 0.068 0.000 0.979 108 G HN 1.489 nan 8.290 nan 0.000 0.545 109 S N 1.428 117.181 115.700 0.089 0.000 2.312 109 S HA 0.640 5.109 4.470 -0.000 0.000 0.173 109 S C -1.362 173.292 174.600 0.091 0.000 1.488 109 S CA 0.072 58.342 58.200 0.118 0.000 1.239 109 S CB 1.702 65.030 63.200 0.213 0.000 1.215 109 S HN 0.272 nan 8.310 nan 0.000 0.438 110 P HA -0.092 nan 4.420 nan 0.000 0.216 110 P C 1.515 178.764 177.300 -0.086 0.000 1.150 110 P CA 0.660 63.743 63.100 -0.028 0.000 0.837 110 P CB 0.140 31.805 31.700 -0.058 0.000 0.786 111 R N -0.861 119.563 120.500 -0.126 0.000 2.083 111 R HA -0.126 4.214 4.340 -0.000 0.000 0.237 111 R C 1.879 178.024 176.300 -0.257 0.000 1.137 111 R CA 1.707 57.647 56.100 -0.267 0.000 0.951 111 R CB -0.956 29.136 30.300 -0.347 0.000 0.851 111 R HN 0.101 nan 8.270 nan 0.000 0.434 112 F N 0.354 120.317 119.950 0.022 0.000 2.456 112 F HA -0.019 4.508 4.527 -0.000 0.000 0.298 112 F C 2.517 178.410 175.800 0.155 0.000 1.104 112 F CA 0.821 58.887 58.000 0.110 0.000 1.435 112 F CB -0.078 38.955 39.000 0.056 0.000 1.078 112 F HN 0.183 nan 8.300 nan 0.000 0.546 113 Q N 0.584 120.503 119.800 0.198 0.000 2.083 113 Q HA -0.103 4.237 4.340 -0.000 0.000 0.198 113 Q C 2.049 178.096 176.000 0.079 0.000 0.969 113 Q CA 1.706 57.587 55.803 0.130 0.000 0.838 113 Q CB -0.564 28.220 28.738 0.076 0.000 0.900 113 Q HN 0.251 nan 8.270 nan 0.000 0.436 114 V N 0.757 120.690 119.914 0.032 0.000 2.427 114 V HA -0.161 3.958 4.120 -0.000 0.000 0.248 114 V C 2.008 178.120 176.094 0.030 0.000 1.051 114 V CA 1.648 63.948 62.300 -0.001 0.000 1.048 114 V CB -0.817 30.960 31.823 -0.077 0.000 0.666 114 V HN 0.447 nan 8.190 nan 0.000 0.456 115 F N 2.265 122.175 119.950 -0.065 0.000 2.095 115 F HA -0.064 4.463 4.527 -0.000 0.000 0.298 115 F C 2.164 177.981 175.800 0.028 0.000 1.104 115 F CA 1.798 59.775 58.000 -0.039 0.000 1.232 115 F CB -0.931 38.016 39.000 -0.089 0.000 0.987 115 F HN 0.130 nan 8.300 nan 0.000 0.475 116 G N -0.176 108.575 108.800 -0.081 0.000 2.421 116 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.216 116 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.216 116 G C 1.832 176.621 174.900 -0.184 0.000 1.171 116 G CA 0.955 45.953 45.100 -0.169 0.000 0.775 116 G HN 0.655 nan 8.290 nan 0.000 0.543 117 A N 1.027 123.792 122.820 -0.093 0.000 1.902 117 A HA -0.057 4.263 4.320 -0.000 0.000 0.217 117 A C 2.114 179.638 177.584 -0.099 0.000 1.181 117 A CA 2.172 54.167 52.037 -0.069 0.000 0.623 117 A CB -0.452 18.532 19.000 -0.026 0.000 0.818 117 A HN 0.282 nan 8.150 nan 0.000 0.443 118 D N 0.016 120.342 120.400 -0.125 0.000 2.117 118 D HA -0.033 4.607 4.640 -0.000 0.000 0.197 118 D C 2.249 178.445 176.300 -0.173 0.000 0.987 118 D CA 1.564 55.497 54.000 -0.112 0.000 0.829 118 D CB -0.451 40.306 40.800 -0.072 0.000 0.961 118 D HN 0.413 nan 8.370 nan 0.000 0.460 119 A N 0.575 123.191 122.820 -0.340 0.000 1.902 119 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 119 A C 2.138 179.611 177.584 -0.184 0.000 1.181 119 A CA 1.717 53.553 52.037 -0.334 0.000 0.623 119 A CB -0.555 18.074 19.000 -0.618 0.000 0.818 119 A HN 0.163 nan 8.150 nan 0.000 0.443 120 M N 0.020 119.522 119.600 -0.163 0.000 2.149 120 M HA -0.098 4.382 4.480 -0.000 0.000 0.261 120 M C 1.838 178.098 176.300 -0.065 0.000 1.064 120 M CA 1.535 56.779 55.300 -0.094 0.000 1.102 120 M CB -0.454 32.102 32.600 -0.073 0.000 1.369 120 M HN 0.372 nan 8.290 nan 0.000 0.408 121 R N -0.125 120.336 120.500 -0.065 0.000 2.307 121 R HA 0.181 4.521 4.340 -0.000 0.000 0.199 121 R C 1.070 177.349 176.300 -0.035 0.000 1.000 121 R CA 0.336 56.412 56.100 -0.041 0.000 1.023 121 R CB -0.445 29.835 30.300 -0.032 0.000 0.908 121 R HN 0.468 nan 8.270 nan 0.000 0.473 122 G N 1.153 109.926 108.800 -0.045 0.000 2.557 122 G HA2 0.133 4.093 3.960 -0.000 0.000 0.292 122 G HA3 0.133 4.093 3.960 -0.000 0.000 0.292 122 G C -1.479 173.407 174.900 -0.024 0.000 1.237 122 G CA -1.031 44.050 45.100 -0.031 0.000 0.978 122 G HN -0.070 nan 8.290 nan 0.000 0.498 123 P HA -0.043 nan 4.420 nan 0.000 0.226 123 P C 1.206 178.499 177.300 -0.012 0.000 1.153 123 P CA 0.658 63.752 63.100 -0.011 0.000 0.777 123 P CB 0.349 32.046 31.700 -0.006 0.000 0.794 124 R N -0.530 119.961 120.500 -0.014 0.000 2.297 124 R HA 0.151 4.490 4.340 -0.000 0.000 0.197 124 R C 1.689 177.977 176.300 -0.020 0.000 0.943 124 R CA 0.612 56.705 56.100 -0.012 0.000 1.038 124 R CB -0.470 29.827 30.300 -0.004 0.000 0.957 124 R HN 0.188 nan 8.270 nan 0.000 0.484 125 G N 2.037 110.819 108.800 -0.030 0.000 2.661 125 G HA2 -0.388 3.572 3.960 -0.000 0.000 0.327 125 G HA3 -0.388 3.572 3.960 -0.000 0.000 0.327 125 G C 0.926 175.802 174.900 -0.039 0.000 1.320 125 G CA 0.589 45.668 45.100 -0.036 0.000 0.997 125 G HN 0.258 nan 8.290 nan 0.000 0.543 126 L N 0.493 121.698 121.223 -0.029 0.000 2.089 126 L HA -0.167 4.173 4.340 -0.000 0.000 0.213 126 L C 3.036 179.895 176.870 -0.020 0.000 1.079 126 L CA 2.408 57.232 54.840 -0.026 0.000 0.758 126 L CB -0.530 41.516 42.059 -0.021 0.000 0.891 126 L HN 0.571 nan 8.230 nan 0.000 0.433 127 K N -0.053 120.338 120.400 -0.014 0.000 2.147 127 K HA -0.132 4.188 4.320 -0.000 0.000 0.205 127 K C 2.157 178.764 176.600 0.011 0.000 1.049 127 K CA 1.357 57.641 56.287 -0.004 0.000 0.936 127 K CB -0.251 32.248 32.500 -0.001 0.000 0.722 127 K HN 0.317 nan 8.250 nan 0.000 0.446 128 A N 0.960 123.779 122.820 -0.001 0.000 2.016 128 A HA -0.029 4.290 4.320 -0.000 0.000 0.217 128 A C 2.304 179.896 177.584 0.014 0.000 1.162 128 A CA 0.728 52.772 52.037 0.011 0.000 0.662 128 A CB -0.271 18.707 19.000 -0.035 0.000 0.812 128 A HN 0.044 nan 8.150 nan 0.000 0.450 129 V N -0.477 119.421 119.914 -0.028 0.000 2.307 129 V HA 0.208 4.328 4.120 -0.000 0.000 0.245 129 V C 1.601 177.786 176.094 0.152 0.000 1.045 129 V CA 1.197 63.493 62.300 -0.007 0.000 1.024 129 V CB -1.827 29.979 31.823 -0.029 0.000 0.651 129 V HN 1.198 nan 8.190 nan 0.000 0.449 130 G N 0.550 109.392 108.800 0.070 0.000 2.746 130 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.685 130 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.685 130 G C -1.724 173.132 174.900 -0.074 0.000 1.350 130 G CA -0.084 45.032 45.100 0.027 0.000 0.837 130 G HN 0.307 nan 8.290 nan 0.000 0.564 131 P HA 0.243 nan 4.420 nan 0.000 0.261 131 P C 0.078 177.107 177.300 -0.452 0.000 1.352 131 P CA 0.585 63.448 63.100 -0.395 0.000 0.891 131 P CB 0.051 31.443 31.700 -0.514 0.000 1.383 132 Y N -1.421 118.870 120.300 -0.015 0.000 2.531 132 Y HA 0.125 4.675 4.550 -0.000 0.000 0.249 132 Y C 2.176 178.055 175.900 -0.034 0.000 1.168 132 Y CA -0.219 57.847 58.100 -0.057 0.000 1.226 132 Y CB -0.284 38.044 38.460 -0.219 0.000 1.177 132 Y HN -0.279 nan 8.280 nan 0.000 0.527 133 V N -1.257 118.744 119.914 0.144 0.000 2.427 133 V HA -0.218 3.902 4.120 -0.000 0.000 0.248 133 V C 2.099 178.259 176.094 0.110 0.000 1.051 133 V CA 1.538 63.927 62.300 0.149 0.000 1.048 133 V CB -0.715 31.248 31.823 0.233 0.000 0.666 133 V HN 0.229 nan 8.190 nan 0.000 0.456 134 V N 1.306 121.281 119.914 0.102 0.000 2.287 134 V HA -0.290 3.830 4.120 -0.000 0.000 0.248 134 V C 2.822 178.966 176.094 0.082 0.000 1.053 134 V CA 2.705 65.057 62.300 0.086 0.000 1.027 134 V CB -1.401 30.465 31.823 0.073 0.000 0.646 134 V HN 0.812 nan 8.190 nan 0.000 0.447 135 T N -2.147 112.474 114.554 0.111 0.000 2.962 135 T HA -0.149 4.200 4.350 -0.000 0.000 0.270 135 T C 1.725 176.450 174.700 0.041 0.000 1.088 135 T CA 1.211 63.367 62.100 0.094 0.000 1.127 135 T CB -0.241 68.730 68.868 0.171 0.000 0.883 135 T HN 0.475 nan 8.240 nan 0.000 0.493 136 K N 1.025 121.421 120.400 -0.007 0.000 2.116 136 K HA 0.323 4.642 4.320 -0.000 0.000 0.203 136 K C 2.533 179.133 176.600 0.001 0.000 1.052 136 K CA 0.992 57.208 56.287 -0.118 0.000 0.952 136 K CB -0.110 32.132 32.500 -0.430 0.000 0.729 136 K HN 0.425 nan 8.250 nan 0.000 0.446 137 A N 1.580 124.438 122.820 0.064 0.000 2.169 137 A HA 0.124 4.444 4.320 -0.000 0.000 0.210 137 A C 1.096 178.725 177.584 0.076 0.000 1.168 137 A CA -0.259 51.840 52.037 0.103 0.000 0.813 137 A CB -0.303 18.780 19.000 0.139 0.000 0.861 137 A HN 0.291 nan 8.150 nan 0.000 0.481 138 M N -1.542 118.095 119.600 0.062 0.000 2.252 138 M HA 0.495 4.974 4.480 -0.000 0.000 0.333 138 M C 0.981 177.313 176.300 0.053 0.000 1.111 138 M CA 0.408 55.740 55.300 0.054 0.000 1.140 138 M CB 0.512 33.141 32.600 0.048 0.000 1.538 138 M HN 0.054 nan 8.290 nan 0.000 0.448 139 A N 2.299 125.150 122.820 0.052 0.000 1.986 139 A HA -0.136 4.184 4.320 -0.000 0.000 0.220 139 A C 2.058 179.678 177.584 0.059 0.000 1.171 139 A CA 2.164 54.234 52.037 0.055 0.000 0.640 139 A CB -1.026 18.005 19.000 0.051 0.000 0.811 139 A HN 1.021 nan 8.150 nan 0.000 0.451 140 S N -0.809 114.925 115.700 0.058 0.000 2.634 140 S HA 0.301 4.771 4.470 -0.000 0.000 0.221 140 S C 1.633 176.267 174.600 0.055 0.000 0.952 140 S CA 0.582 58.821 58.200 0.065 0.000 0.930 140 S CB -0.391 62.851 63.200 0.070 0.000 0.780 140 S HN 0.619 nan 8.310 nan 0.000 0.498 141 G N 2.303 111.132 108.800 0.049 0.000 2.513 141 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.219 141 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.219 141 G C 1.312 176.238 174.900 0.043 0.000 1.160 141 G CA 1.288 46.411 45.100 0.039 0.000 0.767 141 G HN 0.488 nan 8.290 nan 0.000 0.571 142 V N 1.734 121.679 119.914 0.052 0.000 2.332 142 V HA -0.228 3.892 4.120 -0.000 0.000 0.248 142 V C 3.265 179.398 176.094 0.065 0.000 1.055 142 V CA 2.549 64.886 62.300 0.061 0.000 1.038 142 V CB -0.534 31.326 31.823 0.061 0.000 0.651 142 V HN 0.656 nan 8.190 nan 0.000 0.450 143 S N 0.652 116.387 115.700 0.058 0.000 2.377 143 S HA -0.013 4.457 4.470 -0.000 0.000 0.223 143 S C 2.148 176.779 174.600 0.052 0.000 1.030 143 S CA 0.999 59.229 58.200 0.050 0.000 0.970 143 S CB -0.465 62.764 63.200 0.048 0.000 0.830 143 S HN 0.534 nan 8.310 nan 0.000 0.473 144 A N 0.974 123.821 122.820 0.045 0.000 1.908 144 A HA -0.088 4.232 4.320 -0.000 0.000 0.218 144 A C 2.364 179.955 177.584 0.012 0.000 1.181 144 A CA 1.634 53.684 52.037 0.023 0.000 0.627 144 A CB -1.528 17.477 19.000 0.008 0.000 0.818 144 A HN 0.703 nan 8.150 nan 0.000 0.445 145 C N -1.255 118.063 119.300 0.030 0.000 2.491 145 C HA 0.185 4.645 4.460 -0.000 0.000 0.277 145 C C 2.212 177.280 174.990 0.131 0.000 1.455 145 C CA 0.625 59.665 59.018 0.036 0.000 1.758 145 C CB -1.285 26.476 27.740 0.035 0.000 1.745 145 C HN 0.529 nan 8.230 nan 0.000 0.558 146 L N 0.272 121.596 121.223 0.169 0.000 2.445 146 L HA 0.281 4.621 4.340 -0.000 0.000 0.207 146 L C 2.613 179.644 176.870 0.269 0.000 1.053 146 L CA 1.505 56.525 54.840 0.301 0.000 0.841 146 L CB -1.160 41.029 42.059 0.217 0.000 1.074 146 L HN 0.138 nan 8.230 nan 0.000 0.479 147 A N -0.852 122.054 122.820 0.142 0.000 1.940 147 A HA -0.192 4.128 4.320 -0.000 0.000 0.219 147 A C 2.275 179.936 177.584 0.128 0.000 1.176 147 A CA 2.438 54.549 52.037 0.124 0.000 0.631 147 A CB -0.940 18.105 19.000 0.075 0.000 0.814 147 A HN 0.417 nan 8.150 nan 0.000 0.446 148 T N 0.393 114.993 114.554 0.076 0.000 2.668 148 T HA -0.060 4.290 4.350 -0.000 0.000 0.262 148 T C -0.070 174.644 174.700 0.024 0.000 1.045 148 T CA 1.589 63.706 62.100 0.028 0.000 1.152 148 T CB -1.071 67.764 68.868 -0.055 0.000 0.864 148 T HN 0.504 nan 8.240 nan 0.000 0.419 149 P HA 0.002 nan 4.420 nan 0.000 0.221 149 P C 0.827 178.037 177.300 -0.149 0.000 1.150 149 P CA 1.049 64.095 63.100 -0.090 0.000 0.800 149 P CB -0.267 31.366 31.700 -0.111 0.000 0.787 150 F N 0.442 120.431 119.950 0.065 0.000 2.773 150 F HA 0.148 4.675 4.527 -0.000 0.000 0.304 150 F C 0.842 176.693 175.800 0.085 0.000 1.129 150 F CA -0.065 57.972 58.000 0.061 0.000 1.378 150 F CB -0.173 38.786 39.000 -0.067 0.000 1.095 150 F HN -0.237 nan 8.300 nan 0.000 0.565 151 K N 0.573 121.074 120.400 0.169 0.000 3.148 151 K HA -0.200 4.120 4.320 -0.000 0.000 0.267 151 K C -0.438 176.231 176.600 0.116 0.000 0.996 151 K CA 0.349 56.696 56.287 0.100 0.000 0.737 151 K CB -2.294 30.197 32.500 -0.015 0.000 1.308 151 K HN 0.195 nan 8.250 nan 0.000 0.470 152 I N 1.105 121.794 120.570 0.198 0.000 2.496 152 I HA 0.045 4.215 4.170 -0.000 0.000 0.285 152 I C 1.944 178.240 176.117 0.298 0.000 1.080 152 I CA 0.244 61.668 61.300 0.207 0.000 1.404 152 I CB 0.423 38.526 38.000 0.172 0.000 1.403 152 I HN 0.256 nan 8.210 nan 0.000 0.539 153 H N 3.191 122.306 119.070 0.076 0.000 2.874 153 H HA 0.180 4.735 4.556 -0.000 0.000 0.264 153 H C 1.324 176.675 175.328 0.038 0.000 1.007 153 H CA -0.010 56.067 56.048 0.048 0.000 1.207 153 H CB 1.412 31.198 29.762 0.040 0.000 1.487 153 H HN 0.771 nan 8.280 nan 0.000 0.505 154 G N 1.074 109.967 108.800 0.154 0.000 2.666 154 G HA2 0.221 4.181 3.960 -0.000 0.000 0.207 154 G HA3 0.221 4.181 3.960 -0.000 0.000 0.207 154 G C 0.169 175.092 174.900 0.039 0.000 1.481 154 G CA 0.053 45.199 45.100 0.077 0.000 1.071 154 G HN 0.124 nan 8.290 nan 0.000 0.572 155 V N -0.781 119.128 119.914 -0.008 0.000 2.872 155 V HA 0.426 4.546 4.120 -0.000 0.000 0.307 155 V C -0.217 175.799 176.094 -0.130 0.000 1.072 155 V CA -0.190 62.071 62.300 -0.065 0.000 1.148 155 V CB 1.116 32.843 31.823 -0.160 0.000 0.954 155 V HN 0.760 nan 8.190 nan 0.000 0.490 156 N N 3.409 122.030 118.700 -0.131 0.000 2.699 156 N HA 0.490 5.230 4.740 -0.000 0.000 0.271 156 N C -1.183 174.337 175.510 0.016 0.000 1.216 156 N CA -0.541 52.454 53.050 -0.092 0.000 0.844 156 N CB 1.079 39.576 38.487 0.017 0.000 1.462 156 N HN 1.029 nan 8.380 nan 0.000 0.555 157 Y N -1.139 119.179 120.300 0.031 0.000 2.779 157 Y HA 0.671 5.221 4.550 -0.000 0.000 0.340 157 Y C -1.297 174.620 175.900 0.028 0.000 1.252 157 Y CA -1.174 56.942 58.100 0.026 0.000 1.072 157 Y CB 0.425 38.897 38.460 0.020 0.000 1.343 157 Y HN 0.098 nan 8.280 nan 0.000 0.450 158 S N 1.395 117.286 115.700 0.319 0.000 2.532 158 S HA 0.721 5.191 4.470 -0.000 0.000 0.301 158 S C -0.920 173.819 174.600 0.232 0.000 1.083 158 S CA -0.755 57.571 58.200 0.210 0.000 1.025 158 S CB 1.254 64.530 63.200 0.126 0.000 1.056 158 S HN 0.519 nan 8.310 nan 0.000 0.494 159 I N 1.811 122.493 120.570 0.186 0.000 2.441 159 I HA 0.475 4.645 4.170 -0.000 0.000 0.295 159 I C -0.121 176.068 176.117 0.119 0.000 0.994 159 I CA -0.320 61.069 61.300 0.148 0.000 1.144 159 I CB 1.986 40.086 38.000 0.167 0.000 1.314 159 I HN 0.470 nan 8.210 nan 0.000 0.445 160 S N 3.074 118.832 115.700 0.095 0.000 2.521 160 S HA 0.648 5.118 4.470 -0.000 0.000 0.295 160 S C -0.347 174.316 174.600 0.106 0.000 1.098 160 S CA -0.406 57.853 58.200 0.097 0.000 0.999 160 S CB 1.229 64.476 63.200 0.078 0.000 1.034 160 S HN 0.690 nan 8.310 nan 0.000 0.483 161 S N 2.426 118.209 115.700 0.139 0.000 2.589 161 S HA 0.597 5.067 4.470 -0.000 0.000 0.210 161 S C 0.498 175.188 174.600 0.151 0.000 0.803 161 S CA 0.063 58.364 58.200 0.168 0.000 1.061 161 S CB -0.307 63.070 63.200 0.295 0.000 1.637 161 S HN 1.927 nan 8.310 nan 0.000 0.462 162 A N 2.209 125.091 122.820 0.104 0.000 5.295 162 A HA -0.268 4.052 4.320 -0.000 0.000 0.313 162 A C 1.675 179.274 177.584 0.025 0.000 1.912 162 A CA 1.424 53.491 52.037 0.050 0.000 0.714 162 A CB -2.202 16.825 19.000 0.044 0.000 1.319 162 A HN 1.447 nan 8.150 nan 0.000 0.375 163 S N 0.316 116.018 115.700 0.003 0.000 2.603 163 S HA 0.346 4.816 4.470 -0.000 0.000 0.229 163 S C 1.466 176.099 174.600 0.054 0.000 0.972 163 S CA 1.365 59.605 58.200 0.067 0.000 0.935 163 S CB -0.192 63.131 63.200 0.205 0.000 0.769 163 S HN 1.737 nan 8.310 nan 0.000 0.536 164 A N 0.636 123.480 122.820 0.040 0.000 2.390 164 A HA 0.255 4.575 4.320 -0.000 0.000 0.232 164 A C 1.837 179.420 177.584 -0.002 0.000 1.233 164 A CA 0.148 52.158 52.037 -0.045 0.000 0.907 164 A CB -0.554 18.412 19.000 -0.058 0.000 0.967 164 A HN 0.315 nan 8.150 nan 0.000 0.512 165 T N 1.558 116.163 114.554 0.086 0.000 2.531 165 T HA -0.269 4.081 4.350 -0.000 0.000 0.261 165 T C 2.262 177.007 174.700 0.076 0.000 1.141 165 T CA 2.762 64.931 62.100 0.115 0.000 1.176 165 T CB -0.521 68.395 68.868 0.081 0.000 0.863 165 T HN 0.812 nan 8.240 nan 0.000 0.424 166 S N 1.479 117.189 115.700 0.016 0.000 2.474 166 S HA 0.176 4.646 4.470 -0.000 0.000 0.235 166 S C 2.232 176.800 174.600 -0.052 0.000 0.997 166 S CA 0.783 58.974 58.200 -0.014 0.000 0.949 166 S CB -0.413 62.764 63.200 -0.038 0.000 0.766 166 S HN 0.563 nan 8.310 nan 0.000 0.517 167 A N 1.733 124.501 122.820 -0.087 0.000 1.898 167 A HA 0.034 4.354 4.320 -0.000 0.000 0.214 167 A C 1.916 179.438 177.584 -0.103 0.000 1.183 167 A CA 1.232 53.188 52.037 -0.136 0.000 0.622 167 A CB -1.009 17.869 19.000 -0.202 0.000 0.824 167 A HN 0.675 nan 8.150 nan 0.000 0.444 168 H N -1.547 117.545 119.070 0.037 0.000 2.423 168 H HA -0.132 4.424 4.556 -0.000 0.000 0.297 168 H C 2.182 177.498 175.328 -0.020 0.000 1.075 168 H CA 1.259 57.351 56.048 0.072 0.000 1.342 168 H CB -0.142 29.692 29.762 0.120 0.000 1.395 168 H HN 0.539 nan 8.280 nan 0.000 0.530 169 C N 0.244 119.598 119.300 0.090 0.000 2.429 169 C HA -0.130 4.330 4.460 -0.000 0.000 0.277 169 C C 2.685 177.631 174.990 -0.073 0.000 1.262 169 C CA 0.750 59.783 59.018 0.026 0.000 1.733 169 C CB -0.782 26.967 27.740 0.015 0.000 2.010 169 C HN 0.529 nan 8.230 nan 0.000 0.483 170 I N 1.073 121.568 120.570 -0.124 0.000 2.226 170 I HA -0.109 4.061 4.170 -0.000 0.000 0.245 170 I C 2.730 178.651 176.117 -0.326 0.000 1.100 170 I CA 1.804 62.990 61.300 -0.190 0.000 1.374 170 I CB -0.964 36.929 38.000 -0.179 0.000 1.057 170 I HN 0.449 nan 8.210 nan 0.000 0.413 171 G N 0.525 108.992 108.800 -0.555 0.000 2.418 171 G HA2 -0.292 3.667 3.960 -0.000 0.000 0.217 171 G HA3 -0.292 3.667 3.960 -0.000 0.000 0.217 171 G C 1.460 175.955 174.900 -0.676 0.000 1.158 171 G CA 0.797 45.106 45.100 -1.319 0.000 0.771 171 G HN 0.394 nan 8.290 nan 0.000 0.545 172 N N 0.944 119.491 118.700 -0.254 0.000 2.188 172 N HA -0.075 4.665 4.740 -0.000 0.000 0.184 172 N C 2.547 178.025 175.510 -0.053 0.000 1.018 172 N CA 1.022 54.059 53.050 -0.023 0.000 0.858 172 N CB -0.101 38.447 38.487 0.101 0.000 0.989 172 N HN 0.254 nan 8.380 nan 0.000 0.426 173 A N 0.879 123.630 122.820 -0.114 0.000 1.877 173 A HA -0.091 4.229 4.320 -0.000 0.000 0.216 173 A C 2.450 179.966 177.584 -0.112 0.000 1.186 173 A CA 1.281 53.246 52.037 -0.118 0.000 0.620 173 A CB -0.860 18.053 19.000 -0.145 0.000 0.822 173 A HN 0.171 nan 8.150 nan 0.000 0.443 174 V N 0.208 120.035 119.914 -0.144 0.000 2.282 174 V HA -0.329 3.791 4.120 -0.000 0.000 0.249 174 V C 2.427 178.496 176.094 -0.042 0.000 1.057 174 V CA 2.474 64.713 62.300 -0.103 0.000 1.032 174 V CB -0.965 30.782 31.823 -0.127 0.000 0.645 174 V HN 0.663 nan 8.190 nan 0.000 0.447 175 E N -0.568 119.623 120.200 -0.015 0.000 2.118 175 E HA -0.255 4.095 4.350 -0.000 0.000 0.195 175 E C 2.384 178.997 176.600 0.021 0.000 0.992 175 E CA 1.195 57.618 56.400 0.039 0.000 0.804 175 E CB -0.181 29.573 29.700 0.090 0.000 0.741 175 E HN 0.559 nan 8.360 nan 0.000 0.458 176 Q N 0.199 120.000 119.800 0.003 0.000 2.124 176 Q HA -0.129 4.211 4.340 -0.000 0.000 0.202 176 Q C 2.244 178.232 176.000 -0.020 0.000 0.977 176 Q CA 1.093 56.895 55.803 -0.002 0.000 0.850 176 Q CB -0.114 28.611 28.738 -0.022 0.000 0.901 176 Q HN 0.439 nan 8.270 nan 0.000 0.429 177 I N 0.412 120.959 120.570 -0.038 0.000 2.333 177 I HA -0.244 3.926 4.170 -0.000 0.000 0.246 177 I C 2.295 178.400 176.117 -0.021 0.000 1.106 177 I CA 0.812 62.085 61.300 -0.045 0.000 1.411 177 I CB -0.214 37.745 38.000 -0.067 0.000 1.082 177 I HN 0.201 nan 8.210 nan 0.000 0.420 178 Q N 0.602 120.398 119.800 -0.007 0.000 2.170 178 Q HA -0.136 4.204 4.340 -0.000 0.000 0.203 178 Q C 2.201 178.207 176.000 0.011 0.000 0.976 178 Q CA 1.213 57.021 55.803 0.007 0.000 0.858 178 Q CB -0.055 28.696 28.738 0.023 0.000 0.907 178 Q HN 0.528 nan 8.270 nan 0.000 0.433 179 L N -0.681 120.549 121.223 0.012 0.000 2.552 179 L HA 0.040 4.379 4.340 -0.000 0.000 0.227 179 L C 1.188 178.063 176.870 0.009 0.000 1.146 179 L CA 0.494 55.343 54.840 0.014 0.000 0.858 179 L CB -0.173 41.899 42.059 0.021 0.000 0.969 179 L HN 0.441 nan 8.230 nan 0.000 0.451 180 G N 0.071 108.872 108.800 0.001 0.000 2.143 180 G HA2 -0.316 3.643 3.960 -0.000 0.000 0.248 180 G HA3 -0.316 3.643 3.960 -0.000 0.000 0.248 180 G C 0.966 175.864 174.900 -0.002 0.000 0.991 180 G CA 0.581 45.680 45.100 -0.001 0.000 0.689 180 G HN 0.396 nan 8.290 nan 0.000 0.522 181 K N -0.897 119.502 120.400 -0.003 0.000 2.262 181 K HA 0.121 4.441 4.320 -0.000 0.000 0.200 181 K C 0.963 177.555 176.600 -0.014 0.000 1.049 181 K CA 0.742 57.029 56.287 -0.000 0.000 0.979 181 K CB 0.109 32.616 32.500 0.012 0.000 0.773 181 K HN 0.435 nan 8.250 nan 0.000 0.474 182 Q N -0.260 119.518 119.800 -0.037 0.000 2.421 182 Q HA 0.157 4.497 4.340 -0.000 0.000 0.280 182 Q C -0.526 175.408 176.000 -0.111 0.000 1.085 182 Q CA -0.364 55.398 55.803 -0.068 0.000 0.807 182 Q CB 1.992 30.682 28.738 -0.080 0.000 1.405 182 Q HN -0.051 nan 8.270 nan 0.000 0.419 183 D N 0.117 120.411 120.400 -0.176 0.000 2.379 183 D HA 0.300 4.940 4.640 -0.000 0.000 0.218 183 D C 0.253 176.325 176.300 -0.379 0.000 1.006 183 D CA 0.728 54.548 54.000 -0.301 0.000 0.893 183 D CB 1.439 41.950 40.800 -0.482 0.000 1.019 183 D HN 0.352 nan 8.370 nan 0.000 0.503 184 I N 0.686 121.055 120.570 -0.335 0.000 2.656 184 I HA 0.278 4.448 4.170 -0.000 0.000 0.292 184 I C -1.262 174.643 176.117 -0.353 0.000 1.144 184 I CA -0.803 60.268 61.300 -0.382 0.000 1.038 184 I CB 3.368 41.100 38.000 -0.447 0.000 1.244 184 I HN -0.415 nan 8.210 nan 0.000 0.420 185 V N 5.632 125.302 119.914 -0.406 0.000 2.612 185 V HA 0.387 4.507 4.120 -0.000 0.000 0.301 185 V C -0.798 175.056 176.094 -0.399 0.000 1.059 185 V CA -0.591 61.520 62.300 -0.315 0.000 0.886 185 V CB 1.848 33.553 31.823 -0.197 0.000 1.007 185 V HN 0.382 nan 8.190 nan 0.000 0.426 186 F N 3.408 123.249 119.950 -0.182 0.000 2.445 186 F HA 0.688 5.215 4.527 -0.000 0.000 0.359 186 F C 0.738 176.434 175.800 -0.173 0.000 1.101 186 F CA -0.016 57.862 58.000 -0.204 0.000 1.177 186 F CB 1.156 39.993 39.000 -0.270 0.000 1.110 186 F HN 0.576 nan 8.300 nan 0.000 0.522 187 A N 2.584 125.387 122.820 -0.028 0.000 2.371 187 A HA 0.933 5.253 4.320 -0.000 0.000 0.311 187 A C -0.024 177.528 177.584 -0.053 0.000 1.068 187 A CA 0.095 52.099 52.037 -0.056 0.000 0.744 187 A CB 1.397 20.338 19.000 -0.099 0.000 1.239 187 A HN 1.003 nan 8.150 nan 0.000 0.435 188 G N -0.132 108.643 108.800 -0.041 0.000 2.498 188 G HA2 0.752 4.711 3.960 -0.000 0.000 0.181 188 G HA3 0.752 4.711 3.960 -0.000 0.000 0.181 188 G C -0.130 174.760 174.900 -0.017 0.000 1.169 188 G CA 0.434 45.508 45.100 -0.043 0.000 0.992 188 G HN 2.322 nan 8.290 nan 0.000 0.490 189 G N -2.186 106.610 108.800 -0.007 0.000 2.320 189 G HA2 0.788 4.748 3.960 -0.000 0.000 0.296 189 G HA3 0.788 4.748 3.960 -0.000 0.000 0.296 189 G C -0.530 174.395 174.900 0.041 0.000 1.306 189 G CA 0.690 45.803 45.100 0.021 0.000 0.836 189 G HN 2.088 nan 8.290 nan 0.000 0.517 190 G N -1.349 107.491 108.800 0.067 0.000 2.660 190 G HA2 0.703 4.663 3.960 -0.000 0.000 0.290 190 G HA3 0.703 4.663 3.960 -0.000 0.000 0.290 190 G C -1.946 173.022 174.900 0.114 0.000 1.432 190 G CA -0.238 44.931 45.100 0.116 0.000 0.807 190 G HN 0.759 nan 8.290 nan 0.000 0.485 191 E N -0.350 119.952 120.200 0.170 0.000 2.347 191 E HA 0.349 4.698 4.350 -0.000 0.000 0.285 191 E C -0.256 176.465 176.600 0.202 0.000 0.925 191 E CA -0.655 55.824 56.400 0.132 0.000 0.779 191 E CB 1.490 31.232 29.700 0.070 0.000 1.233 191 E HN 0.716 nan 8.360 nan 0.000 0.414 192 E N 2.939 123.221 120.200 0.138 0.000 2.369 192 E HA 0.428 4.778 4.350 -0.000 0.000 0.255 192 E C -0.737 175.928 176.600 0.108 0.000 1.172 192 E CA -0.832 55.648 56.400 0.134 0.000 0.932 192 E CB 1.148 30.877 29.700 0.048 0.000 1.040 192 E HN 0.244 nan 8.360 nan 0.000 0.454 193 L N 1.867 123.132 121.223 0.070 0.000 2.372 193 L HA 0.465 4.804 4.340 -0.000 0.000 0.274 193 L C -1.386 175.524 176.870 0.067 0.000 0.988 193 L CA -0.301 54.544 54.840 0.007 0.000 0.833 193 L CB 0.962 42.882 42.059 -0.231 0.000 1.236 193 L HN 0.941 nan 8.230 nan 0.000 0.410 194 C N 2.024 121.429 119.300 0.175 0.000 3.284 194 C HA 0.418 4.878 4.460 -0.000 0.000 0.338 194 C C 1.050 176.154 174.990 0.190 0.000 1.237 194 C CA -0.939 58.188 59.018 0.180 0.000 1.276 194 C CB 0.565 28.272 27.740 -0.055 0.000 1.601 194 C HN 1.062 nan 8.230 nan 0.000 0.494 195 W N 0.951 122.365 121.300 0.190 0.000 2.374 195 W HA 0.008 4.668 4.660 -0.000 0.000 0.288 195 W C 1.040 177.625 176.519 0.110 0.000 1.218 195 W CA 1.873 59.294 57.345 0.127 0.000 1.245 195 W CB -1.045 28.450 29.460 0.058 0.000 1.126 195 W HN 0.883 nan 8.180 nan 0.000 0.545 196 E N 0.766 120.406 120.200 -0.935 0.000 2.130 196 E HA -0.262 4.088 4.350 -0.000 0.000 0.196 196 E C 2.337 178.795 176.600 -0.236 0.000 0.998 196 E CA 2.677 58.546 56.400 -0.885 0.000 0.806 196 E CB -0.630 28.553 29.700 -0.861 0.000 0.738 196 E HN 0.372 nan 8.360 nan 0.000 0.459 197 M N -0.653 118.899 119.600 -0.079 0.000 2.412 197 M HA 0.099 4.579 4.480 -0.000 0.000 0.263 197 M C 2.132 178.573 176.300 0.235 0.000 1.122 197 M CA 1.178 56.524 55.300 0.076 0.000 1.179 197 M CB 0.080 32.758 32.600 0.129 0.000 1.335 197 M HN 0.165 nan 8.290 nan 0.000 0.465 198 A N 0.655 123.655 122.820 0.300 0.000 1.948 198 A HA -0.249 4.071 4.320 -0.000 0.000 0.220 198 A C 2.342 180.129 177.584 0.339 0.000 1.177 198 A CA 1.931 54.205 52.037 0.395 0.000 0.636 198 A CB -1.801 17.400 19.000 0.336 0.000 0.815 198 A HN 0.879 nan 8.150 nan 0.000 0.449 199 C N -0.950 118.520 119.300 0.285 0.000 2.410 199 C HA -0.059 4.401 4.460 -0.000 0.000 0.281 199 C C 2.170 177.252 174.990 0.153 0.000 1.318 199 C CA 1.204 60.364 59.018 0.236 0.000 1.776 199 C CB -1.487 26.437 27.740 0.307 0.000 1.942 199 C HN 0.591 nan 8.230 nan 0.000 0.508 200 E N 0.592 120.843 120.200 0.085 0.000 2.150 200 E HA 0.015 4.365 4.350 -0.000 0.000 0.193 200 E C 1.725 178.279 176.600 -0.077 0.000 0.985 200 E CA 1.251 57.624 56.400 -0.046 0.000 0.814 200 E CB -0.385 29.207 29.700 -0.180 0.000 0.752 200 E HN 0.769 nan 8.360 nan 0.000 0.466 201 F N 0.580 120.595 119.950 0.108 0.000 2.163 201 F HA -0.086 4.441 4.527 -0.000 0.000 0.297 201 F C 2.146 177.961 175.800 0.024 0.000 1.094 201 F CA 1.100 59.155 58.000 0.092 0.000 1.290 201 F CB -0.258 38.784 39.000 0.070 0.000 1.017 201 F HN 0.008 nan 8.300 nan 0.000 0.483 202 D N 0.247 120.769 120.400 0.204 0.000 2.144 202 D HA -0.140 4.499 4.640 -0.000 0.000 0.199 202 D C 2.232 178.579 176.300 0.079 0.000 0.984 202 D CA 1.228 55.291 54.000 0.105 0.000 0.834 202 D CB -0.203 40.658 40.800 0.102 0.000 0.955 202 D HN 0.173 nan 8.370 nan 0.000 0.465 203 A N 0.707 123.575 122.820 0.080 0.000 2.019 203 A HA -0.116 4.204 4.320 -0.000 0.000 0.219 203 A C 2.224 179.835 177.584 0.044 0.000 1.164 203 A CA 1.698 53.767 52.037 0.053 0.000 0.644 203 A CB -0.727 18.299 19.000 0.044 0.000 0.805 203 A HN 0.514 nan 8.150 nan 0.000 0.449 204 M N -2.957 116.680 119.600 0.061 0.000 2.428 204 M HA 0.438 4.918 4.480 -0.000 0.000 0.239 204 M C 1.048 177.387 176.300 0.065 0.000 1.121 204 M CA 0.710 56.045 55.300 0.058 0.000 1.019 204 M CB 0.021 32.664 32.600 0.072 0.000 1.485 204 M HN 0.590 nan 8.290 nan 0.000 0.484 205 G N 0.952 109.788 108.800 0.059 0.000 2.176 205 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.252 205 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.252 205 G C 0.743 175.665 174.900 0.036 0.000 1.024 205 G CA 0.382 45.505 45.100 0.039 0.000 0.755 205 G HN 0.770 nan 8.290 nan 0.000 0.507 206 A N -0.998 121.850 122.820 0.047 0.000 2.081 206 A HA 0.635 4.955 4.320 -0.000 0.000 0.214 206 A C 1.301 178.688 177.584 -0.329 0.000 1.158 206 A CA 0.751 52.778 52.037 -0.016 0.000 0.724 206 A CB 0.135 19.247 19.000 0.188 0.000 0.826 206 A HN 0.660 nan 8.150 nan 0.000 0.463 207 L N -0.020 121.032 121.223 -0.285 0.000 2.379 207 L HA 0.342 4.682 4.340 -0.000 0.000 0.269 207 L C 0.734 177.530 176.870 -0.123 0.000 1.084 207 L CA -0.569 54.073 54.840 -0.329 0.000 0.802 207 L CB 1.486 43.416 42.059 -0.215 0.000 1.175 207 L HN 0.154 nan 8.230 nan 0.000 0.448 208 S N 0.104 115.765 115.700 -0.065 0.000 2.533 208 S HA 0.133 4.602 4.470 -0.000 0.000 0.282 208 S C 0.781 175.392 174.600 0.017 0.000 1.304 208 S CA 0.121 58.345 58.200 0.041 0.000 1.063 208 S CB 0.422 63.696 63.200 0.123 0.000 0.881 208 S HN 0.825 nan 8.310 nan 0.000 0.493 209 T N 1.620 116.173 114.554 -0.002 0.000 2.986 209 T HA 0.325 4.675 4.350 -0.000 0.000 0.264 209 T C 0.988 175.612 174.700 -0.126 0.000 0.964 209 T CA -0.405 61.647 62.100 -0.081 0.000 0.895 209 T CB -0.103 68.709 68.868 -0.094 0.000 1.163 209 T HN 0.593 nan 8.240 nan 0.000 0.517 210 K N 0.292 120.595 120.400 -0.161 0.000 2.459 210 K HA 0.186 4.506 4.320 -0.000 0.000 0.193 210 K C -0.273 175.944 176.600 -0.638 0.000 1.030 210 K CA 0.535 56.568 56.287 -0.424 0.000 1.026 210 K CB 0.075 32.215 32.500 -0.600 0.000 0.809 210 K HN 0.495 nan 8.250 nan 0.000 0.504 211 Y N -0.168 120.129 120.300 -0.006 0.000 2.713 211 Y HA 0.212 4.762 4.550 -0.000 0.000 0.269 211 Y C 0.751 176.670 175.900 0.032 0.000 1.106 211 Y CA -0.693 57.415 58.100 0.013 0.000 1.174 211 Y CB 0.048 38.524 38.460 0.026 0.000 1.186 211 Y HN -0.019 nan 8.280 nan 0.000 0.555 212 N N 0.614 119.370 118.700 0.094 0.000 2.289 212 N HA -0.158 4.582 4.740 -0.000 0.000 0.184 212 N C 0.934 176.540 175.510 0.159 0.000 1.016 212 N CA 1.354 54.494 53.050 0.150 0.000 0.872 212 N CB 0.089 38.637 38.487 0.101 0.000 0.973 212 N HN 0.479 nan 8.380 nan 0.000 0.433 213 D N -0.194 120.256 120.400 0.083 0.000 2.317 213 D HA -0.026 4.614 4.640 -0.000 0.000 0.211 213 D C 0.517 176.852 176.300 0.057 0.000 0.966 213 D CA 0.856 54.877 54.000 0.034 0.000 0.876 213 D CB 0.136 40.938 40.800 0.004 0.000 0.927 213 D HN 0.321 nan 8.370 nan 0.000 0.519 214 T N -1.959 112.663 114.554 0.114 0.000 3.410 214 T HA 0.337 4.687 4.350 -0.000 0.000 0.328 214 T C -2.276 172.505 174.700 0.134 0.000 1.567 214 T CA -1.716 60.451 62.100 0.111 0.000 1.626 214 T CB 1.786 70.727 68.868 0.121 0.000 0.939 214 T HN -0.288 nan 8.240 nan 0.000 0.656 215 P HA -0.196 nan 4.420 nan 0.000 0.218 215 P C 1.331 178.696 177.300 0.108 0.000 1.154 215 P CA 1.428 64.621 63.100 0.156 0.000 0.872 215 P CB 0.120 31.933 31.700 0.188 0.000 0.790 216 E N -0.834 119.412 120.200 0.078 0.000 2.478 216 E HA -0.107 4.243 4.350 -0.000 0.000 0.198 216 E C 1.254 177.855 176.600 0.002 0.000 1.046 216 E CA 0.677 57.102 56.400 0.043 0.000 0.870 216 E CB -0.230 29.491 29.700 0.035 0.000 0.818 216 E HN 0.409 nan 8.360 nan 0.000 0.527 217 K N -0.258 120.134 120.400 -0.015 0.000 2.374 217 K HA 0.231 4.551 4.320 -0.000 0.000 0.202 217 K C 1.594 178.022 176.600 -0.286 0.000 1.040 217 K CA 0.137 56.354 56.287 -0.116 0.000 1.085 217 K CB 0.832 33.273 32.500 -0.097 0.000 0.873 217 K HN -0.026 nan 8.250 nan 0.000 0.539 218 A N 1.201 123.941 122.820 -0.134 0.000 1.873 218 A HA -0.057 4.263 4.320 -0.000 0.000 0.215 218 A C 1.381 178.889 177.584 -0.126 0.000 1.186 218 A CA 1.094 53.061 52.037 -0.117 0.000 0.616 218 A CB -0.123 18.946 19.000 0.116 0.000 0.823 218 A HN 0.161 nan 8.150 nan 0.000 0.442 219 S N 0.623 116.291 115.700 -0.054 0.000 2.405 219 S HA 0.380 4.850 4.470 -0.000 0.000 0.291 219 S C 0.317 174.864 174.600 -0.089 0.000 1.137 219 S CA -0.538 57.640 58.200 -0.035 0.000 1.061 219 S CB -0.248 62.953 63.200 0.001 0.000 1.001 219 S HN 0.488 nan 8.310 nan 0.000 0.507 220 R N 2.680 123.119 120.500 -0.102 0.000 2.638 220 R HA 0.235 4.575 4.340 -0.000 0.000 0.261 220 R C -0.602 175.640 176.300 -0.097 0.000 1.515 220 R CA -0.652 55.386 56.100 -0.103 0.000 1.623 220 R CB -0.687 29.527 30.300 -0.144 0.000 1.347 220 R HN 0.378 nan 8.270 nan 0.000 0.705 221 T N 2.115 116.569 114.554 -0.166 0.000 2.891 221 T HA -0.103 4.247 4.350 -0.000 0.000 0.296 221 T C -0.051 174.463 174.700 -0.311 0.000 1.025 221 T CA 0.994 62.869 62.100 -0.374 0.000 1.149 221 T CB -0.095 68.418 68.868 -0.592 0.000 1.007 221 T HN 0.577 nan 8.240 nan 0.000 0.528 222 Y N -1.279 119.029 120.300 0.013 0.000 4.779 222 Y HA -0.218 4.332 4.550 -0.000 0.000 0.284 222 Y C 0.744 176.647 175.900 0.005 0.000 0.973 222 Y CA 0.546 58.653 58.100 0.011 0.000 1.792 222 Y CB -2.200 36.266 38.460 0.009 0.000 1.120 222 Y HN 0.781 nan 8.280 nan 0.000 0.450 223 D N 0.618 121.079 120.400 0.101 0.000 2.389 223 D HA 0.535 5.175 4.640 -0.000 0.000 0.247 223 D C 1.305 177.626 176.300 0.035 0.000 1.128 223 D CA 0.804 54.848 54.000 0.073 0.000 0.884 223 D CB 1.264 42.094 40.800 0.050 0.000 1.194 223 D HN 0.287 nan 8.370 nan 0.000 0.441 224 A N 3.281 126.086 122.820 -0.025 0.000 2.024 224 A HA -0.197 4.122 4.320 -0.000 0.000 0.220 224 A C 1.083 178.455 177.584 -0.353 0.000 1.164 224 A CA 1.451 53.363 52.037 -0.209 0.000 0.643 224 A CB -0.588 18.210 19.000 -0.337 0.000 0.806 224 A HN 0.794 nan 8.150 nan 0.000 0.451 225 H N -0.489 118.636 119.070 0.092 0.000 2.503 225 H HA 0.216 4.772 4.556 -0.000 0.000 0.296 225 H C 0.409 175.842 175.328 0.175 0.000 1.097 225 H CA -0.384 55.745 56.048 0.135 0.000 1.055 225 H CB 0.024 29.890 29.762 0.173 0.000 1.580 225 H HN 0.595 nan 8.280 nan 0.000 0.546 226 R N 1.137 121.730 120.500 0.155 0.000 2.694 226 R HA 0.065 4.405 4.340 -0.000 0.000 0.268 226 R C -0.430 175.973 176.300 0.170 0.000 1.061 226 R CA 0.093 56.272 56.100 0.131 0.000 1.133 226 R CB 0.566 30.897 30.300 0.052 0.000 1.020 226 R HN 0.240 nan 8.270 nan 0.000 0.475 227 D N 0.095 120.608 120.400 0.188 0.000 2.785 227 D HA 0.226 4.866 4.640 -0.000 0.000 0.324 227 D C 0.069 176.429 176.300 0.100 0.000 1.523 227 D CA 0.001 54.090 54.000 0.148 0.000 0.789 227 D CB 0.479 41.377 40.800 0.163 0.000 1.171 227 D HN 0.905 nan 8.370 nan 0.000 0.447 228 G N 0.387 109.245 108.800 0.097 0.000 2.392 228 G HA2 0.248 4.208 3.960 -0.000 0.000 0.677 228 G HA3 0.248 4.208 3.960 -0.000 0.000 0.677 228 G C -0.630 174.327 174.900 0.095 0.000 1.334 228 G CA -0.696 44.441 45.100 0.061 0.000 0.961 228 G HN 0.288 nan 8.290 nan 0.000 0.616 229 F N -0.566 119.429 119.950 0.075 0.000 2.368 229 F HA 0.815 5.342 4.527 -0.000 0.000 0.315 229 F C 0.265 176.094 175.800 0.048 0.000 1.145 229 F CA -1.513 56.517 58.000 0.050 0.000 1.095 229 F CB 1.156 40.203 39.000 0.079 0.000 1.286 229 F HN 0.395 nan 8.300 nan 0.000 0.530 230 V N 4.022 124.166 119.914 0.384 0.000 2.347 230 V HA 0.254 4.374 4.120 -0.000 0.000 0.280 230 V C 0.252 176.568 176.094 0.369 0.000 1.021 230 V CA -0.865 61.594 62.300 0.265 0.000 0.847 230 V CB 1.008 32.942 31.823 0.184 0.000 0.990 230 V HN 0.852 nan 8.190 nan 0.000 0.444 231 I N 4.705 125.468 120.570 0.322 0.000 2.752 231 I HA 0.470 4.640 4.170 -0.000 0.000 0.287 231 I C 0.523 176.751 176.117 0.185 0.000 1.188 231 I CA 0.577 62.032 61.300 0.257 0.000 1.427 231 I CB 0.792 38.905 38.000 0.188 0.000 1.365 231 I HN 0.802 nan 8.210 nan 0.000 0.585 232 A N 4.927 127.792 122.820 0.075 0.000 2.569 232 A HA 0.894 5.214 4.320 -0.000 0.000 0.290 232 A C -0.592 176.963 177.584 -0.049 0.000 1.136 232 A CA -0.099 51.941 52.037 0.004 0.000 0.710 232 A CB 1.357 20.361 19.000 0.008 0.000 1.303 232 A HN 0.832 nan 8.150 nan 0.000 0.413 233 G N -1.883 106.845 108.800 -0.121 0.000 2.818 233 G HA2 0.927 4.887 3.960 -0.000 0.000 0.286 233 G HA3 0.927 4.887 3.960 -0.000 0.000 0.286 233 G C -0.044 174.718 174.900 -0.230 0.000 1.364 233 G CA -0.248 44.789 45.100 -0.105 0.000 0.938 233 G HN 2.315 nan 8.290 nan 0.000 0.490 234 G N -2.167 106.469 108.800 -0.274 0.000 2.325 234 G HA2 0.615 4.575 3.960 -0.000 0.000 0.285 234 G HA3 0.615 4.575 3.960 -0.000 0.000 0.285 234 G C -0.306 174.527 174.900 -0.112 0.000 1.303 234 G CA 0.222 45.023 45.100 -0.498 0.000 0.970 234 G HN 2.041 nan 8.290 nan 0.000 0.490 235 G N -1.920 106.824 108.800 -0.094 0.000 2.649 235 G HA2 1.012 4.972 3.960 -0.000 0.000 0.290 235 G HA3 1.012 4.972 3.960 -0.000 0.000 0.290 235 G C -0.372 174.507 174.900 -0.035 0.000 1.426 235 G CA 0.436 45.549 45.100 0.021 0.000 0.794 235 G HN 2.183 nan 8.290 nan 0.000 0.483 236 G N -1.291 107.488 108.800 -0.034 0.000 2.667 236 G HA2 0.662 4.622 3.960 -0.000 0.000 0.294 236 G HA3 0.662 4.622 3.960 -0.000 0.000 0.294 236 G C -1.685 173.174 174.900 -0.069 0.000 1.467 236 G CA -0.530 44.525 45.100 -0.075 0.000 0.852 236 G HN 0.953 nan 8.290 nan 0.000 0.521 237 M N 1.032 120.583 119.600 -0.081 0.000 2.413 237 M HA 0.708 5.188 4.480 -0.000 0.000 0.287 237 M C -1.049 175.203 176.300 -0.080 0.000 1.186 237 M CA -0.689 54.568 55.300 -0.072 0.000 0.927 237 M CB 2.431 34.988 32.600 -0.072 0.000 1.715 237 M HN 1.220 nan 8.290 nan 0.000 0.478 238 V N 1.439 121.306 119.914 -0.078 0.000 2.962 238 V HA 0.883 5.003 4.120 -0.000 0.000 0.313 238 V C -1.230 174.803 176.094 -0.102 0.000 1.099 238 V CA -0.925 61.316 62.300 -0.097 0.000 0.971 238 V CB 1.826 33.571 31.823 -0.131 0.000 1.028 238 V HN 0.614 nan 8.190 nan 0.000 0.430 239 V N 3.729 123.570 119.914 -0.122 0.000 2.334 239 V HA 0.356 4.476 4.120 -0.000 0.000 0.267 239 V C 0.176 176.140 176.094 -0.218 0.000 1.040 239 V CA -0.342 61.809 62.300 -0.249 0.000 0.866 239 V CB 1.046 32.735 31.823 -0.222 0.000 1.019 239 V HN 0.734 nan 8.190 nan 0.000 0.468 240 V N 5.142 124.899 119.914 -0.262 0.000 2.432 240 V HA 0.474 4.594 4.120 -0.000 0.000 0.275 240 V C 0.088 176.048 176.094 -0.224 0.000 1.043 240 V CA -0.259 61.922 62.300 -0.199 0.000 0.925 240 V CB 1.278 32.991 31.823 -0.184 0.000 0.985 240 V HN 0.973 nan 8.190 nan 0.000 0.466 241 E N 2.671 122.775 120.200 -0.160 0.000 2.340 241 E HA 0.338 4.687 4.350 -0.000 0.000 0.273 241 E C -0.918 175.626 176.600 -0.094 0.000 0.891 241 E CA -0.754 55.553 56.400 -0.155 0.000 0.757 241 E CB 1.919 31.548 29.700 -0.119 0.000 1.231 241 E HN 0.686 nan 8.360 nan 0.000 0.439 242 E N 3.669 123.813 120.200 -0.093 0.000 2.344 242 E HA -0.012 4.338 4.350 -0.000 0.000 0.270 242 E C 0.835 177.443 176.600 0.014 0.000 1.021 242 E CA -0.117 56.261 56.400 -0.036 0.000 0.887 242 E CB 1.171 30.852 29.700 -0.032 0.000 0.997 242 E HN 0.631 nan 8.360 nan 0.000 0.429 243 L N 5.684 126.909 121.223 0.004 0.000 1.978 243 L HA -0.258 4.082 4.340 -0.000 0.000 0.218 243 L C 1.898 178.781 176.870 0.021 0.000 1.075 243 L CA 2.026 56.870 54.840 0.006 0.000 0.767 243 L CB -0.395 41.662 42.059 -0.004 0.000 0.890 243 L HN 0.568 nan 8.230 nan 0.000 0.434 244 E N -1.171 119.046 120.200 0.028 0.000 2.110 244 E HA -0.262 4.088 4.350 -0.000 0.000 0.193 244 E C 2.219 178.839 176.600 0.034 0.000 0.988 244 E CA 1.334 57.748 56.400 0.022 0.000 0.804 244 E CB -0.699 29.013 29.700 0.020 0.000 0.745 244 E HN 0.687 nan 8.360 nan 0.000 0.458 245 H N 0.575 119.629 119.070 -0.026 0.000 2.387 245 H HA -0.006 4.550 4.556 -0.000 0.000 0.299 245 H C 1.798 177.109 175.328 -0.029 0.000 1.090 245 H CA 1.642 57.675 56.048 -0.026 0.000 1.332 245 H CB 0.231 29.974 29.762 -0.032 0.000 1.386 245 H HN 0.124 nan 8.280 nan 0.000 0.516 246 A N 1.084 123.973 122.820 0.115 0.000 1.873 246 A HA -0.053 4.266 4.320 -0.000 0.000 0.215 246 A C 2.861 180.436 177.584 -0.014 0.000 1.186 246 A CA 1.013 53.082 52.037 0.053 0.000 0.616 246 A CB -0.789 18.228 19.000 0.028 0.000 0.823 246 A HN 0.400 nan 8.150 nan 0.000 0.442 247 L N -0.687 120.524 121.223 -0.021 0.000 2.083 247 L HA -0.177 4.163 4.340 -0.000 0.000 0.209 247 L C 3.039 179.880 176.870 -0.049 0.000 1.083 247 L CA 0.986 55.806 54.840 -0.033 0.000 0.752 247 L CB -0.539 41.504 42.059 -0.027 0.000 0.899 247 L HN 0.434 nan 8.230 nan 0.000 0.433 248 A N 0.995 123.771 122.820 -0.073 0.000 1.972 248 A HA -0.188 4.132 4.320 -0.000 0.000 0.219 248 A C 2.239 179.758 177.584 -0.107 0.000 1.169 248 A CA 1.613 53.592 52.037 -0.097 0.000 0.635 248 A CB -0.470 18.448 19.000 -0.137 0.000 0.810 248 A HN 0.578 nan 8.150 nan 0.000 0.446 249 R N -1.361 119.067 120.500 -0.119 0.000 2.393 249 R HA 0.353 4.693 4.340 -0.000 0.000 0.244 249 R C 0.931 177.206 176.300 -0.042 0.000 0.920 249 R CA 0.620 56.667 56.100 -0.088 0.000 1.076 249 R CB -0.581 29.657 30.300 -0.103 0.000 1.119 249 R HN 0.709 nan 8.270 nan 0.000 0.524 250 G N 0.878 109.656 108.800 -0.037 0.000 2.221 250 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.265 250 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.265 250 G C 0.304 175.199 174.900 -0.007 0.000 1.041 250 G CA 0.177 45.264 45.100 -0.021 0.000 0.807 250 G HN 0.714 nan 8.290 nan 0.000 0.502 251 A N -0.408 122.408 122.820 -0.007 0.000 2.406 251 A HA 0.566 4.885 4.320 -0.000 0.000 0.243 251 A C 0.410 177.995 177.584 0.001 0.000 1.082 251 A CA 0.444 52.487 52.037 0.009 0.000 0.786 251 A CB 0.275 19.281 19.000 0.011 0.000 1.029 251 A HN 1.435 nan 8.150 nan 0.000 0.495 252 H N 0.919 119.935 119.070 -0.089 0.000 2.668 252 H HA 0.518 5.074 4.556 -0.000 0.000 0.303 252 H C -0.678 174.537 175.328 -0.189 0.000 1.074 252 H CA -0.330 55.620 56.048 -0.164 0.000 1.406 252 H CB 0.130 29.752 29.762 -0.233 0.000 1.442 252 H HN 0.429 nan 8.280 nan 0.000 0.482 253 I N 7.053 127.236 120.570 -0.646 0.000 2.312 253 I HA 0.020 4.190 4.170 -0.000 0.000 0.290 253 I C 0.062 175.824 176.117 -0.591 0.000 1.008 253 I CA -0.459 60.573 61.300 -0.446 0.000 1.226 253 I CB 0.895 38.761 38.000 -0.223 0.000 1.371 253 I HN 0.761 nan 8.210 nan 0.000 0.468 254 Y N 5.124 125.231 120.300 -0.321 0.000 2.184 254 Y HA 0.193 4.743 4.550 -0.000 0.000 0.290 254 Y C 1.260 177.081 175.900 -0.132 0.000 1.129 254 Y CA 0.996 58.982 58.100 -0.192 0.000 1.144 254 Y CB 0.164 38.587 38.460 -0.063 0.000 0.995 254 Y HN 0.677 nan 8.280 nan 0.000 0.513 255 A N -0.787 122.070 122.820 0.061 0.000 2.544 255 A HA 0.433 4.752 4.320 -0.000 0.000 0.291 255 A C -1.502 176.080 177.584 -0.003 0.000 1.055 255 A CA -0.826 51.220 52.037 0.015 0.000 0.651 255 A CB 0.737 19.755 19.000 0.030 0.000 1.296 255 A HN 0.070 nan 8.150 nan 0.000 0.431 256 E N 0.484 120.679 120.200 -0.008 0.000 2.179 256 E HA 0.618 4.968 4.350 -0.000 0.000 0.275 256 E C -1.209 175.388 176.600 -0.004 0.000 0.945 256 E CA -0.601 55.793 56.400 -0.011 0.000 0.792 256 E CB 0.967 30.661 29.700 -0.010 0.000 1.125 256 E HN 0.494 nan 8.360 nan 0.000 0.397 257 I N 5.740 126.305 120.570 -0.009 0.000 2.308 257 I HA 0.037 4.207 4.170 -0.000 0.000 0.293 257 I C 1.006 177.134 176.117 0.019 0.000 1.078 257 I CA -0.288 61.011 61.300 -0.001 0.000 1.292 257 I CB 0.982 38.969 38.000 -0.022 0.000 1.423 257 I HN 0.526 nan 8.210 nan 0.000 0.493 258 V N 2.668 122.601 119.914 0.032 0.000 3.660 258 V HA 0.526 4.646 4.120 -0.000 0.000 0.276 258 V C 0.671 176.803 176.094 0.064 0.000 1.317 258 V CA 0.133 62.457 62.300 0.041 0.000 1.097 258 V CB 0.007 31.849 31.823 0.031 0.000 0.863 258 V HN 0.720 nan 8.190 nan 0.000 0.438 259 G N -0.434 108.415 108.800 0.082 0.000 2.759 259 G HA2 0.544 4.504 3.960 -0.000 0.000 0.297 259 G HA3 0.544 4.504 3.960 -0.000 0.000 0.297 259 G C -2.326 172.683 174.900 0.180 0.000 1.434 259 G CA -0.585 44.582 45.100 0.112 0.000 0.980 259 G HN 0.372 nan 8.290 nan 0.000 0.531 260 Y N 1.157 121.474 120.300 0.027 0.000 2.330 260 Y HA 0.673 5.223 4.550 -0.000 0.000 0.324 260 Y C -0.213 175.710 175.900 0.038 0.000 1.093 260 Y CA -1.115 57.000 58.100 0.026 0.000 1.103 260 Y CB 1.696 40.171 38.460 0.025 0.000 1.183 260 Y HN 0.869 nan 8.280 nan 0.000 0.433 261 G N 3.065 111.737 108.800 -0.213 0.000 2.452 261 G HA2 0.771 4.731 3.960 -0.000 0.000 0.324 261 G HA3 0.771 4.731 3.960 -0.000 0.000 0.324 261 G C -1.706 172.978 174.900 -0.360 0.000 1.214 261 G CA -0.627 44.291 45.100 -0.305 0.000 0.947 261 G HN 1.162 nan 8.290 nan 0.000 0.478 262 A N 1.435 124.066 122.820 -0.315 0.000 2.442 262 A HA 0.863 5.183 4.320 -0.000 0.000 0.284 262 A C -0.029 177.538 177.584 -0.028 0.000 1.058 262 A CA -0.076 51.917 52.037 -0.074 0.000 0.738 262 A CB 1.285 20.231 19.000 -0.090 0.000 1.242 262 A HN 1.574 nan 8.150 nan 0.000 0.421 263 T N -1.462 113.121 114.554 0.048 0.000 2.804 263 T HA 0.861 5.211 4.350 -0.000 0.000 0.290 263 T C -0.326 174.397 174.700 0.039 0.000 1.099 263 T CA -0.519 61.590 62.100 0.015 0.000 1.011 263 T CB 1.738 70.602 68.868 -0.007 0.000 1.291 263 T HN 1.319 nan 8.240 nan 0.000 0.523 264 S N -0.985 114.721 115.700 0.010 0.000 2.541 264 S HA 0.466 4.936 4.470 -0.000 0.000 0.280 264 S C -0.213 174.382 174.600 -0.009 0.000 1.112 264 S CA -0.611 57.596 58.200 0.013 0.000 0.925 264 S CB 1.620 64.825 63.200 0.008 0.000 1.067 264 S HN 0.700 nan 8.310 nan 0.000 0.479 265 D N 2.705 123.099 120.400 -0.011 0.000 2.137 265 D HA 0.151 4.791 4.640 -0.000 0.000 0.202 265 D C 1.457 177.747 176.300 -0.017 0.000 0.970 265 D CA 1.510 55.493 54.000 -0.027 0.000 0.837 265 D CB -0.500 40.281 40.800 -0.032 0.000 0.981 265 D HN 1.042 nan 8.370 nan 0.000 0.475 266 G N 0.169 108.965 108.800 -0.005 0.000 2.273 266 G HA2 -0.113 3.846 3.960 -0.000 0.000 0.280 266 G HA3 -0.113 3.846 3.960 -0.000 0.000 0.280 266 G C 0.623 175.519 174.900 -0.007 0.000 1.047 266 G CA 0.909 46.006 45.100 -0.005 0.000 0.869 266 G HN 0.625 nan 8.290 nan 0.000 0.502 267 A N -0.861 121.955 122.820 -0.007 0.000 1.795 267 A HA 0.690 5.010 4.320 -0.000 0.000 0.182 267 A C 0.452 178.031 177.584 -0.008 0.000 2.073 267 A CA 1.090 53.121 52.037 -0.010 0.000 1.402 267 A CB 0.280 19.271 19.000 -0.016 0.000 0.977 267 A HN 0.533 nan 8.150 nan 0.000 0.648 268 D N -1.165 119.229 120.400 -0.010 0.000 2.181 268 D HA 0.478 5.118 4.640 -0.000 0.000 0.248 268 D C 1.064 177.354 176.300 -0.016 0.000 1.020 268 D CA -0.483 53.507 54.000 -0.016 0.000 0.891 268 D CB 0.841 41.630 40.800 -0.020 0.000 1.187 268 D HN 0.122 nan 8.370 nan 0.000 0.443 269 M N 2.165 121.744 119.600 -0.036 0.000 2.319 269 M HA -0.009 4.471 4.480 -0.000 0.000 0.265 269 M C 0.976 177.200 176.300 -0.128 0.000 1.068 269 M CA 0.873 56.147 55.300 -0.043 0.000 1.118 269 M CB 0.043 32.614 32.600 -0.049 0.000 1.395 269 M HN 0.366 nan 8.290 nan 0.000 0.435 270 V N -1.522 118.263 119.914 -0.214 0.000 3.539 270 V HA 0.312 4.432 4.120 -0.000 0.000 0.262 270 V C 0.606 176.592 176.094 -0.180 0.000 1.381 270 V CA 0.226 62.238 62.300 -0.480 0.000 1.060 270 V CB 0.552 32.036 31.823 -0.565 0.000 0.842 270 V HN 0.255 nan 8.190 nan 0.000 0.445 271 A N 2.000 124.790 122.820 -0.051 0.000 2.325 271 A HA 0.814 5.134 4.320 -0.000 0.000 0.333 271 A C -2.741 174.866 177.584 0.038 0.000 1.155 271 A CA -1.677 50.380 52.037 0.033 0.000 0.814 271 A CB 0.808 19.821 19.000 0.021 0.000 1.206 271 A HN 0.139 nan 8.150 nan 0.000 0.482 272 P HA 0.138 nan 4.420 nan 0.000 0.279 272 P C 0.574 177.846 177.300 -0.046 0.000 1.239 272 P CA -0.067 63.017 63.100 -0.027 0.000 0.789 272 P CB 1.549 33.210 31.700 -0.065 0.000 0.933 273 S N 1.405 117.059 115.700 -0.076 0.000 2.478 273 S HA 0.151 4.621 4.470 -0.000 0.000 0.222 273 S C 1.630 176.186 174.600 -0.073 0.000 1.008 273 S CA 0.870 59.035 58.200 -0.059 0.000 0.928 273 S CB -0.972 62.196 63.200 -0.053 0.000 0.781 273 S HN 0.736 nan 8.310 nan 0.000 0.518 274 G N 1.785 110.507 108.800 -0.130 0.000 2.498 274 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.229 274 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.229 274 G C 0.929 175.760 174.900 -0.115 0.000 1.156 274 G CA 0.545 45.570 45.100 -0.125 0.000 0.680 274 G HN 0.463 nan 8.290 nan 0.000 0.512 275 E N 1.720 121.868 120.200 -0.086 0.000 2.077 275 E HA -0.070 4.280 4.350 -0.000 0.000 0.193 275 E C 2.642 179.193 176.600 -0.082 0.000 0.989 275 E CA 2.202 58.562 56.400 -0.067 0.000 0.800 275 E CB -0.946 28.725 29.700 -0.049 0.000 0.746 275 E HN 0.640 nan 8.360 nan 0.000 0.452 276 G N 0.628 109.365 108.800 -0.106 0.000 2.408 276 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.217 276 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.217 276 G C 1.709 176.533 174.900 -0.128 0.000 1.150 276 G CA 1.120 46.158 45.100 -0.103 0.000 0.776 276 G HN 0.415 nan 8.290 nan 0.000 0.542 277 A N 0.150 122.831 122.820 -0.232 0.000 1.930 277 A HA 0.135 4.455 4.320 -0.000 0.000 0.217 277 A C 2.574 180.128 177.584 -0.050 0.000 1.175 277 A CA 1.598 53.492 52.037 -0.238 0.000 0.627 277 A CB -0.471 18.226 19.000 -0.505 0.000 0.815 277 A HN 0.227 nan 8.150 nan 0.000 0.443 278 V N 0.031 119.909 119.914 -0.060 0.000 2.295 278 V HA -0.273 3.847 4.120 -0.000 0.000 0.246 278 V C 2.639 178.710 176.094 -0.037 0.000 1.049 278 V CA 2.289 64.567 62.300 -0.037 0.000 1.024 278 V CB -0.775 31.023 31.823 -0.042 0.000 0.648 278 V HN 0.531 nan 8.190 nan 0.000 0.447 279 R N -1.136 119.339 120.500 -0.041 0.000 2.096 279 R HA -0.178 4.162 4.340 -0.000 0.000 0.235 279 R C 2.399 178.683 176.300 -0.027 0.000 1.127 279 R CA 1.651 57.728 56.100 -0.037 0.000 0.968 279 R CB -0.826 29.450 30.300 -0.040 0.000 0.861 279 R HN 0.567 nan 8.270 nan 0.000 0.440 280 C N 0.721 120.017 119.300 -0.006 0.000 2.436 280 C HA -0.062 4.398 4.460 -0.000 0.000 0.277 280 C C 2.613 177.621 174.990 0.031 0.000 1.241 280 C CA 0.833 59.864 59.018 0.022 0.000 1.721 280 C CB -0.664 27.134 27.740 0.097 0.000 2.043 280 C HN 0.462 nan 8.230 nan 0.000 0.472 281 M N 0.159 119.790 119.600 0.053 0.000 2.117 281 M HA -0.160 4.320 4.480 -0.000 0.000 0.262 281 M C 2.272 178.561 176.300 -0.019 0.000 1.065 281 M CA 1.822 57.148 55.300 0.044 0.000 1.114 281 M CB -0.484 32.154 32.600 0.063 0.000 1.361 281 M HN 0.398 nan 8.290 nan 0.000 0.408 282 K N 0.035 120.407 120.400 -0.047 0.000 2.057 282 K HA -0.146 4.174 4.320 -0.000 0.000 0.207 282 K C 2.001 178.600 176.600 -0.002 0.000 1.049 282 K CA 1.410 57.665 56.287 -0.054 0.000 0.931 282 K CB -0.245 32.222 32.500 -0.055 0.000 0.714 282 K HN 0.346 nan 8.250 nan 0.000 0.440 283 M N 0.596 120.189 119.600 -0.011 0.000 2.108 283 M HA -0.169 4.311 4.480 -0.000 0.000 0.261 283 M C 2.034 178.344 176.300 0.017 0.000 1.066 283 M CA 1.789 57.080 55.300 -0.015 0.000 1.107 283 M CB -0.085 32.475 32.600 -0.067 0.000 1.356 283 M HN 0.164 nan 8.290 nan 0.000 0.406 284 A N -0.115 122.714 122.820 0.015 0.000 2.119 284 A HA -0.064 4.256 4.320 -0.000 0.000 0.217 284 A C 1.817 179.438 177.584 0.062 0.000 1.153 284 A CA 1.166 53.230 52.037 0.045 0.000 0.692 284 A CB -0.557 18.476 19.000 0.056 0.000 0.799 284 A HN 0.659 nan 8.150 nan 0.000 0.458 285 M N -0.988 118.640 119.600 0.046 0.000 2.428 285 M HA 0.091 4.571 4.480 -0.000 0.000 0.239 285 M C 0.527 176.846 176.300 0.031 0.000 1.121 285 M CA -0.018 55.300 55.300 0.030 0.000 1.019 285 M CB 0.060 32.647 32.600 -0.022 0.000 1.485 285 M HN 0.394 nan 8.290 nan 0.000 0.484 286 H N 0.948 120.006 119.070 -0.019 0.000 3.004 286 H HA 0.074 4.630 4.556 -0.000 0.000 0.316 286 H C 1.046 176.372 175.328 -0.004 0.000 1.014 286 H CA 2.014 58.052 56.048 -0.017 0.000 1.454 286 H CB 0.606 30.355 29.762 -0.020 0.000 1.472 286 H HN 0.582 nan 8.280 nan 0.000 0.571 287 G N 3.992 112.588 108.800 -0.340 0.000 2.205 287 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.261 287 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.261 287 G C 0.156 175.017 174.900 -0.066 0.000 0.980 287 G CA 0.279 45.284 45.100 -0.158 0.000 0.632 287 G HN 0.598 nan 8.290 nan 0.000 0.533 288 V N 2.051 121.938 119.914 -0.046 0.000 2.372 288 V HA 0.314 4.433 4.120 -0.000 0.000 0.261 288 V C 0.347 176.428 176.094 -0.021 0.000 1.055 288 V CA -0.024 62.269 62.300 -0.012 0.000 0.930 288 V CB 1.392 33.225 31.823 0.016 0.000 1.031 288 V HN 0.261 nan 8.190 nan 0.000 0.479 289 D N 3.090 123.479 120.400 -0.018 0.000 2.395 289 D HA 0.101 4.741 4.640 -0.000 0.000 0.226 289 D C 0.836 177.136 176.300 0.000 0.000 1.146 289 D CA 0.219 54.209 54.000 -0.017 0.000 0.830 289 D CB 0.716 41.501 40.800 -0.025 0.000 0.958 289 D HN 0.692 nan 8.370 nan 0.000 0.501 290 T N -1.170 113.392 114.554 0.013 0.000 2.908 290 T HA 0.543 4.893 4.350 -0.000 0.000 0.290 290 T C -2.604 172.120 174.700 0.041 0.000 1.034 290 T CA -1.770 60.343 62.100 0.022 0.000 1.010 290 T CB 2.635 71.515 68.868 0.020 0.000 1.068 290 T HN -0.207 nan 8.240 nan 0.000 0.481 291 P HA 0.309 nan 4.420 nan 0.000 0.274 291 P C -0.499 176.846 177.300 0.075 0.000 1.231 291 P CA -0.655 62.489 63.100 0.073 0.000 0.790 291 P CB 0.565 32.299 31.700 0.057 0.000 0.951 292 I N 3.036 123.672 120.570 0.110 0.000 2.379 292 I HA 0.016 4.186 4.170 -0.000 0.000 0.290 292 I C 1.346 177.463 176.117 0.000 0.000 1.063 292 I CA 0.328 61.669 61.300 0.069 0.000 1.351 292 I CB 0.035 38.100 38.000 0.107 0.000 1.410 292 I HN 0.331 nan 8.210 nan 0.000 0.505 293 D N 5.118 125.533 120.400 0.024 0.000 2.213 293 D HA -0.089 4.551 4.640 -0.000 0.000 0.205 293 D C 0.066 176.411 176.300 0.075 0.000 0.961 293 D CA 1.407 55.428 54.000 0.034 0.000 0.853 293 D CB 0.420 41.249 40.800 0.047 0.000 0.967 293 D HN 0.520 nan 8.370 nan 0.000 0.496 294 Y N 0.160 120.414 120.300 -0.077 0.000 2.513 294 Y HA 0.476 5.026 4.550 -0.000 0.000 0.340 294 Y C -2.014 173.837 175.900 -0.081 0.000 1.055 294 Y CA -1.145 56.903 58.100 -0.087 0.000 1.020 294 Y CB 1.445 39.856 38.460 -0.082 0.000 1.301 294 Y HN -0.235 nan 8.280 nan 0.000 0.453 295 L N 6.801 127.439 121.223 -0.976 0.000 2.376 295 L HA 0.491 4.831 4.340 -0.000 0.000 0.275 295 L C -1.249 175.015 176.870 -1.010 0.000 0.987 295 L CA -0.562 53.817 54.840 -0.768 0.000 0.828 295 L CB 1.089 42.904 42.059 -0.407 0.000 1.249 295 L HN 0.805 nan 8.230 nan 0.000 0.409 296 N N 3.616 121.890 118.700 -0.710 0.000 2.469 296 N HA 0.135 4.875 4.740 -0.000 0.000 0.239 296 N C -0.372 175.033 175.510 -0.174 0.000 1.053 296 N CA -0.210 52.639 53.050 -0.334 0.000 0.937 296 N CB 1.048 39.500 38.487 -0.058 0.000 1.163 296 N HN 0.723 nan 8.380 nan 0.000 0.509 297 S N 2.615 118.255 115.700 -0.100 0.000 2.600 297 S HA 0.000 4.470 4.470 -0.000 0.000 0.265 297 S C 1.320 175.886 174.600 -0.057 0.000 1.325 297 S CA -0.226 57.959 58.200 -0.026 0.000 1.002 297 S CB 1.160 64.430 63.200 0.117 0.000 0.921 297 S HN 0.738 nan 8.310 nan 0.000 0.554 298 H N 1.944 120.902 119.070 -0.187 0.000 2.357 298 H HA 0.141 4.697 4.556 -0.000 0.000 0.301 298 H C 1.537 176.749 175.328 -0.194 0.000 1.082 298 H CA 1.244 57.130 56.048 -0.270 0.000 1.342 298 H CB -1.096 28.456 29.762 -0.349 0.000 1.389 298 H HN 1.040 nan 8.280 nan 0.000 0.511 299 G N 0.900 109.612 108.800 -0.147 0.000 2.394 299 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.264 299 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.264 299 G C 1.022 175.675 174.900 -0.412 0.000 0.282 299 G CA 1.005 45.937 45.100 -0.281 0.000 1.090 299 G HN 0.775 nan 8.290 nan 0.000 0.486 300 T N -1.236 113.072 114.554 -0.409 0.000 3.100 300 T HA 0.363 4.713 4.350 -0.000 0.000 0.253 300 T C 1.330 175.979 174.700 -0.085 0.000 1.118 300 T CA 1.010 62.905 62.100 -0.342 0.000 1.058 300 T CB 0.286 68.960 68.868 -0.322 0.000 0.953 300 T HN 1.814 nan 8.240 nan 0.000 0.515 301 S N 0.752 116.383 115.700 -0.114 0.000 3.777 301 S HA -0.124 4.346 4.470 -0.000 0.000 0.296 301 S C 0.167 174.798 174.600 0.051 0.000 1.173 301 S CA 0.543 58.709 58.200 -0.058 0.000 0.824 301 S CB -2.135 61.049 63.200 -0.027 0.000 0.932 301 S HN 1.269 nan 8.310 nan 0.000 0.571 302 T N -1.081 113.522 114.554 0.081 0.000 2.888 302 T HA 0.700 5.050 4.350 -0.000 0.000 0.284 302 T C -1.456 173.305 174.700 0.101 0.000 1.017 302 T CA -1.639 60.541 62.100 0.134 0.000 1.022 302 T CB 1.731 70.731 68.868 0.220 0.000 1.013 302 T HN -0.065 nan 8.240 nan 0.000 0.465 303 P HA -0.156 nan 4.420 nan 0.000 0.214 303 P C 1.642 178.994 177.300 0.086 0.000 1.169 303 P CA 0.814 63.961 63.100 0.080 0.000 0.908 303 P CB -0.022 31.721 31.700 0.072 0.000 0.791 304 V N -0.576 119.396 119.914 0.096 0.000 2.302 304 V HA -0.082 4.038 4.120 -0.000 0.000 0.243 304 V C 2.607 178.772 176.094 0.118 0.000 1.036 304 V CA 2.365 64.722 62.300 0.094 0.000 1.020 304 V CB -1.958 29.916 31.823 0.085 0.000 0.657 304 V HN 0.166 nan 8.190 nan 0.000 0.453 305 G N 0.127 109.019 108.800 0.152 0.000 2.476 305 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.218 305 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.218 305 G C 1.184 176.199 174.900 0.192 0.000 1.164 305 G CA 1.414 46.632 45.100 0.196 0.000 0.768 305 G HN 0.503 nan 8.290 nan 0.000 0.560 306 D N 0.033 120.520 120.400 0.144 0.000 2.116 306 D HA -0.150 4.490 4.640 -0.000 0.000 0.193 306 D C 2.894 179.340 176.300 0.243 0.000 0.998 306 D CA 1.939 56.026 54.000 0.145 0.000 0.836 306 D CB -0.624 40.202 40.800 0.044 0.000 0.951 306 D HN 0.384 nan 8.370 nan 0.000 0.449 307 V N -1.616 118.408 119.914 0.182 0.000 2.719 307 V HA -0.016 4.104 4.120 -0.000 0.000 0.252 307 V C 1.976 178.143 176.094 0.122 0.000 1.065 307 V CA 0.912 63.304 62.300 0.153 0.000 1.086 307 V CB -0.299 31.589 31.823 0.109 0.000 0.700 307 V HN -0.077 nan 8.190 nan 0.000 0.467 308 K N 0.935 121.403 120.400 0.113 0.000 2.057 308 K HA -0.179 4.141 4.320 -0.000 0.000 0.207 308 K C 2.198 178.849 176.600 0.084 0.000 1.049 308 K CA 2.110 58.442 56.287 0.075 0.000 0.931 308 K CB -0.314 32.219 32.500 0.054 0.000 0.714 308 K HN 0.781 nan 8.250 nan 0.000 0.440 309 E N 0.764 121.058 120.200 0.156 0.000 2.072 309 E HA -0.116 4.234 4.350 -0.000 0.000 0.191 309 E C 2.109 178.820 176.600 0.185 0.000 0.985 309 E CA 0.614 57.144 56.400 0.217 0.000 0.801 309 E CB 0.031 29.959 29.700 0.381 0.000 0.750 309 E HN 0.160 nan 8.360 nan 0.000 0.452 310 L N 0.413 121.740 121.223 0.173 0.000 2.083 310 L HA -0.160 4.180 4.340 -0.000 0.000 0.209 310 L C 2.668 179.587 176.870 0.082 0.000 1.083 310 L CA 1.013 55.918 54.840 0.109 0.000 0.752 310 L CB -0.510 41.593 42.059 0.074 0.000 0.899 310 L HN 0.242 nan 8.230 nan 0.000 0.433 311 A N 0.037 122.903 122.820 0.077 0.000 1.930 311 A HA -0.120 4.199 4.320 -0.000 0.000 0.217 311 A C 2.536 180.154 177.584 0.056 0.000 1.175 311 A CA 1.580 53.649 52.037 0.054 0.000 0.627 311 A CB -0.550 18.474 19.000 0.041 0.000 0.815 311 A HN 0.394 nan 8.150 nan 0.000 0.443 312 A N -0.052 122.806 122.820 0.063 0.000 1.930 312 A HA -0.051 4.269 4.320 -0.000 0.000 0.217 312 A C 2.093 179.741 177.584 0.107 0.000 1.175 312 A CA 1.440 53.511 52.037 0.057 0.000 0.627 312 A CB -0.570 18.453 19.000 0.039 0.000 0.815 312 A HN 0.490 nan 8.150 nan 0.000 0.443 313 I N -0.906 119.759 120.570 0.160 0.000 2.226 313 I HA -0.267 3.903 4.170 -0.000 0.000 0.245 313 I C 2.778 179.056 176.117 0.268 0.000 1.100 313 I CA 1.266 62.725 61.300 0.266 0.000 1.374 313 I CB -0.316 37.795 38.000 0.185 0.000 1.057 313 I HN 0.298 nan 8.210 nan 0.000 0.413 314 R N 0.393 120.978 120.500 0.143 0.000 2.081 314 R HA -0.210 4.130 4.340 -0.000 0.000 0.235 314 R C 2.244 178.599 176.300 0.092 0.000 1.131 314 R CA 1.567 57.733 56.100 0.110 0.000 0.960 314 R CB -0.340 29.997 30.300 0.060 0.000 0.856 314 R HN 0.412 nan 8.270 nan 0.000 0.436 315 E N 0.417 120.653 120.200 0.059 0.000 2.106 315 E HA -0.145 4.205 4.350 -0.000 0.000 0.192 315 E C 1.842 178.431 176.600 -0.018 0.000 0.984 315 E CA 1.022 57.432 56.400 0.018 0.000 0.806 315 E CB 0.262 29.964 29.700 0.004 0.000 0.750 315 E HN 0.101 nan 8.360 nan 0.000 0.458 316 V N 0.008 119.898 119.914 -0.039 0.000 2.323 316 V HA -0.180 3.940 4.120 -0.000 0.000 0.244 316 V C 1.666 177.549 176.094 -0.352 0.000 1.041 316 V CA 1.554 63.714 62.300 -0.234 0.000 1.025 316 V CB -0.386 31.215 31.823 -0.371 0.000 0.656 316 V HN 0.273 nan 8.190 nan 0.000 0.451 317 F N 0.077 120.029 119.950 0.003 0.000 2.776 317 F HA 0.462 4.989 4.527 -0.000 0.000 0.300 317 F C 1.811 177.609 175.800 -0.002 0.000 1.116 317 F CA 0.571 58.571 58.000 -0.001 0.000 1.375 317 F CB -0.580 38.417 39.000 -0.004 0.000 1.109 317 F HN 0.274 nan 8.300 nan 0.000 0.585 318 G N 0.781 109.657 108.800 0.127 0.000 2.611 318 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.301 318 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.301 318 G C 0.464 175.417 174.900 0.089 0.000 1.233 318 G CA 0.555 45.702 45.100 0.079 0.000 0.993 318 G HN 0.317 nan 8.290 nan 0.000 0.553 319 D N 1.421 121.860 120.400 0.065 0.000 2.460 319 D HA 0.188 4.828 4.640 -0.000 0.000 0.229 319 D C 0.753 177.086 176.300 0.055 0.000 1.170 319 D CA 0.164 54.194 54.000 0.050 0.000 0.827 319 D CB 0.235 41.054 40.800 0.031 0.000 0.973 319 D HN 0.163 nan 8.370 nan 0.000 0.496 320 K N 1.253 121.710 120.400 0.095 0.000 3.202 320 K HA 0.099 4.419 4.320 -0.000 0.000 0.206 320 K C -0.138 176.518 176.600 0.093 0.000 1.142 320 K CA -0.173 56.170 56.287 0.094 0.000 0.979 320 K CB 0.922 33.493 32.500 0.120 0.000 0.863 320 K HN 0.034 nan 8.250 nan 0.000 0.479 321 S N 1.263 116.968 115.700 0.009 0.000 2.565 321 S HA 0.430 4.900 4.470 -0.000 0.000 0.276 321 S C -1.655 172.778 174.600 -0.277 0.000 1.326 321 S CA -0.882 57.201 58.200 -0.196 0.000 1.045 321 S CB 0.791 63.917 63.200 -0.123 0.000 0.918 321 S HN 0.141 nan 8.310 nan 0.000 0.505 322 P HA 0.387 nan 4.420 nan 0.000 0.277 322 P C -0.523 176.657 177.300 -0.200 0.000 1.271 322 P CA -0.652 62.260 63.100 -0.313 0.000 0.795 322 P CB 0.497 31.948 31.700 -0.416 0.000 1.101 323 A N 0.799 123.570 122.820 -0.082 0.000 2.462 323 A HA 0.436 4.756 4.320 -0.000 0.000 0.243 323 A C 0.293 177.870 177.584 -0.012 0.000 1.076 323 A CA -0.039 52.002 52.037 0.006 0.000 0.773 323 A CB -0.713 18.353 19.000 0.111 0.000 1.010 323 A HN 0.462 nan 8.150 nan 0.000 0.493 324 I N 1.350 121.912 120.570 -0.014 0.000 2.730 324 I HA 0.566 4.736 4.170 -0.000 0.000 0.298 324 I C -0.015 176.157 176.117 0.093 0.000 1.089 324 I CA -0.285 60.976 61.300 -0.065 0.000 1.041 324 I CB 2.584 40.505 38.000 -0.133 0.000 1.235 324 I HN 0.784 nan 8.210 nan 0.000 0.423 325 S N 3.470 119.260 115.700 0.151 0.000 2.535 325 S HA 0.808 5.277 4.470 -0.000 0.000 0.272 325 S C -1.143 173.577 174.600 0.199 0.000 1.149 325 S CA -0.786 57.555 58.200 0.235 0.000 0.888 325 S CB 1.874 65.247 63.200 0.288 0.000 1.110 325 S HN 0.815 nan 8.310 nan 0.000 0.463 326 A N 2.299 125.231 122.820 0.187 0.000 2.322 326 A HA 0.607 4.927 4.320 -0.000 0.000 0.327 326 A C 1.159 178.750 177.584 0.013 0.000 1.394 326 A CA -0.202 51.870 52.037 0.058 0.000 0.921 326 A CB -0.102 18.853 19.000 -0.075 0.000 1.153 326 A HN 1.397 nan 8.150 nan 0.000 0.523 327 T N -0.038 114.528 114.554 0.021 0.000 3.072 327 T HA -0.074 4.276 4.350 -0.000 0.000 0.266 327 T C 1.334 175.997 174.700 -0.062 0.000 1.127 327 T CA 1.149 63.233 62.100 -0.027 0.000 1.107 327 T CB -0.279 68.567 68.868 -0.036 0.000 0.910 327 T HN 0.629 nan 8.240 nan 0.000 0.513 328 K N 1.114 121.467 120.400 -0.079 0.000 2.280 328 K HA 0.148 4.468 4.320 -0.000 0.000 0.202 328 K C 2.618 179.171 176.600 -0.077 0.000 1.047 328 K CA 0.880 57.106 56.287 -0.102 0.000 0.942 328 K CB -0.349 32.028 32.500 -0.205 0.000 0.739 328 K HN 0.488 nan 8.250 nan 0.000 0.457 329 A N 0.956 123.729 122.820 -0.079 0.000 1.972 329 A HA -0.151 4.169 4.320 -0.000 0.000 0.219 329 A C 2.005 179.562 177.584 -0.045 0.000 1.169 329 A CA 1.411 53.411 52.037 -0.062 0.000 0.635 329 A CB -0.260 18.708 19.000 -0.052 0.000 0.810 329 A HN 0.199 nan 8.150 nan 0.000 0.446 330 M N -1.310 118.256 119.600 -0.055 0.000 2.429 330 M HA -0.038 4.442 4.480 -0.000 0.000 0.265 330 M C 2.332 178.602 176.300 -0.050 0.000 1.120 330 M CA 1.667 56.932 55.300 -0.058 0.000 1.173 330 M CB -0.063 32.479 32.600 -0.096 0.000 1.343 330 M HN 0.611 nan 8.290 nan 0.000 0.464 331 T N -2.384 112.136 114.554 -0.057 0.000 3.044 331 T HA 0.436 4.786 4.350 -0.000 0.000 0.255 331 T C 1.040 175.747 174.700 0.012 0.000 1.073 331 T CA 0.510 62.595 62.100 -0.025 0.000 1.125 331 T CB 0.070 68.936 68.868 -0.003 0.000 0.908 331 T HN 0.538 nan 8.240 nan 0.000 0.480 332 G N 0.935 109.744 108.800 0.015 0.000 2.710 332 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.668 332 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.668 332 G C -1.009 173.917 174.900 0.043 0.000 1.320 332 G CA -0.419 44.716 45.100 0.059 0.000 0.860 332 G HN 0.768 nan 8.290 nan 0.000 0.538 333 H N 0.877 119.900 119.070 -0.079 0.000 2.685 333 H HA 0.586 5.142 4.556 -0.000 0.000 0.286 333 H C 1.653 176.857 175.328 -0.207 0.000 1.102 333 H CA 0.027 55.923 56.048 -0.254 0.000 1.254 333 H CB 0.639 30.025 29.762 -0.626 0.000 1.397 333 H HN 0.831 nan 8.280 nan 0.000 0.473 334 S N 4.863 120.630 115.700 0.113 0.000 2.754 334 S HA 0.102 4.572 4.470 -0.000 0.000 0.223 334 S C 1.353 175.933 174.600 -0.033 0.000 0.951 334 S CA -0.008 58.196 58.200 0.007 0.000 0.954 334 S CB -0.595 62.599 63.200 -0.009 0.000 0.780 334 S HN 0.716 nan 8.310 nan 0.000 0.509 335 L N -0.125 121.035 121.223 -0.104 0.000 5.154 335 L HA -0.354 3.986 4.340 -0.000 0.000 0.053 335 L C 2.267 179.119 176.870 -0.030 0.000 3.137 335 L CA 1.451 56.155 54.840 -0.226 0.000 1.466 335 L CB -2.093 39.803 42.059 -0.272 0.000 2.980 335 L HN 0.429 nan 8.230 nan 0.000 0.938 336 G N -1.053 107.735 108.800 -0.021 0.000 2.462 336 G HA2 0.013 3.973 3.960 -0.000 0.000 0.220 336 G HA3 0.013 3.973 3.960 -0.000 0.000 0.220 336 G C 1.278 176.183 174.900 0.008 0.000 1.121 336 G CA 1.351 46.460 45.100 0.014 0.000 0.758 336 G HN 0.865 nan 8.290 nan 0.000 0.559 337 A N 0.329 123.149 122.820 -0.000 0.000 2.195 337 A HA 0.641 4.960 4.320 -0.000 0.000 0.210 337 A C 2.573 180.125 177.584 -0.053 0.000 1.165 337 A CA 1.294 53.318 52.037 -0.021 0.000 0.806 337 A CB -0.238 18.753 19.000 -0.016 0.000 0.847 337 A HN 0.543 nan 8.150 nan 0.000 0.482 338 A N 0.234 123.036 122.820 -0.029 0.000 1.883 338 A HA 0.045 4.365 4.320 -0.000 0.000 0.217 338 A C 2.374 179.893 177.584 -0.108 0.000 1.186 338 A CA 2.028 54.032 52.037 -0.055 0.000 0.624 338 A CB -1.402 17.585 19.000 -0.022 0.000 0.822 338 A HN 0.703 nan 8.150 nan 0.000 0.444 339 G N -0.860 107.885 108.800 -0.093 0.000 2.491 339 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.218 339 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.218 339 G C 1.677 176.487 174.900 -0.151 0.000 1.180 339 G CA 1.490 46.517 45.100 -0.121 0.000 0.774 339 G HN 0.667 nan 8.290 nan 0.000 0.562 340 V N 0.215 120.042 119.914 -0.144 0.000 2.453 340 V HA -0.130 3.990 4.120 -0.000 0.000 0.247 340 V C 2.766 178.704 176.094 -0.260 0.000 1.048 340 V CA 2.574 64.772 62.300 -0.170 0.000 1.049 340 V CB -0.292 31.454 31.823 -0.129 0.000 0.672 340 V HN 0.537 nan 8.190 nan 0.000 0.457 341 Q N -0.466 119.149 119.800 -0.309 0.000 2.084 341 Q HA -0.248 4.092 4.340 -0.000 0.000 0.202 341 Q C 2.165 177.584 176.000 -0.969 0.000 0.978 341 Q CA 2.113 57.575 55.803 -0.567 0.000 0.844 341 Q CB -0.140 28.332 28.738 -0.442 0.000 0.898 341 Q HN 0.714 nan 8.270 nan 0.000 0.426 342 E N 0.331 120.199 120.200 -0.554 0.000 2.208 342 E HA -0.102 4.248 4.350 -0.000 0.000 0.193 342 E C 1.863 178.333 176.600 -0.217 0.000 0.988 342 E CA 0.677 56.878 56.400 -0.332 0.000 0.828 342 E CB 0.004 29.645 29.700 -0.099 0.000 0.763 342 E HN 0.332 nan 8.360 nan 0.000 0.478 343 A N 0.957 123.641 122.820 -0.227 0.000 1.930 343 A HA -0.141 4.178 4.320 -0.000 0.000 0.217 343 A C 2.115 179.596 177.584 -0.171 0.000 1.175 343 A CA 0.879 52.823 52.037 -0.155 0.000 0.627 343 A CB -0.421 18.488 19.000 -0.153 0.000 0.815 343 A HN 0.142 nan 8.150 nan 0.000 0.443 344 I N -1.415 118.991 120.570 -0.274 0.000 2.252 344 I HA -0.258 3.911 4.170 -0.000 0.000 0.245 344 I C 2.289 178.339 176.117 -0.111 0.000 1.102 344 I CA 1.219 62.371 61.300 -0.247 0.000 1.385 344 I CB -0.413 37.407 38.000 -0.299 0.000 1.064 344 I HN 0.378 nan 8.210 nan 0.000 0.414 345 Y N 0.738 121.011 120.300 -0.046 0.000 2.181 345 Y HA -0.197 4.353 4.550 -0.000 0.000 0.288 345 Y C 2.940 178.812 175.900 -0.047 0.000 1.146 345 Y CA 0.836 58.921 58.100 -0.026 0.000 1.164 345 Y CB -1.355 37.100 38.460 -0.008 0.000 0.982 345 Y HN 0.098 nan 8.280 nan 0.000 0.515 346 S N 0.083 115.855 115.700 0.119 0.000 2.382 346 S HA -0.135 4.334 4.470 -0.000 0.000 0.228 346 S C 2.160 176.765 174.600 0.009 0.000 1.027 346 S CA 1.098 59.352 58.200 0.090 0.000 0.991 346 S CB -0.603 62.660 63.200 0.105 0.000 0.823 346 S HN 0.357 nan 8.310 nan 0.000 0.469 347 L N 0.932 122.143 121.223 -0.020 0.000 2.093 347 L HA -0.056 4.284 4.340 -0.000 0.000 0.208 347 L C 2.158 179.041 176.870 0.021 0.000 1.085 347 L CA 0.910 55.729 54.840 -0.034 0.000 0.755 347 L CB -0.508 41.459 42.059 -0.153 0.000 0.904 347 L HN 0.297 nan 8.230 nan 0.000 0.435 348 L N -1.149 120.105 121.223 0.052 0.000 2.093 348 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 348 L C 2.619 179.566 176.870 0.129 0.000 1.085 348 L CA 1.190 56.156 54.840 0.209 0.000 0.755 348 L CB -0.323 41.889 42.059 0.255 0.000 0.904 348 L HN 0.304 nan 8.230 nan 0.000 0.435 349 M N -0.790 118.685 119.600 -0.209 0.000 2.117 349 M HA -0.223 4.256 4.480 -0.000 0.000 0.262 349 M C 2.286 178.415 176.300 -0.286 0.000 1.065 349 M CA 1.571 56.475 55.300 -0.661 0.000 1.114 349 M CB -0.281 31.829 32.600 -0.815 0.000 1.361 349 M HN 0.205 nan 8.290 nan 0.000 0.408 350 L N 0.499 121.647 121.223 -0.126 0.000 2.093 350 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 350 L C 2.199 179.061 176.870 -0.014 0.000 1.085 350 L CA 1.946 56.757 54.840 -0.048 0.000 0.755 350 L CB -0.503 41.555 42.059 -0.002 0.000 0.904 350 L HN 0.211 nan 8.230 nan 0.000 0.435 351 E N -1.431 118.777 120.200 0.013 0.000 2.107 351 E HA -0.171 4.179 4.350 -0.000 0.000 0.191 351 E C 1.691 178.141 176.600 -0.249 0.000 0.982 351 E CA 1.350 57.707 56.400 -0.073 0.000 0.809 351 E CB -0.062 29.638 29.700 0.000 0.000 0.756 351 E HN 0.622 nan 8.360 nan 0.000 0.459 352 H N -1.273 117.890 119.070 0.156 0.000 2.586 352 H HA 0.291 4.847 4.556 -0.000 0.000 0.273 352 H C 0.488 175.949 175.328 0.222 0.000 0.997 352 H CA 0.504 56.680 56.048 0.212 0.000 1.177 352 H CB 0.721 30.679 29.762 0.326 0.000 1.471 352 H HN 0.251 nan 8.280 nan 0.000 0.538 353 G N 2.075 110.979 108.800 0.173 0.000 2.370 353 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.295 353 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.295 353 G C -0.279 174.739 174.900 0.197 0.000 1.045 353 G CA 0.695 45.863 45.100 0.113 0.000 1.199 353 G HN 0.503 nan 8.290 nan 0.000 0.513 354 F N -1.633 118.298 119.950 -0.031 0.000 2.719 354 F HA 0.793 5.320 4.527 -0.000 0.000 0.309 354 F C -0.951 174.749 175.800 -0.166 0.000 1.138 354 F CA -2.302 55.656 58.000 -0.071 0.000 0.943 354 F CB 1.100 40.074 39.000 -0.044 0.000 1.304 354 F HN 0.083 nan 8.300 nan 0.000 0.445 355 I N 2.929 123.410 120.570 -0.149 0.000 2.362 355 I HA 0.618 4.788 4.170 -0.000 0.000 0.289 355 I C 0.164 176.242 176.117 -0.065 0.000 0.994 355 I CA -1.078 59.981 61.300 -0.401 0.000 1.158 355 I CB 1.625 39.456 38.000 -0.281 0.000 1.315 355 I HN 0.969 nan 8.210 nan 0.000 0.451 356 A N 9.337 132.064 122.820 -0.155 0.000 2.425 356 A HA 0.478 4.798 4.320 -0.000 0.000 0.249 356 A C -2.313 175.302 177.584 0.052 0.000 1.084 356 A CA -1.018 51.085 52.037 0.110 0.000 0.781 356 A CB -0.315 18.728 19.000 0.071 0.000 1.019 356 A HN 0.437 nan 8.150 nan 0.000 0.490 357 P HA 0.134 nan 4.420 nan 0.000 0.277 357 P C -0.352 176.983 177.300 0.058 0.000 1.240 357 P CA -0.235 62.898 63.100 0.055 0.000 0.798 357 P CB 1.198 32.920 31.700 0.036 0.000 0.979 358 S N 2.365 118.112 115.700 0.079 0.000 2.415 358 S HA 0.382 4.852 4.470 -0.000 0.000 0.313 358 S C 0.593 175.232 174.600 0.065 0.000 1.067 358 S CA -0.814 57.444 58.200 0.096 0.000 1.099 358 S CB -1.294 62.011 63.200 0.174 0.000 0.991 358 S HN 0.343 nan 8.310 nan 0.000 0.491 359 I N 1.996 122.584 120.570 0.030 0.000 3.110 359 I HA 0.522 4.691 4.170 -0.000 0.000 0.314 359 I C 0.333 176.454 176.117 0.005 0.000 1.020 359 I CA -0.644 60.664 61.300 0.014 0.000 1.169 359 I CB 0.365 38.362 38.000 -0.005 0.000 1.437 359 I HN 0.509 nan 8.210 nan 0.000 0.595 360 N N 0.832 119.529 118.700 -0.005 0.000 2.782 360 N HA -0.168 4.572 4.740 -0.000 0.000 0.251 360 N C -0.632 174.877 175.510 -0.002 0.000 1.101 360 N CA 0.942 53.979 53.050 -0.022 0.000 0.764 360 N CB -1.553 36.897 38.487 -0.062 0.000 1.122 360 N HN 0.604 nan 8.380 nan 0.000 0.561 361 I N 1.169 121.757 120.570 0.029 0.000 2.269 361 I HA 0.065 4.235 4.170 -0.000 0.000 0.293 361 I C 1.386 177.533 176.117 0.050 0.000 1.106 361 I CA -0.088 61.245 61.300 0.054 0.000 1.248 361 I CB 0.569 38.617 38.000 0.081 0.000 1.444 361 I HN 0.033 nan 8.210 nan 0.000 0.497 362 E N 3.896 124.131 120.200 0.058 0.000 2.166 362 E HA 0.025 4.375 4.350 -0.000 0.000 0.192 362 E C 0.452 177.100 176.600 0.080 0.000 0.967 362 E CA 0.491 56.930 56.400 0.065 0.000 0.840 362 E CB 0.552 30.295 29.700 0.071 0.000 0.795 362 E HN 0.522 nan 8.360 nan 0.000 0.470 363 E N 1.275 121.535 120.200 0.100 0.000 2.316 363 E HA 0.154 4.504 4.350 -0.000 0.000 0.254 363 E C -1.425 175.212 176.600 0.061 0.000 0.902 363 E CA -0.587 55.866 56.400 0.088 0.000 0.801 363 E CB 1.073 30.854 29.700 0.135 0.000 1.270 363 E HN -0.069 nan 8.360 nan 0.000 0.414 364 L N 4.124 125.377 121.223 0.049 0.000 2.490 364 L HA 0.096 4.436 4.340 -0.000 0.000 0.274 364 L C 0.214 177.103 176.870 0.031 0.000 1.201 364 L CA 0.560 55.427 54.840 0.046 0.000 0.869 364 L CB 0.673 42.747 42.059 0.025 0.000 1.123 364 L HN 0.567 nan 8.230 nan 0.000 0.484 365 D N 3.412 123.839 120.400 0.045 0.000 2.443 365 D HA -0.061 4.579 4.640 -0.000 0.000 0.239 365 D C 0.799 177.110 176.300 0.019 0.000 1.136 365 D CA 0.178 54.196 54.000 0.029 0.000 0.879 365 D CB 0.904 41.745 40.800 0.069 0.000 1.195 365 D HN 0.717 nan 8.370 nan 0.000 0.443 366 E N 1.938 122.143 120.200 0.009 0.000 2.097 366 E HA -0.255 4.095 4.350 -0.000 0.000 0.196 366 E C 1.615 178.221 176.600 0.009 0.000 1.000 366 E CA 1.198 57.603 56.400 0.008 0.000 0.804 366 E CB 0.059 29.763 29.700 0.008 0.000 0.740 366 E HN 0.587 nan 8.360 nan 0.000 0.454 367 Q N -0.568 119.243 119.800 0.018 0.000 2.515 367 Q HA 0.034 4.374 4.340 -0.000 0.000 0.212 367 Q C 1.487 177.489 176.000 0.004 0.000 0.970 367 Q CA 0.632 56.446 55.803 0.019 0.000 0.941 367 Q CB 0.311 29.071 28.738 0.036 0.000 0.998 367 Q HN 0.201 nan 8.270 nan 0.000 0.518 368 A N 0.526 123.339 122.820 -0.012 0.000 2.308 368 A HA 0.416 4.736 4.320 -0.000 0.000 0.217 368 A C 0.918 178.461 177.584 -0.068 0.000 1.216 368 A CA -0.025 51.968 52.037 -0.072 0.000 0.864 368 A CB 0.218 19.151 19.000 -0.110 0.000 0.902 368 A HN 0.260 nan 8.150 nan 0.000 0.499 369 A N -0.873 121.927 122.820 -0.033 0.000 2.540 369 A HA 0.440 4.760 4.320 -0.000 0.000 0.239 369 A C 1.666 179.232 177.584 -0.030 0.000 1.061 369 A CA 0.760 52.781 52.037 -0.027 0.000 0.758 369 A CB -0.492 18.502 19.000 -0.011 0.000 0.991 369 A HN 1.923 nan 8.150 nan 0.000 0.502 370 G N 0.911 109.693 108.800 -0.030 0.000 2.268 370 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.240 370 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.240 370 G C 0.216 175.092 174.900 -0.039 0.000 1.010 370 G CA 0.331 45.415 45.100 -0.026 0.000 0.618 370 G HN 0.839 nan 8.290 nan 0.000 0.516 371 L N 0.666 121.852 121.223 -0.062 0.000 2.399 371 L HA 0.472 4.811 4.340 -0.000 0.000 0.266 371 L C 0.619 177.438 176.870 -0.086 0.000 1.114 371 L CA -0.822 53.968 54.840 -0.083 0.000 0.804 371 L CB 0.865 42.850 42.059 -0.123 0.000 1.146 371 L HN 0.154 nan 8.230 nan 0.000 0.451 372 N N 2.587 121.236 118.700 -0.084 0.000 2.868 372 N HA 0.256 4.996 4.740 -0.000 0.000 0.252 372 N C -0.821 174.649 175.510 -0.067 0.000 1.130 372 N CA -0.074 52.939 53.050 -0.062 0.000 1.026 372 N CB -0.128 38.332 38.487 -0.045 0.000 1.335 372 N HN 0.405 nan 8.380 nan 0.000 0.516 373 I N 2.970 123.492 120.570 -0.081 0.000 2.301 373 I HA 0.148 4.318 4.170 -0.000 0.000 0.292 373 I C 0.001 176.114 176.117 -0.007 0.000 1.046 373 I CA -0.975 60.280 61.300 -0.075 0.000 1.282 373 I CB 1.057 38.961 38.000 -0.160 0.000 1.409 373 I HN 0.029 nan 8.210 nan 0.000 0.484 374 V N 5.804 125.739 119.914 0.035 0.000 2.521 374 V HA 0.028 4.148 4.120 -0.000 0.000 0.286 374 V C 1.315 177.440 176.094 0.052 0.000 1.034 374 V CA 0.176 62.503 62.300 0.045 0.000 1.045 374 V CB 0.817 32.677 31.823 0.061 0.000 0.974 374 V HN 0.909 nan 8.190 nan 0.000 0.480 375 T N 0.351 114.928 114.554 0.037 0.000 3.044 375 T HA 0.255 4.605 4.350 -0.000 0.000 0.260 375 T C 0.220 174.937 174.700 0.029 0.000 1.019 375 T CA -0.155 61.967 62.100 0.038 0.000 0.921 375 T CB -0.101 68.786 68.868 0.032 0.000 1.053 375 T HN 0.832 nan 8.240 nan 0.000 0.533 376 E N 0.597 120.813 120.200 0.027 0.000 2.331 376 E HA 0.411 4.761 4.350 -0.000 0.000 0.275 376 E C -1.419 175.197 176.600 0.028 0.000 0.895 376 E CA -1.034 55.378 56.400 0.020 0.000 0.753 376 E CB 1.120 30.827 29.700 0.012 0.000 1.216 376 E HN -0.098 nan 8.360 nan 0.000 0.434 377 T N 2.565 117.134 114.554 0.024 0.000 2.849 377 T HA 0.080 4.430 4.350 -0.000 0.000 0.289 377 T C -0.384 174.345 174.700 0.048 0.000 1.010 377 T CA 0.522 62.650 62.100 0.047 0.000 1.161 377 T CB 0.135 68.996 68.868 -0.012 0.000 0.989 377 T HN 0.448 nan 8.240 nan 0.000 0.523 378 T N 4.138 118.743 114.554 0.085 0.000 2.840 378 T HA 0.251 4.601 4.350 -0.000 0.000 0.287 378 T C -0.490 174.266 174.700 0.094 0.000 0.991 378 T CA -0.943 61.194 62.100 0.061 0.000 0.964 378 T CB 1.198 70.086 68.868 0.035 0.000 0.954 378 T HN 0.454 nan 8.240 nan 0.000 0.438 379 D N 3.001 123.445 120.400 0.073 0.000 2.351 379 D HA 0.396 5.036 4.640 -0.000 0.000 0.251 379 D C 0.343 176.677 176.300 0.057 0.000 1.137 379 D CA 0.059 54.113 54.000 0.089 0.000 0.879 379 D CB 1.138 41.973 40.800 0.057 0.000 1.181 379 D HN 0.428 nan 8.370 nan 0.000 0.448 380 R N 1.580 122.113 120.500 0.055 0.000 2.736 380 R HA 0.064 4.403 4.340 -0.000 0.000 0.250 380 R C -1.303 175.008 176.300 0.018 0.000 1.098 380 R CA -0.572 55.543 56.100 0.025 0.000 0.978 380 R CB 1.192 31.498 30.300 0.009 0.000 1.263 380 R HN 0.276 nan 8.270 nan 0.000 0.460 381 E N 4.555 124.765 120.200 0.016 0.000 2.299 381 E HA 0.160 4.510 4.350 -0.000 0.000 0.272 381 E C -0.406 176.195 176.600 0.002 0.000 1.043 381 E CA 0.078 56.485 56.400 0.011 0.000 0.895 381 E CB 0.865 30.572 29.700 0.011 0.000 1.011 381 E HN 0.293 nan 8.360 nan 0.000 0.432 382 L N 2.262 123.481 121.223 -0.008 0.000 2.331 382 L HA 0.328 4.667 4.340 -0.000 0.000 0.275 382 L C 0.895 177.767 176.870 0.003 0.000 1.022 382 L CA -0.334 54.503 54.840 -0.005 0.000 0.812 382 L CB 1.775 43.817 42.059 -0.029 0.000 1.257 382 L HN 0.571 nan 8.230 nan 0.000 0.435 383 T N -1.412 113.150 114.554 0.014 0.000 3.075 383 T HA 0.095 4.445 4.350 -0.000 0.000 0.251 383 T C 0.234 174.947 174.700 0.021 0.000 0.979 383 T CA 0.304 62.411 62.100 0.013 0.000 1.033 383 T CB 0.696 69.571 68.868 0.012 0.000 1.104 383 T HN 0.576 nan 8.240 nan 0.000 0.473 384 T N 3.005 117.578 114.554 0.032 0.000 2.841 384 T HA 0.687 5.037 4.350 -0.000 0.000 0.285 384 T C -0.745 173.988 174.700 0.055 0.000 0.991 384 T CA -0.690 61.434 62.100 0.040 0.000 0.966 384 T CB 1.978 70.872 68.868 0.042 0.000 0.962 384 T HN 0.233 nan 8.240 nan 0.000 0.438 385 V N 1.125 121.074 119.914 0.058 0.000 2.914 385 V HA 0.860 4.980 4.120 -0.000 0.000 0.314 385 V C -0.692 175.420 176.094 0.030 0.000 1.084 385 V CA -1.220 61.123 62.300 0.071 0.000 0.963 385 V CB 2.187 34.096 31.823 0.145 0.000 1.025 385 V HN 0.970 nan 8.190 nan 0.000 0.432 386 M N 2.904 122.489 119.600 -0.026 0.000 2.530 386 M HA 0.752 5.232 4.480 -0.000 0.000 0.307 386 M C -1.005 175.241 176.300 -0.090 0.000 1.161 386 M CA -0.298 54.986 55.300 -0.027 0.000 0.903 386 M CB 2.225 34.837 32.600 0.020 0.000 1.711 386 M HN 0.988 nan 8.290 nan 0.000 0.451 387 S N 3.170 118.831 115.700 -0.064 0.000 2.672 387 S HA 0.574 5.044 4.470 -0.000 0.000 0.291 387 S C -1.447 173.076 174.600 -0.128 0.000 1.145 387 S CA -0.783 57.356 58.200 -0.101 0.000 1.013 387 S CB 0.983 64.135 63.200 -0.080 0.000 1.017 387 S HN 0.841 nan 8.310 nan 0.000 0.487 388 N N 2.099 120.679 118.700 -0.199 0.000 2.456 388 N HA 0.568 5.308 4.740 -0.000 0.000 0.296 388 N C -1.285 173.897 175.510 -0.547 0.000 1.102 388 N CA -0.391 52.418 53.050 -0.401 0.000 0.924 388 N CB 1.832 40.019 38.487 -0.500 0.000 1.186 388 N HN 0.477 nan 8.380 nan 0.000 0.492 389 S N 1.448 116.704 115.700 -0.741 0.000 2.776 389 S HA 0.535 5.005 4.470 -0.000 0.000 0.284 389 S C -1.319 172.879 174.600 -0.671 0.000 1.160 389 S CA -0.605 57.251 58.200 -0.573 0.000 1.051 389 S CB 0.322 63.351 63.200 -0.284 0.000 1.037 389 S HN 0.276 nan 8.310 nan 0.000 0.485 390 F N 1.166 120.743 119.950 -0.622 0.000 2.522 390 F HA 0.876 5.403 4.527 -0.000 0.000 0.324 390 F C 0.812 176.438 175.800 -0.291 0.000 1.077 390 F CA -0.983 56.742 58.000 -0.459 0.000 0.944 390 F CB 1.781 40.486 39.000 -0.490 0.000 1.175 390 F HN 0.633 nan 8.300 nan 0.000 0.468 391 G N 0.773 109.671 108.800 0.163 0.000 2.658 391 G HA2 0.554 4.514 3.960 -0.000 0.000 0.292 391 G HA3 0.554 4.514 3.960 -0.000 0.000 0.292 391 G C -1.216 173.896 174.900 0.353 0.000 1.320 391 G CA -0.874 44.344 45.100 0.196 0.000 0.933 391 G HN 0.473 nan 8.290 nan 0.000 0.476 392 F N 0.105 120.157 119.950 0.170 0.000 2.595 392 F HA 0.286 4.813 4.527 -0.000 0.000 0.359 392 F C 1.675 177.541 175.800 0.110 0.000 1.147 392 F CA 1.249 59.338 58.000 0.148 0.000 1.341 392 F CB 0.929 40.027 39.000 0.164 0.000 1.104 392 F HN 0.883 nan 8.300 nan 0.000 0.603 393 G N 1.144 110.095 108.800 0.251 0.000 2.157 393 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.248 393 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.248 393 G C 0.672 175.642 174.900 0.116 0.000 0.979 393 G CA 0.093 45.282 45.100 0.149 0.000 0.650 393 G HN 1.742 nan 8.290 nan 0.000 0.529 394 G N -1.056 107.820 108.800 0.126 0.000 2.273 394 G HA2 0.071 4.031 3.960 -0.000 0.000 0.280 394 G HA3 0.071 4.031 3.960 -0.000 0.000 0.280 394 G C 0.382 175.335 174.900 0.090 0.000 1.047 394 G CA 1.410 46.558 45.100 0.079 0.000 0.869 394 G HN 1.990 nan 8.290 nan 0.000 0.502 395 T N 0.322 114.965 114.554 0.148 0.000 2.767 395 T HA 0.573 4.923 4.350 -0.000 0.000 0.288 395 T C 0.068 174.916 174.700 0.246 0.000 0.963 395 T CA -0.589 61.626 62.100 0.190 0.000 1.019 395 T CB 0.363 69.368 68.868 0.228 0.000 0.923 395 T HN 0.327 nan 8.240 nan 0.000 0.468 396 N N 2.756 121.610 118.700 0.256 0.000 2.272 396 N HA 0.736 5.476 4.740 -0.000 0.000 0.305 396 N C -1.299 174.350 175.510 0.231 0.000 1.103 396 N CA -0.659 52.580 53.050 0.315 0.000 0.791 396 N CB 2.139 40.765 38.487 0.231 0.000 1.356 396 N HN 0.765 nan 8.380 nan 0.000 0.486 397 A N 0.579 123.456 122.820 0.095 0.000 2.488 397 A HA 0.723 5.043 4.320 -0.000 0.000 0.298 397 A C -0.970 176.600 177.584 -0.023 0.000 1.044 397 A CA -0.500 51.511 52.037 -0.044 0.000 0.693 397 A CB 1.376 20.116 19.000 -0.433 0.000 1.272 397 A HN 0.447 nan 8.150 nan 0.000 0.402 398 T N 2.326 116.914 114.554 0.056 0.000 2.921 398 T HA 0.618 4.968 4.350 -0.000 0.000 0.297 398 T C -0.904 173.864 174.700 0.113 0.000 1.013 398 T CA -0.255 61.873 62.100 0.047 0.000 0.990 398 T CB 0.929 69.841 68.868 0.073 0.000 1.023 398 T HN 0.510 nan 8.240 nan 0.000 0.447 399 L N 2.718 123.977 121.223 0.061 0.000 2.365 399 L HA 0.789 5.129 4.340 -0.000 0.000 0.273 399 L C -0.839 176.058 176.870 0.045 0.000 1.000 399 L CA -1.153 53.730 54.840 0.073 0.000 0.819 399 L CB 2.088 44.153 42.059 0.010 0.000 1.284 399 L HN 0.331 nan 8.230 nan 0.000 0.418 400 V N 3.841 123.790 119.914 0.060 0.000 2.487 400 V HA 0.534 4.653 4.120 -0.000 0.000 0.298 400 V C -0.140 175.976 176.094 0.036 0.000 1.028 400 V CA -0.351 61.978 62.300 0.049 0.000 0.860 400 V CB 1.828 33.689 31.823 0.064 0.000 0.991 400 V HN 0.718 nan 8.190 nan 0.000 0.427 401 M N 4.861 124.477 119.600 0.026 0.000 2.465 401 M HA 0.685 5.165 4.480 -0.000 0.000 0.316 401 M C -0.573 175.740 176.300 0.022 0.000 1.121 401 M CA -0.504 54.806 55.300 0.018 0.000 0.934 401 M CB 2.779 35.382 32.600 0.005 0.000 1.692 401 M HN 0.578 nan 8.290 nan 0.000 0.444 402 R N 1.255 121.765 120.500 0.016 0.000 2.673 402 R HA 0.461 4.801 4.340 -0.000 0.000 0.281 402 R C -1.165 175.138 176.300 0.004 0.000 0.991 402 R CA -0.791 55.318 56.100 0.014 0.000 0.896 402 R CB 2.088 32.397 30.300 0.015 0.000 1.201 402 R HN 0.652 nan 8.270 nan 0.000 0.457 403 K N 2.110 122.511 120.400 0.002 0.000 2.469 403 K HA 0.020 4.340 4.320 -0.000 0.000 0.274 403 K C -0.397 176.192 176.600 -0.018 0.000 0.983 403 K CA -0.101 56.179 56.287 -0.011 0.000 0.974 403 K CB 0.423 32.915 32.500 -0.012 0.000 0.913 403 K HN 0.245 nan 8.250 nan 0.000 0.493 404 L N 3.551 124.753 121.223 -0.034 0.000 2.292 404 L HA 0.130 4.470 4.340 -0.000 0.000 0.284 404 L C -0.793 176.057 176.870 -0.032 0.000 1.065 404 L CA -0.260 54.560 54.840 -0.035 0.000 0.806 404 L CB 0.829 42.857 42.059 -0.050 0.000 1.175 404 L HN 0.357 nan 8.230 nan 0.000 0.431 405 K N 4.069 124.455 120.400 -0.023 0.000 2.440 405 K HA 0.142 4.462 4.320 -0.000 0.000 0.275 405 K C 0.041 176.627 176.600 -0.024 0.000 1.082 405 K CA 0.456 56.732 56.287 -0.019 0.000 1.135 405 K CB -0.504 31.987 32.500 -0.014 0.000 0.864 405 K HN 0.673 nan 8.250 nan 0.000 0.479 406 D N 0.000 120.386 120.400 -0.023 0.000 6.856 406 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 406 D CA 0.000 53.986 54.000 -0.024 0.000 0.868 406 D CB 0.000 40.788 40.800 -0.020 0.000 0.688 406 D HN 0.000 nan 8.370 nan 0.000 0.683