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 3oee_1_M DATA FIRST_RESID 6 DATA SEQUENCE STPITGKVTA VIGAIVDVHF EQSELPAILN ALEIKTPQGK LVLEVAQHLG DATA SEQUENCE ENTVRTIAMD GTEGLVRGEK VLDTGGPISV PVGRETLGRI INVIGEPIDE DATA SEQUENCE RGPIKSKLRK PIHADPPSFA EQSTSAEILE TGIKVVDLLA PYARGGKIGL DATA SEQUENCE FGGAGVGKTV FIQELINNIA KAHGGFSVFT GVGERTREGN DLYREMKETG DATA SEQUENCE VINLEGESKV ALVFGQMNEP PGARARVALT GLTIAEYFRD EEGQDVLLFI DATA SEQUENCE DNIFRFTQAG SEVSALLGRI PSAVGYQPTL ATDMGLLQER ITTTKKGSVT DATA SEQUENCE SVQAVYVPAD DLTDPAPATT FAHLDATTVL SRGISELGIY PAVDPLDSKS DATA SEQUENCE RLLDAAVVGQ EHYDVASKVQ ETLQTYKSLQ DIIAILGMDE LSEQDKLTVE DATA SEQUENCE RARKIQRFLS QPFAVAEVFT GIPGKLVRLK DTVASFKAVL EGKYDNIPEH DATA SEQUENCE AFYMVGGIED VVAKAEKLAA 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 6 S HA 0.000 nan 4.470 nan 0.000 0.327 6 S C 0.000 174.605 174.600 0.009 0.000 1.055 6 S CA 0.000 58.204 58.200 0.006 0.000 1.107 6 S CB 0.000 63.203 63.200 0.005 0.000 0.593 7 T N 1.477 116.037 114.554 0.011 0.000 2.916 7 T HA 0.782 5.132 4.350 -0.000 0.000 0.298 7 T C -2.708 172.005 174.700 0.022 0.000 1.031 7 T CA -1.170 60.939 62.100 0.016 0.000 0.993 7 T CB 1.428 70.306 68.868 0.016 0.000 1.045 7 T HN 0.104 nan 8.240 nan 0.000 0.454 8 P HA 0.614 nan 4.420 nan 0.000 0.277 8 P C -0.967 176.368 177.300 0.058 0.000 1.271 8 P CA -0.789 62.334 63.100 0.039 0.000 0.795 8 P CB 0.857 32.579 31.700 0.036 0.000 1.101 9 I N -0.273 120.351 120.570 0.091 0.000 2.436 9 I HA 0.227 4.397 4.170 -0.000 0.000 0.289 9 I C -0.097 176.156 176.117 0.226 0.000 1.010 9 I CA -0.284 61.108 61.300 0.153 0.000 1.098 9 I CB 2.122 40.212 38.000 0.151 0.000 1.266 9 I HN 0.238 nan 8.210 nan 0.000 0.434 10 T N 4.442 119.085 114.554 0.148 0.000 2.797 10 T HA 0.661 5.010 4.350 -0.000 0.000 0.279 10 T C 0.048 174.593 174.700 -0.258 0.000 0.991 10 T CA -0.470 61.629 62.100 -0.001 0.000 0.979 10 T CB 1.650 70.507 68.868 -0.018 0.000 0.943 10 T HN 0.787 nan 8.240 nan 0.000 0.444 11 G N 2.145 110.578 108.800 -0.612 0.000 2.788 11 G HA2 0.763 4.723 3.960 -0.000 0.000 0.293 11 G HA3 0.763 4.723 3.960 -0.000 0.000 0.293 11 G C -1.365 173.275 174.900 -0.434 0.000 1.305 11 G CA -0.695 43.815 45.100 -0.985 0.000 1.005 11 G HN 0.579 nan 8.290 nan 0.000 0.496 12 K N -0.601 119.616 120.400 -0.305 0.000 2.385 12 K HA 0.546 4.866 4.320 -0.000 0.000 0.248 12 K C -0.623 175.917 176.600 -0.101 0.000 0.955 12 K CA -0.722 55.476 56.287 -0.148 0.000 0.816 12 K CB 2.839 35.284 32.500 -0.092 0.000 1.250 12 K HN 0.263 nan 8.250 nan 0.000 0.434 13 V N 1.959 121.834 119.914 -0.065 0.000 2.637 13 V HA 0.008 4.128 4.120 -0.000 0.000 0.296 13 V C 1.219 177.300 176.094 -0.021 0.000 1.046 13 V CA 0.449 62.730 62.300 -0.030 0.000 1.066 13 V CB 0.982 32.792 31.823 -0.021 0.000 0.968 13 V HN 1.109 nan 8.190 nan 0.000 0.483 14 T N -0.139 114.415 114.554 -0.001 0.000 2.958 14 T HA 0.617 4.967 4.350 -0.000 0.000 0.256 14 T C 0.246 174.948 174.700 0.003 0.000 0.983 14 T CA 0.471 62.570 62.100 -0.002 0.000 0.924 14 T CB 0.615 69.494 68.868 0.019 0.000 1.136 14 T HN 1.199 nan 8.240 nan 0.000 0.506 15 A N 0.501 123.328 122.820 0.010 0.000 2.555 15 A HA 0.661 4.981 4.320 -0.000 0.000 0.297 15 A C -1.650 175.942 177.584 0.013 0.000 1.060 15 A CA -0.656 51.388 52.037 0.012 0.000 0.710 15 A CB 1.699 20.709 19.000 0.018 0.000 1.282 15 A HN 0.344 nan 8.150 nan 0.000 0.399 16 V N 3.668 123.588 119.914 0.010 0.000 2.398 16 V HA 0.407 4.527 4.120 -0.000 0.000 0.282 16 V C -0.745 175.355 176.094 0.009 0.000 1.014 16 V CA -0.049 62.258 62.300 0.010 0.000 0.838 16 V CB 1.031 32.858 31.823 0.007 0.000 1.018 16 V HN 0.715 nan 8.190 nan 0.000 0.432 17 I N 4.365 124.942 120.570 0.011 0.000 2.437 17 I HA 0.557 4.727 4.170 -0.000 0.000 0.279 17 I C 1.256 177.378 176.117 0.009 0.000 1.028 17 I CA -0.059 61.247 61.300 0.009 0.000 1.142 17 I CB 1.182 39.188 38.000 0.009 0.000 1.266 17 I HN 0.762 nan 8.210 nan 0.000 0.461 18 G N 5.205 114.009 108.800 0.007 0.000 2.685 18 G HA2 -0.415 3.545 3.960 -0.000 0.000 0.329 18 G HA3 -0.415 3.545 3.960 -0.000 0.000 0.329 18 G C 1.003 175.909 174.900 0.009 0.000 1.271 18 G CA 0.765 45.869 45.100 0.007 0.000 1.003 18 G HN 0.776 nan 8.290 nan 0.000 0.549 19 A N -0.637 122.188 122.820 0.008 0.000 2.209 19 A HA 0.446 4.766 4.320 -0.000 0.000 0.212 19 A C 1.061 178.655 177.584 0.015 0.000 1.158 19 A CA 1.258 53.301 52.037 0.011 0.000 0.742 19 A CB -0.163 18.841 19.000 0.007 0.000 0.790 19 A HN 0.571 nan 8.150 nan 0.000 0.472 20 I N 0.535 121.114 120.570 0.015 0.000 2.392 20 I HA 0.419 4.589 4.170 -0.000 0.000 0.295 20 I C -0.569 175.563 176.117 0.025 0.000 0.985 20 I CA -0.890 60.422 61.300 0.021 0.000 1.221 20 I CB 1.297 39.308 38.000 0.018 0.000 1.366 20 I HN -0.140 nan 8.210 nan 0.000 0.467 21 V N 5.042 124.976 119.914 0.033 0.000 2.623 21 V HA 0.393 4.513 4.120 -0.000 0.000 0.304 21 V C -0.820 175.303 176.094 0.050 0.000 1.054 21 V CA -0.812 61.509 62.300 0.036 0.000 0.882 21 V CB 2.434 34.278 31.823 0.035 0.000 1.002 21 V HN 0.575 nan 8.190 nan 0.000 0.424 22 D N 2.806 123.234 120.400 0.047 0.000 2.168 22 D HA 0.688 5.328 4.640 -0.000 0.000 0.246 22 D C -0.679 175.660 176.300 0.064 0.000 1.050 22 D CA -0.068 53.970 54.000 0.062 0.000 0.857 22 D CB 2.331 43.164 40.800 0.054 0.000 1.169 22 D HN 0.285 nan 8.370 nan 0.000 0.453 23 V N 2.381 122.352 119.914 0.095 0.000 2.638 23 V HA 0.183 4.303 4.120 -0.000 0.000 0.306 23 V C -0.325 175.834 176.094 0.107 0.000 1.052 23 V CA -0.892 61.449 62.300 0.067 0.000 0.885 23 V CB 2.134 34.008 31.823 0.086 0.000 0.999 23 V HN 0.561 nan 8.190 nan 0.000 0.424 24 H N 4.068 123.089 119.070 -0.082 0.000 2.517 24 H HA 0.569 5.125 4.556 -0.000 0.000 0.317 24 H C -1.466 173.751 175.328 -0.185 0.000 1.080 24 H CA -0.077 55.943 56.048 -0.047 0.000 1.301 24 H CB 1.193 30.924 29.762 -0.052 0.000 1.425 24 H HN 0.487 nan 8.280 nan 0.000 0.471 25 F N 1.562 121.253 119.950 -0.431 0.000 2.695 25 F HA 0.292 4.819 4.527 -0.000 0.000 0.392 25 F C 0.566 176.132 175.800 -0.391 0.000 1.209 25 F CA -0.710 57.122 58.000 -0.279 0.000 1.138 25 F CB 0.658 39.538 39.000 -0.199 0.000 1.557 25 F HN 0.453 nan 8.300 nan 0.000 0.496 26 E N -0.001 120.236 120.200 0.063 0.000 2.235 26 E HA 0.178 4.528 4.350 -0.000 0.000 0.265 26 E C -1.179 175.412 176.600 -0.015 0.000 0.940 26 E CA -1.091 55.316 56.400 0.012 0.000 0.819 26 E CB 1.314 31.050 29.700 0.060 0.000 1.206 26 E HN 0.329 nan 8.360 nan 0.000 0.409 27 Q N 1.553 121.347 119.800 -0.010 0.000 3.836 27 Q HA -0.195 4.145 4.340 -0.000 0.000 0.390 27 Q C -0.140 175.843 176.000 -0.028 0.000 1.040 27 Q CA 1.073 56.866 55.803 -0.017 0.000 1.322 27 Q CB -0.924 27.816 28.738 0.003 0.000 1.002 27 Q HN 0.724 nan 8.270 nan 0.000 0.457 28 S N 2.159 117.826 115.700 -0.055 0.000 3.486 28 S HA -0.291 4.179 4.470 -0.000 0.000 0.371 28 S C -0.195 174.366 174.600 -0.065 0.000 1.001 28 S CA 1.548 59.708 58.200 -0.066 0.000 1.164 28 S CB -1.880 61.295 63.200 -0.042 0.000 0.911 28 S HN 0.869 nan 8.310 nan 0.000 0.472 29 E N -0.245 119.912 120.200 -0.072 0.000 3.388 29 E HA 0.574 4.924 4.350 -0.000 0.000 0.214 29 E C -0.051 176.430 176.600 -0.199 0.000 1.040 29 E CA -0.854 55.499 56.400 -0.079 0.000 1.327 29 E CB 0.297 29.993 29.700 -0.008 0.000 1.243 29 E HN 0.661 nan 8.360 nan 0.000 0.444 30 L N 2.287 123.329 121.223 -0.302 0.000 2.350 30 L HA 0.404 4.744 4.340 -0.000 0.000 0.275 30 L C -1.761 174.812 176.870 -0.496 0.000 1.099 30 L CA -2.230 52.260 54.840 -0.584 0.000 0.808 30 L CB 0.357 42.061 42.059 -0.592 0.000 1.149 30 L HN 0.151 nan 8.230 nan 0.000 0.442 31 P HA 0.125 nan 4.420 nan 0.000 0.271 31 P C -0.747 176.521 177.300 -0.054 0.000 1.218 31 P CA -0.441 62.469 63.100 -0.317 0.000 0.780 31 P CB 0.889 32.380 31.700 -0.348 0.000 0.901 32 A N 3.766 126.578 122.820 -0.013 0.000 2.445 32 A HA 0.226 4.546 4.320 -0.000 0.000 0.242 32 A C 0.671 178.248 177.584 -0.011 0.000 1.075 32 A CA -0.523 51.528 52.037 0.023 0.000 0.777 32 A CB -0.517 18.469 19.000 -0.023 0.000 1.013 32 A HN 0.554 nan 8.150 nan 0.000 0.493 33 I N 1.398 121.890 120.570 -0.131 0.000 2.845 33 I HA -0.102 4.068 4.170 -0.000 0.000 0.296 33 I C 0.863 176.912 176.117 -0.113 0.000 1.216 33 I CA 0.953 62.158 61.300 -0.158 0.000 1.438 33 I CB 0.085 37.927 38.000 -0.263 0.000 1.342 33 I HN 0.756 nan 8.210 nan 0.000 0.577 34 L N 2.014 123.185 121.223 -0.086 0.000 3.033 34 L HA -0.226 4.114 4.340 -0.000 0.000 0.444 34 L C 0.251 177.137 176.870 0.028 0.000 0.734 34 L CA 0.016 54.808 54.840 -0.079 0.000 2.664 34 L CB -1.313 40.624 42.059 -0.203 0.000 1.041 34 L HN 0.668 nan 8.230 nan 0.000 0.631 35 N N 1.332 120.041 118.700 0.015 0.000 2.454 35 N HA 0.422 5.162 4.740 -0.000 0.000 0.254 35 N C 0.279 175.820 175.510 0.052 0.000 1.228 35 N CA 1.013 54.081 53.050 0.030 0.000 0.900 35 N CB 0.805 39.293 38.487 0.002 0.000 1.089 35 N HN 0.313 nan 8.380 nan 0.000 0.449 36 A N 2.631 125.483 122.820 0.053 0.000 2.320 36 A HA 0.545 4.865 4.320 -0.000 0.000 0.287 36 A C -0.364 177.256 177.584 0.060 0.000 1.181 36 A CA -0.441 51.629 52.037 0.056 0.000 0.831 36 A CB -0.030 18.996 19.000 0.043 0.000 1.102 36 A HN 0.620 nan 8.150 nan 0.000 0.513 37 L N 1.773 123.040 121.223 0.074 0.000 2.333 37 L HA 0.603 4.943 4.340 -0.000 0.000 0.269 37 L C -0.010 176.902 176.870 0.069 0.000 1.010 37 L CA -0.572 54.324 54.840 0.094 0.000 0.818 37 L CB 1.973 44.118 42.059 0.144 0.000 1.306 37 L HN 0.708 nan 8.230 nan 0.000 0.430 38 E N 2.091 122.329 120.200 0.064 0.000 2.222 38 E HA 0.616 4.966 4.350 -0.000 0.000 0.267 38 E C -1.273 175.346 176.600 0.033 0.000 0.884 38 E CA -0.587 55.837 56.400 0.042 0.000 0.764 38 E CB 3.108 32.828 29.700 0.033 0.000 1.169 38 E HN 0.385 nan 8.360 nan 0.000 0.413 39 I N 2.140 122.724 120.570 0.023 0.000 2.530 39 I HA 0.270 4.440 4.170 -0.000 0.000 0.297 39 I C -0.285 175.837 176.117 0.009 0.000 1.011 39 I CA -1.102 60.204 61.300 0.011 0.000 1.107 39 I CB 1.701 39.706 38.000 0.008 0.000 1.285 39 I HN 0.217 nan 8.210 nan 0.000 0.436 40 K N 4.646 125.049 120.400 0.004 0.000 2.285 40 K HA 0.303 4.623 4.320 -0.000 0.000 0.286 40 K C -0.315 176.286 176.600 0.002 0.000 1.072 40 K CA -0.223 56.066 56.287 0.003 0.000 0.913 40 K CB 0.551 33.051 32.500 0.001 0.000 1.067 40 K HN 0.706 nan 8.250 nan 0.000 0.479 41 T N 1.989 116.545 114.554 0.003 0.000 2.944 41 T HA 0.406 4.756 4.350 -0.000 0.000 0.284 41 T C -1.815 172.886 174.700 0.001 0.000 1.010 41 T CA -1.949 60.153 62.100 0.002 0.000 1.025 41 T CB 1.287 70.157 68.868 0.004 0.000 1.079 41 T HN 0.352 nan 8.240 nan 0.000 0.516 42 P HA 0.111 nan 4.420 nan 0.000 0.226 42 P C 1.700 179.001 177.300 0.001 0.000 1.153 42 P CA 0.974 64.075 63.100 0.000 0.000 0.777 42 P CB -0.123 31.577 31.700 -0.000 0.000 0.794 43 Q N -0.473 119.327 119.800 0.001 0.000 2.107 43 Q HA 0.407 4.747 4.340 -0.000 0.000 0.195 43 Q C 1.658 177.659 176.000 0.002 0.000 0.964 43 Q CA 1.611 57.415 55.803 0.002 0.000 0.833 43 Q CB -0.914 27.825 28.738 0.002 0.000 0.910 43 Q HN 0.332 nan 8.270 nan 0.000 0.465 44 G N -0.689 108.113 108.800 0.003 0.000 3.454 44 G HA2 0.401 4.361 3.960 -0.000 0.000 0.162 44 G HA3 0.401 4.361 3.960 -0.000 0.000 0.162 44 G C -0.854 174.048 174.900 0.004 0.000 1.223 44 G CA 0.377 45.478 45.100 0.003 0.000 1.394 44 G HN 0.694 nan 8.290 nan 0.000 0.709 45 K N -0.454 119.950 120.400 0.006 0.000 2.527 45 K HA 0.706 5.026 4.320 -0.000 0.000 0.260 45 K C -2.171 174.436 176.600 0.011 0.000 0.937 45 K CA -0.816 55.476 56.287 0.008 0.000 0.826 45 K CB 2.694 35.200 32.500 0.009 0.000 1.359 45 K HN 0.513 nan 8.250 nan 0.000 0.434 46 L N 2.743 123.974 121.223 0.013 0.000 2.287 46 L HA 0.368 4.708 4.340 -0.000 0.000 0.287 46 L C -1.325 175.559 176.870 0.023 0.000 1.022 46 L CA -0.521 54.329 54.840 0.017 0.000 0.814 46 L CB 1.671 43.739 42.059 0.016 0.000 1.217 46 L HN 0.530 nan 8.230 nan 0.000 0.420 47 V N 6.661 126.589 119.914 0.024 0.000 2.407 47 V HA 0.421 4.541 4.120 -0.000 0.000 0.278 47 V C 0.198 176.315 176.094 0.037 0.000 1.037 47 V CA -0.483 61.835 62.300 0.031 0.000 0.900 47 V CB 1.187 33.025 31.823 0.026 0.000 0.983 47 V HN 0.604 nan 8.190 nan 0.000 0.459 48 L N 4.084 125.336 121.223 0.048 0.000 2.334 48 L HA 0.657 4.997 4.340 -0.000 0.000 0.273 48 L C -0.022 176.887 176.870 0.065 0.000 1.013 48 L CA -0.465 54.409 54.840 0.056 0.000 0.816 48 L CB 2.023 44.121 42.059 0.065 0.000 1.278 48 L HN 0.607 nan 8.230 nan 0.000 0.431 49 E N 1.517 121.757 120.200 0.066 0.000 2.176 49 E HA 0.364 4.714 4.350 -0.000 0.000 0.267 49 E C -1.265 175.374 176.600 0.065 0.000 0.893 49 E CA -0.779 55.665 56.400 0.073 0.000 0.761 49 E CB 2.150 31.905 29.700 0.092 0.000 1.133 49 E HN 0.326 nan 8.360 nan 0.000 0.409 50 V N 3.836 123.788 119.914 0.062 0.000 2.529 50 V HA 0.104 4.224 4.120 -0.000 0.000 0.292 50 V C 0.931 177.039 176.094 0.023 0.000 1.028 50 V CA 0.781 63.117 62.300 0.060 0.000 1.074 50 V CB 0.822 32.683 31.823 0.065 0.000 0.958 50 V HN 0.867 nan 8.190 nan 0.000 0.481 51 A N 4.011 126.847 122.820 0.026 0.000 2.070 51 A HA 0.340 4.660 4.320 -0.000 0.000 0.202 51 A C 0.704 178.270 177.584 -0.030 0.000 1.277 51 A CA 0.244 52.277 52.037 -0.007 0.000 0.872 51 A CB 0.381 19.386 19.000 0.008 0.000 0.933 51 A HN 0.773 nan 8.150 nan 0.000 0.475 52 Q N -1.035 118.772 119.800 0.011 0.000 2.435 52 Q HA 0.355 4.695 4.340 -0.000 0.000 0.282 52 Q C -1.758 174.329 176.000 0.144 0.000 1.020 52 Q CA -0.552 55.256 55.803 0.007 0.000 0.820 52 Q CB 1.820 30.574 28.738 0.026 0.000 1.436 52 Q HN 0.647 nan 8.270 nan 0.000 0.395 53 H N 1.948 121.009 119.070 -0.015 0.000 2.641 53 H HA 0.241 4.797 4.556 -0.000 0.000 0.295 53 H C 0.582 175.909 175.328 -0.000 0.000 1.070 53 H CA -0.331 55.710 56.048 -0.012 0.000 1.257 53 H CB 1.004 30.749 29.762 -0.028 0.000 1.393 53 H HN 0.409 nan 8.280 nan 0.000 0.464 54 L N 2.826 124.124 121.223 0.125 0.000 2.395 54 L HA 0.137 4.476 4.340 -0.000 0.000 0.218 54 L C 1.118 178.024 176.870 0.060 0.000 1.130 54 L CA 0.585 55.471 54.840 0.076 0.000 0.826 54 L CB 0.011 42.110 42.059 0.066 0.000 0.941 54 L HN 0.901 nan 8.230 nan 0.000 0.451 55 G N -0.202 108.632 108.800 0.056 0.000 2.515 55 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.686 55 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.686 55 G C -0.154 174.762 174.900 0.027 0.000 1.274 55 G CA -0.587 44.535 45.100 0.036 0.000 0.874 55 G HN 0.259 nan 8.290 nan 0.000 0.631 56 E N 0.372 120.585 120.200 0.021 0.000 2.269 56 E HA -0.278 4.072 4.350 -0.000 0.000 0.223 56 E C 0.754 177.363 176.600 0.015 0.000 1.244 56 E CA 0.641 57.062 56.400 0.035 0.000 0.713 56 E CB -1.311 28.428 29.700 0.065 0.000 1.178 56 E HN 1.047 nan 8.360 nan 0.000 0.370 57 N N -1.509 117.152 118.700 -0.065 0.000 2.708 57 N HA -0.169 4.571 4.740 -0.000 0.000 0.249 57 N C -0.661 174.753 175.510 -0.160 0.000 1.097 57 N CA 1.703 54.649 53.050 -0.174 0.000 0.710 57 N CB -1.128 37.183 38.487 -0.293 0.000 1.032 57 N HN 0.231 nan 8.380 nan 0.000 0.551 58 T N 0.595 115.134 114.554 -0.025 0.000 2.770 58 T HA 0.495 4.845 4.350 -0.000 0.000 0.283 58 T C 0.594 175.331 174.700 0.062 0.000 0.988 58 T CA -0.718 61.419 62.100 0.061 0.000 0.957 58 T CB 2.400 71.330 68.868 0.104 0.000 0.930 58 T HN 0.174 nan 8.240 nan 0.000 0.443 59 V N 2.132 122.115 119.914 0.115 0.000 2.547 59 V HA 0.704 4.824 4.120 -0.000 0.000 0.299 59 V C -0.013 176.162 176.094 0.135 0.000 1.040 59 V CA -1.267 61.115 62.300 0.137 0.000 0.913 59 V CB 1.442 33.353 31.823 0.146 0.000 0.992 59 V HN 0.831 nan 8.190 nan 0.000 0.449 60 R N 2.761 123.332 120.500 0.117 0.000 2.349 60 R HA 0.725 5.065 4.340 -0.000 0.000 0.299 60 R C -0.059 176.290 176.300 0.081 0.000 1.027 60 R CA 0.348 56.499 56.100 0.086 0.000 0.958 60 R CB 1.440 31.777 30.300 0.062 0.000 1.047 60 R HN 1.164 nan 8.270 nan 0.000 0.468 61 T N 0.903 115.499 114.554 0.071 0.000 2.883 61 T HA 0.512 4.862 4.350 -0.000 0.000 0.296 61 T C -0.238 174.492 174.700 0.049 0.000 1.117 61 T CA -0.859 61.280 62.100 0.066 0.000 1.006 61 T CB 1.164 70.082 68.868 0.083 0.000 1.191 61 T HN 0.435 nan 8.240 nan 0.000 0.508 62 I N 1.789 122.387 120.570 0.046 0.000 2.362 62 I HA 0.557 4.726 4.170 -0.000 0.000 0.289 62 I C 0.698 176.838 176.117 0.038 0.000 0.994 62 I CA -1.177 60.145 61.300 0.036 0.000 1.158 62 I CB 1.508 39.528 38.000 0.033 0.000 1.315 62 I HN 0.989 nan 8.210 nan 0.000 0.451 63 A N 7.190 130.028 122.820 0.031 0.000 2.440 63 A HA 0.327 4.647 4.320 -0.000 0.000 0.251 63 A C 0.844 178.445 177.584 0.028 0.000 1.089 63 A CA -0.163 51.891 52.037 0.029 0.000 0.779 63 A CB 0.400 19.414 19.000 0.024 0.000 1.022 63 A HN 0.744 nan 8.150 nan 0.000 0.492 64 M N 0.794 120.411 119.600 0.028 0.000 2.495 64 M HA 0.183 4.663 4.480 -0.000 0.000 0.237 64 M C 0.010 176.323 176.300 0.022 0.000 1.131 64 M CA 0.582 55.897 55.300 0.026 0.000 1.032 64 M CB -1.036 31.579 32.600 0.026 0.000 1.513 64 M HN 0.807 nan 8.290 nan 0.000 0.488 65 D N -1.286 119.126 120.400 0.020 0.000 2.759 65 D HA 0.482 5.122 4.640 -0.000 0.000 0.321 65 D C -0.458 175.851 176.300 0.015 0.000 1.267 65 D CA -0.220 53.790 54.000 0.017 0.000 0.933 65 D CB 1.038 41.847 40.800 0.016 0.000 1.431 65 D HN 0.097 nan 8.370 nan 0.000 0.504 66 G N -0.969 107.839 108.800 0.013 0.000 2.559 66 G HA2 0.335 4.295 3.960 -0.000 0.000 0.235 66 G HA3 0.335 4.295 3.960 -0.000 0.000 0.235 66 G C 0.765 175.672 174.900 0.011 0.000 1.266 66 G CA 0.624 45.731 45.100 0.011 0.000 0.847 66 G HN 0.417 nan 8.290 nan 0.000 0.583 67 T N -1.602 112.958 114.554 0.010 0.000 3.134 67 T HA 0.186 4.536 4.350 -0.000 0.000 0.260 67 T C 0.592 175.296 174.700 0.007 0.000 1.027 67 T CA -0.182 61.923 62.100 0.010 0.000 0.913 67 T CB 0.004 68.878 68.868 0.011 0.000 1.046 67 T HN 0.642 nan 8.240 nan 0.000 0.553 68 E N 1.446 121.650 120.200 0.006 0.000 2.376 68 E HA 0.385 4.735 4.350 -0.000 0.000 0.266 68 E C 1.069 177.671 176.600 0.003 0.000 1.009 68 E CA 0.357 56.760 56.400 0.005 0.000 0.902 68 E CB 0.572 30.275 29.700 0.005 0.000 0.972 68 E HN 0.415 nan 8.360 nan 0.000 0.439 69 G N 2.852 111.654 108.800 0.002 0.000 2.213 69 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.236 69 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.236 69 G C 0.238 175.138 174.900 -0.001 0.000 0.991 69 G CA 0.025 45.125 45.100 0.001 0.000 0.629 69 G HN 0.483 nan 8.290 nan 0.000 0.517 70 L N 1.456 122.680 121.223 0.000 0.000 2.455 70 L HA 0.458 4.798 4.340 -0.000 0.000 0.272 70 L C 0.623 177.491 176.870 -0.004 0.000 1.174 70 L CA -0.315 54.524 54.840 -0.001 0.000 0.869 70 L CB 1.196 43.256 42.059 0.002 0.000 1.130 70 L HN 0.010 nan 8.230 nan 0.000 0.474 71 V N 3.997 123.906 119.914 -0.007 0.000 2.581 71 V HA 0.383 4.503 4.120 -0.000 0.000 0.303 71 V C 0.292 176.378 176.094 -0.014 0.000 1.041 71 V CA -0.959 61.335 62.300 -0.010 0.000 0.907 71 V CB 1.774 33.590 31.823 -0.012 0.000 0.994 71 V HN 0.692 nan 8.190 nan 0.000 0.442 72 R N 2.114 122.605 120.500 -0.015 0.000 2.623 72 R HA 0.421 4.760 4.340 -0.000 0.000 0.271 72 R C 1.274 177.557 176.300 -0.028 0.000 1.043 72 R CA 0.927 57.015 56.100 -0.020 0.000 1.083 72 R CB 0.221 30.510 30.300 -0.020 0.000 0.974 72 R HN 1.213 nan 8.270 nan 0.000 0.436 73 G N 1.425 110.203 108.800 -0.037 0.000 2.157 73 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.248 73 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.248 73 G C 0.018 174.892 174.900 -0.044 0.000 0.979 73 G CA 0.188 45.261 45.100 -0.045 0.000 0.650 73 G HN 0.635 nan 8.290 nan 0.000 0.529 74 E N 0.658 120.835 120.200 -0.038 0.000 2.338 74 E HA 0.466 4.816 4.350 -0.000 0.000 0.272 74 E C 0.729 177.299 176.600 -0.049 0.000 1.029 74 E CA -0.644 55.734 56.400 -0.035 0.000 0.872 74 E CB 0.367 30.053 29.700 -0.024 0.000 1.015 74 E HN 0.274 nan 8.360 nan 0.000 0.417 75 K N 2.183 122.555 120.400 -0.047 0.000 2.485 75 K HA 0.073 4.393 4.320 -0.000 0.000 0.277 75 K C -1.208 175.356 176.600 -0.059 0.000 0.990 75 K CA 0.036 56.287 56.287 -0.059 0.000 0.994 75 K CB 0.553 33.029 32.500 -0.040 0.000 0.906 75 K HN 0.253 nan 8.250 nan 0.000 0.488 76 V N 5.323 125.181 119.914 -0.094 0.000 2.577 76 V HA 0.249 4.369 4.120 -0.000 0.000 0.303 76 V C -1.025 175.062 176.094 -0.012 0.000 1.042 76 V CA -1.057 61.207 62.300 -0.060 0.000 0.872 76 V CB 1.462 33.232 31.823 -0.089 0.000 0.998 76 V HN 0.555 nan 8.190 nan 0.000 0.423 77 L N 3.885 125.137 121.223 0.048 0.000 2.289 77 L HA 0.628 4.968 4.340 -0.000 0.000 0.285 77 L C -0.229 176.725 176.870 0.140 0.000 1.049 77 L CA 0.123 55.014 54.840 0.085 0.000 0.804 77 L CB 1.264 43.354 42.059 0.051 0.000 1.195 77 L HN 0.751 nan 8.230 nan 0.000 0.428 78 D N 1.792 122.301 120.400 0.182 0.000 2.277 78 D HA 0.160 4.800 4.640 -0.000 0.000 0.249 78 D C 1.030 177.374 176.300 0.073 0.000 1.134 78 D CA 0.342 54.425 54.000 0.138 0.000 0.863 78 D CB 1.477 42.343 40.800 0.110 0.000 1.143 78 D HN 0.723 nan 8.370 nan 0.000 0.458 79 T N 0.751 115.336 114.554 0.052 0.000 3.067 79 T HA 0.251 4.601 4.350 -0.000 0.000 0.261 79 T C 1.502 176.213 174.700 0.019 0.000 1.110 79 T CA 0.686 62.806 62.100 0.032 0.000 1.113 79 T CB 0.009 68.894 68.868 0.027 0.000 0.917 79 T HN 0.668 nan 8.240 nan 0.000 0.499 80 G N -0.017 108.791 108.800 0.013 0.000 2.232 80 G HA2 0.107 4.067 3.960 -0.000 0.000 0.226 80 G HA3 0.107 4.067 3.960 -0.000 0.000 0.226 80 G C 0.403 175.302 174.900 -0.001 0.000 0.996 80 G CA -0.321 44.779 45.100 0.001 0.000 0.626 80 G HN 1.252 nan 8.290 nan 0.000 0.509 81 G N -0.600 108.205 108.800 0.008 0.000 2.749 81 G HA2 0.799 4.759 3.960 -0.000 0.000 0.300 81 G HA3 0.799 4.759 3.960 -0.000 0.000 0.300 81 G C -3.222 171.695 174.900 0.028 0.000 1.352 81 G CA -0.167 44.941 45.100 0.013 0.000 0.789 81 G HN 0.263 nan 8.290 nan 0.000 0.509 82 P HA 0.381 nan 4.420 nan 0.000 0.277 82 P C 0.032 177.355 177.300 0.038 0.000 1.271 82 P CA -0.633 62.516 63.100 0.080 0.000 0.795 82 P CB 0.692 32.489 31.700 0.162 0.000 1.101 83 I N 0.239 120.826 120.570 0.029 0.000 2.828 83 I HA -0.073 4.097 4.170 -0.000 0.000 0.292 83 I C 0.665 176.757 176.117 -0.041 0.000 1.206 83 I CA 1.233 62.526 61.300 -0.013 0.000 1.420 83 I CB -0.517 37.465 38.000 -0.031 0.000 1.368 83 I HN 0.180 nan 8.210 nan 0.000 0.556 84 S N 5.699 121.377 115.700 -0.037 0.000 2.593 84 S HA 0.721 5.190 4.470 -0.000 0.000 0.297 84 S C -0.390 174.172 174.600 -0.063 0.000 1.112 84 S CA -0.772 57.396 58.200 -0.053 0.000 1.043 84 S CB 2.095 65.269 63.200 -0.044 0.000 1.054 84 S HN 0.508 nan 8.310 nan 0.000 0.516 85 V N -0.217 119.648 119.914 -0.083 0.000 2.876 85 V HA 0.737 4.857 4.120 -0.000 0.000 0.312 85 V C -2.989 173.035 176.094 -0.118 0.000 1.085 85 V CA -2.974 59.273 62.300 -0.088 0.000 0.945 85 V CB 1.670 33.442 31.823 -0.085 0.000 1.017 85 V HN 0.620 nan 8.190 nan 0.000 0.428 86 P HA 0.289 nan 4.420 nan 0.000 0.268 86 P C -0.327 176.845 177.300 -0.213 0.000 1.205 86 P CA 0.237 63.247 63.100 -0.150 0.000 0.771 86 P CB 1.211 32.846 31.700 -0.107 0.000 0.858 87 V N -0.897 118.815 119.914 -0.337 0.000 3.074 87 V HA 0.992 5.112 4.120 -0.000 0.000 0.314 87 V C 0.195 175.928 176.094 -0.602 0.000 1.117 87 V CA -0.162 61.822 62.300 -0.527 0.000 1.014 87 V CB 1.125 32.488 31.823 -0.767 0.000 1.057 87 V HN 1.014 nan 8.190 nan 0.000 0.438 88 G N 1.647 110.055 108.800 -0.655 0.000 2.566 88 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.599 88 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.599 88 G C 0.134 175.006 174.900 -0.046 0.000 1.292 88 G CA -0.006 44.902 45.100 -0.320 0.000 0.922 88 G HN 0.894 nan 8.290 nan 0.000 0.514 89 R N 0.672 121.225 120.500 0.087 0.000 2.249 89 R HA -0.090 4.250 4.340 -0.000 0.000 0.230 89 R C 2.088 178.381 176.300 -0.011 0.000 1.121 89 R CA 1.732 57.835 56.100 0.006 0.000 0.997 89 R CB -0.154 30.122 30.300 -0.040 0.000 0.867 89 R HN 0.742 nan 8.270 nan 0.000 0.465 90 E N 0.071 120.263 120.200 -0.013 0.000 2.502 90 E HA -0.046 4.304 4.350 -0.000 0.000 0.194 90 E C 1.093 177.690 176.600 -0.005 0.000 1.062 90 E CA 0.914 57.306 56.400 -0.014 0.000 0.867 90 E CB 0.023 29.708 29.700 -0.026 0.000 0.888 90 E HN 0.291 nan 8.360 nan 0.000 0.510 91 T N -1.168 113.395 114.554 0.014 0.000 3.057 91 T HA 0.174 4.524 4.350 -0.000 0.000 0.254 91 T C 1.140 175.883 174.700 0.071 0.000 1.094 91 T CA -0.334 61.788 62.100 0.036 0.000 1.088 91 T CB -0.255 68.635 68.868 0.037 0.000 0.934 91 T HN 0.005 nan 8.240 nan 0.000 0.497 92 L N 2.208 123.471 121.223 0.067 0.000 2.559 92 L HA 0.366 4.706 4.340 -0.000 0.000 0.274 92 L C 1.653 178.558 176.870 0.058 0.000 1.205 92 L CA 1.013 55.881 54.840 0.046 0.000 0.907 92 L CB -0.167 41.869 42.059 -0.038 0.000 1.153 92 L HN 0.578 nan 8.230 nan 0.000 0.490 93 G N 2.033 110.883 108.800 0.084 0.000 2.155 93 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.257 93 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.257 93 G C 0.269 175.234 174.900 0.109 0.000 0.983 93 G CA -0.232 44.931 45.100 0.106 0.000 0.676 93 G HN 0.492 nan 8.290 nan 0.000 0.528 94 R N -0.467 120.080 120.500 0.077 0.000 2.732 94 R HA 0.717 5.057 4.340 -0.000 0.000 0.278 94 R C 0.195 176.507 176.300 0.021 0.000 0.976 94 R CA -1.030 55.096 56.100 0.043 0.000 0.963 94 R CB 1.117 31.435 30.300 0.030 0.000 1.150 94 R HN 0.265 nan 8.270 nan 0.000 0.478 95 I N 2.782 123.328 120.570 -0.040 0.000 2.354 95 I HA 0.371 4.541 4.170 -0.000 0.000 0.292 95 I C -0.143 175.981 176.117 0.012 0.000 0.989 95 I CA -0.675 60.611 61.300 -0.023 0.000 1.188 95 I CB 1.064 38.963 38.000 -0.168 0.000 1.342 95 I HN 0.265 nan 8.210 nan 0.000 0.457 96 I N 5.846 126.450 120.570 0.057 0.000 2.530 96 I HA 0.333 4.503 4.170 -0.000 0.000 0.297 96 I C 0.152 176.309 176.117 0.067 0.000 1.011 96 I CA -0.391 60.932 61.300 0.038 0.000 1.107 96 I CB 1.569 39.580 38.000 0.019 0.000 1.285 96 I HN 0.655 nan 8.210 nan 0.000 0.436 97 N N 4.165 122.892 118.700 0.045 0.000 2.495 97 N HA 0.181 4.921 4.740 -0.000 0.000 0.294 97 N C 0.741 176.265 175.510 0.023 0.000 1.276 97 N CA -0.596 52.486 53.050 0.053 0.000 0.973 97 N CB 0.067 38.579 38.487 0.043 0.000 1.143 97 N HN 0.345 nan 8.380 nan 0.000 0.589 98 V N -0.407 119.519 119.914 0.020 0.000 2.427 98 V HA -0.073 4.047 4.120 -0.000 0.000 0.248 98 V C 1.598 177.683 176.094 -0.015 0.000 1.051 98 V CA 1.754 64.053 62.300 -0.001 0.000 1.048 98 V CB -0.864 30.963 31.823 0.007 0.000 0.666 98 V HN 0.657 nan 8.190 nan 0.000 0.456 99 I N -2.270 118.296 120.570 -0.007 0.000 3.806 99 I HA 0.506 4.676 4.170 -0.000 0.000 0.321 99 I C 1.401 177.507 176.117 -0.019 0.000 1.315 99 I CA 0.718 62.010 61.300 -0.013 0.000 1.148 99 I CB -0.351 37.648 38.000 -0.002 0.000 1.028 99 I HN 0.344 nan 8.210 nan 0.000 0.415 100 G N 1.070 109.857 108.800 -0.022 0.000 2.268 100 G HA2 -0.270 3.689 3.960 -0.000 0.000 0.240 100 G HA3 -0.270 3.689 3.960 -0.000 0.000 0.240 100 G C 0.092 174.980 174.900 -0.020 0.000 1.010 100 G CA 0.098 45.181 45.100 -0.028 0.000 0.618 100 G HN 0.613 nan 8.290 nan 0.000 0.516 101 E N 2.751 122.944 120.200 -0.012 0.000 2.442 101 E HA 0.323 4.673 4.350 -0.000 0.000 0.262 101 E C -2.148 174.449 176.600 -0.006 0.000 1.004 101 E CA -0.908 55.487 56.400 -0.009 0.000 0.928 101 E CB 0.672 30.369 29.700 -0.005 0.000 0.937 101 E HN 0.295 nan 8.360 nan 0.000 0.446 102 P HA 0.030 nan 4.420 nan 0.000 0.276 102 P C -0.054 177.239 177.300 -0.012 0.000 1.235 102 P CA 0.304 63.398 63.100 -0.009 0.000 0.772 102 P CB 0.294 31.989 31.700 -0.009 0.000 0.871 103 I N -0.372 120.185 120.570 -0.021 0.000 3.707 103 I HA 0.291 4.461 4.170 -0.000 0.000 0.330 103 I C 0.166 176.243 176.117 -0.066 0.000 1.572 103 I CA -0.252 61.029 61.300 -0.033 0.000 1.104 103 I CB 0.007 37.992 38.000 -0.024 0.000 1.240 103 I HN 0.036 nan 8.210 nan 0.000 0.475 104 D N 0.258 120.622 120.400 -0.061 0.000 2.433 104 D HA 0.031 4.671 4.640 -0.000 0.000 0.211 104 D C 0.597 176.892 176.300 -0.009 0.000 1.114 104 D CA -0.058 53.898 54.000 -0.073 0.000 0.837 104 D CB -0.071 40.663 40.800 -0.109 0.000 0.984 104 D HN 0.471 nan 8.370 nan 0.000 0.505 105 E N -0.235 119.960 120.200 -0.007 0.000 3.286 105 E HA -0.240 4.110 4.350 -0.000 0.000 0.292 105 E C 0.330 176.938 176.600 0.014 0.000 0.928 105 E CA 0.374 56.777 56.400 0.005 0.000 0.982 105 E CB -1.153 28.552 29.700 0.009 0.000 1.500 105 E HN 0.398 nan 8.360 nan 0.000 0.441 106 R N 0.425 120.935 120.500 0.017 0.000 2.449 106 R HA 0.242 4.582 4.340 -0.000 0.000 0.262 106 R C 0.975 177.282 176.300 0.013 0.000 1.006 106 R CA 0.481 56.594 56.100 0.022 0.000 1.104 106 R CB 0.637 30.958 30.300 0.035 0.000 1.206 106 R HN 0.323 nan 8.270 nan 0.000 0.538 107 G N 1.749 110.553 108.800 0.007 0.000 2.660 107 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.215 107 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.215 107 G C -2.580 172.320 174.900 -0.001 0.000 1.345 107 G CA -1.244 43.858 45.100 0.003 0.000 0.877 107 G HN 0.075 nan 8.290 nan 0.000 0.549 108 P HA 0.410 nan 4.420 nan 0.000 0.268 108 P C 0.176 177.470 177.300 -0.009 0.000 1.204 108 P CA -0.134 62.962 63.100 -0.007 0.000 0.768 108 P CB 0.348 32.043 31.700 -0.008 0.000 0.842 109 I N 3.490 124.052 120.570 -0.014 0.000 2.406 109 I HA 0.043 4.213 4.170 -0.000 0.000 0.293 109 I C 1.093 177.196 176.117 -0.025 0.000 1.101 109 I CA 0.304 61.594 61.300 -0.018 0.000 1.334 109 I CB -0.083 37.903 38.000 -0.024 0.000 1.421 109 I HN 0.073 nan 8.210 nan 0.000 0.513 110 K N 5.949 126.337 120.400 -0.020 0.000 2.180 110 K HA 0.197 4.517 4.320 -0.000 0.000 0.250 110 K C -0.109 176.470 176.600 -0.034 0.000 1.135 110 K CA -0.206 56.067 56.287 -0.024 0.000 1.037 110 K CB 0.337 32.828 32.500 -0.014 0.000 1.624 110 K HN 0.693 nan 8.250 nan 0.000 0.382 111 S N 0.803 116.472 115.700 -0.052 0.000 2.501 111 S HA 0.307 4.777 4.470 -0.000 0.000 0.301 111 S C 0.354 174.910 174.600 -0.074 0.000 1.096 111 S CA -0.987 57.170 58.200 -0.073 0.000 1.063 111 S CB 1.804 64.935 63.200 -0.115 0.000 1.042 111 S HN 0.382 nan 8.310 nan 0.000 0.494 112 K N 1.617 121.976 120.400 -0.070 0.000 2.569 112 K HA 0.366 4.686 4.320 -0.000 0.000 0.193 112 K C -0.267 176.288 176.600 -0.076 0.000 1.026 112 K CA 0.204 56.458 56.287 -0.056 0.000 1.093 112 K CB -0.232 32.248 32.500 -0.033 0.000 0.849 112 K HN 0.505 nan 8.250 nan 0.000 0.509 113 L N 0.571 121.723 121.223 -0.119 0.000 2.611 113 L HA 0.381 4.721 4.340 -0.000 0.000 0.260 113 L C -1.680 175.075 176.870 -0.192 0.000 0.924 113 L CA -0.568 54.179 54.840 -0.154 0.000 0.901 113 L CB 2.013 43.947 42.059 -0.208 0.000 1.369 113 L HN 0.038 nan 8.230 nan 0.000 0.415 114 R N 3.408 123.820 120.500 -0.147 0.000 2.686 114 R HA 0.611 4.951 4.340 -0.000 0.000 0.283 114 R C -1.336 174.894 176.300 -0.116 0.000 0.978 114 R CA -0.878 55.138 56.100 -0.140 0.000 0.897 114 R CB 3.116 33.359 30.300 -0.095 0.000 1.192 114 R HN 0.422 nan 8.270 nan 0.000 0.457 115 K N 2.365 122.692 120.400 -0.120 0.000 2.318 115 K HA 0.454 4.774 4.320 -0.000 0.000 0.249 115 K C -2.497 174.062 176.600 -0.068 0.000 0.942 115 K CA -2.216 54.022 56.287 -0.082 0.000 0.808 115 K CB 2.226 34.678 32.500 -0.080 0.000 1.189 115 K HN 0.307 nan 8.250 nan 0.000 0.428 116 P HA -0.019 nan 4.420 nan 0.000 0.266 116 P C 0.593 177.849 177.300 -0.072 0.000 1.195 116 P CA 0.192 63.270 63.100 -0.037 0.000 0.768 116 P CB 0.355 32.058 31.700 0.005 0.000 0.838 117 I N -0.646 119.839 120.570 -0.140 0.000 2.761 117 I HA 0.011 4.181 4.170 -0.000 0.000 0.261 117 I C 0.655 176.607 176.117 -0.274 0.000 1.198 117 I CA 0.613 61.776 61.300 -0.229 0.000 1.482 117 I CB -0.709 37.117 38.000 -0.290 0.000 1.100 117 I HN 0.220 nan 8.210 nan 0.000 0.445 118 H N 2.798 121.852 119.070 -0.027 0.000 2.580 118 H HA 0.761 5.317 4.556 -0.000 0.000 0.322 118 H C -0.355 174.958 175.328 -0.025 0.000 1.082 118 H CA -0.120 55.913 56.048 -0.025 0.000 1.383 118 H CB 1.438 31.190 29.762 -0.017 0.000 1.450 118 H HN 0.427 nan 8.280 nan 0.000 0.505 119 A N 3.406 126.281 122.820 0.092 0.000 2.589 119 A HA 0.265 4.585 4.320 -0.000 0.000 0.296 119 A C -0.962 176.639 177.584 0.028 0.000 1.062 119 A CA -0.996 51.065 52.037 0.040 0.000 0.686 119 A CB 1.330 20.337 19.000 0.012 0.000 1.282 119 A HN 0.535 nan 8.150 nan 0.000 0.404 120 D N 2.257 122.669 120.400 0.019 0.000 2.399 120 D HA 0.422 5.062 4.640 -0.000 0.000 0.241 120 D C -2.153 174.153 176.300 0.009 0.000 1.133 120 D CA -0.211 53.797 54.000 0.014 0.000 0.890 120 D CB 0.373 41.180 40.800 0.013 0.000 1.201 120 D HN 0.242 nan 8.370 nan 0.000 0.432 121 P HA 0.221 nan 4.420 nan 0.000 0.274 121 P C -2.458 174.850 177.300 0.014 0.000 1.237 121 P CA -1.001 62.103 63.100 0.007 0.000 0.793 121 P CB -0.176 31.532 31.700 0.014 0.000 0.977 122 P HA 0.007 nan 4.420 nan 0.000 0.266 122 P C 0.036 177.355 177.300 0.032 0.000 1.193 122 P CA 0.199 63.306 63.100 0.012 0.000 0.770 122 P CB 0.152 31.852 31.700 -0.000 0.000 0.836 123 S N 1.804 117.525 115.700 0.035 0.000 2.634 123 S HA 0.139 4.609 4.470 -0.000 0.000 0.261 123 S C 0.931 175.592 174.600 0.102 0.000 1.271 123 S CA -0.409 57.834 58.200 0.072 0.000 0.985 123 S CB -0.084 63.154 63.200 0.064 0.000 0.968 123 S HN 0.379 nan 8.310 nan 0.000 0.568 124 F N 1.226 121.176 119.950 -0.000 0.000 2.269 124 F HA 0.019 4.546 4.527 -0.000 0.000 0.301 124 F C 2.351 178.150 175.800 -0.002 0.000 1.082 124 F CA 1.205 59.205 58.000 -0.000 0.000 1.360 124 F CB -0.976 38.024 39.000 -0.001 0.000 1.041 124 F HN 0.706 nan 8.300 nan 0.000 0.512 125 A N -0.041 122.735 122.820 -0.073 0.000 1.930 125 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 125 A C 2.011 179.499 177.584 -0.159 0.000 1.175 125 A CA 1.602 53.549 52.037 -0.149 0.000 0.627 125 A CB -0.721 18.259 19.000 -0.033 0.000 0.815 125 A HN 0.520 nan 8.150 nan 0.000 0.443 126 E N 0.347 120.488 120.200 -0.098 0.000 2.482 126 E HA -0.035 4.315 4.350 -0.000 0.000 0.196 126 E C -0.005 176.539 176.600 -0.093 0.000 1.047 126 E CA -0.105 56.249 56.400 -0.075 0.000 0.869 126 E CB 0.052 29.730 29.700 -0.037 0.000 0.836 126 E HN 0.549 nan 8.360 nan 0.000 0.520 127 Q N 0.557 120.270 119.800 -0.146 0.000 2.361 127 Q HA 0.132 4.472 4.340 -0.000 0.000 0.276 127 Q C -0.295 175.627 176.000 -0.129 0.000 1.022 127 Q CA 0.343 56.064 55.803 -0.136 0.000 0.898 127 Q CB 1.571 30.195 28.738 -0.190 0.000 1.246 127 Q HN -0.078 nan 8.270 nan 0.000 0.410 128 S N 1.066 116.714 115.700 -0.085 0.000 2.779 128 S HA 0.414 4.884 4.470 -0.000 0.000 0.293 128 S C -1.029 173.540 174.600 -0.052 0.000 1.150 128 S CA -0.645 57.514 58.200 -0.069 0.000 1.057 128 S CB 0.586 63.755 63.200 -0.051 0.000 1.021 128 S HN 0.549 nan 8.310 nan 0.000 0.485 129 T N 1.856 116.378 114.554 -0.052 0.000 2.772 129 T HA 0.722 5.072 4.350 -0.000 0.000 0.288 129 T C -0.184 174.500 174.700 -0.026 0.000 0.994 129 T CA -0.701 61.378 62.100 -0.035 0.000 0.951 129 T CB 0.958 69.805 68.868 -0.035 0.000 0.933 129 T HN 0.559 nan 8.240 nan 0.000 0.447 130 S N 1.459 117.148 115.700 -0.018 0.000 2.568 130 S HA 0.800 5.270 4.470 -0.000 0.000 0.293 130 S C -0.265 174.332 174.600 -0.006 0.000 1.089 130 S CA -1.140 57.053 58.200 -0.012 0.000 0.945 130 S CB 1.889 65.082 63.200 -0.010 0.000 1.077 130 S HN 1.192 nan 8.310 nan 0.000 0.485 131 A N 1.157 123.975 122.820 -0.004 0.000 3.218 131 A HA 0.560 4.880 4.320 -0.000 0.000 0.321 131 A C -0.138 177.448 177.584 0.003 0.000 1.012 131 A CA -0.473 51.563 52.037 -0.000 0.000 0.948 131 A CB -0.324 18.672 19.000 -0.006 0.000 1.050 131 A HN 0.821 nan 8.150 nan 0.000 0.492 132 E N 2.031 122.237 120.200 0.009 0.000 2.145 132 E HA 0.417 4.767 4.350 -0.000 0.000 0.262 132 E C -0.929 175.686 176.600 0.024 0.000 0.883 132 E CA -0.575 55.833 56.400 0.013 0.000 0.748 132 E CB 0.987 30.693 29.700 0.011 0.000 1.140 132 E HN 0.618 nan 8.360 nan 0.000 0.417 133 I N 4.949 125.535 120.570 0.026 0.000 2.692 133 I HA 0.018 4.188 4.170 -0.000 0.000 0.284 133 I C -0.808 175.336 176.117 0.045 0.000 1.159 133 I CA -0.136 61.186 61.300 0.036 0.000 1.423 133 I CB 0.472 38.489 38.000 0.029 0.000 1.380 133 I HN 0.567 nan 8.210 nan 0.000 0.580 134 L N 7.518 128.779 121.223 0.062 0.000 2.388 134 L HA 0.445 4.785 4.340 -0.000 0.000 0.267 134 L C -0.715 176.185 176.870 0.050 0.000 0.995 134 L CA -0.184 54.696 54.840 0.067 0.000 0.864 134 L CB 1.274 43.388 42.059 0.091 0.000 1.216 134 L HN 0.548 nan 8.230 nan 0.000 0.430 135 E N 2.030 122.248 120.200 0.029 0.000 2.376 135 E HA 0.138 4.488 4.350 -0.000 0.000 0.266 135 E C 0.579 177.175 176.600 -0.007 0.000 1.009 135 E CA 0.703 57.104 56.400 0.002 0.000 0.902 135 E CB 1.003 30.711 29.700 0.012 0.000 0.972 135 E HN 0.788 nan 8.360 nan 0.000 0.439 136 T N -0.219 114.302 114.554 -0.055 0.000 3.040 136 T HA 0.212 4.562 4.350 -0.000 0.000 0.252 136 T C 1.473 176.143 174.700 -0.050 0.000 1.064 136 T CA 0.301 62.368 62.100 -0.056 0.000 1.110 136 T CB 0.311 69.100 68.868 -0.133 0.000 0.921 136 T HN 0.710 nan 8.240 nan 0.000 0.480 137 G N 1.549 110.328 108.800 -0.036 0.000 2.194 137 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.236 137 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.236 137 G C -0.015 174.892 174.900 0.011 0.000 0.987 137 G CA -0.061 45.031 45.100 -0.013 0.000 0.635 137 G HN 0.642 nan 8.290 nan 0.000 0.520 138 I N 1.490 122.062 120.570 0.005 0.000 2.312 138 I HA 0.292 4.462 4.170 -0.000 0.000 0.291 138 I C 1.603 177.737 176.117 0.028 0.000 1.031 138 I CA -0.565 60.784 61.300 0.081 0.000 1.293 138 I CB 1.319 39.391 38.000 0.118 0.000 1.403 138 I HN 0.008 nan 8.210 nan 0.000 0.484 139 K N 3.742 124.152 120.400 0.016 0.000 2.015 139 K HA -0.211 4.109 4.320 -0.000 0.000 0.216 139 K C 1.881 178.433 176.600 -0.081 0.000 1.052 139 K CA 1.741 58.002 56.287 -0.044 0.000 0.937 139 K CB -0.174 32.287 32.500 -0.065 0.000 0.719 139 K HN 0.579 nan 8.250 nan 0.000 0.446 140 V N 0.898 120.787 119.914 -0.042 0.000 2.469 140 V HA -0.204 3.916 4.120 -0.000 0.000 0.251 140 V C 1.922 177.997 176.094 -0.032 0.000 1.064 140 V CA 1.603 63.868 62.300 -0.057 0.000 1.066 140 V CB 0.012 31.843 31.823 0.013 0.000 0.667 140 V HN 0.155 nan 8.190 nan 0.000 0.461 141 V N 0.168 120.084 119.914 0.003 0.000 2.273 141 V HA -0.137 3.983 4.120 -0.000 0.000 0.242 141 V C 2.364 178.398 176.094 -0.100 0.000 1.035 141 V CA 2.221 64.484 62.300 -0.062 0.000 1.013 141 V CB -0.805 30.918 31.823 -0.167 0.000 0.652 141 V HN 0.536 nan 8.190 nan 0.000 0.452 142 D N 0.067 120.411 120.400 -0.094 0.000 2.182 142 D HA -0.174 4.466 4.640 -0.000 0.000 0.201 142 D C 1.954 178.283 176.300 0.048 0.000 0.986 142 D CA 1.367 55.344 54.000 -0.039 0.000 0.847 142 D CB -0.055 40.726 40.800 -0.031 0.000 0.942 142 D HN 0.337 nan 8.370 nan 0.000 0.467 143 L N 0.110 121.313 121.223 -0.034 0.000 2.049 143 L HA -0.019 4.321 4.340 -0.000 0.000 0.203 143 L C 2.146 179.064 176.870 0.079 0.000 1.074 143 L CA 1.275 56.093 54.840 -0.037 0.000 0.749 143 L CB -0.307 41.578 42.059 -0.289 0.000 0.907 143 L HN -0.059 nan 8.230 nan 0.000 0.439 144 L N -0.736 120.469 121.223 -0.030 0.000 2.121 144 L HA 0.226 4.566 4.340 -0.000 0.000 0.200 144 L C 1.055 177.931 176.870 0.010 0.000 1.077 144 L CA 0.669 55.492 54.840 -0.027 0.000 0.766 144 L CB -0.391 41.627 42.059 -0.068 0.000 0.931 144 L HN 0.235 nan 8.230 nan 0.000 0.452 145 A N 0.038 122.872 122.820 0.024 0.000 3.105 145 A HA 0.500 4.820 4.320 -0.000 0.000 0.336 145 A C -2.496 175.138 177.584 0.084 0.000 1.042 145 A CA -1.254 50.825 52.037 0.070 0.000 0.851 145 A CB -0.319 18.749 19.000 0.113 0.000 1.068 145 A HN -0.065 nan 8.150 nan 0.000 0.477 146 P HA 0.056 nan 4.420 nan 0.000 0.265 146 P C -0.620 176.796 177.300 0.194 0.000 1.187 146 P CA 0.664 63.780 63.100 0.026 0.000 0.766 146 P CB 0.193 31.907 31.700 0.023 0.000 0.820 147 Y N 0.984 121.313 120.300 0.050 0.000 2.307 147 Y HA 0.532 5.082 4.550 -0.000 0.000 0.324 147 Y C 0.920 176.830 175.900 0.017 0.000 1.238 147 Y CA -1.798 56.323 58.100 0.035 0.000 1.280 147 Y CB 0.121 38.606 38.460 0.042 0.000 1.248 147 Y HN 0.315 nan 8.280 nan 0.000 0.508 148 A N 3.395 126.315 122.820 0.167 0.000 2.330 148 A HA 0.572 4.892 4.320 -0.000 0.000 0.327 148 A C -0.159 177.451 177.584 0.042 0.000 1.155 148 A CA -1.125 50.960 52.037 0.079 0.000 0.803 148 A CB 0.608 19.637 19.000 0.047 0.000 1.208 148 A HN 0.777 nan 8.150 nan 0.000 0.477 149 R N 1.295 121.813 120.500 0.031 0.000 2.504 149 R HA 0.246 4.586 4.340 -0.000 0.000 0.291 149 R C 1.133 177.427 176.300 -0.011 0.000 0.974 149 R CA 1.073 57.176 56.100 0.006 0.000 1.077 149 R CB -0.147 30.163 30.300 0.017 0.000 0.926 149 R HN 1.723 nan 8.270 nan 0.000 0.407 150 G N 1.890 110.668 108.800 -0.038 0.000 2.168 150 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.263 150 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.263 150 G C 0.479 175.353 174.900 -0.044 0.000 0.977 150 G CA 0.130 45.205 45.100 -0.042 0.000 0.659 150 G HN 0.914 nan 8.290 nan 0.000 0.533 151 G N -0.681 108.091 108.800 -0.045 0.000 2.502 151 G HA2 0.623 4.583 3.960 -0.000 0.000 0.305 151 G HA3 0.623 4.583 3.960 -0.000 0.000 0.305 151 G C -0.073 174.776 174.900 -0.086 0.000 1.190 151 G CA -0.649 44.424 45.100 -0.045 0.000 0.933 151 G HN 0.446 nan 8.290 nan 0.000 0.503 152 K N -0.345 120.010 120.400 -0.076 0.000 2.138 152 K HA 0.601 4.921 4.320 -0.000 0.000 0.263 152 K C -0.976 175.542 176.600 -0.136 0.000 0.965 152 K CA -0.354 55.868 56.287 -0.108 0.000 0.868 152 K CB 2.206 34.668 32.500 -0.064 0.000 1.083 152 K HN 0.282 nan 8.250 nan 0.000 0.443 153 I N 1.111 121.554 120.570 -0.211 0.000 2.548 153 I HA 0.291 4.461 4.170 -0.000 0.000 0.287 153 I C -0.118 175.841 176.117 -0.264 0.000 1.103 153 I CA -0.786 60.331 61.300 -0.306 0.000 1.049 153 I CB 2.290 39.941 38.000 -0.581 0.000 1.232 153 I HN 0.719 nan 8.210 nan 0.000 0.429 154 G N 6.148 114.835 108.800 -0.189 0.000 2.417 154 G HA2 0.798 4.758 3.960 -0.000 0.000 0.334 154 G HA3 0.798 4.758 3.960 -0.000 0.000 0.334 154 G C -0.890 173.886 174.900 -0.207 0.000 1.150 154 G CA -0.552 44.393 45.100 -0.258 0.000 0.923 154 G HN 0.483 nan 8.290 nan 0.000 0.485 155 L N 1.666 122.701 121.223 -0.313 0.000 2.433 155 L HA 0.341 4.681 4.340 -0.000 0.000 0.256 155 L C -0.972 175.769 176.870 -0.215 0.000 1.063 155 L CA -0.494 54.220 54.840 -0.210 0.000 0.922 155 L CB 0.816 42.762 42.059 -0.189 0.000 1.238 155 L HN 0.324 nan 8.230 nan 0.000 0.466 156 F N 1.251 121.108 119.950 -0.155 0.000 2.412 156 F HA 0.695 5.222 4.527 -0.000 0.000 0.348 156 F C 1.102 176.857 175.800 -0.075 0.000 1.102 156 F CA -0.069 57.852 58.000 -0.132 0.000 1.196 156 F CB 1.718 40.621 39.000 -0.162 0.000 1.144 156 F HN 0.374 nan 8.300 nan 0.000 0.541 157 G N 1.040 109.895 108.800 0.091 0.000 2.596 157 G HA2 0.473 4.433 3.960 -0.000 0.000 0.296 157 G HA3 0.473 4.433 3.960 -0.000 0.000 0.296 157 G C -0.786 174.109 174.900 -0.008 0.000 1.513 157 G CA -0.395 44.738 45.100 0.055 0.000 0.851 157 G HN 0.916 nan 8.290 nan 0.000 0.548 158 G N -0.468 108.306 108.800 -0.044 0.000 2.588 158 G HA2 0.682 4.642 3.960 -0.000 0.000 0.278 158 G HA3 0.682 4.642 3.960 -0.000 0.000 0.278 158 G C 0.821 175.792 174.900 0.117 0.000 1.307 158 G CA 0.389 45.426 45.100 -0.105 0.000 1.016 158 G HN 1.796 nan 8.290 nan 0.000 0.503 159 A N -1.266 121.696 122.820 0.236 0.000 2.566 159 A HA 0.490 4.810 4.320 -0.000 0.000 0.245 159 A C 1.539 179.207 177.584 0.141 0.000 1.056 159 A CA 1.203 53.388 52.037 0.245 0.000 0.757 159 A CB -0.776 18.362 19.000 0.230 0.000 0.979 159 A HN 2.594 nan 8.150 nan 0.000 0.508 160 G N 0.877 109.754 108.800 0.129 0.000 2.182 160 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.248 160 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.248 160 G C 0.605 175.577 174.900 0.120 0.000 1.042 160 G CA 0.761 45.923 45.100 0.103 0.000 0.775 160 G HN 2.154 nan 8.290 nan 0.000 0.501 161 V N -4.053 115.942 119.914 0.135 0.000 3.431 161 V HA 0.691 4.811 4.120 -0.000 0.000 0.253 161 V C 1.660 177.893 176.094 0.232 0.000 1.184 161 V CA 1.207 63.605 62.300 0.164 0.000 1.104 161 V CB 0.531 32.417 31.823 0.106 0.000 0.799 161 V HN 2.107 nan 8.190 nan 0.000 0.462 162 G N 0.411 109.330 108.800 0.198 0.000 2.207 162 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.193 162 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.193 162 G C 0.441 175.507 174.900 0.277 0.000 1.050 162 G CA 0.141 45.384 45.100 0.238 0.000 0.780 162 G HN 0.364 nan 8.290 nan 0.000 0.504 163 K N -0.106 120.414 120.400 0.201 0.000 1.991 163 K HA -0.084 4.236 4.320 -0.000 0.000 0.212 163 K C 2.566 179.311 176.600 0.241 0.000 1.049 163 K CA 2.101 58.498 56.287 0.183 0.000 0.932 163 K CB -0.297 32.278 32.500 0.124 0.000 0.717 163 K HN 0.269 nan 8.250 nan 0.000 0.441 164 T N 1.150 115.830 114.554 0.210 0.000 2.746 164 T HA -0.107 4.243 4.350 -0.000 0.000 0.267 164 T C 2.075 176.913 174.700 0.230 0.000 1.039 164 T CA 1.200 63.432 62.100 0.219 0.000 1.142 164 T CB -0.227 68.755 68.868 0.190 0.000 0.866 164 T HN -0.054 nan 8.240 nan 0.000 0.444 165 V N 0.819 120.872 119.914 0.232 0.000 2.343 165 V HA -0.122 3.998 4.120 -0.000 0.000 0.247 165 V C 2.015 178.268 176.094 0.264 0.000 1.051 165 V CA 1.521 63.966 62.300 0.242 0.000 1.036 165 V CB -0.709 31.241 31.823 0.212 0.000 0.654 165 V HN 0.376 nan 8.190 nan 0.000 0.451 166 F N -0.093 119.987 119.950 0.216 0.000 2.126 166 F HA -0.211 4.316 4.527 -0.000 0.000 0.299 166 F C 2.129 177.987 175.800 0.096 0.000 1.096 166 F CA 1.984 60.105 58.000 0.202 0.000 1.255 166 F CB -0.130 39.020 39.000 0.249 0.000 0.997 166 F HN 0.059 nan 8.300 nan 0.000 0.479 167 I N -0.475 120.318 120.570 0.371 0.000 2.439 167 I HA -0.269 3.901 4.170 -0.000 0.000 0.251 167 I C 2.168 178.369 176.117 0.140 0.000 1.139 167 I CA 1.147 62.629 61.300 0.304 0.000 1.438 167 I CB -0.283 37.906 38.000 0.315 0.000 1.085 167 I HN 0.214 nan 8.210 nan 0.000 0.427 168 Q N 0.048 119.902 119.800 0.090 0.000 2.119 168 Q HA -0.279 4.060 4.340 -0.000 0.000 0.201 168 Q C 1.963 177.902 176.000 -0.101 0.000 0.972 168 Q CA 1.712 57.507 55.803 -0.013 0.000 0.847 168 Q CB -0.064 28.688 28.738 0.023 0.000 0.903 168 Q HN 0.427 nan 8.270 nan 0.000 0.433 169 E N 1.096 121.191 120.200 -0.175 0.000 2.077 169 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 169 E C 1.720 178.136 176.600 -0.307 0.000 0.989 169 E CA 1.040 57.218 56.400 -0.369 0.000 0.800 169 E CB -0.224 28.928 29.700 -0.913 0.000 0.746 169 E HN 0.296 nan 8.360 nan 0.000 0.452 170 L N 0.017 121.116 121.223 -0.205 0.000 2.083 170 L HA -0.136 4.204 4.340 -0.000 0.000 0.209 170 L C 2.469 179.338 176.870 -0.001 0.000 1.083 170 L CA 0.996 55.823 54.840 -0.022 0.000 0.752 170 L CB -0.341 41.844 42.059 0.210 0.000 0.899 170 L HN 0.231 nan 8.230 nan 0.000 0.433 171 I N -0.342 120.144 120.570 -0.140 0.000 2.163 171 I HA -0.302 3.868 4.170 -0.000 0.000 0.240 171 I C 2.363 178.393 176.117 -0.145 0.000 1.081 171 I CA 1.251 62.374 61.300 -0.295 0.000 1.353 171 I CB -0.432 37.304 38.000 -0.439 0.000 1.054 171 I HN 0.314 nan 8.210 nan 0.000 0.407 172 N N 1.355 119.975 118.700 -0.133 0.000 2.096 172 N HA -0.235 4.504 4.740 -0.000 0.000 0.195 172 N C 1.454 176.922 175.510 -0.069 0.000 1.017 172 N CA 2.009 55.000 53.050 -0.099 0.000 0.870 172 N CB -0.180 38.241 38.487 -0.110 0.000 1.024 172 N HN 0.318 nan 8.380 nan 0.000 0.434 173 N N -0.406 118.251 118.700 -0.072 0.000 2.258 173 N HA 0.039 4.779 4.740 -0.000 0.000 0.183 173 N C 1.622 177.137 175.510 0.009 0.000 1.029 173 N CA 0.760 53.786 53.050 -0.040 0.000 0.857 173 N CB -0.245 38.201 38.487 -0.069 0.000 1.008 173 N HN 0.242 nan 8.380 nan 0.000 0.433 174 I N 1.358 121.953 120.570 0.043 0.000 2.406 174 I HA 0.019 4.189 4.170 -0.000 0.000 0.249 174 I C 2.252 178.440 176.117 0.118 0.000 1.122 174 I CA 0.383 61.738 61.300 0.092 0.000 1.431 174 I CB -1.664 36.422 38.000 0.143 0.000 1.087 174 I HN -0.053 nan 8.210 nan 0.000 0.424 175 A N 1.737 124.616 122.820 0.097 0.000 1.821 175 A HA -0.233 4.087 4.320 -0.000 0.000 0.215 175 A C 2.427 180.073 177.584 0.103 0.000 1.216 175 A CA 1.824 53.926 52.037 0.109 0.000 0.615 175 A CB -0.856 18.155 19.000 0.018 0.000 0.862 175 A HN 0.288 nan 8.150 nan 0.000 0.450 176 K N -0.399 120.030 120.400 0.050 0.000 2.211 176 K HA -0.130 4.190 4.320 -0.000 0.000 0.204 176 K C 2.054 178.679 176.600 0.042 0.000 1.047 176 K CA 1.151 57.461 56.287 0.038 0.000 0.935 176 K CB -0.279 32.229 32.500 0.013 0.000 0.728 176 K HN 0.443 nan 8.250 nan 0.000 0.452 177 A N 0.574 123.428 122.820 0.056 0.000 1.897 177 A HA -0.130 4.190 4.320 -0.000 0.000 0.215 177 A C 0.951 178.580 177.584 0.076 0.000 1.181 177 A CA 0.708 52.778 52.037 0.054 0.000 0.620 177 A CB -0.644 18.389 19.000 0.055 0.000 0.821 177 A HN 0.481 nan 8.150 nan 0.000 0.443 178 H N -0.916 118.156 119.070 0.004 0.000 2.983 178 H HA 0.268 4.824 4.556 -0.000 0.000 0.361 178 H C 1.526 176.824 175.328 -0.051 0.000 1.145 178 H CA 0.602 56.642 56.048 -0.012 0.000 1.404 178 H CB 0.583 30.352 29.762 0.011 0.000 1.356 178 H HN 0.083 nan 8.280 nan 0.000 0.612 179 G N 2.163 110.459 108.800 -0.841 0.000 2.439 179 G HA2 0.072 4.032 3.960 -0.000 0.000 0.212 179 G HA3 0.072 4.032 3.960 -0.000 0.000 0.212 179 G C 0.943 175.464 174.900 -0.632 0.000 1.199 179 G CA 0.406 45.140 45.100 -0.610 0.000 0.807 179 G HN 0.825 nan 8.290 nan 0.000 0.537 180 G N -0.482 107.817 108.800 -0.836 0.000 2.494 180 G HA2 0.447 4.407 3.960 -0.000 0.000 0.270 180 G HA3 0.447 4.407 3.960 -0.000 0.000 0.270 180 G C -0.425 174.150 174.900 -0.542 0.000 1.423 180 G CA -0.725 43.940 45.100 -0.725 0.000 1.055 180 G HN 0.092 nan 8.290 nan 0.000 0.536 181 F N -1.044 118.811 119.950 -0.158 0.000 2.364 181 F HA 0.672 5.199 4.527 -0.000 0.000 0.316 181 F C 0.840 176.595 175.800 -0.075 0.000 1.133 181 F CA -0.646 57.207 58.000 -0.245 0.000 1.051 181 F CB 1.114 39.664 39.000 -0.751 0.000 1.342 181 F HN 0.212 nan 8.300 nan 0.000 0.507 182 S N -0.510 115.293 115.700 0.172 0.000 2.595 182 S HA 0.772 5.242 4.470 -0.000 0.000 0.281 182 S C -1.436 173.309 174.600 0.242 0.000 1.117 182 S CA -0.744 57.599 58.200 0.237 0.000 0.873 182 S CB 2.299 65.696 63.200 0.327 0.000 1.108 182 S HN 0.301 nan 8.310 nan 0.000 0.477 183 V N 2.453 122.541 119.914 0.290 0.000 2.588 183 V HA 0.551 4.671 4.120 -0.000 0.000 0.304 183 V C -1.450 174.841 176.094 0.328 0.000 1.042 183 V CA -0.639 61.819 62.300 0.263 0.000 0.877 183 V CB 1.509 33.452 31.823 0.199 0.000 0.996 183 V HN 0.830 nan 8.190 nan 0.000 0.425 184 F N 3.474 123.492 119.950 0.112 0.000 2.403 184 F HA 0.623 5.150 4.527 -0.000 0.000 0.355 184 F C 0.340 176.053 175.800 -0.145 0.000 1.119 184 F CA -0.133 57.895 58.000 0.047 0.000 1.007 184 F CB 1.421 40.417 39.000 -0.007 0.000 1.194 184 F HN 0.497 nan 8.300 nan 0.000 0.443 185 T N 4.691 119.021 114.554 -0.374 0.000 2.767 185 T HA 0.501 4.851 4.350 -0.000 0.000 0.288 185 T C 0.309 174.640 174.700 -0.616 0.000 0.963 185 T CA -0.523 61.337 62.100 -0.399 0.000 1.019 185 T CB 1.156 69.863 68.868 -0.268 0.000 0.923 185 T HN 0.827 nan 8.240 nan 0.000 0.468 186 G N 2.028 110.491 108.800 -0.563 0.000 2.356 186 G HA2 0.521 4.481 3.960 -0.000 0.000 0.312 186 G HA3 0.521 4.481 3.960 -0.000 0.000 0.312 186 G C -0.607 174.241 174.900 -0.087 0.000 1.096 186 G CA -0.448 44.504 45.100 -0.248 0.000 0.950 186 G HN 0.664 nan 8.290 nan 0.000 0.428 187 V N 2.555 122.441 119.914 -0.047 0.000 2.350 187 V HA 0.630 4.750 4.120 -0.000 0.000 0.285 187 V C 1.137 177.261 176.094 0.051 0.000 1.014 187 V CA 0.272 62.571 62.300 -0.002 0.000 0.831 187 V CB 0.831 32.635 31.823 -0.031 0.000 1.000 187 V HN 1.360 nan 8.190 nan 0.000 0.433 188 G N 3.232 112.074 108.800 0.071 0.000 2.203 188 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.263 188 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.263 188 G C 0.208 175.155 174.900 0.078 0.000 1.012 188 G CA 0.542 45.682 45.100 0.067 0.000 0.749 188 G HN 0.595 nan 8.290 nan 0.000 0.512 189 E N -0.708 119.561 120.200 0.114 0.000 2.819 189 E HA 0.446 4.796 4.350 -0.000 0.000 0.241 189 E C 0.742 177.415 176.600 0.121 0.000 0.987 189 E CA -0.933 55.537 56.400 0.118 0.000 1.024 189 E CB 0.610 30.405 29.700 0.158 0.000 1.448 189 E HN 0.332 nan 8.360 nan 0.000 0.484 190 R N 0.386 120.957 120.500 0.119 0.000 2.298 190 R HA 0.188 4.527 4.340 -0.000 0.000 0.310 190 R C 1.067 177.420 176.300 0.088 0.000 1.068 190 R CA 0.036 56.190 56.100 0.089 0.000 0.957 190 R CB 0.453 30.799 30.300 0.077 0.000 1.003 190 R HN 0.413 nan 8.270 nan 0.000 0.454 191 T N 2.026 116.609 114.554 0.049 0.000 2.881 191 T HA -0.158 4.192 4.350 -0.000 0.000 0.270 191 T C 1.715 176.389 174.700 -0.042 0.000 1.068 191 T CA 1.139 63.236 62.100 -0.006 0.000 1.131 191 T CB -0.104 68.753 68.868 -0.020 0.000 0.871 191 T HN 0.507 nan 8.240 nan 0.000 0.479 192 R N 1.017 121.515 120.500 -0.004 0.000 2.092 192 R HA -0.077 4.263 4.340 -0.000 0.000 0.231 192 R C 2.146 178.446 176.300 0.001 0.000 1.119 192 R CA 1.348 57.445 56.100 -0.005 0.000 0.970 192 R CB -0.041 30.268 30.300 0.016 0.000 0.864 192 R HN 0.491 nan 8.270 nan 0.000 0.440 193 E N -0.881 119.342 120.200 0.037 0.000 2.072 193 E HA -0.110 4.240 4.350 -0.000 0.000 0.191 193 E C 1.883 178.502 176.600 0.032 0.000 0.985 193 E CA 1.004 57.443 56.400 0.065 0.000 0.801 193 E CB -0.182 29.597 29.700 0.131 0.000 0.750 193 E HN 0.550 nan 8.360 nan 0.000 0.452 194 G N 1.447 110.239 108.800 -0.013 0.000 2.491 194 G HA2 -0.399 3.561 3.960 -0.000 0.000 0.218 194 G HA3 -0.399 3.561 3.960 -0.000 0.000 0.218 194 G C 1.388 176.136 174.900 -0.254 0.000 1.180 194 G CA 1.322 46.255 45.100 -0.279 0.000 0.774 194 G HN 0.244 nan 8.290 nan 0.000 0.562 195 N N 0.385 118.978 118.700 -0.179 0.000 2.069 195 N HA -0.125 4.615 4.740 -0.000 0.000 0.191 195 N C 1.807 177.313 175.510 -0.006 0.000 1.031 195 N CA 1.713 54.733 53.050 -0.050 0.000 0.852 195 N CB -0.166 38.294 38.487 -0.045 0.000 1.018 195 N HN 0.163 nan 8.380 nan 0.000 0.423 196 D N 0.086 120.473 120.400 -0.023 0.000 2.106 196 D HA -0.181 4.459 4.640 -0.000 0.000 0.191 196 D C 1.900 178.181 176.300 -0.031 0.000 0.997 196 D CA 0.793 54.781 54.000 -0.021 0.000 0.834 196 D CB -0.548 40.251 40.800 -0.002 0.000 0.956 196 D HN 0.257 nan 8.370 nan 0.000 0.448 197 L N -0.227 120.971 121.223 -0.042 0.000 2.012 197 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 197 L C 2.242 179.101 176.870 -0.019 0.000 1.073 197 L CA 1.570 56.357 54.840 -0.089 0.000 0.748 197 L CB -0.787 41.145 42.059 -0.212 0.000 0.891 197 L HN 0.071 nan 8.230 nan 0.000 0.431 198 Y N 0.523 120.748 120.300 -0.125 0.000 2.128 198 Y HA -0.275 4.275 4.550 -0.000 0.000 0.284 198 Y C 2.894 178.749 175.900 -0.074 0.000 1.154 198 Y CA 2.243 60.288 58.100 -0.091 0.000 1.149 198 Y CB -0.488 37.907 38.460 -0.108 0.000 0.976 198 Y HN 0.224 nan 8.280 nan 0.000 0.505 199 R N 0.176 120.572 120.500 -0.174 0.000 2.092 199 R HA -0.198 4.142 4.340 -0.000 0.000 0.231 199 R C 2.202 178.403 176.300 -0.165 0.000 1.119 199 R CA 1.696 57.647 56.100 -0.248 0.000 0.970 199 R CB -0.270 29.937 30.300 -0.155 0.000 0.864 199 R HN 0.431 nan 8.270 nan 0.000 0.440 200 E N 0.091 120.226 120.200 -0.108 0.000 2.150 200 E HA -0.158 4.192 4.350 -0.000 0.000 0.193 200 E C 1.769 178.317 176.600 -0.087 0.000 0.985 200 E CA 1.295 57.642 56.400 -0.089 0.000 0.814 200 E CB 0.051 29.705 29.700 -0.076 0.000 0.752 200 E HN 0.220 nan 8.360 nan 0.000 0.466 201 M N 0.674 120.225 119.600 -0.082 0.000 2.077 201 M HA -0.080 4.400 4.480 -0.000 0.000 0.261 201 M C 2.113 178.370 176.300 -0.073 0.000 1.070 201 M CA 1.638 56.904 55.300 -0.057 0.000 1.125 201 M CB -0.998 31.605 32.600 0.005 0.000 1.339 201 M HN 0.082 nan 8.290 nan 0.000 0.409 202 K N 0.588 120.908 120.400 -0.133 0.000 2.074 202 K HA -0.184 4.136 4.320 -0.000 0.000 0.209 202 K C 1.420 177.957 176.600 -0.105 0.000 1.048 202 K CA 1.453 57.650 56.287 -0.149 0.000 0.926 202 K CB -0.294 32.047 32.500 -0.266 0.000 0.713 202 K HN 0.495 nan 8.250 nan 0.000 0.444 203 E N -0.095 120.043 120.200 -0.104 0.000 2.365 203 E HA -0.010 4.340 4.350 -0.000 0.000 0.188 203 E C 0.240 176.804 176.600 -0.059 0.000 1.102 203 E CA 0.318 56.671 56.400 -0.079 0.000 0.927 203 E CB 0.378 30.030 29.700 -0.081 0.000 1.073 203 E HN 0.217 nan 8.360 nan 0.000 0.467 204 T N -1.821 112.701 114.554 -0.053 0.000 3.092 204 T HA 0.178 4.528 4.350 -0.000 0.000 0.273 204 T C 1.169 175.852 174.700 -0.028 0.000 0.898 204 T CA 0.127 62.203 62.100 -0.041 0.000 0.868 204 T CB 1.224 70.064 68.868 -0.046 0.000 1.228 204 T HN 0.288 nan 8.240 nan 0.000 0.555 205 G N 1.576 110.360 108.800 -0.027 0.000 2.179 205 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.260 205 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.260 205 G C 1.008 175.908 174.900 0.002 0.000 0.977 205 G CA 0.485 45.577 45.100 -0.013 0.000 0.641 205 G HN 0.522 nan 8.290 nan 0.000 0.533 206 V N -0.443 119.472 119.914 0.000 0.000 2.453 206 V HA 0.255 4.375 4.120 -0.000 0.000 0.247 206 V C 1.672 177.788 176.094 0.037 0.000 1.048 206 V CA 1.583 63.895 62.300 0.019 0.000 1.049 206 V CB -0.224 31.604 31.823 0.007 0.000 0.672 206 V HN 0.477 nan 8.190 nan 0.000 0.457 207 I N 1.292 121.879 120.570 0.028 0.000 2.493 207 I HA 0.408 4.577 4.170 -0.000 0.000 0.298 207 I C -0.385 175.742 176.117 0.016 0.000 0.998 207 I CA -0.222 61.105 61.300 0.045 0.000 1.137 207 I CB 1.754 39.802 38.000 0.080 0.000 1.310 207 I HN 0.182 nan 8.210 nan 0.000 0.445 208 N N 6.831 125.546 118.700 0.026 0.000 2.581 208 N HA 0.226 4.966 4.740 -0.000 0.000 0.279 208 N C 0.206 175.728 175.510 0.021 0.000 1.124 208 N CA -0.366 52.690 53.050 0.011 0.000 0.833 208 N CB 1.527 40.022 38.487 0.013 0.000 1.338 208 N HN 0.607 nan 8.380 nan 0.000 0.533 209 L N 1.582 122.812 121.223 0.012 0.000 2.447 209 L HA -0.068 4.272 4.340 -0.000 0.000 0.225 209 L C -0.092 176.793 176.870 0.025 0.000 1.148 209 L CA 1.244 56.100 54.840 0.027 0.000 0.808 209 L CB -0.018 42.050 42.059 0.014 0.000 0.928 209 L HN 0.492 nan 8.230 nan 0.000 0.448 210 E N -0.616 119.594 120.200 0.017 0.000 2.923 210 E HA 0.533 4.883 4.350 -0.000 0.000 0.266 210 E C -0.074 176.536 176.600 0.016 0.000 1.157 210 E CA -0.118 56.292 56.400 0.016 0.000 0.795 210 E CB 1.204 30.910 29.700 0.011 0.000 1.454 210 E HN 0.183 nan 8.360 nan 0.000 0.386 211 G N 1.483 110.296 108.800 0.021 0.000 2.369 211 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.293 211 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.293 211 G C -1.283 173.635 174.900 0.030 0.000 1.301 211 G CA -1.100 44.013 45.100 0.023 0.000 0.913 211 G HN 0.395 nan 8.290 nan 0.000 0.540 212 E N -0.227 119.994 120.200 0.035 0.000 2.765 212 E HA 0.354 4.704 4.350 -0.000 0.000 0.256 212 E C -0.247 176.384 176.600 0.050 0.000 0.935 212 E CA 0.729 57.157 56.400 0.048 0.000 0.954 212 E CB 0.260 29.992 29.700 0.055 0.000 0.908 212 E HN 0.507 nan 8.360 nan 0.000 0.500 213 S N 3.133 118.868 115.700 0.059 0.000 2.547 213 S HA 0.266 4.736 4.470 -0.000 0.000 0.281 213 S C 0.006 174.658 174.600 0.088 0.000 1.118 213 S CA -1.158 57.081 58.200 0.065 0.000 0.947 213 S CB 1.795 65.032 63.200 0.062 0.000 1.053 213 S HN 0.435 nan 8.310 nan 0.000 0.482 214 K N 0.858 121.320 120.400 0.103 0.000 2.358 214 K HA 0.318 4.638 4.320 -0.000 0.000 0.197 214 K C -0.154 176.537 176.600 0.151 0.000 1.025 214 K CA 0.233 56.614 56.287 0.156 0.000 1.104 214 K CB 0.742 33.316 32.500 0.123 0.000 0.855 214 K HN 0.447 nan 8.250 nan 0.000 0.531 215 V N -0.131 119.852 119.914 0.115 0.000 2.932 215 V HA 0.681 4.801 4.120 -0.000 0.000 0.307 215 V C -1.783 174.391 176.094 0.133 0.000 1.147 215 V CA -0.916 61.464 62.300 0.132 0.000 0.951 215 V CB 2.047 33.948 31.823 0.131 0.000 1.031 215 V HN 0.118 nan 8.190 nan 0.000 0.426 216 A N 6.456 129.375 122.820 0.166 0.000 2.324 216 A HA 0.919 5.239 4.320 -0.000 0.000 0.330 216 A C -1.123 176.562 177.584 0.168 0.000 1.165 216 A CA -0.651 51.485 52.037 0.165 0.000 0.813 216 A CB 1.111 20.234 19.000 0.204 0.000 1.197 216 A HN 0.933 nan 8.150 nan 0.000 0.484 217 L N 2.440 123.751 121.223 0.147 0.000 2.333 217 L HA 0.611 4.951 4.340 -0.000 0.000 0.280 217 L C -0.943 175.992 176.870 0.107 0.000 1.004 217 L CA -0.797 54.141 54.840 0.164 0.000 0.820 217 L CB 1.918 44.151 42.059 0.289 0.000 1.247 217 L HN 0.428 nan 8.230 nan 0.000 0.416 218 V N 3.006 122.886 119.914 -0.057 0.000 2.588 218 V HA 0.530 4.650 4.120 -0.000 0.000 0.304 218 V C -0.884 175.041 176.094 -0.282 0.000 1.042 218 V CA -0.539 61.722 62.300 -0.064 0.000 0.877 218 V CB 1.955 33.737 31.823 -0.068 0.000 0.996 218 V HN 0.403 nan 8.190 nan 0.000 0.425 219 F N 1.783 121.759 119.950 0.043 0.000 2.539 219 F HA 0.753 5.280 4.527 -0.000 0.000 0.318 219 F C 0.537 176.354 175.800 0.028 0.000 1.135 219 F CA -0.502 57.529 58.000 0.051 0.000 0.915 219 F CB 2.594 41.618 39.000 0.039 0.000 1.176 219 F HN 0.581 nan 8.300 nan 0.000 0.440 220 G N 3.838 112.745 108.800 0.179 0.000 3.405 220 G HA2 0.388 4.348 3.960 -0.000 0.000 0.318 220 G HA3 0.388 4.348 3.960 -0.000 0.000 0.318 220 G C -0.874 174.105 174.900 0.133 0.000 1.597 220 G CA -0.450 44.724 45.100 0.123 0.000 1.022 220 G HN 0.293 nan 8.290 nan 0.000 0.506 221 Q N 0.994 120.892 119.800 0.162 0.000 2.308 221 Q HA 0.218 4.558 4.340 -0.000 0.000 0.207 221 Q C 1.896 177.949 176.000 0.089 0.000 1.035 221 Q CA -0.678 55.215 55.803 0.150 0.000 1.008 221 Q CB 0.847 29.679 28.738 0.156 0.000 1.168 221 Q HN 0.751 nan 8.270 nan 0.000 0.565 222 M N -0.056 119.590 119.600 0.076 0.000 2.747 222 M HA -0.003 4.477 4.480 -0.000 0.000 0.221 222 M C 0.527 176.850 176.300 0.039 0.000 1.107 222 M CA 0.928 56.258 55.300 0.049 0.000 1.031 222 M CB -0.247 32.377 32.600 0.041 0.000 1.727 222 M HN 0.382 nan 8.290 nan 0.000 0.517 223 N N 0.265 118.990 118.700 0.041 0.000 2.322 223 N HA 0.062 4.802 4.740 -0.000 0.000 0.181 223 N C 0.325 175.851 175.510 0.028 0.000 1.088 223 N CA 0.829 53.897 53.050 0.030 0.000 0.885 223 N CB -0.145 38.358 38.487 0.026 0.000 1.013 223 N HN 0.557 nan 8.380 nan 0.000 0.472 224 E N 2.026 122.246 120.200 0.034 0.000 2.349 224 E HA 0.444 4.794 4.350 -0.000 0.000 0.262 224 E C -2.616 173.998 176.600 0.023 0.000 1.088 224 E CA -1.977 54.441 56.400 0.030 0.000 0.899 224 E CB -0.317 29.406 29.700 0.038 0.000 1.044 224 E HN 0.245 nan 8.360 nan 0.000 0.420 225 P HA 0.134 nan 4.420 nan 0.000 0.273 225 P C -1.843 175.464 177.300 0.012 0.000 1.250 225 P CA -0.995 62.113 63.100 0.014 0.000 0.793 225 P CB 0.350 32.059 31.700 0.014 0.000 1.011 226 P HA -0.171 nan 4.420 nan 0.000 0.216 226 P C 1.575 178.873 177.300 -0.002 0.000 1.150 226 P CA 1.920 65.015 63.100 -0.008 0.000 0.837 226 P CB -0.654 31.034 31.700 -0.020 0.000 0.786 227 G N 0.722 109.526 108.800 0.008 0.000 2.476 227 G HA2 -0.307 3.652 3.960 -0.000 0.000 0.218 227 G HA3 -0.307 3.652 3.960 -0.000 0.000 0.218 227 G C 1.790 176.709 174.900 0.031 0.000 1.164 227 G CA 1.443 46.556 45.100 0.021 0.000 0.768 227 G HN 0.369 nan 8.290 nan 0.000 0.560 228 A N 0.719 123.556 122.820 0.028 0.000 1.858 228 A HA -0.044 4.276 4.320 -0.000 0.000 0.216 228 A C 2.451 180.057 177.584 0.037 0.000 1.190 228 A CA 1.939 53.994 52.037 0.031 0.000 0.617 228 A CB -0.478 18.540 19.000 0.031 0.000 0.827 228 A HN 0.334 nan 8.150 nan 0.000 0.443 229 R N -0.553 119.968 120.500 0.033 0.000 2.127 229 R HA -0.055 4.285 4.340 -0.000 0.000 0.238 229 R C 2.142 178.480 176.300 0.062 0.000 1.134 229 R CA 1.216 57.339 56.100 0.038 0.000 0.975 229 R CB -0.395 29.917 30.300 0.019 0.000 0.865 229 R HN 0.515 nan 8.270 nan 0.000 0.447 230 A N -0.107 122.746 122.820 0.054 0.000 2.206 230 A HA 0.013 4.333 4.320 -0.000 0.000 0.211 230 A C 1.597 179.315 177.584 0.222 0.000 1.158 230 A CA 0.808 52.901 52.037 0.095 0.000 0.761 230 A CB 0.153 19.152 19.000 -0.002 0.000 0.801 230 A HN 0.054 nan 8.150 nan 0.000 0.473 231 R N -2.142 118.433 120.500 0.125 0.000 2.507 231 R HA 0.127 4.466 4.340 -0.000 0.000 0.230 231 R C 1.749 178.049 176.300 -0.001 0.000 0.897 231 R CA 0.899 57.042 56.100 0.071 0.000 1.006 231 R CB -0.870 29.452 30.300 0.036 0.000 1.341 231 R HN 0.323 nan 8.270 nan 0.000 0.604 232 V N 1.770 121.690 119.914 0.009 0.000 2.332 232 V HA -0.232 3.888 4.120 -0.000 0.000 0.248 232 V C 2.205 178.257 176.094 -0.070 0.000 1.055 232 V CA 2.386 64.671 62.300 -0.025 0.000 1.038 232 V CB -0.501 31.320 31.823 -0.002 0.000 0.651 232 V HN 0.314 nan 8.190 nan 0.000 0.450 233 A N -0.108 122.665 122.820 -0.079 0.000 1.958 233 A HA -0.226 4.094 4.320 -0.000 0.000 0.221 233 A C 2.143 179.618 177.584 -0.181 0.000 1.178 233 A CA 2.408 54.353 52.037 -0.155 0.000 0.642 233 A CB -0.658 18.213 19.000 -0.215 0.000 0.816 233 A HN 0.634 nan 8.150 nan 0.000 0.453 234 L N -1.239 119.881 121.223 -0.173 0.000 2.156 234 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 234 L C 2.663 179.442 176.870 -0.152 0.000 1.095 234 L CA 1.610 56.340 54.840 -0.183 0.000 0.770 234 L CB -1.161 40.774 42.059 -0.207 0.000 0.914 234 L HN 0.345 nan 8.230 nan 0.000 0.439 235 T N 0.079 114.556 114.554 -0.128 0.000 2.737 235 T HA -0.100 4.250 4.350 -0.000 0.000 0.265 235 T C 1.894 176.542 174.700 -0.086 0.000 1.038 235 T CA 1.445 63.483 62.100 -0.104 0.000 1.144 235 T CB -0.419 68.401 68.868 -0.079 0.000 0.866 235 T HN 0.534 nan 8.240 nan 0.000 0.434 236 G N 1.563 110.312 108.800 -0.085 0.000 2.418 236 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.217 236 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.217 236 G C 1.525 176.394 174.900 -0.051 0.000 1.158 236 G CA 0.680 45.744 45.100 -0.061 0.000 0.771 236 G HN 0.385 nan 8.290 nan 0.000 0.545 237 L N 1.229 122.399 121.223 -0.087 0.000 2.043 237 L HA -0.076 4.264 4.340 -0.000 0.000 0.212 237 L C 2.852 179.689 176.870 -0.055 0.000 1.075 237 L CA 2.614 57.405 54.840 -0.082 0.000 0.752 237 L CB -1.157 40.826 42.059 -0.126 0.000 0.891 237 L HN 0.201 nan 8.230 nan 0.000 0.432 238 T N -0.114 114.396 114.554 -0.072 0.000 2.720 238 T HA -0.184 4.166 4.350 -0.000 0.000 0.268 238 T C 1.977 176.640 174.700 -0.061 0.000 1.037 238 T CA 2.039 64.099 62.100 -0.067 0.000 1.144 238 T CB -0.325 68.489 68.868 -0.091 0.000 0.864 238 T HN 0.356 nan 8.240 nan 0.000 0.444 239 I N 1.182 121.712 120.570 -0.067 0.000 2.226 239 I HA -0.173 3.997 4.170 -0.000 0.000 0.245 239 I C 2.845 178.952 176.117 -0.017 0.000 1.100 239 I CA 1.092 62.333 61.300 -0.098 0.000 1.374 239 I CB -0.418 37.568 38.000 -0.023 0.000 1.057 239 I HN 0.184 nan 8.210 nan 0.000 0.413 240 A N 0.209 123.096 122.820 0.112 0.000 1.933 240 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 240 A C 2.209 179.885 177.584 0.153 0.000 1.175 240 A CA 1.659 53.826 52.037 0.217 0.000 0.628 240 A CB -0.538 18.529 19.000 0.112 0.000 0.814 240 A HN 0.432 nan 8.150 nan 0.000 0.444 241 E N -1.956 118.280 120.200 0.059 0.000 2.150 241 E HA -0.173 4.177 4.350 -0.000 0.000 0.193 241 E C 1.751 178.380 176.600 0.047 0.000 0.985 241 E CA 1.200 57.625 56.400 0.041 0.000 0.814 241 E CB -0.226 29.481 29.700 0.012 0.000 0.752 241 E HN 0.797 nan 8.360 nan 0.000 0.466 242 Y N -0.093 120.131 120.300 -0.125 0.000 2.220 242 Y HA -0.200 4.349 4.550 -0.000 0.000 0.291 242 Y C 1.651 177.492 175.900 -0.098 0.000 1.129 242 Y CA 1.310 59.303 58.100 -0.179 0.000 1.161 242 Y CB -0.118 38.142 38.460 -0.334 0.000 0.997 242 Y HN -0.040 nan 8.280 nan 0.000 0.522 243 F N 0.372 120.406 119.950 0.140 0.000 2.126 243 F HA -0.176 4.351 4.527 -0.000 0.000 0.299 243 F C 2.713 178.537 175.800 0.040 0.000 1.096 243 F CA 1.829 59.910 58.000 0.135 0.000 1.255 243 F CB -0.967 38.199 39.000 0.276 0.000 0.997 243 F HN -0.008 nan 8.300 nan 0.000 0.479 244 R N 0.382 121.000 120.500 0.196 0.000 2.070 244 R HA -0.153 4.187 4.340 -0.000 0.000 0.232 244 R C 1.722 178.025 176.300 0.005 0.000 1.138 244 R CA 2.168 58.319 56.100 0.086 0.000 0.936 244 R CB -0.352 29.983 30.300 0.059 0.000 0.839 244 R HN 0.147 nan 8.270 nan 0.000 0.429 245 D N -0.481 119.889 120.400 -0.050 0.000 2.216 245 D HA -0.050 4.590 4.640 -0.000 0.000 0.208 245 D C 1.675 177.885 176.300 -0.151 0.000 0.960 245 D CA 0.857 54.808 54.000 -0.082 0.000 0.861 245 D CB 0.187 40.948 40.800 -0.064 0.000 0.985 245 D HN 0.254 nan 8.370 nan 0.000 0.493 246 E N 0.312 120.317 120.200 -0.325 0.000 2.340 246 E HA 0.039 4.389 4.350 -0.000 0.000 0.198 246 E C 1.435 177.834 176.600 -0.335 0.000 0.961 246 E CA 0.320 56.458 56.400 -0.438 0.000 0.905 246 E CB 0.477 29.685 29.700 -0.820 0.000 0.884 246 E HN 0.298 nan 8.360 nan 0.000 0.491 247 E N 0.331 120.376 120.200 -0.258 0.000 2.472 247 E HA 0.093 4.443 4.350 -0.000 0.000 0.196 247 E C 0.462 177.096 176.600 0.058 0.000 1.033 247 E CA 0.255 56.665 56.400 0.016 0.000 0.886 247 E CB 0.591 30.472 29.700 0.303 0.000 0.944 247 E HN 0.188 nan 8.360 nan 0.000 0.492 248 G N 2.729 111.535 108.800 0.009 0.000 2.247 248 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.260 248 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.260 248 G C -0.206 174.703 174.900 0.015 0.000 0.852 248 G CA 0.828 45.931 45.100 0.006 0.000 1.281 248 G HN 0.236 nan 8.290 nan 0.000 0.378 249 Q N 0.392 120.212 119.800 0.034 0.000 2.313 249 Q HA 0.257 4.597 4.340 -0.000 0.000 0.255 249 Q C -0.997 175.008 176.000 0.007 0.000 0.944 249 Q CA -0.946 54.846 55.803 -0.019 0.000 0.881 249 Q CB 1.268 29.975 28.738 -0.052 0.000 1.375 249 Q HN 0.350 nan 8.270 nan 0.000 0.422 250 D N 2.606 123.005 120.400 -0.001 0.000 2.659 250 D HA -0.012 4.628 4.640 -0.000 0.000 0.275 250 D C -0.188 176.231 176.300 0.198 0.000 1.407 250 D CA 0.697 54.760 54.000 0.106 0.000 1.033 250 D CB -0.088 40.818 40.800 0.177 0.000 1.139 250 D HN 0.147 nan 8.370 nan 0.000 0.565 251 V N 2.157 122.140 119.914 0.115 0.000 2.904 251 V HA 0.387 4.507 4.120 -0.000 0.000 0.305 251 V C 0.716 176.818 176.094 0.013 0.000 1.067 251 V CA -0.895 61.470 62.300 0.108 0.000 1.044 251 V CB 1.312 33.225 31.823 0.151 0.000 1.050 251 V HN 0.269 nan 8.190 nan 0.000 0.475 252 L N 3.353 124.578 121.223 0.003 0.000 2.362 252 L HA 0.580 4.920 4.340 -0.000 0.000 0.275 252 L C -1.015 175.763 176.870 -0.152 0.000 0.998 252 L CA -0.521 54.222 54.840 -0.162 0.000 0.820 252 L CB 1.833 43.847 42.059 -0.075 0.000 1.270 252 L HN 0.467 nan 8.230 nan 0.000 0.415 253 L N 3.811 124.800 121.223 -0.391 0.000 2.356 253 L HA 0.620 4.960 4.340 -0.000 0.000 0.277 253 L C -1.436 175.110 176.870 -0.541 0.000 0.996 253 L CA -0.019 54.653 54.840 -0.280 0.000 0.822 253 L CB 1.253 43.202 42.059 -0.183 0.000 1.256 253 L HN 0.229 nan 8.230 nan 0.000 0.413 254 F N 5.884 125.754 119.950 -0.134 0.000 2.493 254 F HA 0.627 5.154 4.527 -0.000 0.000 0.329 254 F C -0.118 175.370 175.800 -0.520 0.000 1.126 254 F CA -0.539 57.315 58.000 -0.242 0.000 0.937 254 F CB 1.597 40.543 39.000 -0.091 0.000 1.146 254 F HN 0.198 nan 8.300 nan 0.000 0.442 255 I N 2.835 123.221 120.570 -0.306 0.000 2.439 255 I HA 0.275 4.445 4.170 -0.000 0.000 0.285 255 I C -1.356 174.573 176.117 -0.312 0.000 1.021 255 I CA -0.505 60.560 61.300 -0.392 0.000 1.091 255 I CB 1.820 39.658 38.000 -0.269 0.000 1.242 255 I HN 0.442 nan 8.210 nan 0.000 0.439 256 D N 6.876 127.050 120.400 -0.376 0.000 2.471 256 D HA 0.290 4.930 4.640 -0.000 0.000 0.245 256 D C -1.268 174.995 176.300 -0.062 0.000 1.116 256 D CA -0.202 53.729 54.000 -0.114 0.000 0.853 256 D CB 1.290 42.122 40.800 0.053 0.000 1.123 256 D HN 0.479 nan 8.370 nan 0.000 0.540 257 N N 4.530 123.225 118.700 -0.008 0.000 2.371 257 N HA 0.128 4.868 4.740 -0.000 0.000 0.291 257 N C 0.405 175.940 175.510 0.041 0.000 1.053 257 N CA -0.487 52.577 53.050 0.023 0.000 0.870 257 N CB 1.636 40.182 38.487 0.098 0.000 1.503 257 N HN 0.283 nan 8.380 nan 0.000 0.485 258 I N 3.997 124.568 120.570 0.002 0.000 2.493 258 I HA -0.069 4.100 4.170 -0.000 0.000 0.254 258 I C 1.738 177.933 176.117 0.130 0.000 1.160 258 I CA 0.768 62.077 61.300 0.015 0.000 1.445 258 I CB -0.492 37.459 38.000 -0.082 0.000 1.086 258 I HN 0.643 nan 8.210 nan 0.000 0.433 259 F N 1.461 121.439 119.950 0.046 0.000 2.192 259 F HA -0.246 4.281 4.527 -0.000 0.000 0.301 259 F C 2.265 178.140 175.800 0.126 0.000 1.079 259 F CA 1.550 59.616 58.000 0.111 0.000 1.303 259 F CB -0.333 38.782 39.000 0.191 0.000 1.024 259 F HN -0.019 nan 8.300 nan 0.000 0.494 260 R N -0.227 120.269 120.500 -0.005 0.000 2.237 260 R HA -0.154 4.185 4.340 -0.000 0.000 0.219 260 R C 2.112 178.347 176.300 -0.108 0.000 1.080 260 R CA 1.165 57.203 56.100 -0.103 0.000 0.995 260 R CB -1.434 28.894 30.300 0.047 0.000 0.875 260 R HN 0.505 nan 8.270 nan 0.000 0.462 261 F N 1.383 121.229 119.950 -0.173 0.000 2.163 261 F HA -0.095 4.432 4.527 -0.000 0.000 0.297 261 F C 1.897 177.603 175.800 -0.157 0.000 1.094 261 F CA 1.385 59.304 58.000 -0.136 0.000 1.290 261 F CB -0.383 38.551 39.000 -0.110 0.000 1.017 261 F HN -0.175 nan 8.300 nan 0.000 0.483 262 T N 0.438 114.698 114.554 -0.489 0.000 2.812 262 T HA -0.201 4.149 4.350 -0.000 0.000 0.264 262 T C 1.914 176.366 174.700 -0.414 0.000 1.042 262 T CA 1.478 63.256 62.100 -0.537 0.000 1.140 262 T CB -0.388 68.300 68.868 -0.299 0.000 0.870 262 T HN 0.432 nan 8.240 nan 0.000 0.445 263 Q N 0.745 120.202 119.800 -0.572 0.000 2.061 263 Q HA -0.146 4.194 4.340 -0.000 0.000 0.204 263 Q C 2.510 178.371 176.000 -0.231 0.000 0.984 263 Q CA 1.654 57.199 55.803 -0.430 0.000 0.846 263 Q CB -0.312 28.059 28.738 -0.611 0.000 0.902 263 Q HN 0.531 nan 8.270 nan 0.000 0.421 264 A N 0.477 123.156 122.820 -0.235 0.000 1.908 264 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 264 A C 2.274 179.761 177.584 -0.161 0.000 1.181 264 A CA 1.714 53.661 52.037 -0.151 0.000 0.627 264 A CB -1.344 17.587 19.000 -0.115 0.000 0.818 264 A HN 0.620 nan 8.150 nan 0.000 0.445 265 G N -0.010 108.633 108.800 -0.261 0.000 2.440 265 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.218 265 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.218 265 G C 1.971 176.797 174.900 -0.124 0.000 1.154 265 G CA 1.882 46.844 45.100 -0.230 0.000 0.767 265 G HN 0.941 nan 8.290 nan 0.000 0.552 266 S N 0.337 115.980 115.700 -0.095 0.000 2.447 266 S HA -0.003 4.467 4.470 -0.000 0.000 0.233 266 S C 1.903 176.471 174.600 -0.053 0.000 1.006 266 S CA 1.433 59.608 58.200 -0.042 0.000 0.957 266 S CB -0.210 62.981 63.200 -0.015 0.000 0.773 266 S HN 0.574 nan 8.310 nan 0.000 0.507 267 E N 0.771 120.935 120.200 -0.060 0.000 2.208 267 E HA -0.042 4.308 4.350 -0.000 0.000 0.193 267 E C 1.855 178.436 176.600 -0.031 0.000 0.988 267 E CA 1.384 57.758 56.400 -0.042 0.000 0.828 267 E CB -0.024 29.654 29.700 -0.038 0.000 0.763 267 E HN 0.720 nan 8.360 nan 0.000 0.478 268 V N -2.896 116.997 119.914 -0.035 0.000 3.477 268 V HA 0.162 4.281 4.120 -0.000 0.000 0.297 268 V C 1.962 178.044 176.094 -0.020 0.000 1.433 268 V CA 0.509 62.795 62.300 -0.023 0.000 1.052 268 V CB 0.735 32.546 31.823 -0.019 0.000 0.895 268 V HN 0.044 nan 8.190 nan 0.000 0.438 269 S N 2.005 117.689 115.700 -0.026 0.000 2.365 269 S HA -0.227 4.243 4.470 -0.000 0.000 0.225 269 S C 2.173 176.768 174.600 -0.009 0.000 1.039 269 S CA 2.573 60.762 58.200 -0.018 0.000 1.033 269 S CB -0.452 62.740 63.200 -0.014 0.000 0.887 269 S HN 1.088 nan 8.310 nan 0.000 0.447 270 A N 1.507 124.321 122.820 -0.010 0.000 1.858 270 A HA 0.067 4.387 4.320 -0.000 0.000 0.216 270 A C 2.232 179.815 177.584 -0.002 0.000 1.190 270 A CA 1.565 53.599 52.037 -0.005 0.000 0.617 270 A CB -0.934 18.062 19.000 -0.008 0.000 0.827 270 A HN 0.600 nan 8.150 nan 0.000 0.443 271 L N -0.619 120.603 121.223 -0.002 0.000 2.450 271 L HA -0.065 4.275 4.340 -0.000 0.000 0.224 271 L C 1.800 178.674 176.870 0.005 0.000 1.149 271 L CA 0.417 55.259 54.840 0.002 0.000 0.816 271 L CB -0.381 41.680 42.059 0.002 0.000 0.932 271 L HN 0.354 nan 8.230 nan 0.000 0.449 272 L N -0.267 120.957 121.223 0.002 0.000 2.591 272 L HA 0.147 4.487 4.340 -0.000 0.000 0.228 272 L C 1.184 178.058 176.870 0.006 0.000 1.133 272 L CA 0.351 55.194 54.840 0.005 0.000 0.880 272 L CB -0.167 41.891 42.059 -0.001 0.000 1.033 272 L HN 0.457 nan 8.230 nan 0.000 0.450 273 G N 0.942 109.745 108.800 0.005 0.000 2.165 273 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.226 273 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.226 273 G C -0.060 174.843 174.900 0.005 0.000 1.035 273 G CA -0.319 44.785 45.100 0.007 0.000 0.744 273 G HN 0.309 nan 8.290 nan 0.000 0.501 274 R N -0.688 119.814 120.500 0.003 0.000 2.514 274 R HA 0.668 5.008 4.340 -0.000 0.000 0.301 274 R C 0.872 177.175 176.300 0.006 0.000 0.962 274 R CA -0.851 55.252 56.100 0.004 0.000 0.882 274 R CB 1.190 31.492 30.300 0.004 0.000 1.143 274 R HN 0.283 nan 8.270 nan 0.000 0.452 275 I N 5.407 125.981 120.570 0.008 0.000 2.598 275 I HA 0.085 4.255 4.170 -0.000 0.000 0.284 275 I C -1.525 174.601 176.117 0.014 0.000 1.140 275 I CA -1.409 59.896 61.300 0.010 0.000 1.420 275 I CB 0.455 38.461 38.000 0.010 0.000 1.387 275 I HN 0.339 nan 8.210 nan 0.000 0.553 276 P HA 0.037 nan 4.420 nan 0.000 0.269 276 P C -0.138 177.182 177.300 0.034 0.000 1.209 276 P CA -0.146 62.966 63.100 0.021 0.000 0.776 276 P CB 1.174 32.880 31.700 0.010 0.000 0.876 277 S N 1.446 117.179 115.700 0.056 0.000 2.484 277 S HA 0.463 4.933 4.470 -0.000 0.000 0.256 277 S C 0.336 174.981 174.600 0.075 0.000 1.223 277 S CA -0.155 58.087 58.200 0.069 0.000 1.002 277 S CB -0.216 63.039 63.200 0.093 0.000 1.043 277 S HN 0.640 nan 8.310 nan 0.000 0.517 278 A N -0.147 122.729 122.820 0.094 0.000 2.407 278 A HA 0.509 4.829 4.320 -0.000 0.000 0.248 278 A C 0.947 178.609 177.584 0.130 0.000 1.082 278 A CA 0.139 52.232 52.037 0.092 0.000 0.785 278 A CB -0.217 18.835 19.000 0.088 0.000 1.020 278 A HN 1.585 nan 8.150 nan 0.000 0.489 279 V N 0.829 120.788 119.914 0.075 0.000 2.418 279 V HA -0.310 3.810 4.120 -0.000 0.000 0.129 279 V C 1.704 177.737 176.094 -0.101 0.000 0.469 279 V CA 1.835 64.156 62.300 0.036 0.000 1.298 279 V CB -2.263 29.646 31.823 0.143 0.000 1.512 279 V HN 2.910 nan 8.190 nan 0.000 1.004 280 G N -2.765 105.996 108.800 -0.064 0.000 2.175 280 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.244 280 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.244 280 G C -0.185 174.628 174.900 -0.145 0.000 0.982 280 G CA 0.241 45.266 45.100 -0.125 0.000 0.641 280 G HN 0.828 nan 8.290 nan 0.000 0.527 281 Y N 0.838 121.152 120.300 0.024 0.000 2.295 281 Y HA 0.544 5.094 4.550 -0.000 0.000 0.331 281 Y C 1.274 177.169 175.900 -0.008 0.000 1.311 281 Y CA -0.420 57.684 58.100 0.007 0.000 1.430 281 Y CB 0.400 38.873 38.460 0.021 0.000 1.339 281 Y HN 0.270 nan 8.280 nan 0.000 0.552 282 Q N 2.358 122.267 119.800 0.181 0.000 2.386 282 Q HA 0.037 4.377 4.340 -0.000 0.000 0.282 282 Q C -1.768 174.273 176.000 0.068 0.000 1.050 282 Q CA -0.854 54.993 55.803 0.074 0.000 0.918 282 Q CB -0.162 28.589 28.738 0.021 0.000 1.266 282 Q HN 0.334 nan 8.270 nan 0.000 0.423 283 P HA -0.130 nan 4.420 nan 0.000 0.222 283 P C 0.460 177.775 177.300 0.024 0.000 1.147 283 P CA 1.208 64.328 63.100 0.033 0.000 0.790 283 P CB 0.157 31.870 31.700 0.022 0.000 0.780 284 T N -4.077 110.485 114.554 0.014 0.000 3.144 284 T HA 0.137 4.487 4.350 -0.000 0.000 0.249 284 T C 1.516 176.219 174.700 0.005 0.000 1.089 284 T CA -0.269 61.836 62.100 0.008 0.000 0.989 284 T CB -1.007 67.861 68.868 -0.000 0.000 0.992 284 T HN -0.036 nan 8.240 nan 0.000 0.540 285 L N 1.389 122.609 121.223 -0.005 0.000 2.011 285 L HA -0.250 4.090 4.340 -0.000 0.000 0.225 285 L C 2.843 179.718 176.870 0.008 0.000 1.084 285 L CA 2.352 57.171 54.840 -0.036 0.000 0.791 285 L CB -0.801 41.206 42.059 -0.087 0.000 0.898 285 L HN 0.393 nan 8.230 nan 0.000 0.440 286 A N -1.132 121.704 122.820 0.027 0.000 1.902 286 A HA -0.228 4.092 4.320 -0.000 0.000 0.217 286 A C 2.314 179.952 177.584 0.091 0.000 1.181 286 A CA 2.442 54.520 52.037 0.068 0.000 0.623 286 A CB -1.218 17.816 19.000 0.057 0.000 0.818 286 A HN 0.682 nan 8.150 nan 0.000 0.443 287 T N -2.366 112.227 114.554 0.065 0.000 2.896 287 T HA -0.090 4.260 4.350 -0.000 0.000 0.263 287 T C 1.290 176.037 174.700 0.078 0.000 1.050 287 T CA 1.298 63.437 62.100 0.065 0.000 1.140 287 T CB -0.463 68.429 68.868 0.040 0.000 0.877 287 T HN 0.324 nan 8.240 nan 0.000 0.457 288 D N 0.838 121.291 120.400 0.089 0.000 2.182 288 D HA -0.026 4.614 4.640 -0.000 0.000 0.201 288 D C 1.851 178.313 176.300 0.268 0.000 0.986 288 D CA 0.868 54.967 54.000 0.166 0.000 0.847 288 D CB -0.309 40.554 40.800 0.104 0.000 0.942 288 D HN 0.409 nan 8.370 nan 0.000 0.467 289 M N -0.190 119.525 119.600 0.192 0.000 2.334 289 M HA 0.047 4.527 4.480 -0.000 0.000 0.266 289 M C 1.965 178.210 176.300 -0.091 0.000 1.082 289 M CA 1.177 56.553 55.300 0.126 0.000 1.141 289 M CB 0.146 32.814 32.600 0.113 0.000 1.380 289 M HN 0.008 nan 8.290 nan 0.000 0.440 290 G N 0.777 109.587 108.800 0.016 0.000 2.421 290 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.216 290 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.216 290 G C 1.323 176.207 174.900 -0.026 0.000 1.171 290 G CA 0.598 45.717 45.100 0.031 0.000 0.775 290 G HN 0.434 nan 8.290 nan 0.000 0.543 291 L N -0.342 120.882 121.223 0.001 0.000 2.353 291 L HA 0.004 4.344 4.340 -0.000 0.000 0.220 291 L C 2.493 179.323 176.870 -0.067 0.000 1.133 291 L CA 0.208 55.045 54.840 -0.005 0.000 0.798 291 L CB -0.167 41.912 42.059 0.034 0.000 0.922 291 L HN 0.246 nan 8.230 nan 0.000 0.445 292 L N -1.520 119.611 121.223 -0.153 0.000 2.265 292 L HA -0.005 4.335 4.340 -0.000 0.000 0.195 292 L C 2.485 179.196 176.870 -0.265 0.000 1.083 292 L CA 1.347 56.018 54.840 -0.281 0.000 0.798 292 L CB -0.607 41.111 42.059 -0.569 0.000 0.989 292 L HN 0.056 nan 8.230 nan 0.000 0.472 293 Q N 0.402 120.004 119.800 -0.329 0.000 2.061 293 Q HA -0.201 4.139 4.340 -0.000 0.000 0.204 293 Q C 1.949 177.857 176.000 -0.153 0.000 0.984 293 Q CA 1.709 57.318 55.803 -0.323 0.000 0.846 293 Q CB -0.510 27.824 28.738 -0.674 0.000 0.902 293 Q HN 0.585 nan 8.270 nan 0.000 0.421 294 E N 0.499 120.646 120.200 -0.087 0.000 2.396 294 E HA -0.161 4.189 4.350 -0.000 0.000 0.200 294 E C 1.890 178.475 176.600 -0.025 0.000 1.023 294 E CA 0.562 56.960 56.400 -0.003 0.000 0.857 294 E CB -0.078 29.644 29.700 0.038 0.000 0.775 294 E HN 0.332 nan 8.360 nan 0.000 0.525 295 R N 0.084 120.547 120.500 -0.062 0.000 2.127 295 R HA 0.130 4.470 4.340 -0.000 0.000 0.217 295 R C 1.035 177.297 176.300 -0.064 0.000 1.074 295 R CA 0.253 56.318 56.100 -0.058 0.000 0.991 295 R CB 0.157 30.412 30.300 -0.075 0.000 0.895 295 R HN 0.073 nan 8.270 nan 0.000 0.450 296 I N 1.762 122.279 120.570 -0.089 0.000 2.347 296 I HA 0.050 4.220 4.170 -0.000 0.000 0.294 296 I C 0.036 176.114 176.117 -0.065 0.000 1.090 296 I CA 0.421 61.666 61.300 -0.092 0.000 1.314 296 I CB 0.862 38.783 38.000 -0.131 0.000 1.423 296 I HN 0.008 nan 8.210 nan 0.000 0.503 297 T N 3.081 117.605 114.554 -0.051 0.000 2.843 297 T HA 0.137 4.487 4.350 -0.000 0.000 0.337 297 T C -0.589 174.093 174.700 -0.031 0.000 1.754 297 T CA -0.574 61.504 62.100 -0.036 0.000 1.052 297 T CB 1.243 70.100 68.868 -0.019 0.000 1.588 297 T HN 0.421 nan 8.240 nan 0.000 0.493 298 T N 3.605 118.141 114.554 -0.030 0.000 2.851 298 T HA 0.538 4.887 4.350 -0.000 0.000 0.298 298 T C 0.770 175.453 174.700 -0.027 0.000 0.977 298 T CA 0.061 62.146 62.100 -0.026 0.000 1.126 298 T CB 0.666 69.518 68.868 -0.026 0.000 0.916 298 T HN 0.860 nan 8.240 nan 0.000 0.529 299 T N 0.242 114.782 114.554 -0.025 0.000 2.870 299 T HA 0.434 4.784 4.350 -0.000 0.000 0.277 299 T C 1.049 175.729 174.700 -0.033 0.000 1.000 299 T CA -1.029 61.052 62.100 -0.031 0.000 0.982 299 T CB 1.152 70.004 68.868 -0.026 0.000 1.249 299 T HN 0.412 nan 8.240 nan 0.000 0.589 300 K N -0.073 120.303 120.400 -0.039 0.000 2.432 300 K HA 0.073 4.393 4.320 -0.000 0.000 0.196 300 K C 1.851 178.434 176.600 -0.029 0.000 1.038 300 K CA 0.553 56.818 56.287 -0.037 0.000 0.986 300 K CB 0.000 32.474 32.500 -0.044 0.000 0.782 300 K HN 0.498 nan 8.250 nan 0.000 0.485 301 K N 0.196 120.580 120.400 -0.026 0.000 2.314 301 K HA 0.034 4.354 4.320 -0.000 0.000 0.198 301 K C 0.672 177.262 176.600 -0.018 0.000 1.045 301 K CA 0.299 56.572 56.287 -0.024 0.000 0.988 301 K CB 0.693 33.176 32.500 -0.028 0.000 0.783 301 K HN 0.182 nan 8.250 nan 0.000 0.484 302 G N -0.209 108.583 108.800 -0.014 0.000 2.340 302 G HA2 0.079 4.039 3.960 -0.000 0.000 0.298 302 G HA3 0.079 4.039 3.960 -0.000 0.000 0.298 302 G C -1.672 173.227 174.900 -0.001 0.000 1.498 302 G CA -0.781 44.318 45.100 -0.003 0.000 0.847 302 G HN -0.102 nan 8.290 nan 0.000 0.594 303 S N -1.206 114.498 115.700 0.007 0.000 2.554 303 S HA 0.695 5.165 4.470 -0.000 0.000 0.278 303 S C -0.213 174.388 174.600 0.003 0.000 1.242 303 S CA -0.481 57.720 58.200 0.002 0.000 1.051 303 S CB 1.178 64.384 63.200 0.010 0.000 0.986 303 S HN 1.134 nan 8.310 nan 0.000 0.502 304 V N 4.713 124.613 119.914 -0.023 0.000 2.443 304 V HA 0.401 4.521 4.120 -0.000 0.000 0.293 304 V C -0.207 175.831 176.094 -0.093 0.000 1.021 304 V CA -0.736 61.535 62.300 -0.048 0.000 0.848 304 V CB 1.731 33.526 31.823 -0.047 0.000 0.998 304 V HN 0.950 nan 8.190 nan 0.000 0.424 305 T N 3.722 118.189 114.554 -0.144 0.000 2.743 305 T HA 0.463 4.813 4.350 -0.000 0.000 0.292 305 T C 0.074 174.591 174.700 -0.305 0.000 0.972 305 T CA -0.398 61.581 62.100 -0.201 0.000 0.967 305 T CB 0.867 69.603 68.868 -0.220 0.000 0.926 305 T HN 0.788 nan 8.240 nan 0.000 0.459 306 S N 2.216 117.745 115.700 -0.285 0.000 2.552 306 S HA 0.666 5.136 4.470 -0.000 0.000 0.314 306 S C -0.423 173.967 174.600 -0.349 0.000 1.099 306 S CA -0.855 57.143 58.200 -0.338 0.000 1.070 306 S CB 1.189 64.247 63.200 -0.236 0.000 0.998 306 S HN 0.399 nan 8.310 nan 0.000 0.474 307 V N 3.462 123.120 119.914 -0.427 0.000 2.398 307 V HA 0.502 4.622 4.120 -0.000 0.000 0.286 307 V C -0.351 175.615 176.094 -0.213 0.000 1.026 307 V CA -0.477 61.650 62.300 -0.289 0.000 0.868 307 V CB 1.286 33.014 31.823 -0.158 0.000 0.982 307 V HN 0.948 nan 8.190 nan 0.000 0.443 308 Q N 2.597 122.275 119.800 -0.204 0.000 2.337 308 Q HA 0.736 5.076 4.340 -0.000 0.000 0.270 308 Q C -0.507 175.368 176.000 -0.207 0.000 1.043 308 Q CA -0.544 55.138 55.803 -0.201 0.000 0.794 308 Q CB 2.537 31.136 28.738 -0.230 0.000 1.281 308 Q HN 0.916 nan 8.270 nan 0.000 0.446 309 A N 2.098 124.831 122.820 -0.145 0.000 2.363 309 A HA 0.602 4.922 4.320 -0.000 0.000 0.270 309 A C -0.515 176.958 177.584 -0.186 0.000 1.121 309 A CA -0.362 51.596 52.037 -0.132 0.000 0.800 309 A CB 0.636 19.629 19.000 -0.012 0.000 1.052 309 A HN 0.481 nan 8.150 nan 0.000 0.493 310 V N 3.591 123.327 119.914 -0.296 0.000 2.409 310 V HA 0.166 4.286 4.120 -0.000 0.000 0.290 310 V C -0.630 175.398 176.094 -0.110 0.000 1.017 310 V CA -0.555 61.554 62.300 -0.317 0.000 0.841 310 V CB 0.844 32.117 31.823 -0.917 0.000 1.003 310 V HN 0.823 nan 8.190 nan 0.000 0.426 311 Y N 5.062 125.304 120.300 -0.097 0.000 2.597 311 Y HA 0.309 4.859 4.550 -0.000 0.000 0.336 311 Y C 0.078 175.837 175.900 -0.235 0.000 1.216 311 Y CA 0.175 58.166 58.100 -0.181 0.000 1.463 311 Y CB 0.981 39.257 38.460 -0.307 0.000 1.303 311 Y HN 0.380 nan 8.280 nan 0.000 0.576 312 V N 9.213 128.684 119.914 -0.737 0.000 2.305 312 V HA 0.265 4.385 4.120 -0.000 0.000 0.275 312 V C -2.291 173.269 176.094 -0.890 0.000 1.020 312 V CA -2.098 59.873 62.300 -0.549 0.000 0.811 312 V CB 1.010 32.739 31.823 -0.157 0.000 1.031 312 V HN 0.717 nan 8.190 nan 0.000 0.439 313 P HA 0.066 nan 4.420 nan 0.000 0.261 313 P C 0.632 177.751 177.300 -0.301 0.000 1.183 313 P CA 0.799 63.523 63.100 -0.626 0.000 0.761 313 P CB 0.512 32.078 31.700 -0.224 0.000 0.785 314 A N 4.196 126.890 122.820 -0.209 0.000 2.704 314 A HA -0.256 4.064 4.320 -0.000 0.000 0.299 314 A C 1.069 178.598 177.584 -0.092 0.000 1.507 314 A CA 1.157 53.143 52.037 -0.084 0.000 0.776 314 A CB -2.512 16.473 19.000 -0.025 0.000 1.027 314 A HN 0.633 nan 8.150 nan 0.000 0.475 315 D N -1.790 118.526 120.400 -0.141 0.000 3.070 315 D HA -0.189 4.451 4.640 -0.000 0.000 0.220 315 D C -0.192 176.069 176.300 -0.065 0.000 1.176 315 D CA 2.226 56.172 54.000 -0.090 0.000 0.924 315 D CB -0.709 40.066 40.800 -0.042 0.000 1.124 315 D HN 0.925 nan 8.370 nan 0.000 0.411 316 D N -0.010 120.345 120.400 -0.075 0.000 2.499 316 D HA 0.224 4.864 4.640 -0.000 0.000 0.225 316 D C 1.463 177.761 176.300 -0.003 0.000 1.124 316 D CA -0.344 53.638 54.000 -0.031 0.000 0.938 316 D CB -0.010 40.781 40.800 -0.016 0.000 1.014 316 D HN 0.149 nan 8.370 nan 0.000 0.517 317 L N 2.029 123.262 121.223 0.016 0.000 2.447 317 L HA -0.118 4.221 4.340 -0.000 0.000 0.225 317 L C 2.065 178.982 176.870 0.079 0.000 1.148 317 L CA 1.397 56.284 54.840 0.079 0.000 0.808 317 L CB -0.431 41.662 42.059 0.057 0.000 0.928 317 L HN 0.457 nan 8.230 nan 0.000 0.448 318 T N -5.130 109.444 114.554 0.033 0.000 3.086 318 T HA -0.004 4.346 4.350 -0.000 0.000 0.250 318 T C 0.698 175.438 174.700 0.067 0.000 1.074 318 T CA -0.484 61.633 62.100 0.029 0.000 0.988 318 T CB -0.252 68.616 68.868 0.000 0.000 0.988 318 T HN 0.172 nan 8.240 nan 0.000 0.530 319 D N 2.755 123.208 120.400 0.090 0.000 2.488 319 D HA 0.043 4.683 4.640 -0.000 0.000 0.238 319 D C -1.461 174.923 176.300 0.139 0.000 1.138 319 D CA -1.561 52.526 54.000 0.145 0.000 0.873 319 D CB 1.585 42.480 40.800 0.157 0.000 1.183 319 D HN -0.026 nan 8.370 nan 0.000 0.458 320 P HA -0.217 nan 4.420 nan 0.000 0.218 320 P C 0.896 178.130 177.300 -0.111 0.000 1.154 320 P CA 2.227 65.317 63.100 -0.017 0.000 0.872 320 P CB 0.097 31.752 31.700 -0.075 0.000 0.790 321 A N -0.156 122.549 122.820 -0.191 0.000 1.841 321 A HA -0.109 4.211 4.320 -0.000 0.000 0.214 321 A C 0.040 177.714 177.584 0.150 0.000 1.195 321 A CA 2.220 54.218 52.037 -0.066 0.000 0.611 321 A CB -2.202 16.900 19.000 0.170 0.000 0.835 321 A HN 0.226 nan 8.150 nan 0.000 0.443 322 P HA -0.114 nan 4.420 nan 0.000 0.215 322 P C 1.629 179.168 177.300 0.398 0.000 1.157 322 P CA 1.993 65.281 63.100 0.314 0.000 0.859 322 P CB -0.268 31.629 31.700 0.328 0.000 0.786 323 A N -0.078 122.948 122.820 0.342 0.000 1.986 323 A HA -0.179 4.141 4.320 -0.000 0.000 0.220 323 A C 2.211 179.975 177.584 0.300 0.000 1.171 323 A CA 2.537 54.776 52.037 0.336 0.000 0.640 323 A CB -1.920 17.163 19.000 0.138 0.000 0.811 323 A HN 0.261 nan 8.150 nan 0.000 0.451 324 T N -0.939 113.742 114.554 0.212 0.000 3.043 324 T HA -0.026 4.324 4.350 -0.000 0.000 0.263 324 T C 1.853 176.709 174.700 0.260 0.000 1.094 324 T CA 1.432 63.639 62.100 0.179 0.000 1.127 324 T CB -0.223 68.712 68.868 0.112 0.000 0.905 324 T HN 0.550 nan 8.240 nan 0.000 0.490 325 T N 1.929 116.654 114.554 0.286 0.000 2.821 325 T HA 0.015 4.365 4.350 -0.000 0.000 0.267 325 T C 1.497 176.380 174.700 0.306 0.000 1.046 325 T CA 0.809 63.077 62.100 0.280 0.000 1.139 325 T CB -0.522 68.439 68.868 0.154 0.000 0.871 325 T HN 0.273 nan 8.240 nan 0.000 0.454 326 F N 2.188 122.304 119.950 0.276 0.000 2.032 326 F HA -0.231 4.296 4.527 -0.000 0.000 0.297 326 F C 2.781 178.622 175.800 0.068 0.000 1.125 326 F CA 1.384 59.466 58.000 0.137 0.000 1.202 326 F CB -1.063 37.892 39.000 -0.074 0.000 0.958 326 F HN 0.139 nan 8.300 nan 0.000 0.491 327 A N -1.331 121.599 122.820 0.183 0.000 2.093 327 A HA -0.247 4.073 4.320 -0.000 0.000 0.222 327 A C 1.658 179.167 177.584 -0.125 0.000 1.162 327 A CA 1.889 53.913 52.037 -0.021 0.000 0.655 327 A CB -1.066 17.856 19.000 -0.128 0.000 0.805 327 A HN 0.569 nan 8.150 nan 0.000 0.461 328 H N -1.416 117.707 119.070 0.088 0.000 2.533 328 H HA 0.351 4.907 4.556 -0.000 0.000 0.271 328 H C -0.334 175.008 175.328 0.023 0.000 1.000 328 H CA 0.317 56.390 56.048 0.041 0.000 1.149 328 H CB -0.084 29.689 29.762 0.019 0.000 1.375 328 H HN 0.349 nan 8.280 nan 0.000 0.582 329 L N 0.375 121.674 121.223 0.126 0.000 2.365 329 L HA 0.210 4.550 4.340 -0.000 0.000 0.273 329 L C 0.758 177.667 176.870 0.064 0.000 1.000 329 L CA -0.588 54.302 54.840 0.083 0.000 0.819 329 L CB 2.419 44.543 42.059 0.108 0.000 1.284 329 L HN -0.116 nan 8.230 nan 0.000 0.418 330 D N 1.913 122.332 120.400 0.031 0.000 2.289 330 D HA 0.143 4.783 4.640 -0.000 0.000 0.207 330 D C 0.346 176.677 176.300 0.052 0.000 0.966 330 D CA 0.644 54.664 54.000 0.034 0.000 0.868 330 D CB 0.882 41.691 40.800 0.016 0.000 0.943 330 D HN 0.537 nan 8.370 nan 0.000 0.514 331 A N 0.351 123.200 122.820 0.048 0.000 2.513 331 A HA 0.505 4.825 4.320 -0.000 0.000 0.296 331 A C -0.516 177.119 177.584 0.085 0.000 1.052 331 A CA -0.725 51.368 52.037 0.092 0.000 0.714 331 A CB 1.335 20.430 19.000 0.160 0.000 1.279 331 A HN -0.030 nan 8.150 nan 0.000 0.397 332 T N -0.362 114.281 114.554 0.148 0.000 2.856 332 T HA 0.769 5.119 4.350 -0.000 0.000 0.283 332 T C -0.391 174.420 174.700 0.184 0.000 1.008 332 T CA -0.618 61.593 62.100 0.185 0.000 0.997 332 T CB 1.592 70.589 68.868 0.215 0.000 0.992 332 T HN 0.558 nan 8.240 nan 0.000 0.454 333 T N 2.428 117.084 114.554 0.170 0.000 2.833 333 T HA 0.487 4.837 4.350 -0.000 0.000 0.297 333 T C -0.215 174.542 174.700 0.096 0.000 1.015 333 T CA -0.575 61.583 62.100 0.098 0.000 0.963 333 T CB 0.941 69.800 68.868 -0.014 0.000 0.955 333 T HN 0.604 nan 8.240 nan 0.000 0.449 334 V N 5.329 125.301 119.914 0.096 0.000 2.407 334 V HA 0.424 4.544 4.120 -0.000 0.000 0.278 334 V C 0.113 176.239 176.094 0.054 0.000 1.037 334 V CA -0.807 61.560 62.300 0.112 0.000 0.900 334 V CB 1.109 32.983 31.823 0.085 0.000 0.983 334 V HN 0.731 nan 8.190 nan 0.000 0.459 335 L N 3.660 124.915 121.223 0.054 0.000 2.325 335 L HA 0.548 4.888 4.340 -0.000 0.000 0.279 335 L C 0.340 177.233 176.870 0.038 0.000 1.054 335 L CA 0.075 54.937 54.840 0.036 0.000 0.804 335 L CB 1.656 43.740 42.059 0.042 0.000 1.200 335 L HN 0.600 nan 8.230 nan 0.000 0.436 336 S N 1.101 116.813 115.700 0.020 0.000 2.473 336 S HA 0.347 4.817 4.470 -0.000 0.000 0.307 336 S C 0.699 175.294 174.600 -0.008 0.000 1.094 336 S CA -0.674 57.530 58.200 0.006 0.000 1.070 336 S CB 1.806 65.006 63.200 -0.000 0.000 1.019 336 S HN 0.693 nan 8.310 nan 0.000 0.480 337 R N 3.204 123.703 120.500 -0.002 0.000 2.070 337 R HA -0.042 4.298 4.340 -0.000 0.000 0.233 337 R C 2.106 178.393 176.300 -0.022 0.000 1.137 337 R CA 2.053 58.152 56.100 -0.003 0.000 0.945 337 R CB -0.938 29.367 30.300 0.008 0.000 0.845 337 R HN 0.778 nan 8.270 nan 0.000 0.430 338 G N 1.231 110.020 108.800 -0.018 0.000 2.422 338 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.218 338 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.218 338 G C 1.363 176.243 174.900 -0.034 0.000 1.146 338 G CA 0.589 45.678 45.100 -0.018 0.000 0.769 338 G HN 0.202 nan 8.290 nan 0.000 0.547 339 I N 2.276 122.820 120.570 -0.043 0.000 2.226 339 I HA -0.170 4.000 4.170 -0.000 0.000 0.245 339 I C 3.142 179.161 176.117 -0.163 0.000 1.100 339 I CA 1.828 63.089 61.300 -0.065 0.000 1.374 339 I CB -1.199 36.775 38.000 -0.044 0.000 1.057 339 I HN 0.380 nan 8.210 nan 0.000 0.413 340 S N 0.545 116.110 115.700 -0.226 0.000 2.368 340 S HA -0.173 4.297 4.470 -0.000 0.000 0.224 340 S C 1.784 176.218 174.600 -0.277 0.000 1.029 340 S CA 1.000 58.915 58.200 -0.475 0.000 0.988 340 S CB -0.559 62.447 63.200 -0.324 0.000 0.838 340 S HN 0.482 nan 8.310 nan 0.000 0.462 341 E N 0.709 120.846 120.200 -0.105 0.000 2.409 341 E HA 0.102 4.452 4.350 -0.000 0.000 0.198 341 E C 1.543 178.133 176.600 -0.018 0.000 1.024 341 E CA 0.525 56.908 56.400 -0.028 0.000 0.861 341 E CB -0.279 29.419 29.700 -0.004 0.000 0.788 341 E HN 0.543 nan 8.360 nan 0.000 0.521 342 L N -0.730 120.470 121.223 -0.038 0.000 2.599 342 L HA 0.071 4.411 4.340 -0.000 0.000 0.230 342 L C 1.464 178.338 176.870 0.007 0.000 1.141 342 L CA 0.434 55.269 54.840 -0.007 0.000 0.877 342 L CB 0.088 42.151 42.059 0.007 0.000 1.009 342 L HN 0.305 nan 8.230 nan 0.000 0.447 343 G N 0.539 109.324 108.800 -0.026 0.000 2.179 343 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.260 343 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.260 343 G C 0.327 175.299 174.900 0.120 0.000 0.977 343 G CA -0.161 44.994 45.100 0.091 0.000 0.641 343 G HN 0.296 nan 8.290 nan 0.000 0.533 344 I N 1.157 121.693 120.570 -0.057 0.000 2.421 344 I HA 0.355 4.525 4.170 -0.000 0.000 0.291 344 I C 0.053 176.008 176.117 -0.270 0.000 1.089 344 I CA -0.299 60.980 61.300 -0.034 0.000 1.354 344 I CB 0.085 38.081 38.000 -0.006 0.000 1.413 344 I HN 0.066 nan 8.210 nan 0.000 0.513 345 Y N 7.674 127.971 120.300 -0.006 0.000 2.446 345 Y HA 0.419 4.969 4.550 -0.000 0.000 0.345 345 Y C -2.094 173.676 175.900 -0.217 0.000 0.984 345 Y CA -2.819 55.239 58.100 -0.069 0.000 1.058 345 Y CB 1.498 39.909 38.460 -0.081 0.000 1.220 345 Y HN 0.403 nan 8.280 nan 0.000 0.455 346 P HA 0.093 nan 4.420 nan 0.000 0.271 346 P C -0.581 176.811 177.300 0.153 0.000 1.216 346 P CA -0.180 63.062 63.100 0.235 0.000 0.776 346 P CB 1.007 33.022 31.700 0.526 0.000 0.881 347 A N 3.996 126.881 122.820 0.108 0.000 3.051 347 A HA 0.249 4.569 4.320 -0.000 0.000 0.257 347 A C 0.449 178.058 177.584 0.042 0.000 1.785 347 A CA -0.272 51.752 52.037 -0.023 0.000 1.420 347 A CB -1.213 17.723 19.000 -0.107 0.000 1.063 347 A HN 0.369 nan 8.150 nan 0.000 0.630 348 V N 1.186 121.145 119.914 0.075 0.000 2.607 348 V HA 0.116 4.236 4.120 -0.000 0.000 0.289 348 V C 0.396 176.510 176.094 0.033 0.000 1.053 348 V CA -0.698 61.639 62.300 0.063 0.000 0.996 348 V CB 1.501 33.388 31.823 0.107 0.000 0.995 348 V HN 0.652 nan 8.190 nan 0.000 0.476 349 D N 6.642 127.058 120.400 0.025 0.000 2.365 349 D HA 0.202 4.842 4.640 -0.000 0.000 0.237 349 D C -1.435 174.872 176.300 0.010 0.000 1.190 349 D CA -1.854 52.155 54.000 0.014 0.000 0.867 349 D CB 1.980 42.786 40.800 0.010 0.000 1.050 349 D HN 0.281 nan 8.370 nan 0.000 0.491 350 P HA -0.058 nan 4.420 nan 0.000 0.230 350 P C 1.325 178.612 177.300 -0.022 0.000 1.158 350 P CA 0.561 63.651 63.100 -0.018 0.000 0.769 350 P CB 0.528 32.209 31.700 -0.031 0.000 0.807 351 L N -1.027 120.188 121.223 -0.013 0.000 2.470 351 L HA 0.198 4.538 4.340 -0.000 0.000 0.219 351 L C 1.797 178.653 176.870 -0.023 0.000 1.071 351 L CA 0.660 55.488 54.840 -0.020 0.000 0.850 351 L CB -0.373 41.677 42.059 -0.015 0.000 1.040 351 L HN -0.147 nan 8.230 nan 0.000 0.475 352 D N -0.280 120.110 120.400 -0.017 0.000 2.368 352 D HA 0.078 4.718 4.640 -0.000 0.000 0.218 352 D C -0.092 176.208 176.300 0.001 0.000 1.112 352 D CA 0.185 54.170 54.000 -0.026 0.000 0.834 352 D CB 0.472 41.255 40.800 -0.028 0.000 0.953 352 D HN -0.030 nan 8.370 nan 0.000 0.505 353 S N 0.335 116.045 115.700 0.017 0.000 2.482 353 S HA 0.557 5.027 4.470 -0.000 0.000 0.303 353 S C -0.460 174.171 174.600 0.051 0.000 1.091 353 S CA -0.840 57.391 58.200 0.051 0.000 1.057 353 S CB 2.047 65.285 63.200 0.063 0.000 1.031 353 S HN -0.050 nan 8.310 nan 0.000 0.485 354 K N 1.270 121.717 120.400 0.080 0.000 2.426 354 K HA 0.709 5.029 4.320 -0.000 0.000 0.251 354 K C -0.797 175.863 176.600 0.100 0.000 0.941 354 K CA -0.704 55.625 56.287 0.071 0.000 0.808 354 K CB 2.056 34.589 32.500 0.054 0.000 1.265 354 K HN 0.552 nan 8.250 nan 0.000 0.432 355 S N 0.291 116.041 115.700 0.084 0.000 2.546 355 S HA 0.308 4.778 4.470 -0.000 0.000 0.274 355 S C 0.337 174.975 174.600 0.063 0.000 1.121 355 S CA -0.789 57.466 58.200 0.091 0.000 0.887 355 S CB 1.161 64.427 63.200 0.109 0.000 1.094 355 S HN 0.654 nan 8.310 nan 0.000 0.474 356 R N 3.134 123.667 120.500 0.055 0.000 2.307 356 R HA 0.227 4.567 4.340 -0.000 0.000 0.199 356 R C 0.990 177.306 176.300 0.028 0.000 1.000 356 R CA 0.700 56.823 56.100 0.038 0.000 1.023 356 R CB -0.550 29.768 30.300 0.030 0.000 0.908 356 R HN 0.584 nan 8.270 nan 0.000 0.473 357 L N 0.375 121.618 121.223 0.032 0.000 2.341 357 L HA 0.074 4.414 4.340 -0.000 0.000 0.214 357 L C 1.035 177.903 176.870 -0.003 0.000 1.115 357 L CA -0.079 54.768 54.840 0.011 0.000 0.820 357 L CB -0.102 41.967 42.059 0.017 0.000 0.944 357 L HN 0.144 nan 8.230 nan 0.000 0.452 358 L N 1.457 122.694 121.223 0.024 0.000 2.869 358 L HA 0.083 4.423 4.340 -0.000 0.000 0.240 358 L C -0.225 176.751 176.870 0.175 0.000 1.448 358 L CA 0.543 55.417 54.840 0.057 0.000 1.158 358 L CB -1.195 40.899 42.059 0.060 0.000 1.497 358 L HN 0.047 nan 8.230 nan 0.000 0.447 359 D N -0.210 120.207 120.400 0.029 0.000 2.350 359 D HA 0.438 5.077 4.640 -0.000 0.000 0.245 359 D C 0.987 177.155 176.300 -0.220 0.000 1.036 359 D CA 0.127 54.043 54.000 -0.139 0.000 0.848 359 D CB 2.136 42.872 40.800 -0.107 0.000 1.307 359 D HN 0.147 nan 8.370 nan 0.000 0.469 360 A N 3.277 125.804 122.820 -0.487 0.000 1.917 360 A HA -0.095 4.224 4.320 -0.000 0.000 0.219 360 A C 2.042 179.541 177.584 -0.141 0.000 1.182 360 A CA 2.319 54.183 52.037 -0.288 0.000 0.633 360 A CB -0.998 17.796 19.000 -0.344 0.000 0.819 360 A HN 0.701 nan 8.150 nan 0.000 0.448 361 A N -1.211 121.525 122.820 -0.141 0.000 2.131 361 A HA 0.080 4.400 4.320 -0.000 0.000 0.220 361 A C 2.041 179.591 177.584 -0.057 0.000 1.158 361 A CA 1.966 53.954 52.037 -0.082 0.000 0.665 361 A CB -0.424 18.530 19.000 -0.077 0.000 0.795 361 A HN 0.430 nan 8.150 nan 0.000 0.460 362 V N -1.135 118.741 119.914 -0.063 0.000 2.743 362 V HA -0.054 4.066 4.120 -0.000 0.000 0.237 362 V C 2.202 178.270 176.094 -0.044 0.000 1.113 362 V CA 1.310 63.584 62.300 -0.045 0.000 1.141 362 V CB 0.293 32.091 31.823 -0.043 0.000 0.873 362 V HN 0.463 nan 8.190 nan 0.000 0.486 363 V N -1.136 118.732 119.914 -0.076 0.000 3.649 363 V HA 0.671 4.791 4.120 -0.000 0.000 0.275 363 V C 0.894 176.997 176.094 0.015 0.000 1.281 363 V CA 0.203 62.444 62.300 -0.099 0.000 1.143 363 V CB -0.940 30.619 31.823 -0.440 0.000 0.892 363 V HN 0.812 nan 8.190 nan 0.000 0.441 364 G N 0.606 109.415 108.800 0.015 0.000 2.733 364 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.686 364 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.686 364 G C -0.055 174.900 174.900 0.092 0.000 1.373 364 G CA 0.332 45.462 45.100 0.050 0.000 0.838 364 G HN 0.491 nan 8.290 nan 0.000 0.588 365 Q N 0.064 119.911 119.800 0.078 0.000 2.050 365 Q HA -0.058 4.282 4.340 -0.000 0.000 0.202 365 Q C 2.447 178.545 176.000 0.163 0.000 0.980 365 Q CA 2.758 58.625 55.803 0.108 0.000 0.840 365 Q CB -0.372 28.406 28.738 0.067 0.000 0.898 365 Q HN 0.843 nan 8.270 nan 0.000 0.424 366 E N -0.992 119.288 120.200 0.133 0.000 2.048 366 E HA -0.330 4.020 4.350 -0.000 0.000 0.202 366 E C 1.971 178.673 176.600 0.171 0.000 1.021 366 E CA 1.553 58.029 56.400 0.127 0.000 0.825 366 E CB -0.394 29.364 29.700 0.098 0.000 0.756 366 E HN 0.556 nan 8.360 nan 0.000 0.454 367 H N -0.255 118.862 119.070 0.078 0.000 2.251 367 H HA -0.235 4.321 4.556 -0.000 0.000 0.294 367 H C 2.022 177.395 175.328 0.074 0.000 1.078 367 H CA 2.209 58.296 56.048 0.065 0.000 1.246 367 H CB -1.070 28.730 29.762 0.064 0.000 1.358 367 H HN 0.379 nan 8.280 nan 0.000 0.488 368 Y N 1.622 122.035 120.300 0.189 0.000 2.132 368 Y HA -0.281 4.269 4.550 -0.000 0.000 0.280 368 Y C 2.053 178.004 175.900 0.085 0.000 1.193 368 Y CA 2.448 60.594 58.100 0.076 0.000 1.157 368 Y CB -0.447 38.017 38.460 0.008 0.000 0.966 368 Y HN 0.286 nan 8.280 nan 0.000 0.511 369 D N -1.118 119.355 120.400 0.122 0.000 2.224 369 D HA -0.127 4.513 4.640 -0.000 0.000 0.205 369 D C 2.273 178.564 176.300 -0.015 0.000 0.965 369 D CA 1.304 55.322 54.000 0.030 0.000 0.852 369 D CB -0.140 40.717 40.800 0.095 0.000 0.947 369 D HN 0.303 nan 8.370 nan 0.000 0.494 370 V N 0.796 120.721 119.914 0.018 0.000 2.379 370 V HA -0.146 3.974 4.120 -0.000 0.000 0.245 370 V C 2.446 178.502 176.094 -0.062 0.000 1.044 370 V CA 1.550 63.845 62.300 -0.007 0.000 1.036 370 V CB -0.779 31.035 31.823 -0.015 0.000 0.664 370 V HN 0.174 nan 8.190 nan 0.000 0.453 371 A N 0.159 122.940 122.820 -0.066 0.000 1.883 371 A HA -0.229 4.091 4.320 -0.000 0.000 0.217 371 A C 2.503 179.991 177.584 -0.160 0.000 1.186 371 A CA 2.460 54.427 52.037 -0.115 0.000 0.624 371 A CB -0.835 18.122 19.000 -0.071 0.000 0.822 371 A HN 0.506 nan 8.150 nan 0.000 0.444 372 S N -0.593 114.973 115.700 -0.224 0.000 2.359 372 S HA -0.169 4.301 4.470 -0.000 0.000 0.224 372 S C 1.997 176.531 174.600 -0.109 0.000 1.035 372 S CA 1.704 59.779 58.200 -0.208 0.000 1.018 372 S CB -0.255 62.775 63.200 -0.283 0.000 0.876 372 S HN 0.630 nan 8.310 nan 0.000 0.448 373 K N 0.751 121.105 120.400 -0.077 0.000 2.288 373 K HA 0.026 4.345 4.320 -0.000 0.000 0.201 373 K C 1.839 178.424 176.600 -0.025 0.000 1.048 373 K CA 0.497 56.764 56.287 -0.033 0.000 0.956 373 K CB -0.069 32.427 32.500 -0.006 0.000 0.746 373 K HN 0.136 nan 8.250 nan 0.000 0.461 374 V N 1.504 121.389 119.914 -0.048 0.000 2.307 374 V HA -0.249 3.871 4.120 -0.000 0.000 0.245 374 V C 2.154 178.218 176.094 -0.050 0.000 1.045 374 V CA 1.666 63.935 62.300 -0.052 0.000 1.024 374 V CB -0.299 31.441 31.823 -0.138 0.000 0.651 374 V HN 0.409 nan 8.190 nan 0.000 0.449 375 Q N -0.524 119.237 119.800 -0.065 0.000 2.172 375 Q HA -0.187 4.153 4.340 -0.000 0.000 0.200 375 Q C 2.160 178.145 176.000 -0.024 0.000 0.964 375 Q CA 1.325 57.098 55.803 -0.050 0.000 0.855 375 Q CB -0.160 28.538 28.738 -0.067 0.000 0.918 375 Q HN 0.701 nan 8.270 nan 0.000 0.444 376 E N 0.436 120.622 120.200 -0.024 0.000 2.106 376 E HA -0.125 4.225 4.350 -0.000 0.000 0.192 376 E C 1.997 178.606 176.600 0.014 0.000 0.984 376 E CA 1.500 57.896 56.400 -0.006 0.000 0.806 376 E CB -0.010 29.684 29.700 -0.009 0.000 0.750 376 E HN 0.336 nan 8.360 nan 0.000 0.458 377 T N 1.829 116.391 114.554 0.012 0.000 2.708 377 T HA -0.138 4.212 4.350 -0.000 0.000 0.266 377 T C 2.023 176.759 174.700 0.060 0.000 1.037 377 T CA 1.015 63.131 62.100 0.026 0.000 1.146 377 T CB -0.238 68.634 68.868 0.006 0.000 0.865 377 T HN 0.087 nan 8.240 nan 0.000 0.435 378 L N 0.576 121.829 121.223 0.050 0.000 2.240 378 L HA 0.017 4.357 4.340 -0.000 0.000 0.211 378 L C 2.805 179.751 176.870 0.126 0.000 1.106 378 L CA 0.721 55.624 54.840 0.104 0.000 0.793 378 L CB -0.485 41.606 42.059 0.054 0.000 0.927 378 L HN 0.147 nan 8.230 nan 0.000 0.446 379 Q N 0.264 120.102 119.800 0.063 0.000 2.049 379 Q HA -0.129 4.211 4.340 -0.000 0.000 0.198 379 Q C 2.144 178.169 176.000 0.042 0.000 0.971 379 Q CA 2.248 58.074 55.803 0.038 0.000 0.833 379 Q CB -0.447 28.298 28.738 0.011 0.000 0.896 379 Q HN 0.352 nan 8.270 nan 0.000 0.434 380 T N 0.183 114.770 114.554 0.055 0.000 2.665 380 T HA -0.210 4.140 4.350 -0.000 0.000 0.268 380 T C 1.354 176.105 174.700 0.084 0.000 1.035 380 T CA 1.638 63.772 62.100 0.056 0.000 1.151 380 T CB -0.693 68.210 68.868 0.059 0.000 0.862 380 T HN 0.406 nan 8.240 nan 0.000 0.438 381 Y N 2.022 122.317 120.300 -0.008 0.000 2.128 381 Y HA -0.128 4.422 4.550 -0.000 0.000 0.284 381 Y C 2.512 178.407 175.900 -0.008 0.000 1.154 381 Y CA 1.605 59.701 58.100 -0.007 0.000 1.149 381 Y CB -0.307 38.149 38.460 -0.006 0.000 0.976 381 Y HN 0.052 nan 8.280 nan 0.000 0.505 382 K N -0.819 119.555 120.400 -0.042 0.000 2.097 382 K HA -0.138 4.182 4.320 -0.000 0.000 0.206 382 K C 2.180 178.702 176.600 -0.131 0.000 1.049 382 K CA 1.643 57.856 56.287 -0.123 0.000 0.933 382 K CB -0.194 32.292 32.500 -0.023 0.000 0.717 382 K HN 0.263 nan 8.250 nan 0.000 0.442 383 S N 0.643 116.295 115.700 -0.081 0.000 2.406 383 S HA 0.067 4.537 4.470 -0.000 0.000 0.224 383 S C 1.461 176.014 174.600 -0.078 0.000 1.030 383 S CA 0.511 58.672 58.200 -0.066 0.000 0.958 383 S CB 0.043 63.222 63.200 -0.035 0.000 0.811 383 S HN 0.244 nan 8.310 nan 0.000 0.489 384 L N 1.446 122.617 121.223 -0.086 0.000 2.610 384 L HA 0.109 4.449 4.340 -0.000 0.000 0.232 384 L C 1.608 178.395 176.870 -0.138 0.000 1.149 384 L CA 0.517 55.307 54.840 -0.084 0.000 0.872 384 L CB -0.307 41.723 42.059 -0.048 0.000 0.992 384 L HN 0.244 nan 8.230 nan 0.000 0.447 385 Q N -0.403 119.277 119.800 -0.200 0.000 2.225 385 Q HA -0.035 4.305 4.340 -0.000 0.000 0.222 385 Q C 0.081 175.995 176.000 -0.143 0.000 0.887 385 Q CA 0.196 55.852 55.803 -0.244 0.000 0.958 385 Q CB 0.269 28.768 28.738 -0.399 0.000 1.058 385 Q HN 0.345 nan 8.270 nan 0.000 0.459 386 D N -1.381 118.960 120.400 -0.098 0.000 2.525 386 D HA 0.116 4.756 4.640 -0.000 0.000 0.231 386 D C 0.759 177.028 176.300 -0.051 0.000 1.216 386 D CA 0.099 54.059 54.000 -0.067 0.000 0.813 386 D CB 0.636 41.403 40.800 -0.054 0.000 1.108 386 D HN 0.101 nan 8.370 nan 0.000 0.524 387 I N 0.286 120.823 120.570 -0.054 0.000 3.030 387 I HA 0.108 4.278 4.170 -0.000 0.000 0.270 387 I C 1.658 177.754 176.117 -0.035 0.000 1.211 387 I CA 0.722 62.000 61.300 -0.038 0.000 1.479 387 I CB 0.254 38.235 38.000 -0.032 0.000 1.105 387 I HN 0.080 nan 8.210 nan 0.000 0.447 388 I N -0.168 120.371 120.570 -0.051 0.000 3.462 388 I HA 0.055 4.225 4.170 -0.000 0.000 0.290 388 I C 2.226 178.323 176.117 -0.034 0.000 1.236 388 I CA 0.410 61.686 61.300 -0.039 0.000 1.418 388 I CB -0.025 37.945 38.000 -0.050 0.000 1.102 388 I HN 0.084 nan 8.210 nan 0.000 0.441 389 A N -0.204 122.589 122.820 -0.045 0.000 2.251 389 A HA 0.183 4.503 4.320 -0.000 0.000 0.209 389 A C 1.735 179.305 177.584 -0.023 0.000 1.187 389 A CA 1.012 53.028 52.037 -0.034 0.000 0.823 389 A CB -0.130 18.843 19.000 -0.044 0.000 0.846 389 A HN 0.391 nan 8.150 nan 0.000 0.486 390 I N -2.168 118.389 120.570 -0.022 0.000 4.765 390 I HA 0.204 4.374 4.170 -0.000 0.000 0.349 390 I C 1.187 177.298 176.117 -0.011 0.000 1.278 390 I CA 0.440 61.731 61.300 -0.015 0.000 1.331 390 I CB 0.585 38.576 38.000 -0.016 0.000 1.570 390 I HN 0.214 nan 8.210 nan 0.000 0.538 391 L N -0.914 120.302 121.223 -0.012 0.000 2.666 391 L HA 0.686 5.026 4.340 -0.000 0.000 0.184 391 L C 0.958 177.826 176.870 -0.003 0.000 1.092 391 L CA 0.315 55.150 54.840 -0.007 0.000 0.857 391 L CB -0.424 41.631 42.059 -0.007 0.000 1.281 391 L HN 0.131 nan 8.230 nan 0.000 0.489 392 G N -0.120 108.678 108.800 -0.003 0.000 2.541 392 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.686 392 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.686 392 G C 0.207 175.113 174.900 0.011 0.000 1.286 392 G CA -0.190 44.913 45.100 0.005 0.000 0.894 392 G HN -0.049 nan 8.290 nan 0.000 0.575 393 M N -0.240 119.372 119.600 0.020 0.000 2.116 393 M HA -0.162 4.318 4.480 -0.000 0.000 0.255 393 M C 1.835 178.147 176.300 0.020 0.000 1.075 393 M CA 2.710 58.026 55.300 0.027 0.000 1.087 393 M CB -1.317 31.303 32.600 0.033 0.000 1.340 393 M HN 0.729 nan 8.290 nan 0.000 0.402 394 D N 0.533 120.942 120.400 0.015 0.000 2.170 394 D HA -0.184 4.455 4.640 -0.000 0.000 0.193 394 D C 1.869 178.175 176.300 0.010 0.000 1.004 394 D CA 1.410 55.417 54.000 0.012 0.000 0.860 394 D CB 0.109 40.915 40.800 0.009 0.000 0.931 394 D HN 0.341 nan 8.370 nan 0.000 0.448 395 E N -0.382 119.823 120.200 0.009 0.000 2.358 395 E HA -0.035 4.315 4.350 -0.000 0.000 0.195 395 E C 0.510 177.115 176.600 0.008 0.000 1.010 395 E CA 0.027 56.431 56.400 0.006 0.000 0.856 395 E CB 0.085 29.787 29.700 0.003 0.000 0.795 395 E HN 0.303 nan 8.360 nan 0.000 0.504 396 L N 1.011 122.242 121.223 0.012 0.000 2.473 396 L HA 0.080 4.420 4.340 -0.000 0.000 0.268 396 L C 1.000 177.878 176.870 0.014 0.000 1.215 396 L CA 0.305 55.154 54.840 0.015 0.000 0.823 396 L CB 0.539 42.612 42.059 0.024 0.000 1.099 396 L HN -0.095 nan 8.230 nan 0.000 0.483 397 S N 0.446 116.154 115.700 0.014 0.000 2.632 397 S HA 0.107 4.577 4.470 -0.000 0.000 0.267 397 S C 0.936 175.545 174.600 0.015 0.000 1.276 397 S CA -0.530 57.678 58.200 0.013 0.000 0.998 397 S CB 0.573 63.780 63.200 0.011 0.000 0.953 397 S HN 0.500 nan 8.310 nan 0.000 0.547 398 E N 1.063 121.271 120.200 0.013 0.000 2.505 398 E HA -0.046 4.304 4.350 -0.000 0.000 0.197 398 E C 0.884 177.493 176.600 0.015 0.000 1.111 398 E CA 0.363 56.771 56.400 0.014 0.000 0.887 398 E CB 0.090 29.796 29.700 0.011 0.000 0.913 398 E HN 0.560 nan 8.360 nan 0.000 0.517 399 Q N -0.399 119.411 119.800 0.016 0.000 2.280 399 Q HA 0.002 4.342 4.340 -0.000 0.000 0.228 399 Q C 0.154 176.167 176.000 0.023 0.000 0.857 399 Q CA 0.278 56.091 55.803 0.017 0.000 0.939 399 Q CB 0.636 29.384 28.738 0.015 0.000 1.114 399 Q HN 0.080 nan 8.270 nan 0.000 0.514 400 D N -0.923 119.493 120.400 0.026 0.000 2.479 400 D HA 0.057 4.697 4.640 -0.000 0.000 0.216 400 D C 1.153 177.480 176.300 0.045 0.000 1.110 400 D CA 0.000 54.021 54.000 0.035 0.000 0.841 400 D CB 0.577 41.395 40.800 0.030 0.000 1.040 400 D HN -0.039 nan 8.370 nan 0.000 0.505 401 K N 0.381 120.803 120.400 0.037 0.000 2.076 401 K HA 0.026 4.346 4.320 -0.000 0.000 0.204 401 K C 1.890 178.512 176.600 0.036 0.000 1.051 401 K CA 0.335 56.647 56.287 0.042 0.000 0.949 401 K CB 0.024 32.544 32.500 0.032 0.000 0.726 401 K HN 0.074 nan 8.250 nan 0.000 0.443 402 L N 1.442 122.681 121.223 0.027 0.000 1.989 402 L HA -0.202 4.138 4.340 -0.000 0.000 0.211 402 L C 2.095 178.973 176.870 0.014 0.000 1.071 402 L CA 1.952 56.803 54.840 0.019 0.000 0.749 402 L CB -0.769 41.301 42.059 0.017 0.000 0.890 402 L HN 0.079 nan 8.230 nan 0.000 0.431 403 T N -1.121 113.446 114.554 0.022 0.000 2.746 403 T HA -0.167 4.183 4.350 -0.000 0.000 0.267 403 T C 1.923 176.630 174.700 0.013 0.000 1.039 403 T CA 1.616 63.728 62.100 0.020 0.000 1.142 403 T CB -0.344 68.545 68.868 0.036 0.000 0.866 403 T HN 0.214 nan 8.240 nan 0.000 0.444 404 V N 1.186 121.132 119.914 0.054 0.000 2.307 404 V HA -0.142 3.978 4.120 -0.000 0.000 0.245 404 V C 2.488 178.548 176.094 -0.056 0.000 1.045 404 V CA 1.657 64.014 62.300 0.096 0.000 1.024 404 V CB -0.500 31.459 31.823 0.227 0.000 0.651 404 V HN 0.518 nan 8.190 nan 0.000 0.449 405 E N -0.342 119.847 120.200 -0.019 0.000 2.058 405 E HA -0.234 4.116 4.350 -0.000 0.000 0.194 405 E C 2.520 179.056 176.600 -0.106 0.000 0.997 405 E CA 1.251 57.624 56.400 -0.045 0.000 0.801 405 E CB -0.196 29.502 29.700 -0.003 0.000 0.746 405 E HN 0.423 nan 8.360 nan 0.000 0.450 406 R N 0.119 120.565 120.500 -0.089 0.000 2.103 406 R HA -0.172 4.168 4.340 -0.000 0.000 0.242 406 R C 2.338 178.525 176.300 -0.189 0.000 1.142 406 R CA 1.209 57.239 56.100 -0.116 0.000 0.960 406 R CB -0.357 29.910 30.300 -0.055 0.000 0.858 406 R HN 0.143 nan 8.270 nan 0.000 0.439 407 A N 1.166 123.847 122.820 -0.233 0.000 1.877 407 A HA -0.177 4.143 4.320 -0.000 0.000 0.216 407 A C 2.124 179.440 177.584 -0.447 0.000 1.186 407 A CA 1.235 53.073 52.037 -0.333 0.000 0.620 407 A CB -0.407 18.330 19.000 -0.438 0.000 0.822 407 A HN 0.262 nan 8.150 nan 0.000 0.443 408 R N -0.136 120.028 120.500 -0.560 0.000 2.117 408 R HA -0.170 4.169 4.340 -0.000 0.000 0.243 408 R C 2.141 178.299 176.300 -0.237 0.000 1.143 408 R CA 1.864 57.733 56.100 -0.384 0.000 0.968 408 R CB -0.300 29.850 30.300 -0.251 0.000 0.863 408 R HN 0.546 nan 8.270 nan 0.000 0.444 409 K N 0.263 120.483 120.400 -0.301 0.000 2.062 409 K HA -0.038 4.282 4.320 -0.000 0.000 0.205 409 K C 2.039 178.323 176.600 -0.526 0.000 1.051 409 K CA 1.084 57.045 56.287 -0.544 0.000 0.941 409 K CB -0.046 31.997 32.500 -0.762 0.000 0.719 409 K HN 0.129 nan 8.250 nan 0.000 0.440 410 I N 1.357 121.769 120.570 -0.264 0.000 2.315 410 I HA -0.275 3.895 4.170 -0.000 0.000 0.248 410 I C 2.573 178.762 176.117 0.120 0.000 1.117 410 I CA 1.157 62.486 61.300 0.049 0.000 1.404 410 I CB -0.222 37.836 38.000 0.096 0.000 1.071 410 I HN 0.235 nan 8.210 nan 0.000 0.419 411 Q N 0.721 120.511 119.800 -0.017 0.000 1.956 411 Q HA -0.260 4.080 4.340 -0.000 0.000 0.208 411 Q C 2.370 178.415 176.000 0.075 0.000 0.998 411 Q CA 1.964 57.774 55.803 0.012 0.000 0.855 411 Q CB -0.149 28.567 28.738 -0.036 0.000 0.928 411 Q HN 0.401 nan 8.270 nan 0.000 0.418 412 R N -0.633 119.910 120.500 0.072 0.000 2.235 412 R HA -0.080 4.260 4.340 -0.000 0.000 0.213 412 R C 1.802 178.244 176.300 0.236 0.000 1.059 412 R CA 0.501 56.693 56.100 0.153 0.000 0.997 412 R CB -0.091 30.311 30.300 0.171 0.000 0.884 412 R HN 0.191 nan 8.270 nan 0.000 0.462 413 F N 0.460 120.420 119.950 0.016 0.000 2.558 413 F HA 0.084 4.611 4.527 -0.000 0.000 0.298 413 F C 1.232 177.161 175.800 0.216 0.000 1.119 413 F CA 0.630 58.666 58.000 0.060 0.000 1.451 413 F CB 0.072 38.945 39.000 -0.211 0.000 1.091 413 F HN -0.067 nan 8.300 nan 0.000 0.563 414 L N -0.297 121.070 121.223 0.239 0.000 2.418 414 L HA 0.001 4.341 4.340 -0.000 0.000 0.218 414 L C 1.298 178.183 176.870 0.025 0.000 1.125 414 L CA 0.323 55.221 54.840 0.096 0.000 0.835 414 L CB -0.646 41.434 42.059 0.035 0.000 0.953 414 L HN 0.063 nan 8.230 nan 0.000 0.454 415 S N -0.029 115.688 115.700 0.027 0.000 2.576 415 S HA 0.274 4.744 4.470 -0.000 0.000 0.276 415 S C -0.320 174.212 174.600 -0.114 0.000 1.339 415 S CA -0.497 57.665 58.200 -0.063 0.000 1.039 415 S CB 1.591 64.736 63.200 -0.091 0.000 0.902 415 S HN 0.290 nan 8.310 nan 0.000 0.516 416 Q N 1.698 121.369 119.800 -0.215 0.000 2.281 416 Q HA 0.393 4.733 4.340 -0.000 0.000 0.263 416 Q C -3.061 172.734 176.000 -0.341 0.000 0.989 416 Q CA -2.091 53.589 55.803 -0.205 0.000 0.852 416 Q CB 2.244 30.918 28.738 -0.107 0.000 1.337 416 Q HN 0.515 nan 8.270 nan 0.000 0.418 417 P HA 0.137 nan 4.420 nan 0.000 0.276 417 P C -0.975 176.343 177.300 0.030 0.000 1.253 417 P CA 0.034 63.055 63.100 -0.131 0.000 0.766 417 P CB 0.193 31.858 31.700 -0.059 0.000 0.845 418 F N 1.811 121.755 119.950 -0.010 0.000 2.371 418 F HA 0.360 4.887 4.527 -0.000 0.000 0.329 418 F C 1.886 177.680 175.800 -0.011 0.000 1.107 418 F CA -1.179 56.806 58.000 -0.025 0.000 1.137 418 F CB 0.008 38.987 39.000 -0.034 0.000 1.214 418 F HN 0.373 nan 8.300 nan 0.000 0.536 419 A N 1.951 124.875 122.820 0.173 0.000 1.865 419 A HA -0.119 4.200 4.320 -0.000 0.000 0.217 419 A C 2.032 179.657 177.584 0.067 0.000 1.191 419 A CA 2.184 54.264 52.037 0.072 0.000 0.623 419 A CB -1.166 17.843 19.000 0.015 0.000 0.826 419 A HN 0.555 nan 8.150 nan 0.000 0.444 420 V N -0.462 119.495 119.914 0.071 0.000 2.867 420 V HA -0.130 3.990 4.120 -0.000 0.000 0.260 420 V C 2.581 178.764 176.094 0.149 0.000 1.099 420 V CA 1.550 63.895 62.300 0.075 0.000 1.122 420 V CB -1.403 30.459 31.823 0.066 0.000 0.708 420 V HN 0.588 nan 8.190 nan 0.000 0.490 421 A N -0.698 122.262 122.820 0.233 0.000 2.208 421 A HA -0.017 4.303 4.320 -0.000 0.000 0.209 421 A C 2.169 179.849 177.584 0.159 0.000 1.161 421 A CA 0.639 52.873 52.037 0.327 0.000 0.782 421 A CB -0.336 18.831 19.000 0.279 0.000 0.816 421 A HN 0.502 nan 8.150 nan 0.000 0.477 422 E N 0.554 120.781 120.200 0.045 0.000 2.086 422 E HA -0.226 4.124 4.350 -0.000 0.000 0.200 422 E C 1.991 178.534 176.600 -0.095 0.000 1.012 422 E CA 2.307 58.699 56.400 -0.014 0.000 0.812 422 E CB -0.245 29.440 29.700 -0.026 0.000 0.743 422 E HN 0.607 nan 8.360 nan 0.000 0.453 423 V N -1.678 118.080 119.914 -0.259 0.000 2.720 423 V HA -0.193 3.927 4.120 -0.000 0.000 0.256 423 V C 1.814 177.648 176.094 -0.434 0.000 1.082 423 V CA 1.557 63.611 62.300 -0.409 0.000 1.101 423 V CB -0.894 30.569 31.823 -0.599 0.000 0.693 423 V HN 0.118 nan 8.190 nan 0.000 0.479 424 F N 1.572 121.510 119.950 -0.021 0.000 2.656 424 F HA 0.184 4.711 4.527 -0.000 0.000 0.291 424 F C 2.404 178.193 175.800 -0.020 0.000 1.122 424 F CA 0.986 58.963 58.000 -0.039 0.000 1.427 424 F CB -0.673 38.264 39.000 -0.104 0.000 1.125 424 F HN 0.289 nan 8.300 nan 0.000 0.583 425 T N -3.713 110.925 114.554 0.139 0.000 3.082 425 T HA 0.525 4.875 4.350 -0.000 0.000 0.235 425 T C 2.031 176.775 174.700 0.074 0.000 0.991 425 T CA 0.784 62.948 62.100 0.107 0.000 1.220 425 T CB -0.213 68.702 68.868 0.078 0.000 0.909 425 T HN 0.279 nan 8.240 nan 0.000 0.424 426 G N 1.690 110.513 108.800 0.039 0.000 2.308 426 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.221 426 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.221 426 G C -0.034 174.883 174.900 0.027 0.000 1.032 426 G CA -0.186 44.929 45.100 0.026 0.000 0.623 426 G HN 0.655 nan 8.290 nan 0.000 0.506 427 I N 4.114 124.707 120.570 0.038 0.000 2.452 427 I HA 0.422 4.592 4.170 -0.000 0.000 0.287 427 I C -1.401 174.729 176.117 0.021 0.000 1.079 427 I CA -1.885 59.432 61.300 0.028 0.000 1.387 427 I CB 0.705 38.720 38.000 0.026 0.000 1.404 427 I HN -0.023 nan 8.210 nan 0.000 0.522 428 P HA 0.161 nan 4.420 nan 0.000 0.275 428 P C 0.147 177.464 177.300 0.030 0.000 1.270 428 P CA -0.527 62.584 63.100 0.019 0.000 0.791 428 P CB 0.376 32.083 31.700 0.012 0.000 1.089 429 G N 0.834 109.656 108.800 0.037 0.000 2.343 429 G HA2 0.237 4.197 3.960 -0.000 0.000 0.254 429 G HA3 0.237 4.197 3.960 -0.000 0.000 0.254 429 G C -0.364 174.566 174.900 0.050 0.000 1.277 429 G CA -0.235 44.900 45.100 0.059 0.000 0.909 429 G HN 0.195 nan 8.290 nan 0.000 0.502 430 K N 1.630 122.072 120.400 0.069 0.000 2.267 430 K HA 0.527 4.847 4.320 -0.000 0.000 0.246 430 K C -1.017 175.623 176.600 0.067 0.000 0.954 430 K CA -0.827 55.491 56.287 0.053 0.000 0.824 430 K CB 2.893 35.415 32.500 0.037 0.000 1.167 430 K HN 0.389 nan 8.250 nan 0.000 0.431 431 L N 2.054 123.302 121.223 0.042 0.000 2.518 431 L HA 0.273 4.613 4.340 -0.000 0.000 0.262 431 L C -1.317 175.567 176.870 0.025 0.000 0.982 431 L CA -0.814 54.046 54.840 0.033 0.000 0.873 431 L CB 1.572 43.641 42.059 0.017 0.000 1.198 431 L HN 0.230 nan 8.230 nan 0.000 0.427 432 V N 3.645 123.574 119.914 0.024 0.000 2.406 432 V HA 0.494 4.614 4.120 -0.000 0.000 0.272 432 V C 0.953 177.053 176.094 0.010 0.000 1.043 432 V CA -0.378 61.931 62.300 0.016 0.000 0.915 432 V CB 0.926 32.753 31.823 0.007 0.000 0.988 432 V HN 0.845 nan 8.190 nan 0.000 0.466 433 R N 3.176 123.683 120.500 0.012 0.000 2.623 433 R HA 0.284 4.624 4.340 -0.000 0.000 0.271 433 R C 0.985 177.290 176.300 0.008 0.000 1.043 433 R CA 0.324 56.431 56.100 0.012 0.000 1.083 433 R CB -0.319 29.990 30.300 0.015 0.000 0.974 433 R HN 0.810 nan 8.270 nan 0.000 0.436 434 L N 1.852 123.080 121.223 0.009 0.000 1.963 434 L HA -0.253 4.087 4.340 -0.000 0.000 0.220 434 L C 2.340 179.204 176.870 -0.009 0.000 1.076 434 L CA 2.521 57.364 54.840 0.005 0.000 0.772 434 L CB -0.304 41.774 42.059 0.032 0.000 0.892 434 L HN 0.841 nan 8.230 nan 0.000 0.435 435 K N -0.855 119.550 120.400 0.008 0.000 2.152 435 K HA -0.210 4.110 4.320 -0.000 0.000 0.206 435 K C 1.909 178.516 176.600 0.012 0.000 1.048 435 K CA 1.423 57.715 56.287 0.008 0.000 0.933 435 K CB -0.687 31.826 32.500 0.023 0.000 0.721 435 K HN 0.477 nan 8.250 nan 0.000 0.447 436 D N 1.149 121.560 120.400 0.018 0.000 2.087 436 D HA -0.117 4.523 4.640 -0.000 0.000 0.192 436 D C 1.766 178.093 176.300 0.045 0.000 0.993 436 D CA 1.691 55.710 54.000 0.032 0.000 0.828 436 D CB -0.132 40.685 40.800 0.028 0.000 0.968 436 D HN 0.160 nan 8.370 nan 0.000 0.448 437 T N 0.422 114.994 114.554 0.029 0.000 2.759 437 T HA -0.114 4.236 4.350 -0.000 0.000 0.269 437 T C 2.216 176.972 174.700 0.092 0.000 1.042 437 T CA 1.042 63.185 62.100 0.073 0.000 1.140 437 T CB -0.405 68.459 68.868 -0.007 0.000 0.864 437 T HN -0.022 nan 8.240 nan 0.000 0.455 438 V N 1.888 121.778 119.914 -0.040 0.000 2.233 438 V HA -0.199 3.921 4.120 -0.000 0.000 0.247 438 V C 2.959 179.078 176.094 0.042 0.000 1.050 438 V CA 1.910 64.160 62.300 -0.082 0.000 1.010 438 V CB -1.299 30.442 31.823 -0.137 0.000 0.637 438 V HN 0.559 nan 8.190 nan 0.000 0.444 439 A N -0.755 122.098 122.820 0.054 0.000 1.969 439 A HA -0.170 4.150 4.320 -0.000 0.000 0.218 439 A C 2.460 180.116 177.584 0.119 0.000 1.169 439 A CA 2.018 54.104 52.037 0.082 0.000 0.635 439 A CB -0.614 18.425 19.000 0.066 0.000 0.810 439 A HN 0.498 nan 8.150 nan 0.000 0.445 440 S N -0.948 114.829 115.700 0.129 0.000 2.356 440 S HA -0.086 4.384 4.470 -0.000 0.000 0.223 440 S C 1.578 176.274 174.600 0.160 0.000 1.032 440 S CA 1.525 59.808 58.200 0.139 0.000 1.005 440 S CB -0.454 62.840 63.200 0.156 0.000 0.867 440 S HN 0.578 nan 8.310 nan 0.000 0.449 441 F N 1.471 121.505 119.950 0.140 0.000 2.270 441 F HA 0.148 4.675 4.527 -0.000 0.000 0.295 441 F C 2.258 178.116 175.800 0.098 0.000 1.087 441 F CA 0.731 58.812 58.000 0.134 0.000 1.365 441 F CB -0.210 38.796 39.000 0.010 0.000 1.056 441 F HN 0.045 nan 8.300 nan 0.000 0.506 442 K N 0.702 121.242 120.400 0.234 0.000 2.113 442 K HA -0.223 4.097 4.320 -0.000 0.000 0.208 442 K C 2.185 178.877 176.600 0.153 0.000 1.047 442 K CA 1.377 57.756 56.287 0.153 0.000 0.928 442 K CB -0.268 32.297 32.500 0.108 0.000 0.716 442 K HN 0.224 nan 8.250 nan 0.000 0.446 443 A N 0.411 123.340 122.820 0.181 0.000 1.898 443 A HA -0.088 4.232 4.320 -0.000 0.000 0.216 443 A C 2.196 179.943 177.584 0.271 0.000 1.181 443 A CA 1.532 53.709 52.037 0.234 0.000 0.620 443 A CB -0.496 18.714 19.000 0.350 0.000 0.819 443 A HN 0.174 nan 8.150 nan 0.000 0.442 444 V N -0.134 119.922 119.914 0.236 0.000 2.407 444 V HA -0.201 3.919 4.120 -0.000 0.000 0.248 444 V C 2.381 178.554 176.094 0.132 0.000 1.055 444 V CA 1.666 64.076 62.300 0.183 0.000 1.049 444 V CB -0.659 31.193 31.823 0.049 0.000 0.662 444 V HN 0.558 nan 8.190 nan 0.000 0.455 445 L N -0.384 120.922 121.223 0.139 0.000 2.465 445 L HA -0.055 4.285 4.340 -0.000 0.000 0.224 445 L C 1.854 178.769 176.870 0.075 0.000 1.145 445 L CA 1.052 55.953 54.840 0.102 0.000 0.834 445 L CB -0.126 41.998 42.059 0.108 0.000 0.944 445 L HN 0.418 nan 8.230 nan 0.000 0.451 446 E N -0.906 119.342 120.200 0.079 0.000 2.501 446 E HA 0.163 4.513 4.350 -0.000 0.000 0.200 446 E C 1.069 177.690 176.600 0.036 0.000 1.016 446 E CA 0.388 56.820 56.400 0.052 0.000 0.921 446 E CB 0.669 30.398 29.700 0.050 0.000 1.034 446 E HN 0.327 nan 8.360 nan 0.000 0.468 447 G N 2.247 111.076 108.800 0.049 0.000 2.198 447 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.260 447 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.260 447 G C 0.830 175.727 174.900 -0.005 0.000 1.025 447 G CA 0.765 45.884 45.100 0.032 0.000 0.769 447 G HN 0.260 nan 8.290 nan 0.000 0.507 448 K N -1.355 119.033 120.400 -0.021 0.000 2.155 448 K HA 0.021 4.341 4.320 -0.000 0.000 0.203 448 K C 0.778 177.143 176.600 -0.393 0.000 1.052 448 K CA 1.186 57.343 56.287 -0.217 0.000 0.948 448 K CB 0.111 32.446 32.500 -0.276 0.000 0.728 448 K HN 0.545 nan 8.250 nan 0.000 0.448 449 Y N 0.473 120.787 120.300 0.023 0.000 2.722 449 Y HA 0.123 4.673 4.550 -0.000 0.000 0.314 449 Y C 0.806 176.752 175.900 0.076 0.000 1.008 449 Y CA -0.510 57.610 58.100 0.035 0.000 1.294 449 Y CB 0.384 38.875 38.460 0.052 0.000 1.231 449 Y HN -0.022 nan 8.280 nan 0.000 0.558 450 D N 0.549 121.016 120.400 0.111 0.000 2.162 450 D HA -0.143 4.497 4.640 -0.000 0.000 0.205 450 D C 1.887 178.235 176.300 0.080 0.000 0.964 450 D CA 1.147 55.202 54.000 0.092 0.000 0.847 450 D CB 0.106 40.932 40.800 0.043 0.000 0.988 450 D HN 0.453 nan 8.370 nan 0.000 0.480 451 N N 1.192 119.919 118.700 0.045 0.000 2.381 451 N HA -0.140 4.600 4.740 -0.000 0.000 0.182 451 N C 0.844 176.378 175.510 0.040 0.000 1.025 451 N CA 0.158 53.227 53.050 0.031 0.000 0.888 451 N CB -0.590 37.900 38.487 0.004 0.000 0.965 451 N HN 0.201 nan 8.380 nan 0.000 0.438 452 I N 3.265 123.869 120.570 0.056 0.000 2.741 452 I HA -0.008 4.162 4.170 -0.000 0.000 0.288 452 I C -1.456 174.695 176.117 0.057 0.000 1.192 452 I CA -1.193 60.121 61.300 0.023 0.000 1.426 452 I CB 0.234 38.212 38.000 -0.036 0.000 1.367 452 I HN 0.113 nan 8.210 nan 0.000 0.563 453 P HA -0.031 nan 4.420 nan 0.000 0.274 453 P C 0.398 177.769 177.300 0.117 0.000 1.264 453 P CA -0.139 62.998 63.100 0.061 0.000 0.795 453 P CB 0.742 32.465 31.700 0.038 0.000 1.064 454 E N -0.440 119.840 120.200 0.133 0.000 2.028 454 E HA -0.241 4.109 4.350 -0.000 0.000 0.191 454 E C 2.008 178.734 176.600 0.209 0.000 0.988 454 E CA 1.091 57.598 56.400 0.177 0.000 0.799 454 E CB -0.512 29.262 29.700 0.123 0.000 0.755 454 E HN 0.535 nan 8.360 nan 0.000 0.447 455 H N -0.763 118.357 119.070 0.084 0.000 2.491 455 H HA 0.120 4.676 4.556 -0.000 0.000 0.290 455 H C 1.496 176.878 175.328 0.090 0.000 1.050 455 H CA 1.076 57.179 56.048 0.092 0.000 1.309 455 H CB 0.021 29.805 29.762 0.037 0.000 1.392 455 H HN 0.255 nan 8.280 nan 0.000 0.554 456 A N -0.723 122.123 122.820 0.043 0.000 2.225 456 A HA -0.100 4.220 4.320 -0.000 0.000 0.215 456 A C 1.276 178.650 177.584 -0.350 0.000 1.164 456 A CA 0.999 52.942 52.037 -0.157 0.000 0.710 456 A CB -0.697 18.145 19.000 -0.264 0.000 0.780 456 A HN 0.460 nan 8.150 nan 0.000 0.473 457 F N -2.818 117.059 119.950 -0.122 0.000 2.622 457 F HA 0.222 4.749 4.527 -0.000 0.000 0.288 457 F C 0.815 176.590 175.800 -0.042 0.000 1.120 457 F CA -0.634 57.267 58.000 -0.166 0.000 1.423 457 F CB -0.225 38.673 39.000 -0.170 0.000 1.127 457 F HN 0.286 nan 8.300 nan 0.000 0.588 458 Y N 1.387 121.658 120.300 -0.049 0.000 2.610 458 Y HA 0.169 4.719 4.550 -0.000 0.000 0.332 458 Y C 0.834 176.685 175.900 -0.083 0.000 1.201 458 Y CA -1.109 56.909 58.100 -0.135 0.000 1.465 458 Y CB 0.272 38.461 38.460 -0.451 0.000 1.283 458 Y HN 0.161 nan 8.280 nan 0.000 0.563 459 M N 5.205 124.346 119.600 -0.765 0.000 2.657 459 M HA -0.156 4.324 4.480 -0.000 0.000 0.175 459 M C -1.524 174.641 176.300 -0.226 0.000 1.093 459 M CA 1.412 56.351 55.300 -0.603 0.000 0.640 459 M CB -1.172 30.880 32.600 -0.913 0.000 1.157 459 M HN 0.524 nan 8.290 nan 0.000 0.812 460 V N -1.001 118.862 119.914 -0.085 0.000 3.182 460 V HA 1.074 5.194 4.120 -0.000 0.000 0.308 460 V C 0.679 176.802 176.094 0.049 0.000 1.240 460 V CA -0.392 61.902 62.300 -0.010 0.000 1.063 460 V CB 1.356 33.177 31.823 -0.003 0.000 1.076 460 V HN 0.487 nan 8.190 nan 0.000 0.446 461 G N 0.009 108.840 108.800 0.052 0.000 3.224 461 G HA2 0.570 4.530 3.960 -0.000 0.000 0.161 461 G HA3 0.570 4.530 3.960 -0.000 0.000 0.161 461 G C 0.455 175.431 174.900 0.128 0.000 1.872 461 G CA -0.070 45.067 45.100 0.062 0.000 1.012 461 G HN 1.479 nan 8.290 nan 0.000 0.504 462 G N -1.048 107.807 108.800 0.091 0.000 2.502 462 G HA2 0.412 4.372 3.960 -0.000 0.000 0.305 462 G HA3 0.412 4.372 3.960 -0.000 0.000 0.305 462 G C 1.318 176.275 174.900 0.095 0.000 1.190 462 G CA 0.017 45.188 45.100 0.119 0.000 0.933 462 G HN 0.813 nan 8.290 nan 0.000 0.503 463 I N -1.338 119.282 120.570 0.084 0.000 2.178 463 I HA -0.384 3.786 4.170 -0.000 0.000 0.243 463 I C 2.125 178.161 176.117 -0.136 0.000 1.019 463 I CA 2.408 63.646 61.300 -0.103 0.000 1.294 463 I CB -0.656 37.273 38.000 -0.119 0.000 0.996 463 I HN 0.587 nan 8.210 nan 0.000 0.415 464 E N 1.189 121.356 120.200 -0.056 0.000 2.147 464 E HA -0.255 4.095 4.350 -0.000 0.000 0.199 464 E C 1.759 178.319 176.600 -0.066 0.000 1.005 464 E CA 1.900 58.273 56.400 -0.046 0.000 0.810 464 E CB -0.386 29.305 29.700 -0.016 0.000 0.736 464 E HN 0.707 nan 8.360 nan 0.000 0.460 465 D N 0.095 120.456 120.400 -0.065 0.000 2.194 465 D HA -0.078 4.562 4.640 -0.000 0.000 0.204 465 D C 2.104 178.320 176.300 -0.140 0.000 0.964 465 D CA 0.552 54.510 54.000 -0.071 0.000 0.846 465 D CB -0.200 40.580 40.800 -0.033 0.000 0.962 465 D HN 0.062 nan 8.370 nan 0.000 0.490 466 V N 0.760 120.534 119.914 -0.234 0.000 2.427 466 V HA -0.170 3.950 4.120 -0.000 0.000 0.248 466 V C 2.616 178.495 176.094 -0.358 0.000 1.051 466 V CA 0.890 62.931 62.300 -0.431 0.000 1.048 466 V CB -0.567 30.795 31.823 -0.769 0.000 0.666 466 V HN 0.061 nan 8.190 nan 0.000 0.456 467 V N 0.534 120.301 119.914 -0.244 0.000 2.358 467 V HA -0.190 3.930 4.120 -0.000 0.000 0.246 467 V C 2.620 178.656 176.094 -0.097 0.000 1.047 467 V CA 1.990 64.214 62.300 -0.126 0.000 1.035 467 V CB -0.898 30.896 31.823 -0.048 0.000 0.658 467 V HN 0.564 nan 8.190 nan 0.000 0.452 468 A N -1.265 121.500 122.820 -0.091 0.000 2.206 468 A HA -0.091 4.229 4.320 -0.000 0.000 0.211 468 A C 2.261 179.808 177.584 -0.061 0.000 1.158 468 A CA 1.303 53.304 52.037 -0.061 0.000 0.761 468 A CB -0.239 18.735 19.000 -0.045 0.000 0.801 468 A HN 0.495 nan 8.150 nan 0.000 0.473 469 K N -0.714 119.631 120.400 -0.093 0.000 2.214 469 K HA 0.211 4.531 4.320 -0.000 0.000 0.201 469 K C 2.115 178.678 176.600 -0.063 0.000 1.049 469 K CA 0.744 56.988 56.287 -0.070 0.000 0.978 469 K CB -0.083 32.364 32.500 -0.087 0.000 0.842 469 K HN 0.319 nan 8.250 nan 0.000 0.474 470 A N 1.471 124.227 122.820 -0.106 0.000 2.019 470 A HA -0.162 4.158 4.320 -0.000 0.000 0.219 470 A C 1.668 179.224 177.584 -0.047 0.000 1.164 470 A CA 1.435 53.422 52.037 -0.082 0.000 0.644 470 A CB -0.332 18.596 19.000 -0.120 0.000 0.805 470 A HN 0.393 nan 8.150 nan 0.000 0.449 471 E N -0.479 119.694 120.200 -0.046 0.000 2.107 471 E HA -0.155 4.195 4.350 -0.000 0.000 0.191 471 E C 2.049 178.637 176.600 -0.020 0.000 0.982 471 E CA 1.141 57.524 56.400 -0.029 0.000 0.809 471 E CB -0.093 29.591 29.700 -0.028 0.000 0.756 471 E HN 0.632 nan 8.360 nan 0.000 0.459 472 K N 1.080 121.469 120.400 -0.018 0.000 2.025 472 K HA -0.121 4.199 4.320 -0.000 0.000 0.207 472 K C 2.153 178.750 176.600 -0.005 0.000 1.049 472 K CA 0.807 57.089 56.287 -0.008 0.000 0.933 472 K CB -0.065 32.434 32.500 -0.002 0.000 0.714 472 K HN 0.069 nan 8.250 nan 0.000 0.438 473 L N 0.576 121.797 121.223 -0.003 0.000 2.129 473 L HA -0.228 4.112 4.340 -0.000 0.000 0.212 473 L C 2.526 179.391 176.870 -0.008 0.000 1.087 473 L CA 1.348 56.186 54.840 -0.002 0.000 0.757 473 L CB -0.543 41.519 42.059 0.004 0.000 0.896 473 L HN 0.292 nan 8.230 nan 0.000 0.434 474 A N -0.536 122.278 122.820 -0.011 0.000 2.015 474 A HA 0.211 4.531 4.320 -0.000 0.000 0.219 474 A C 1.332 178.910 177.584 -0.009 0.000 1.163 474 A CA 1.257 53.288 52.037 -0.011 0.000 0.646 474 A CB -0.329 18.664 19.000 -0.013 0.000 0.806 474 A HN 0.385 nan 8.150 nan 0.000 0.448 475 A N 0.000 122.815 122.820 -0.009 0.000 2.254 475 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 475 A CA 0.000 52.033 52.037 -0.007 0.000 0.836 475 A CB 0.000 18.996 19.000 -0.007 0.000 0.831 475 A HN 0.000 nan 8.150 nan 0.000 0.486