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 1ss8_1_G DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND AGVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTVAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.581 177.584 -0.005 0.000 1.274 2 A CA 0.000 52.033 52.037 -0.007 0.000 0.836 2 A CB 0.000 18.992 19.000 -0.013 0.000 0.831 3 A N 1.890 124.710 122.820 -0.001 0.000 2.561 3 A HA 0.489 4.798 4.320 -0.019 0.000 0.234 3 A C 0.326 177.911 177.584 0.001 0.000 1.055 3 A CA 0.512 52.552 52.037 0.005 0.000 0.756 3 A CB -0.085 18.920 19.000 0.009 0.000 0.986 3 A HN 0.641 nan 8.150 nan 0.000 0.505 4 K N 1.214 121.620 120.400 0.010 0.000 2.185 4 K HA 0.467 4.776 4.320 -0.019 0.000 0.240 4 K C -1.132 175.488 176.600 0.034 0.000 0.983 4 K CA -0.716 55.576 56.287 0.007 0.000 0.873 4 K CB 1.383 33.887 32.500 0.007 0.000 1.118 4 K HN 0.718 nan 8.250 nan 0.000 0.441 5 D N 0.754 121.182 120.400 0.046 0.000 2.308 5 D HA 0.370 4.998 4.640 -0.019 0.000 0.242 5 D C -1.286 175.142 176.300 0.214 0.000 1.059 5 D CA -0.579 53.503 54.000 0.138 0.000 0.830 5 D CB 1.299 42.201 40.800 0.171 0.000 1.161 5 D HN 0.077 nan 8.370 nan 0.000 0.494 6 V N 4.048 124.054 119.914 0.154 0.000 2.540 6 V HA 0.521 4.630 4.120 -0.019 0.000 0.302 6 V C 0.130 176.152 176.094 -0.120 0.000 1.035 6 V CA -0.789 61.525 62.300 0.023 0.000 0.873 6 V CB 1.824 33.616 31.823 -0.052 0.000 0.992 6 V HN 0.408 nan 8.190 nan 0.000 0.428 7 K N 3.067 123.266 120.400 -0.335 0.000 2.435 7 K HA 0.770 5.079 4.320 -0.019 0.000 0.251 7 K C -1.756 174.523 176.600 -0.536 0.000 0.954 7 K CA -0.606 55.440 56.287 -0.401 0.000 0.820 7 K CB 2.671 34.784 32.500 -0.645 0.000 1.292 7 K HN 0.458 nan 8.250 nan 0.000 0.436 8 F N -0.233 119.657 119.950 -0.100 0.000 2.577 8 F HA 0.372 4.898 4.527 -0.003 0.000 0.318 8 F C 1.168 176.932 175.800 -0.059 0.000 1.065 8 F CA 0.061 58.027 58.000 -0.057 0.000 0.929 8 F CB 1.808 40.786 39.000 -0.037 0.000 1.237 8 F HN 0.827 nan 8.300 nan 0.000 0.468 9 G N 2.317 111.215 108.800 0.163 0.000 2.684 9 G HA2 -0.461 3.488 3.960 -0.019 0.000 0.342 9 G HA3 -0.461 3.488 3.960 -0.019 0.000 0.342 9 G C 1.017 175.934 174.900 0.029 0.000 1.316 9 G CA 1.247 46.395 45.100 0.079 0.000 0.994 9 G HN 0.816 nan 8.290 nan 0.000 0.541 10 N N 0.879 119.590 118.700 0.019 0.000 2.223 10 N HA -0.039 4.690 4.740 -0.019 0.000 0.185 10 N C 1.630 177.127 175.510 -0.022 0.000 1.016 10 N CA 1.220 54.270 53.050 -0.001 0.000 0.863 10 N CB -0.159 38.327 38.487 -0.000 0.000 0.983 10 N HN 0.494 nan 8.380 nan 0.000 0.429 11 D N 0.876 121.258 120.400 -0.030 0.000 2.123 11 D HA -0.123 4.505 4.640 -0.019 0.000 0.196 11 D C 1.931 178.148 176.300 -0.138 0.000 0.992 11 D CA 1.075 55.028 54.000 -0.080 0.000 0.833 11 D CB -0.348 40.395 40.800 -0.094 0.000 0.954 11 D HN 0.321 nan 8.370 nan 0.000 0.455 12 A N 0.489 123.230 122.820 -0.132 0.000 1.929 12 A HA 0.066 4.375 4.320 -0.019 0.000 0.216 12 A C 2.342 179.882 177.584 -0.073 0.000 1.176 12 A CA 1.833 53.776 52.037 -0.156 0.000 0.628 12 A CB -0.920 18.008 19.000 -0.120 0.000 0.816 12 A HN 0.292 nan 8.150 nan 0.000 0.444 13 G N 0.174 108.949 108.800 -0.041 0.000 2.459 13 G HA2 -0.191 3.758 3.960 -0.019 0.000 0.217 13 G HA3 -0.191 3.758 3.960 -0.019 0.000 0.217 13 G C 1.691 176.582 174.900 -0.014 0.000 1.183 13 G CA 2.180 47.271 45.100 -0.016 0.000 0.776 13 G HN 1.029 nan 8.290 nan 0.000 0.552 14 V N -0.773 119.127 119.914 -0.023 0.000 2.407 14 V HA -0.105 4.004 4.120 -0.019 0.000 0.248 14 V C 2.514 178.603 176.094 -0.008 0.000 1.055 14 V CA 2.322 64.614 62.300 -0.014 0.000 1.049 14 V CB -0.521 31.293 31.823 -0.016 0.000 0.662 14 V HN 0.124 nan 8.190 nan 0.000 0.455 15 K N 0.240 120.627 120.400 -0.022 0.000 2.026 15 K HA -0.037 4.271 4.320 -0.019 0.000 0.208 15 K C 2.261 178.886 176.600 0.043 0.000 1.048 15 K CA 2.212 58.510 56.287 0.017 0.000 0.929 15 K CB -0.608 31.908 32.500 0.028 0.000 0.713 15 K HN 0.565 nan 8.250 nan 0.000 0.439 16 M N 0.416 120.036 119.600 0.034 0.000 2.117 16 M HA -0.161 4.307 4.480 -0.019 0.000 0.262 16 M C 2.247 178.563 176.300 0.028 0.000 1.065 16 M CA 1.108 56.431 55.300 0.039 0.000 1.114 16 M CB -0.398 32.221 32.600 0.033 0.000 1.361 16 M HN 0.027 nan 8.290 nan 0.000 0.408 17 L N 0.689 121.923 121.223 0.019 0.000 2.046 17 L HA -0.151 4.177 4.340 -0.019 0.000 0.208 17 L C 2.412 179.293 176.870 0.018 0.000 1.077 17 L CA 1.844 56.694 54.840 0.016 0.000 0.747 17 L CB -0.510 41.556 42.059 0.011 0.000 0.896 17 L HN 0.144 nan 8.230 nan 0.000 0.432 18 R N -0.445 120.067 120.500 0.020 0.000 2.081 18 R HA -0.097 4.232 4.340 -0.019 0.000 0.235 18 R C 2.224 178.538 176.300 0.024 0.000 1.131 18 R CA 1.225 57.338 56.100 0.021 0.000 0.960 18 R CB -1.081 29.233 30.300 0.023 0.000 0.856 18 R HN 0.579 nan 8.270 nan 0.000 0.436 19 G N 0.505 109.323 108.800 0.030 0.000 2.408 19 G HA2 -0.185 3.764 3.960 -0.019 0.000 0.217 19 G HA3 -0.185 3.764 3.960 -0.019 0.000 0.217 19 G C 1.472 176.385 174.900 0.021 0.000 1.150 19 G CA 0.524 45.641 45.100 0.028 0.000 0.776 19 G HN 0.126 nan 8.290 nan 0.000 0.542 20 V N 1.341 121.267 119.914 0.021 0.000 2.453 20 V HA -0.138 3.971 4.120 -0.019 0.000 0.247 20 V C 2.603 178.706 176.094 0.015 0.000 1.048 20 V CA 1.592 63.903 62.300 0.017 0.000 1.049 20 V CB -0.398 31.436 31.823 0.018 0.000 0.672 20 V HN 0.291 nan 8.190 nan 0.000 0.457 21 N N 0.278 118.987 118.700 0.015 0.000 2.166 21 N HA -0.127 4.602 4.740 -0.019 0.000 0.186 21 N C 1.756 177.273 175.510 0.012 0.000 1.019 21 N CA 1.291 54.348 53.050 0.013 0.000 0.856 21 N CB -0.362 38.132 38.487 0.012 0.000 0.993 21 N HN 0.349 nan 8.380 nan 0.000 0.426 22 V N 1.362 121.284 119.914 0.013 0.000 2.307 22 V HA -0.164 3.945 4.120 -0.019 0.000 0.245 22 V C 2.390 178.490 176.094 0.009 0.000 1.045 22 V CA 0.953 63.259 62.300 0.011 0.000 1.024 22 V CB -0.569 31.261 31.823 0.012 0.000 0.651 22 V HN 0.177 nan 8.190 nan 0.000 0.449 23 L N 1.009 122.238 121.223 0.009 0.000 1.971 23 L HA -0.182 4.147 4.340 -0.019 0.000 0.215 23 L C 2.415 179.289 176.870 0.008 0.000 1.072 23 L CA 2.753 57.597 54.840 0.007 0.000 0.758 23 L CB -0.955 41.108 42.059 0.007 0.000 0.889 23 L HN 0.228 nan 8.230 nan 0.000 0.433 24 A N -1.098 121.727 122.820 0.009 0.000 1.898 24 A HA -0.172 4.137 4.320 -0.019 0.000 0.216 24 A C 1.963 179.552 177.584 0.009 0.000 1.181 24 A CA 1.621 53.664 52.037 0.010 0.000 0.620 24 A CB -0.848 18.159 19.000 0.012 0.000 0.819 24 A HN 0.576 nan 8.150 nan 0.000 0.442 25 D N 0.394 120.799 120.400 0.009 0.000 2.144 25 D HA -0.066 4.563 4.640 -0.019 0.000 0.199 25 D C 2.186 178.490 176.300 0.007 0.000 0.984 25 D CA 1.488 55.493 54.000 0.008 0.000 0.834 25 D CB -0.474 40.331 40.800 0.008 0.000 0.955 25 D HN 0.423 nan 8.370 nan 0.000 0.465 26 A N 0.503 123.327 122.820 0.007 0.000 1.902 26 A HA -0.136 4.173 4.320 -0.019 0.000 0.217 26 A C 2.497 180.084 177.584 0.005 0.000 1.181 26 A CA 1.221 53.262 52.037 0.006 0.000 0.623 26 A CB -0.673 18.330 19.000 0.005 0.000 0.818 26 A HN 0.172 nan 8.150 nan 0.000 0.443 27 V N 0.958 120.876 119.914 0.005 0.000 2.535 27 V HA -0.167 3.941 4.120 -0.019 0.000 0.246 27 V C 2.481 178.579 176.094 0.006 0.000 1.045 27 V CA 2.030 64.333 62.300 0.005 0.000 1.058 27 V CB -0.452 31.374 31.823 0.005 0.000 0.689 27 V HN 0.835 nan 8.190 nan 0.000 0.461 28 K N 1.138 121.542 120.400 0.007 0.000 2.432 28 K HA -0.036 4.273 4.320 -0.019 0.000 0.196 28 K C 1.694 178.298 176.600 0.008 0.000 1.038 28 K CA 1.475 57.767 56.287 0.008 0.000 0.986 28 K CB -0.315 32.191 32.500 0.009 0.000 0.782 28 K HN 0.478 nan 8.250 nan 0.000 0.485 29 V N -0.119 119.799 119.914 0.007 0.000 3.141 29 V HA -0.101 4.008 4.120 -0.019 0.000 0.265 29 V C 2.015 178.112 176.094 0.006 0.000 1.126 29 V CA 1.594 63.898 62.300 0.006 0.000 1.141 29 V CB -0.981 30.845 31.823 0.006 0.000 0.743 29 V HN 0.503 nan 8.190 nan 0.000 0.492 30 T N -2.340 112.217 114.554 0.005 0.000 3.081 30 T HA 0.264 4.602 4.350 -0.019 0.000 0.250 30 T C 0.522 175.224 174.700 0.004 0.000 1.100 30 T CA -0.092 62.010 62.100 0.004 0.000 1.038 30 T CB -0.151 68.719 68.868 0.003 0.000 0.962 30 T HN 0.362 nan 8.240 nan 0.000 0.516 31 L N 2.559 123.785 121.223 0.006 0.000 2.380 31 L HA 0.569 4.897 4.340 -0.019 0.000 0.273 31 L C 0.871 177.746 176.870 0.007 0.000 1.138 31 L CA 1.529 56.374 54.840 0.007 0.000 0.832 31 L CB -0.261 41.804 42.059 0.010 0.000 1.124 31 L HN 0.680 nan 8.230 nan 0.000 0.454 32 G N 4.509 113.312 108.800 0.004 0.000 2.760 32 G HA2 -0.177 3.772 3.960 -0.019 0.000 0.246 32 G HA3 -0.177 3.772 3.960 -0.019 0.000 0.246 32 G C -2.001 172.896 174.900 -0.006 0.000 1.359 32 G CA -0.283 44.818 45.100 0.001 0.000 0.861 32 G HN 0.579 nan 8.290 nan 0.000 0.541 33 P HA 0.090 nan 4.420 nan 0.000 0.225 33 P C 1.001 178.292 177.300 -0.015 0.000 1.156 33 P CA 1.182 64.269 63.100 -0.021 0.000 0.787 33 P CB 0.081 31.759 31.700 -0.038 0.000 0.802 34 K N 0.202 120.598 120.400 -0.007 0.000 2.570 34 K HA 0.316 4.624 4.320 -0.019 0.000 0.210 34 K C 0.833 177.434 176.600 0.002 0.000 1.048 34 K CA -0.241 56.045 56.287 -0.002 0.000 1.167 34 K CB -0.305 32.197 32.500 0.003 0.000 0.892 34 K HN 0.015 nan 8.250 nan 0.000 0.480 35 G N 1.091 109.891 108.800 0.001 0.000 2.414 35 G HA2 0.012 3.961 3.960 -0.019 0.000 0.236 35 G HA3 0.012 3.961 3.960 -0.019 0.000 0.236 35 G C -0.102 174.799 174.900 0.002 0.000 1.293 35 G CA -0.413 44.689 45.100 0.002 0.000 0.869 35 G HN 0.107 nan 8.290 nan 0.000 0.556 36 R N 1.106 121.608 120.500 0.003 0.000 2.549 36 R HA 0.256 4.585 4.340 -0.019 0.000 0.267 36 R C 0.313 176.614 176.300 0.002 0.000 1.045 36 R CA -0.965 55.137 56.100 0.003 0.000 1.115 36 R CB 0.347 30.650 30.300 0.004 0.000 1.121 36 R HN 0.548 nan 8.270 nan 0.000 0.543 37 N N 0.065 118.767 118.700 0.002 0.000 2.525 37 N HA 0.152 4.881 4.740 -0.019 0.000 0.271 37 N C -0.491 175.021 175.510 0.004 0.000 1.194 37 N CA -0.102 52.950 53.050 0.003 0.000 0.964 37 N CB 1.126 39.615 38.487 0.003 0.000 1.126 37 N HN 0.099 nan 8.380 nan 0.000 0.452 38 V N 1.515 121.432 119.914 0.004 0.000 2.628 38 V HA 0.333 4.442 4.120 -0.019 0.000 0.306 38 V C 0.070 176.168 176.094 0.006 0.000 1.045 38 V CA -0.848 61.455 62.300 0.005 0.000 0.905 38 V CB 2.137 33.962 31.823 0.005 0.000 0.997 38 V HN 0.284 nan 8.190 nan 0.000 0.436 39 V N 5.931 125.849 119.914 0.007 0.000 2.370 39 V HA 0.475 4.584 4.120 -0.019 0.000 0.279 39 V C -0.270 175.830 176.094 0.010 0.000 1.029 39 V CA -0.398 61.907 62.300 0.009 0.000 0.870 39 V CB 1.327 33.155 31.823 0.008 0.000 0.984 39 V HN 0.604 nan 8.190 nan 0.000 0.451 40 L N 3.868 125.099 121.223 0.012 0.000 2.313 40 L HA 0.570 4.899 4.340 -0.019 0.000 0.283 40 L C -0.113 176.768 176.870 0.020 0.000 1.013 40 L CA -0.587 54.261 54.840 0.014 0.000 0.816 40 L CB 1.675 43.742 42.059 0.013 0.000 1.236 40 L HN 0.487 nan 8.230 nan 0.000 0.419 41 D N 2.559 122.971 120.400 0.020 0.000 2.358 41 D HA 0.356 4.985 4.640 -0.019 0.000 0.244 41 D C -0.535 175.786 176.300 0.036 0.000 1.163 41 D CA 0.033 54.048 54.000 0.025 0.000 0.945 41 D CB 0.964 41.776 40.800 0.020 0.000 1.152 41 D HN 0.167 nan 8.370 nan 0.000 0.451 42 K N -0.281 120.149 120.400 0.050 0.000 2.498 42 K HA 0.295 4.604 4.320 -0.019 0.000 0.254 42 K C 0.450 177.098 176.600 0.081 0.000 0.933 42 K CA -0.615 55.721 56.287 0.081 0.000 0.806 42 K CB 1.660 34.233 32.500 0.122 0.000 1.301 42 K HN 0.225 nan 8.250 nan 0.000 0.432 43 S N 0.842 116.601 115.700 0.098 0.000 2.436 43 S HA -0.058 4.401 4.470 -0.019 0.000 0.228 43 S C 1.649 176.313 174.600 0.107 0.000 1.014 43 S CA 0.220 58.470 58.200 0.085 0.000 0.950 43 S CB -0.276 62.974 63.200 0.082 0.000 0.784 43 S HN 0.543 nan 8.310 nan 0.000 0.504 44 F N 2.933 122.881 119.950 -0.003 0.000 2.091 44 F HA 0.090 4.606 4.527 -0.019 0.000 0.299 44 F C 1.637 177.435 175.800 -0.003 0.000 1.103 44 F CA 1.287 59.285 58.000 -0.003 0.000 1.228 44 F CB -0.650 38.349 39.000 -0.003 0.000 0.984 44 F HN 0.358 nan 8.300 nan 0.000 0.477 45 G N -2.021 106.754 108.800 -0.041 0.000 2.825 45 G HA2 0.414 4.363 3.960 -0.019 0.000 0.100 45 G HA3 0.414 4.363 3.960 -0.019 0.000 0.100 45 G C -0.977 173.906 174.900 -0.029 0.000 1.195 45 G CA -0.207 44.830 45.100 -0.105 0.000 1.317 45 G HN 0.393 nan 8.290 nan 0.000 0.632 46 A N 1.939 124.748 122.820 -0.019 0.000 2.388 46 A HA 0.689 4.998 4.320 -0.019 0.000 0.257 46 A C -1.601 175.998 177.584 0.025 0.000 1.095 46 A CA -0.637 51.400 52.037 0.002 0.000 0.791 46 A CB -0.345 18.654 19.000 -0.001 0.000 1.029 46 A HN 0.442 nan 8.150 nan 0.000 0.489 47 P HA 0.189 nan 4.420 nan 0.000 0.270 47 P C 0.001 177.317 177.300 0.028 0.000 1.223 47 P CA 0.104 63.220 63.100 0.027 0.000 0.785 47 P CB 0.444 32.154 31.700 0.017 0.000 0.923 48 T N -0.757 113.814 114.554 0.029 0.000 2.867 48 T HA 0.632 4.971 4.350 -0.019 0.000 0.282 48 T C -0.182 174.528 174.700 0.017 0.000 1.000 48 T CA -0.772 61.344 62.100 0.025 0.000 1.042 48 T CB 0.181 69.067 68.868 0.030 0.000 0.973 48 T HN 0.214 nan 8.240 nan 0.000 0.465 49 I N 2.908 123.486 120.570 0.013 0.000 2.389 49 I HA 0.529 4.688 4.170 -0.019 0.000 0.288 49 I C 0.264 176.385 176.117 0.007 0.000 0.999 49 I CA -0.595 60.711 61.300 0.009 0.000 1.129 49 I CB 2.047 40.051 38.000 0.007 0.000 1.288 49 I HN 0.744 nan 8.210 nan 0.000 0.444 50 T N 4.259 118.816 114.554 0.006 0.000 2.853 50 T HA 0.401 4.740 4.350 -0.019 0.000 0.311 50 T C -0.213 174.488 174.700 0.002 0.000 1.307 50 T CA -0.538 61.565 62.100 0.004 0.000 1.019 50 T CB 1.761 70.631 68.868 0.004 0.000 1.264 50 T HN 0.659 nan 8.240 nan 0.000 0.497 51 K N 1.116 121.516 120.400 0.001 0.000 2.469 51 K HA 0.191 4.500 4.320 -0.019 0.000 0.204 51 K C -0.659 175.941 176.600 -0.000 0.000 1.047 51 K CA -0.309 55.978 56.287 0.000 0.000 1.072 51 K CB 0.590 33.089 32.500 -0.001 0.000 0.863 51 K HN 0.386 nan 8.250 nan 0.000 0.530 52 D N 0.546 120.946 120.400 -0.000 0.000 2.411 52 D HA 0.093 4.722 4.640 -0.019 0.000 0.225 52 D C 1.076 177.376 176.300 -0.000 0.000 1.156 52 D CA -0.105 53.894 54.000 -0.001 0.000 0.874 52 D CB 1.227 42.025 40.800 -0.002 0.000 1.034 52 D HN 0.271 nan 8.370 nan 0.000 0.502 53 G N 2.508 111.309 108.800 0.001 0.000 2.462 53 G HA2 -0.193 3.756 3.960 -0.019 0.000 0.220 53 G HA3 -0.193 3.756 3.960 -0.019 0.000 0.220 53 G C 1.547 176.447 174.900 -0.001 0.000 1.121 53 G CA 0.543 45.644 45.100 0.001 0.000 0.758 53 G HN 0.474 nan 8.290 nan 0.000 0.559 54 V N 1.143 121.056 119.914 -0.002 0.000 2.307 54 V HA -0.179 3.930 4.120 -0.019 0.000 0.245 54 V C 3.082 179.173 176.094 -0.005 0.000 1.045 54 V CA 2.183 64.480 62.300 -0.004 0.000 1.024 54 V CB -0.625 31.196 31.823 -0.003 0.000 0.651 54 V HN 0.385 nan 8.190 nan 0.000 0.449 55 S N 0.193 115.890 115.700 -0.004 0.000 2.374 55 S HA -0.206 4.253 4.470 -0.019 0.000 0.227 55 S C 2.024 176.623 174.600 -0.003 0.000 1.037 55 S CA 1.667 59.864 58.200 -0.004 0.000 1.024 55 S CB -0.429 62.769 63.200 -0.002 0.000 0.861 55 S HN 0.385 nan 8.310 nan 0.000 0.456 56 V N 2.222 122.136 119.914 -0.001 0.000 2.255 56 V HA -0.246 3.863 4.120 -0.019 0.000 0.247 56 V C 2.739 178.832 176.094 -0.002 0.000 1.051 56 V CA 1.821 64.121 62.300 -0.000 0.000 1.018 56 V CB -1.380 30.444 31.823 0.001 0.000 0.641 56 V HN 0.572 nan 8.190 nan 0.000 0.445 57 A N 0.248 123.066 122.820 -0.003 0.000 1.940 57 A HA -0.282 4.027 4.320 -0.019 0.000 0.219 57 A C 2.412 179.991 177.584 -0.008 0.000 1.176 57 A CA 2.124 54.158 52.037 -0.005 0.000 0.631 57 A CB -0.665 18.331 19.000 -0.008 0.000 0.814 57 A HN 0.543 nan 8.150 nan 0.000 0.446 58 R N -0.381 120.113 120.500 -0.010 0.000 2.159 58 R HA -0.143 4.186 4.340 -0.019 0.000 0.237 58 R C 0.987 177.281 176.300 -0.011 0.000 1.131 58 R CA 1.620 57.713 56.100 -0.013 0.000 0.982 58 R CB -0.123 30.168 30.300 -0.015 0.000 0.868 58 R HN 0.417 nan 8.270 nan 0.000 0.453 59 E N 0.342 120.539 120.200 -0.006 0.000 2.478 59 E HA 0.037 4.376 4.350 -0.019 0.000 0.194 59 E C 0.123 176.721 176.600 -0.003 0.000 1.045 59 E CA 0.083 56.481 56.400 -0.004 0.000 0.868 59 E CB 0.312 30.012 29.700 -0.000 0.000 0.885 59 E HN 0.275 nan 8.360 nan 0.000 0.505 60 I N 2.065 122.633 120.570 -0.004 0.000 2.396 60 I HA 0.174 4.333 4.170 -0.019 0.000 0.289 60 I C 0.387 176.502 176.117 -0.004 0.000 1.056 60 I CA 0.117 61.416 61.300 -0.002 0.000 1.365 60 I CB 0.305 38.304 38.000 -0.000 0.000 1.407 60 I HN -0.043 nan 8.210 nan 0.000 0.509 61 E N 7.035 127.233 120.200 -0.003 0.000 2.343 61 E HA 0.607 4.945 4.350 -0.019 0.000 0.278 61 E C -1.900 174.698 176.600 -0.003 0.000 0.910 61 E CA -0.622 55.774 56.400 -0.006 0.000 0.757 61 E CB 2.370 32.065 29.700 -0.008 0.000 1.218 61 E HN 0.450 nan 8.360 nan 0.000 0.435 62 L N 3.080 124.301 121.223 -0.004 0.000 2.341 62 L HA 0.392 4.721 4.340 -0.019 0.000 0.267 62 L C 1.209 178.077 176.870 -0.002 0.000 1.009 62 L CA -0.567 54.274 54.840 0.001 0.000 0.819 62 L CB 1.866 43.930 42.059 0.009 0.000 1.323 62 L HN 0.777 nan 8.230 nan 0.000 0.425 63 E N 0.667 120.868 120.200 0.002 0.000 2.072 63 E HA -0.138 4.201 4.350 -0.019 0.000 0.190 63 E C 0.505 177.104 176.600 -0.002 0.000 0.982 63 E CA 0.402 56.801 56.400 -0.001 0.000 0.803 63 E CB 0.293 29.995 29.700 0.004 0.000 0.755 63 E HN 0.649 nan 8.360 nan 0.000 0.453 64 D N 0.614 121.023 120.400 0.015 0.000 2.450 64 D HA -0.066 4.563 4.640 -0.019 0.000 0.247 64 D C 0.643 176.943 176.300 0.001 0.000 1.162 64 D CA 0.053 54.072 54.000 0.032 0.000 0.879 64 D CB 0.955 41.799 40.800 0.073 0.000 1.163 64 D HN 0.096 nan 8.370 nan 0.000 0.472 65 K N 3.742 124.098 120.400 -0.073 0.000 2.097 65 K HA -0.124 4.185 4.320 -0.019 0.000 0.205 65 K C 1.963 178.444 176.600 -0.199 0.000 1.050 65 K CA 0.977 57.145 56.287 -0.199 0.000 0.938 65 K CB -0.319 31.976 32.500 -0.343 0.000 0.718 65 K HN 0.473 nan 8.250 nan 0.000 0.442 66 F N 2.280 122.220 119.950 -0.016 0.000 2.186 66 F HA -0.055 4.463 4.527 -0.015 0.000 0.299 66 F C 2.374 178.166 175.800 -0.014 0.000 1.090 66 F CA 1.030 59.018 58.000 -0.020 0.000 1.307 66 F CB -0.411 38.576 39.000 -0.022 0.000 1.019 66 F HN 0.090 nan 8.300 nan 0.000 0.489 67 E N 0.093 120.395 120.200 0.169 0.000 2.051 67 E HA -0.255 4.084 4.350 -0.019 0.000 0.192 67 E C 2.018 178.649 176.600 0.052 0.000 0.991 67 E CA 1.194 57.648 56.400 0.091 0.000 0.799 67 E CB -0.505 29.236 29.700 0.068 0.000 0.748 67 E HN 0.422 nan 8.360 nan 0.000 0.449 68 N N 0.582 119.298 118.700 0.027 0.000 2.289 68 N HA -0.151 4.578 4.740 -0.019 0.000 0.184 68 N C 1.828 177.338 175.510 -0.000 0.000 1.016 68 N CA 0.828 53.879 53.050 0.002 0.000 0.872 68 N CB 0.033 38.508 38.487 -0.020 0.000 0.973 68 N HN 0.192 nan 8.380 nan 0.000 0.433 69 M N -0.106 119.497 119.600 0.004 0.000 2.200 69 M HA -0.037 4.432 4.480 -0.019 0.000 0.265 69 M C 2.256 178.570 176.300 0.024 0.000 1.066 69 M CA 1.237 56.541 55.300 0.006 0.000 1.127 69 M CB -0.328 32.279 32.600 0.011 0.000 1.379 69 M HN 0.169 nan 8.290 nan 0.000 0.420 70 G N 0.194 109.019 108.800 0.041 0.000 2.459 70 G HA2 -0.205 3.744 3.960 -0.019 0.000 0.217 70 G HA3 -0.205 3.744 3.960 -0.019 0.000 0.217 70 G C 1.596 176.509 174.900 0.021 0.000 1.183 70 G CA 1.082 46.202 45.100 0.035 0.000 0.776 70 G HN 0.530 nan 8.290 nan 0.000 0.552 71 A N 0.131 122.961 122.820 0.017 0.000 1.883 71 A HA -0.100 4.209 4.320 -0.019 0.000 0.217 71 A C 2.431 180.017 177.584 0.003 0.000 1.186 71 A CA 2.085 54.128 52.037 0.010 0.000 0.624 71 A CB -0.395 18.610 19.000 0.008 0.000 0.822 71 A HN 0.351 nan 8.150 nan 0.000 0.444 72 Q N -0.789 119.010 119.800 -0.001 0.000 2.119 72 Q HA -0.111 4.218 4.340 -0.019 0.000 0.201 72 Q C 2.152 178.149 176.000 -0.006 0.000 0.972 72 Q CA 1.460 57.258 55.803 -0.007 0.000 0.847 72 Q CB -0.559 28.171 28.738 -0.013 0.000 0.903 72 Q HN 0.761 nan 8.270 nan 0.000 0.433 73 M N 0.080 119.680 119.600 0.001 0.000 2.163 73 M HA -0.218 4.251 4.480 -0.019 0.000 0.258 73 M C 2.316 178.620 176.300 0.006 0.000 1.071 73 M CA 1.671 56.974 55.300 0.006 0.000 1.093 73 M CB -0.596 32.013 32.600 0.014 0.000 1.285 73 M HN -0.018 nan 8.290 nan 0.000 0.420 74 V N 0.022 119.942 119.914 0.009 0.000 2.332 74 V HA -0.295 3.814 4.120 -0.019 0.000 0.248 74 V C 2.192 178.283 176.094 -0.004 0.000 1.055 74 V CA 1.865 64.171 62.300 0.009 0.000 1.038 74 V CB -0.753 31.078 31.823 0.014 0.000 0.651 74 V HN 0.433 nan 8.190 nan 0.000 0.450 75 K N -0.326 120.069 120.400 -0.009 0.000 2.063 75 K HA -0.234 4.075 4.320 -0.019 0.000 0.208 75 K C 2.334 178.913 176.600 -0.035 0.000 1.048 75 K CA 1.770 58.046 56.287 -0.019 0.000 0.928 75 K CB -0.207 32.282 32.500 -0.018 0.000 0.713 75 K HN 0.478 nan 8.250 nan 0.000 0.442 76 E N 0.286 120.467 120.200 -0.031 0.000 2.077 76 E HA -0.170 4.168 4.350 -0.019 0.000 0.193 76 E C 1.867 178.421 176.600 -0.077 0.000 0.989 76 E CA 1.231 57.603 56.400 -0.045 0.000 0.800 76 E CB 0.243 29.924 29.700 -0.031 0.000 0.746 76 E HN 0.078 nan 8.360 nan 0.000 0.452 77 V N 0.638 120.515 119.914 -0.061 0.000 2.446 77 V HA -0.102 4.007 4.120 -0.019 0.000 0.244 77 V C 2.339 178.332 176.094 -0.169 0.000 1.039 77 V CA 1.354 63.604 62.300 -0.084 0.000 1.045 77 V CB -0.343 31.495 31.823 0.024 0.000 0.681 77 V HN 0.296 nan 8.190 nan 0.000 0.459 78 A N 0.925 123.695 122.820 -0.082 0.000 1.972 78 A HA -0.190 4.119 4.320 -0.019 0.000 0.219 78 A C 2.431 179.931 177.584 -0.139 0.000 1.169 78 A CA 2.099 54.091 52.037 -0.074 0.000 0.635 78 A CB -0.626 18.359 19.000 -0.024 0.000 0.810 78 A HN 0.678 nan 8.150 nan 0.000 0.446 79 S N -0.471 115.145 115.700 -0.140 0.000 2.522 79 S HA -0.032 4.426 4.470 -0.019 0.000 0.227 79 S C 1.564 176.038 174.600 -0.210 0.000 0.986 79 S CA 0.998 59.121 58.200 -0.129 0.000 0.929 79 S CB -0.208 62.938 63.200 -0.089 0.000 0.769 79 S HN 0.607 nan 8.310 nan 0.000 0.529 80 K N 1.607 121.776 120.400 -0.387 0.000 2.147 80 K HA 0.084 4.393 4.320 -0.019 0.000 0.205 80 K C 2.495 178.764 176.600 -0.551 0.000 1.049 80 K CA 1.046 56.972 56.287 -0.601 0.000 0.936 80 K CB -0.551 31.349 32.500 -0.999 0.000 0.722 80 K HN 0.474 nan 8.250 nan 0.000 0.446 81 A N 2.090 124.626 122.820 -0.473 0.000 1.859 81 A HA -0.300 4.008 4.320 -0.019 0.000 0.217 81 A C 1.927 179.491 177.584 -0.033 0.000 1.198 81 A CA 2.243 54.234 52.037 -0.077 0.000 0.629 81 A CB -0.911 18.115 19.000 0.044 0.000 0.830 81 A HN 0.273 nan 8.150 nan 0.000 0.446 82 N N 0.209 118.879 118.700 -0.051 0.000 2.061 82 N HA -0.161 4.568 4.740 -0.019 0.000 0.193 82 N C 1.297 176.792 175.510 -0.026 0.000 1.030 82 N CA 1.770 54.809 53.050 -0.019 0.000 0.856 82 N CB -0.359 38.118 38.487 -0.017 0.000 1.023 82 N HN 0.486 nan 8.380 nan 0.000 0.424 83 D N -0.180 120.183 120.400 -0.061 0.000 2.116 83 D HA -0.154 4.474 4.640 -0.019 0.000 0.193 83 D C 1.690 177.966 176.300 -0.040 0.000 0.998 83 D CA 1.511 55.475 54.000 -0.059 0.000 0.836 83 D CB -0.499 40.252 40.800 -0.082 0.000 0.951 83 D HN 0.376 nan 8.370 nan 0.000 0.449 84 A N -0.006 122.809 122.820 -0.008 0.000 1.970 84 A HA 0.274 4.583 4.320 -0.019 0.000 0.216 84 A C 2.004 179.600 177.584 0.021 0.000 1.170 84 A CA 1.749 53.809 52.037 0.038 0.000 0.645 84 A CB 0.038 19.128 19.000 0.149 0.000 0.816 84 A HN 0.245 nan 8.150 nan 0.000 0.447 85 A N -3.160 119.674 122.820 0.023 0.000 2.498 85 A HA 0.480 4.789 4.320 -0.019 0.000 0.238 85 A C 1.530 179.124 177.584 0.017 0.000 1.225 85 A CA 0.974 53.024 52.037 0.022 0.000 0.978 85 A CB -0.058 18.969 19.000 0.045 0.000 1.142 85 A HN 1.814 nan 8.150 nan 0.000 0.552 86 G N -0.738 108.071 108.800 0.015 0.000 2.175 86 G HA2 -0.122 3.827 3.960 -0.019 0.000 0.244 86 G HA3 -0.122 3.827 3.960 -0.019 0.000 0.244 86 G C -0.151 174.795 174.900 0.077 0.000 0.982 86 G CA 0.672 45.809 45.100 0.062 0.000 0.641 86 G HN 0.994 nan 8.290 nan 0.000 0.527 87 D N -3.279 117.149 120.400 0.046 0.000 2.827 87 D HA 0.563 5.192 4.640 -0.019 0.000 0.336 87 D C 1.030 177.350 176.300 0.033 0.000 1.374 87 D CA 1.653 55.676 54.000 0.039 0.000 0.794 87 D CB 0.080 40.905 40.800 0.042 0.000 1.364 87 D HN 1.470 nan 8.370 nan 0.000 0.464 88 G N -0.801 108.017 108.800 0.029 0.000 2.194 88 G HA2 -0.291 3.658 3.960 -0.019 0.000 0.236 88 G HA3 -0.291 3.658 3.960 -0.019 0.000 0.236 88 G C 1.147 176.064 174.900 0.029 0.000 0.987 88 G CA 1.061 46.182 45.100 0.035 0.000 0.635 88 G HN 0.596 nan 8.290 nan 0.000 0.520 89 T N 1.178 115.740 114.554 0.013 0.000 2.622 89 T HA -0.132 4.206 4.350 -0.019 0.000 0.266 89 T C 2.551 177.255 174.700 0.007 0.000 1.047 89 T CA 2.596 64.695 62.100 -0.000 0.000 1.159 89 T CB -0.607 68.252 68.868 -0.014 0.000 0.863 89 T HN 0.468 nan 8.240 nan 0.000 0.422 90 T N 1.684 116.243 114.554 0.008 0.000 2.699 90 T HA -0.143 4.196 4.350 -0.019 0.000 0.268 90 T C 2.221 176.931 174.700 0.016 0.000 1.036 90 T CA 1.787 63.894 62.100 0.010 0.000 1.147 90 T CB -0.745 68.129 68.868 0.010 0.000 0.862 90 T HN 0.419 nan 8.240 nan 0.000 0.446 91 T N 1.840 116.407 114.554 0.021 0.000 2.746 91 T HA -0.011 4.328 4.350 -0.019 0.000 0.267 91 T C 2.405 177.124 174.700 0.032 0.000 1.039 91 T CA 1.134 63.250 62.100 0.026 0.000 1.142 91 T CB -0.552 68.333 68.868 0.029 0.000 0.866 91 T HN 0.447 nan 8.240 nan 0.000 0.444 92 A N 1.267 124.111 122.820 0.040 0.000 1.940 92 A HA -0.135 4.174 4.320 -0.019 0.000 0.219 92 A C 2.525 180.132 177.584 0.038 0.000 1.176 92 A CA 2.040 54.108 52.037 0.052 0.000 0.631 92 A CB -1.175 17.866 19.000 0.069 0.000 0.814 92 A HN 0.482 nan 8.150 nan 0.000 0.446 93 T N -0.564 114.005 114.554 0.025 0.000 2.821 93 T HA -0.081 4.258 4.350 -0.019 0.000 0.267 93 T C 1.842 176.554 174.700 0.020 0.000 1.046 93 T CA 1.456 63.568 62.100 0.019 0.000 1.139 93 T CB -0.298 68.577 68.868 0.012 0.000 0.871 93 T HN 0.169 nan 8.240 nan 0.000 0.454 94 V N 1.404 121.330 119.914 0.020 0.000 2.358 94 V HA -0.067 4.042 4.120 -0.019 0.000 0.246 94 V C 2.444 178.550 176.094 0.021 0.000 1.047 94 V CA 1.303 63.614 62.300 0.019 0.000 1.035 94 V CB -0.624 31.209 31.823 0.017 0.000 0.658 94 V HN 0.423 nan 8.190 nan 0.000 0.452 95 L N 0.098 121.337 121.223 0.025 0.000 2.017 95 L HA -0.159 4.170 4.340 -0.019 0.000 0.208 95 L C 2.790 179.675 176.870 0.026 0.000 1.073 95 L CA 1.666 56.521 54.840 0.026 0.000 0.745 95 L CB -0.891 41.187 42.059 0.032 0.000 0.894 95 L HN 0.350 nan 8.230 nan 0.000 0.432 96 A N -0.288 122.550 122.820 0.030 0.000 1.873 96 A HA -0.334 3.974 4.320 -0.019 0.000 0.218 96 A C 2.274 179.872 177.584 0.023 0.000 1.193 96 A CA 2.171 54.226 52.037 0.029 0.000 0.629 96 A CB -0.808 18.212 19.000 0.032 0.000 0.826 96 A HN 0.534 nan 8.150 nan 0.000 0.447 97 Q N -0.555 119.257 119.800 0.020 0.000 2.077 97 Q HA -0.211 4.118 4.340 -0.019 0.000 0.206 97 Q C 2.136 178.145 176.000 0.016 0.000 0.989 97 Q CA 2.188 58.001 55.803 0.017 0.000 0.853 97 Q CB -0.376 28.371 28.738 0.015 0.000 0.907 97 Q HN 0.612 nan 8.270 nan 0.000 0.418 98 A N 0.394 123.224 122.820 0.016 0.000 1.897 98 A HA -0.100 4.208 4.320 -0.019 0.000 0.215 98 A C 1.985 179.577 177.584 0.014 0.000 1.181 98 A CA 1.219 53.264 52.037 0.014 0.000 0.620 98 A CB -0.521 18.487 19.000 0.014 0.000 0.821 98 A HN 0.479 nan 8.150 nan 0.000 0.443 99 I N -0.456 120.123 120.570 0.016 0.000 2.252 99 I HA -0.238 3.921 4.170 -0.019 0.000 0.245 99 I C 2.269 178.395 176.117 0.014 0.000 1.102 99 I CA 1.213 62.522 61.300 0.015 0.000 1.385 99 I CB -0.304 37.706 38.000 0.017 0.000 1.064 99 I HN 0.271 nan 8.210 nan 0.000 0.414 100 I N 0.209 120.789 120.570 0.016 0.000 2.179 100 I HA -0.279 3.879 4.170 -0.019 0.000 0.242 100 I C 2.574 178.699 176.117 0.013 0.000 1.088 100 I CA 1.563 62.872 61.300 0.015 0.000 1.357 100 I CB -0.494 37.517 38.000 0.017 0.000 1.051 100 I HN 0.206 nan 8.210 nan 0.000 0.409 101 T N 0.199 114.761 114.554 0.012 0.000 2.652 101 T HA -0.178 4.161 4.350 -0.019 0.000 0.267 101 T C 1.805 176.510 174.700 0.009 0.000 1.039 101 T CA 1.426 63.532 62.100 0.010 0.000 1.153 101 T CB -0.155 68.719 68.868 0.010 0.000 0.863 101 T HN 0.316 nan 8.240 nan 0.000 0.428 102 E N 0.434 120.639 120.200 0.009 0.000 2.122 102 E HA 0.059 4.398 4.350 -0.019 0.000 0.190 102 E C 2.589 179.193 176.600 0.008 0.000 0.977 102 E CA 0.777 57.181 56.400 0.008 0.000 0.820 102 E CB -0.788 28.916 29.700 0.008 0.000 0.770 102 E HN 0.540 nan 8.360 nan 0.000 0.462 103 G N 2.012 110.817 108.800 0.009 0.000 2.476 103 G HA2 -0.260 3.689 3.960 -0.019 0.000 0.218 103 G HA3 -0.260 3.689 3.960 -0.019 0.000 0.218 103 G C 1.690 176.595 174.900 0.009 0.000 1.164 103 G CA 0.732 45.837 45.100 0.009 0.000 0.768 103 G HN 0.189 nan 8.290 nan 0.000 0.560 104 L N -0.345 120.884 121.223 0.009 0.000 2.275 104 L HA 0.035 4.364 4.340 -0.019 0.000 0.215 104 L C 2.791 179.665 176.870 0.006 0.000 1.119 104 L CA 0.910 55.754 54.840 0.008 0.000 0.790 104 L CB -0.194 41.869 42.059 0.007 0.000 0.919 104 L HN 0.200 nan 8.230 nan 0.000 0.443 105 K N 0.157 120.561 120.400 0.006 0.000 2.062 105 K HA -0.063 4.245 4.320 -0.019 0.000 0.205 105 K C 2.203 178.806 176.600 0.005 0.000 1.051 105 K CA 1.133 57.422 56.287 0.005 0.000 0.941 105 K CB -0.067 32.436 32.500 0.005 0.000 0.719 105 K HN 0.240 nan 8.250 nan 0.000 0.440 106 A N 0.296 123.119 122.820 0.005 0.000 1.969 106 A HA -0.086 4.223 4.320 -0.019 0.000 0.218 106 A C 2.161 179.748 177.584 0.005 0.000 1.169 106 A CA 1.254 53.294 52.037 0.005 0.000 0.635 106 A CB -0.499 18.505 19.000 0.005 0.000 0.810 106 A HN 0.117 nan 8.150 nan 0.000 0.445 107 V N -0.100 119.818 119.914 0.006 0.000 2.343 107 V HA -0.266 3.843 4.120 -0.019 0.000 0.247 107 V C 3.013 179.111 176.094 0.006 0.000 1.051 107 V CA 1.974 64.279 62.300 0.007 0.000 1.036 107 V CB -1.158 30.671 31.823 0.009 0.000 0.654 107 V HN 0.598 nan 8.190 nan 0.000 0.451 108 A N -0.215 122.608 122.820 0.005 0.000 2.015 108 A HA 0.049 4.358 4.320 -0.019 0.000 0.219 108 A C 2.206 179.792 177.584 0.003 0.000 1.163 108 A CA 1.536 53.575 52.037 0.003 0.000 0.646 108 A CB -0.505 18.497 19.000 0.003 0.000 0.806 108 A HN 0.584 nan 8.150 nan 0.000 0.448 109 A N -1.661 121.160 122.820 0.003 0.000 2.235 109 A HA 0.406 4.714 4.320 -0.019 0.000 0.208 109 A C 1.738 179.323 177.584 0.002 0.000 1.172 109 A CA 1.157 53.196 52.037 0.002 0.000 0.786 109 A CB -0.930 18.071 19.000 0.002 0.000 0.804 109 A HN 1.822 nan 8.150 nan 0.000 0.479 110 G N -1.441 107.361 108.800 0.003 0.000 2.141 110 G HA2 -0.256 3.693 3.960 -0.019 0.000 0.242 110 G HA3 -0.256 3.693 3.960 -0.019 0.000 0.242 110 G C 0.196 175.098 174.900 0.003 0.000 0.982 110 G CA 0.351 45.453 45.100 0.002 0.000 0.662 110 G HN 0.424 nan 8.290 nan 0.000 0.527 111 M N 0.313 119.915 119.600 0.004 0.000 2.226 111 M HA 0.219 4.688 4.480 -0.019 0.000 0.324 111 M C 0.768 177.071 176.300 0.005 0.000 1.112 111 M CA -0.470 54.833 55.300 0.004 0.000 1.176 111 M CB 0.320 32.923 32.600 0.004 0.000 1.430 111 M HN 0.144 nan 8.290 nan 0.000 0.462 112 N N 2.443 121.146 118.700 0.005 0.000 2.405 112 N HA 0.129 4.858 4.740 -0.019 0.000 0.260 112 N C -2.094 173.421 175.510 0.007 0.000 1.152 112 N CA -1.597 51.456 53.050 0.006 0.000 0.948 112 N CB 1.013 39.503 38.487 0.005 0.000 1.111 112 N HN 0.264 nan 8.380 nan 0.000 0.485 113 P HA -0.141 nan 4.420 nan 0.000 0.216 113 P C 1.576 178.882 177.300 0.010 0.000 1.150 113 P CA 1.325 64.432 63.100 0.011 0.000 0.843 113 P CB 0.235 31.943 31.700 0.014 0.000 0.787 114 M N -0.811 118.795 119.600 0.009 0.000 2.132 114 M HA -0.112 4.357 4.480 -0.019 0.000 0.263 114 M C 1.576 177.879 176.300 0.006 0.000 1.065 114 M CA 1.611 56.916 55.300 0.008 0.000 1.122 114 M CB -1.811 30.794 32.600 0.008 0.000 1.365 114 M HN -0.042 nan 8.290 nan 0.000 0.411 115 D N 0.473 120.876 120.400 0.006 0.000 2.097 115 D HA -0.123 4.505 4.640 -0.019 0.000 0.195 115 D C 2.169 178.472 176.300 0.005 0.000 0.989 115 D CA 0.950 54.953 54.000 0.004 0.000 0.827 115 D CB -0.234 40.568 40.800 0.004 0.000 0.966 115 D HN 0.119 nan 8.370 nan 0.000 0.456 116 L N 1.355 122.581 121.223 0.005 0.000 1.997 116 L HA -0.216 4.113 4.340 -0.019 0.000 0.216 116 L C 2.289 179.162 176.870 0.006 0.000 1.074 116 L CA 1.640 56.483 54.840 0.006 0.000 0.763 116 L CB -1.023 41.041 42.059 0.007 0.000 0.890 116 L HN 0.058 nan 8.230 nan 0.000 0.434 117 K N -0.832 119.572 120.400 0.006 0.000 2.057 117 K HA -0.209 4.100 4.320 -0.019 0.000 0.207 117 K C 2.324 178.926 176.600 0.003 0.000 1.049 117 K CA 1.337 57.628 56.287 0.006 0.000 0.931 117 K CB -0.002 32.502 32.500 0.007 0.000 0.714 117 K HN 0.095 nan 8.250 nan 0.000 0.440 118 R N -0.163 120.338 120.500 0.003 0.000 2.081 118 R HA -0.096 4.232 4.340 -0.019 0.000 0.235 118 R C 2.255 178.555 176.300 0.000 0.000 1.131 118 R CA 1.664 57.765 56.100 0.001 0.000 0.960 118 R CB -0.588 29.713 30.300 0.001 0.000 0.856 118 R HN 0.386 nan 8.270 nan 0.000 0.436 119 G N 1.066 109.867 108.800 0.002 0.000 2.545 119 G HA2 -0.308 3.641 3.960 -0.019 0.000 0.217 119 G HA3 -0.308 3.641 3.960 -0.019 0.000 0.217 119 G C 1.406 176.307 174.900 0.001 0.000 1.218 119 G CA 1.329 46.430 45.100 0.002 0.000 0.787 119 G HN 0.291 nan 8.290 nan 0.000 0.571 120 I N 1.128 121.699 120.570 0.002 0.000 2.151 120 I HA -0.202 3.957 4.170 -0.019 0.000 0.243 120 I C 2.379 178.496 176.117 -0.001 0.000 1.080 120 I CA 1.572 62.873 61.300 0.002 0.000 1.339 120 I CB -0.212 37.791 38.000 0.004 0.000 1.039 120 I HN 0.086 nan 8.210 nan 0.000 0.409 121 D N 0.480 120.879 120.400 -0.003 0.000 2.144 121 D HA -0.210 4.419 4.640 -0.019 0.000 0.199 121 D C 2.086 178.382 176.300 -0.008 0.000 0.984 121 D CA 1.176 55.172 54.000 -0.007 0.000 0.834 121 D CB -0.207 40.588 40.800 -0.008 0.000 0.955 121 D HN 0.332 nan 8.370 nan 0.000 0.465 122 K N 0.650 121.047 120.400 -0.005 0.000 2.057 122 K HA -0.039 4.270 4.320 -0.019 0.000 0.206 122 K C 2.042 178.640 176.600 -0.004 0.000 1.050 122 K CA 1.095 57.380 56.287 -0.004 0.000 0.935 122 K CB -0.011 32.487 32.500 -0.002 0.000 0.715 122 K HN -0.001 nan 8.250 nan 0.000 0.439 123 A N 0.715 123.534 122.820 -0.002 0.000 1.908 123 A HA -0.134 4.175 4.320 -0.019 0.000 0.218 123 A C 2.220 179.803 177.584 -0.002 0.000 1.181 123 A CA 1.797 53.834 52.037 -0.000 0.000 0.627 123 A CB -0.715 18.286 19.000 0.002 0.000 0.818 123 A HN 0.182 nan 8.150 nan 0.000 0.445 124 V N -0.410 119.501 119.914 -0.006 0.000 2.343 124 V HA -0.228 3.881 4.120 -0.019 0.000 0.247 124 V C 2.725 178.810 176.094 -0.015 0.000 1.051 124 V CA 2.430 64.723 62.300 -0.011 0.000 1.036 124 V CB -1.344 30.469 31.823 -0.017 0.000 0.654 124 V HN 0.610 nan 8.190 nan 0.000 0.451 125 T N 0.157 114.702 114.554 -0.015 0.000 2.635 125 T HA -0.211 4.128 4.350 -0.019 0.000 0.267 125 T C 1.917 176.611 174.700 -0.010 0.000 1.040 125 T CA 1.951 64.042 62.100 -0.015 0.000 1.156 125 T CB -0.311 68.549 68.868 -0.013 0.000 0.863 125 T HN 0.285 nan 8.240 nan 0.000 0.430 126 V N 1.423 121.334 119.914 -0.006 0.000 2.379 126 V HA -0.093 4.016 4.120 -0.019 0.000 0.245 126 V C 2.844 178.938 176.094 -0.001 0.000 1.044 126 V CA 1.451 63.749 62.300 -0.002 0.000 1.036 126 V CB -1.162 30.661 31.823 -0.000 0.000 0.664 126 V HN 0.533 nan 8.190 nan 0.000 0.453 127 A N -0.237 122.583 122.820 -0.000 0.000 1.940 127 A HA -0.182 4.127 4.320 -0.019 0.000 0.219 127 A C 2.388 179.973 177.584 0.001 0.000 1.176 127 A CA 2.168 54.206 52.037 0.002 0.000 0.631 127 A CB -0.633 18.369 19.000 0.003 0.000 0.814 127 A HN 0.347 nan 8.150 nan 0.000 0.446 128 V N -0.029 119.882 119.914 -0.005 0.000 2.453 128 V HA -0.235 3.874 4.120 -0.019 0.000 0.247 128 V C 2.344 178.436 176.094 -0.004 0.000 1.048 128 V CA 2.168 64.463 62.300 -0.007 0.000 1.049 128 V CB -0.777 31.035 31.823 -0.017 0.000 0.672 128 V HN 0.672 nan 8.190 nan 0.000 0.457 129 E N -0.283 119.915 120.200 -0.003 0.000 2.118 129 E HA -0.221 4.118 4.350 -0.019 0.000 0.195 129 E C 2.228 178.830 176.600 0.003 0.000 0.992 129 E CA 1.229 57.629 56.400 -0.001 0.000 0.804 129 E CB -0.116 29.584 29.700 -0.001 0.000 0.741 129 E HN 0.569 nan 8.360 nan 0.000 0.458 130 E N 0.661 120.864 120.200 0.005 0.000 2.106 130 E HA -0.120 4.219 4.350 -0.019 0.000 0.192 130 E C 2.240 178.846 176.600 0.011 0.000 0.984 130 E CA 0.559 56.965 56.400 0.009 0.000 0.806 130 E CB -0.092 29.615 29.700 0.011 0.000 0.750 130 E HN 0.342 nan 8.360 nan 0.000 0.458 131 L N 0.569 121.797 121.223 0.009 0.000 2.083 131 L HA -0.168 4.161 4.340 -0.019 0.000 0.209 131 L C 2.591 179.468 176.870 0.010 0.000 1.083 131 L CA 1.132 55.978 54.840 0.011 0.000 0.752 131 L CB -0.201 41.864 42.059 0.009 0.000 0.899 131 L HN 0.053 nan 8.230 nan 0.000 0.433 132 K N -0.206 120.199 120.400 0.007 0.000 2.155 132 K HA -0.079 4.230 4.320 -0.019 0.000 0.203 132 K C 2.018 178.623 176.600 0.008 0.000 1.052 132 K CA 1.058 57.349 56.287 0.007 0.000 0.948 132 K CB 0.039 32.541 32.500 0.004 0.000 0.728 132 K HN 0.257 nan 8.250 nan 0.000 0.448 133 A N 0.323 123.148 122.820 0.009 0.000 2.016 133 A HA -0.029 4.280 4.320 -0.019 0.000 0.217 133 A C 1.820 179.412 177.584 0.013 0.000 1.162 133 A CA 0.635 52.678 52.037 0.010 0.000 0.662 133 A CB -0.245 18.761 19.000 0.010 0.000 0.812 133 A HN 0.296 nan 8.150 nan 0.000 0.450 134 L N -0.301 120.932 121.223 0.016 0.000 2.291 134 L HA 0.126 4.455 4.340 -0.019 0.000 0.214 134 L C 1.320 178.202 176.870 0.019 0.000 1.120 134 L CA 0.816 55.668 54.840 0.020 0.000 0.799 134 L CB -0.362 41.711 42.059 0.023 0.000 0.925 134 L HN 0.250 nan 8.230 nan 0.000 0.446 135 S N -0.877 114.832 115.700 0.016 0.000 2.549 135 S HA 0.269 4.728 4.470 -0.019 0.000 0.279 135 S C -0.221 174.387 174.600 0.014 0.000 1.321 135 S CA -0.608 57.601 58.200 0.015 0.000 1.054 135 S CB 0.473 63.681 63.200 0.012 0.000 0.899 135 S HN 0.009 nan 8.310 nan 0.000 0.497 136 V N 8.393 128.316 119.914 0.014 0.000 2.439 136 V HA 0.421 4.530 4.120 -0.019 0.000 0.282 136 V C -1.812 174.289 176.094 0.011 0.000 1.039 136 V CA -1.807 60.501 62.300 0.013 0.000 0.913 136 V CB 1.297 33.128 31.823 0.014 0.000 0.983 136 V HN 0.786 nan 8.190 nan 0.000 0.460 137 P HA 0.098 nan 4.420 nan 0.000 0.272 137 P C -0.519 176.786 177.300 0.009 0.000 1.223 137 P CA -0.233 62.872 63.100 0.009 0.000 0.784 137 P CB 0.805 32.510 31.700 0.008 0.000 0.923 138 C N 2.560 121.865 119.300 0.009 0.000 3.188 138 C HA 0.446 4.895 4.460 -0.019 0.000 0.230 138 C C 1.025 176.019 174.990 0.008 0.000 1.239 138 C CA 0.173 59.196 59.018 0.009 0.000 1.494 138 C CB -1.477 26.269 27.740 0.010 0.000 1.798 138 C HN 0.619 nan 8.230 nan 0.000 0.458 139 S N 0.667 116.371 115.700 0.007 0.000 2.733 139 S HA 0.245 4.704 4.470 -0.019 0.000 0.247 139 S C -0.097 174.506 174.600 0.005 0.000 1.043 139 S CA -0.224 57.979 58.200 0.006 0.000 1.066 139 S CB -0.100 63.103 63.200 0.006 0.000 1.045 139 S HN 0.866 nan 8.310 nan 0.000 0.586 140 D N 0.491 120.894 120.400 0.005 0.000 2.414 140 D HA 0.413 5.041 4.640 -0.019 0.000 0.241 140 D C 0.526 176.829 176.300 0.005 0.000 1.008 140 D CA -0.671 53.332 54.000 0.005 0.000 1.001 140 D CB 1.562 42.365 40.800 0.004 0.000 1.277 140 D HN -0.074 nan 8.370 nan 0.000 0.538 141 S N -0.237 115.465 115.700 0.004 0.000 2.374 141 S HA -0.185 4.274 4.470 -0.019 0.000 0.227 141 S C 1.578 176.181 174.600 0.004 0.000 1.037 141 S CA 1.378 59.580 58.200 0.004 0.000 1.024 141 S CB -0.186 63.016 63.200 0.003 0.000 0.861 141 S HN 0.424 nan 8.310 nan 0.000 0.456 142 K N 2.247 122.649 120.400 0.004 0.000 2.032 142 K HA 0.044 4.352 4.320 -0.019 0.000 0.209 142 K C 2.114 178.716 176.600 0.004 0.000 1.048 142 K CA 1.542 57.831 56.287 0.003 0.000 0.927 142 K CB -1.463 31.039 32.500 0.003 0.000 0.712 142 K HN 0.364 nan 8.250 nan 0.000 0.441 143 A N 1.061 123.884 122.820 0.005 0.000 1.933 143 A HA -0.069 4.240 4.320 -0.019 0.000 0.218 143 A C 2.376 179.964 177.584 0.006 0.000 1.175 143 A CA 1.321 53.361 52.037 0.006 0.000 0.628 143 A CB -0.674 18.330 19.000 0.006 0.000 0.814 143 A HN 0.242 nan 8.150 nan 0.000 0.444 144 I N -0.396 120.178 120.570 0.006 0.000 2.202 144 I HA -0.253 3.906 4.170 -0.019 0.000 0.242 144 I C 2.992 179.112 176.117 0.006 0.000 1.091 144 I CA 0.992 62.296 61.300 0.007 0.000 1.368 144 I CB -0.333 37.672 38.000 0.007 0.000 1.058 144 I HN 0.350 nan 8.210 nan 0.000 0.410 145 A N 0.006 122.829 122.820 0.004 0.000 1.908 145 A HA -0.298 4.011 4.320 -0.019 0.000 0.218 145 A C 2.260 179.845 177.584 0.002 0.000 1.181 145 A CA 1.827 53.866 52.037 0.003 0.000 0.627 145 A CB -0.700 18.301 19.000 0.002 0.000 0.818 145 A HN 0.458 nan 8.150 nan 0.000 0.445 146 Q N -0.733 119.068 119.800 0.003 0.000 2.020 146 Q HA -0.127 4.202 4.340 -0.019 0.000 0.202 146 Q C 2.173 178.174 176.000 0.002 0.000 0.982 146 Q CA 1.891 57.695 55.803 0.002 0.000 0.838 146 Q CB -0.287 28.452 28.738 0.003 0.000 0.899 146 Q HN 0.476 nan 8.270 nan 0.000 0.423 147 V N 0.033 119.950 119.914 0.004 0.000 2.343 147 V HA -0.230 3.878 4.120 -0.019 0.000 0.247 147 V C 2.152 178.249 176.094 0.005 0.000 1.051 147 V CA 1.941 64.245 62.300 0.006 0.000 1.036 147 V CB -1.137 30.692 31.823 0.009 0.000 0.654 147 V HN 0.581 nan 8.190 nan 0.000 0.451 148 G N -0.257 108.546 108.800 0.005 0.000 2.418 148 G HA2 -0.317 3.632 3.960 -0.019 0.000 0.217 148 G HA3 -0.317 3.632 3.960 -0.019 0.000 0.217 148 G C 1.818 176.717 174.900 -0.001 0.000 1.158 148 G CA 1.656 46.759 45.100 0.004 0.000 0.771 148 G HN 0.541 nan 8.290 nan 0.000 0.545 149 T N -0.540 114.013 114.554 -0.002 0.000 2.951 149 T HA 0.070 4.409 4.350 -0.019 0.000 0.268 149 T C 2.396 177.092 174.700 -0.007 0.000 1.073 149 T CA 0.923 63.020 62.100 -0.005 0.000 1.134 149 T CB -0.210 68.655 68.868 -0.005 0.000 0.884 149 T HN 0.227 nan 8.240 nan 0.000 0.479 150 I N 1.659 122.226 120.570 -0.005 0.000 2.252 150 I HA -0.091 4.068 4.170 -0.019 0.000 0.245 150 I C 2.661 178.773 176.117 -0.008 0.000 1.102 150 I CA 1.268 62.564 61.300 -0.007 0.000 1.385 150 I CB -0.180 37.816 38.000 -0.006 0.000 1.064 150 I HN 0.276 nan 8.210 nan 0.000 0.414 151 S N 0.655 116.352 115.700 -0.005 0.000 2.515 151 S HA 0.093 4.551 4.470 -0.019 0.000 0.231 151 S C 1.579 176.172 174.600 -0.012 0.000 0.987 151 S CA 0.732 58.928 58.200 -0.007 0.000 0.936 151 S CB -0.077 63.123 63.200 -0.001 0.000 0.766 151 S HN 0.457 nan 8.310 nan 0.000 0.528 152 A N 1.650 124.462 122.820 -0.013 0.000 2.577 152 A HA 0.358 4.667 4.320 -0.019 0.000 0.280 152 A C 0.638 178.212 177.584 -0.016 0.000 1.331 152 A CA -0.506 51.521 52.037 -0.016 0.000 0.935 152 A CB -0.575 18.416 19.000 -0.015 0.000 1.082 152 A HN 0.415 nan 8.150 nan 0.000 0.525 153 N N 0.215 118.906 118.700 -0.015 0.000 2.756 153 N HA -0.201 4.527 4.740 -0.019 0.000 0.248 153 N C 0.086 175.587 175.510 -0.015 0.000 1.062 153 N CA 0.880 53.920 53.050 -0.016 0.000 0.696 153 N CB -1.038 37.439 38.487 -0.017 0.000 0.946 153 N HN 0.503 nan 8.380 nan 0.000 0.548 154 S N -1.228 114.464 115.700 -0.013 0.000 3.382 154 S HA -0.214 4.245 4.470 -0.019 0.000 0.293 154 S C -0.260 174.334 174.600 -0.010 0.000 1.262 154 S CA 1.123 59.315 58.200 -0.012 0.000 0.969 154 S CB -0.741 62.451 63.200 -0.013 0.000 1.136 154 S HN 0.718 nan 8.310 nan 0.000 0.635 155 D N 1.737 122.131 120.400 -0.010 0.000 2.393 155 D HA 0.339 4.968 4.640 -0.019 0.000 0.232 155 D C 1.131 177.427 176.300 -0.008 0.000 1.192 155 D CA -0.283 53.711 54.000 -0.009 0.000 0.882 155 D CB 0.714 41.507 40.800 -0.011 0.000 1.038 155 D HN 0.610 nan 8.370 nan 0.000 0.499 156 E N 1.125 121.321 120.200 -0.007 0.000 2.265 156 E HA -0.181 4.157 4.350 -0.019 0.000 0.196 156 E C 1.270 177.868 176.600 -0.005 0.000 0.996 156 E CA 1.223 57.620 56.400 -0.005 0.000 0.832 156 E CB -0.239 29.459 29.700 -0.004 0.000 0.756 156 E HN 0.302 nan 8.360 nan 0.000 0.491 157 T N 0.459 115.010 114.554 -0.005 0.000 2.746 157 T HA -0.110 4.229 4.350 -0.019 0.000 0.267 157 T C 1.951 176.648 174.700 -0.005 0.000 1.039 157 T CA 1.380 63.477 62.100 -0.005 0.000 1.142 157 T CB -0.278 68.586 68.868 -0.006 0.000 0.866 157 T HN 0.069 nan 8.240 nan 0.000 0.444 158 V N 1.417 121.327 119.914 -0.007 0.000 2.358 158 V HA -0.067 4.042 4.120 -0.019 0.000 0.246 158 V C 2.869 178.960 176.094 -0.004 0.000 1.047 158 V CA 1.857 64.153 62.300 -0.007 0.000 1.035 158 V CB -1.380 30.437 31.823 -0.011 0.000 0.658 158 V HN 0.589 nan 8.190 nan 0.000 0.452 159 G N -0.460 108.337 108.800 -0.003 0.000 2.446 159 G HA2 -0.312 3.637 3.960 -0.019 0.000 0.217 159 G HA3 -0.312 3.637 3.960 -0.019 0.000 0.217 159 G C 1.671 176.571 174.900 0.000 0.000 1.168 159 G CA 1.132 46.231 45.100 -0.001 0.000 0.771 159 G HN 0.443 nan 8.290 nan 0.000 0.551 160 K N -0.334 120.065 120.400 -0.001 0.000 2.032 160 K HA -0.002 4.307 4.320 -0.019 0.000 0.209 160 K C 2.602 179.202 176.600 0.000 0.000 1.048 160 K CA 1.044 57.331 56.287 -0.000 0.000 0.927 160 K CB -0.294 32.205 32.500 -0.001 0.000 0.712 160 K HN 0.298 nan 8.250 nan 0.000 0.441 161 L N 0.872 122.095 121.223 -0.001 0.000 1.989 161 L HA -0.255 4.074 4.340 -0.019 0.000 0.211 161 L C 2.314 179.185 176.870 0.002 0.000 1.071 161 L CA 0.958 55.798 54.840 -0.000 0.000 0.749 161 L CB -0.526 41.532 42.059 -0.002 0.000 0.890 161 L HN 0.229 nan 8.230 nan 0.000 0.431 162 I N 0.255 120.828 120.570 0.004 0.000 2.118 162 I HA -0.325 3.834 4.170 -0.019 0.000 0.241 162 I C 2.867 178.988 176.117 0.007 0.000 1.070 162 I CA 1.825 63.130 61.300 0.008 0.000 1.327 162 I CB -1.562 36.444 38.000 0.010 0.000 1.034 162 I HN 0.243 nan 8.210 nan 0.000 0.405 163 A N 0.452 123.276 122.820 0.005 0.000 1.908 163 A HA -0.233 4.076 4.320 -0.019 0.000 0.218 163 A C 2.302 179.888 177.584 0.004 0.000 1.181 163 A CA 1.831 53.871 52.037 0.005 0.000 0.627 163 A CB -0.708 18.294 19.000 0.004 0.000 0.818 163 A HN 0.489 nan 8.150 nan 0.000 0.445 164 E N -0.504 119.697 120.200 0.003 0.000 2.051 164 E HA -0.122 4.217 4.350 -0.019 0.000 0.192 164 E C 2.348 178.950 176.600 0.003 0.000 0.991 164 E CA 1.012 57.414 56.400 0.002 0.000 0.799 164 E CB -0.275 29.426 29.700 0.001 0.000 0.748 164 E HN 0.621 nan 8.360 nan 0.000 0.449 165 A N 0.675 123.497 122.820 0.004 0.000 1.902 165 A HA -0.191 4.117 4.320 -0.019 0.000 0.217 165 A C 2.104 179.692 177.584 0.005 0.000 1.181 165 A CA 1.380 53.420 52.037 0.005 0.000 0.623 165 A CB -0.401 18.604 19.000 0.007 0.000 0.818 165 A HN 0.189 nan 8.150 nan 0.000 0.443 166 M N -1.098 118.506 119.600 0.006 0.000 2.319 166 M HA -0.122 4.347 4.480 -0.019 0.000 0.265 166 M C 1.740 178.043 176.300 0.004 0.000 1.068 166 M CA 1.774 57.077 55.300 0.006 0.000 1.118 166 M CB -0.150 32.455 32.600 0.008 0.000 1.395 166 M HN 0.565 nan 8.290 nan 0.000 0.435 167 D N 0.043 120.445 120.400 0.004 0.000 2.149 167 D HA -0.160 4.469 4.640 -0.019 0.000 0.201 167 D C 1.838 178.139 176.300 0.002 0.000 0.972 167 D CA 1.226 55.227 54.000 0.003 0.000 0.835 167 D CB 0.217 41.018 40.800 0.002 0.000 0.966 167 D HN 0.042 nan 8.370 nan 0.000 0.476 168 K N -0.988 119.413 120.400 0.002 0.000 2.217 168 K HA 0.057 4.366 4.320 -0.019 0.000 0.202 168 K C 1.139 177.740 176.600 0.002 0.000 1.051 168 K CA 0.580 56.868 56.287 0.002 0.000 0.952 168 K CB 0.304 32.804 32.500 0.002 0.000 0.736 168 K HN 0.065 nan 8.250 nan 0.000 0.453 169 V N -1.028 118.887 119.914 0.002 0.000 3.392 169 V HA 0.331 4.440 4.120 -0.019 0.000 0.294 169 V C -0.518 175.577 176.094 0.002 0.000 1.561 169 V CA 0.451 62.752 62.300 0.002 0.000 1.056 169 V CB 0.737 32.561 31.823 0.003 0.000 0.882 169 V HN 0.423 nan 8.190 nan 0.000 0.440 170 G N 0.837 109.638 108.800 0.002 0.000 2.697 170 G HA2 -0.148 3.801 3.960 -0.019 0.000 0.686 170 G HA3 -0.148 3.801 3.960 -0.019 0.000 0.686 170 G C 0.022 174.924 174.900 0.003 0.000 1.179 170 G CA 0.006 45.107 45.100 0.002 0.000 0.765 170 G HN 0.248 nan 8.290 nan 0.000 0.649 171 K N 0.190 120.592 120.400 0.003 0.000 2.097 171 K HA -0.064 4.245 4.320 -0.019 0.000 0.206 171 K C 1.780 178.381 176.600 0.002 0.000 1.049 171 K CA 1.681 57.971 56.287 0.004 0.000 0.933 171 K CB 0.033 32.536 32.500 0.004 0.000 0.717 171 K HN 0.373 nan 8.250 nan 0.000 0.442 172 E N 0.363 120.564 120.200 0.001 0.000 2.489 172 E HA 0.058 4.397 4.350 -0.019 0.000 0.193 172 E C 0.620 177.219 176.600 -0.002 0.000 1.057 172 E CA 0.002 56.401 56.400 -0.002 0.000 0.866 172 E CB -0.067 29.632 29.700 -0.001 0.000 0.916 172 E HN 0.306 nan 8.360 nan 0.000 0.500 173 G N 0.186 108.986 108.800 -0.000 0.000 2.651 173 G HA2 0.212 4.161 3.960 -0.019 0.000 0.260 173 G HA3 0.212 4.161 3.960 -0.019 0.000 0.260 173 G C -0.433 174.466 174.900 -0.001 0.000 1.216 173 G CA -0.320 44.781 45.100 0.000 0.000 0.913 173 G HN 0.137 nan 8.290 nan 0.000 0.535 174 V N 0.547 120.461 119.914 -0.000 0.000 2.407 174 V HA 0.678 4.786 4.120 -0.019 0.000 0.278 174 V C -0.337 175.758 176.094 0.002 0.000 1.037 174 V CA -0.723 61.575 62.300 -0.003 0.000 0.900 174 V CB 0.345 32.163 31.823 -0.007 0.000 0.983 174 V HN 0.455 nan 8.190 nan 0.000 0.459 175 I N 6.672 127.246 120.570 0.006 0.000 2.466 175 I HA 0.538 4.697 4.170 -0.019 0.000 0.289 175 I C 0.233 176.361 176.117 0.019 0.000 1.026 175 I CA -0.356 60.952 61.300 0.013 0.000 1.078 175 I CB 2.382 40.394 38.000 0.019 0.000 1.249 175 I HN 0.784 nan 8.210 nan 0.000 0.429 176 T N 2.556 117.119 114.554 0.014 0.000 2.927 176 T HA 0.800 5.139 4.350 -0.019 0.000 0.286 176 T C -0.487 174.220 174.700 0.012 0.000 1.040 176 T CA -0.846 61.264 62.100 0.017 0.000 1.010 176 T CB 2.215 71.087 68.868 0.008 0.000 1.177 176 T HN 0.197 nan 8.240 nan 0.000 0.546 177 V N 0.963 120.882 119.914 0.009 0.000 2.588 177 V HA 0.594 4.702 4.120 -0.019 0.000 0.304 177 V C -0.428 175.664 176.094 -0.003 0.000 1.042 177 V CA -0.780 61.520 62.300 0.000 0.000 0.877 177 V CB 1.415 33.233 31.823 -0.008 0.000 0.996 177 V HN 0.994 nan 8.190 nan 0.000 0.425 178 E N 1.295 121.492 120.200 -0.005 0.000 2.410 178 E HA 0.430 4.769 4.350 -0.019 0.000 0.269 178 E C -1.495 175.101 176.600 -0.008 0.000 0.937 178 E CA -1.143 55.253 56.400 -0.007 0.000 0.793 178 E CB 1.565 31.261 29.700 -0.006 0.000 1.314 178 E HN 0.628 nan 8.360 nan 0.000 0.447 179 D N 0.859 121.254 120.400 -0.008 0.000 2.506 179 D HA 0.140 4.769 4.640 -0.019 0.000 0.234 179 D C 0.223 176.519 176.300 -0.007 0.000 1.143 179 D CA 0.512 54.508 54.000 -0.007 0.000 0.871 179 D CB 0.625 41.421 40.800 -0.007 0.000 1.190 179 D HN 0.487 nan 8.370 nan 0.000 0.459 180 G N -0.302 108.494 108.800 -0.007 0.000 2.543 180 G HA2 0.379 4.327 3.960 -0.019 0.000 0.290 180 G HA3 0.379 4.327 3.960 -0.019 0.000 0.290 180 G C 0.767 175.664 174.900 -0.005 0.000 1.310 180 G CA -0.112 44.985 45.100 -0.006 0.000 1.025 180 G HN 0.474 nan 8.290 nan 0.000 0.502 181 T N -3.834 110.717 114.554 -0.005 0.000 2.975 181 T HA 0.524 4.863 4.350 -0.019 0.000 0.257 181 T C 0.942 175.640 174.700 -0.004 0.000 1.003 181 T CA 0.765 62.862 62.100 -0.005 0.000 0.932 181 T CB 0.609 69.474 68.868 -0.005 0.000 1.087 181 T HN 1.198 nan 8.240 nan 0.000 0.512 182 G N 0.949 109.746 108.800 -0.004 0.000 2.635 182 G HA2 0.452 4.401 3.960 -0.019 0.000 0.194 182 G HA3 0.452 4.401 3.960 -0.019 0.000 0.194 182 G C -0.210 174.688 174.900 -0.004 0.000 1.198 182 G CA -0.128 44.970 45.100 -0.004 0.000 0.972 182 G HN 0.107 nan 8.290 nan 0.000 0.520 183 L N 0.052 121.273 121.223 -0.004 0.000 2.131 183 L HA 0.320 4.649 4.340 -0.019 0.000 0.206 183 L C 1.067 177.935 176.870 -0.004 0.000 1.087 183 L CA 1.333 56.171 54.840 -0.004 0.000 0.767 183 L CB -0.477 41.580 42.059 -0.003 0.000 0.917 183 L HN 0.347 nan 8.230 nan 0.000 0.441 184 Q N 1.486 121.284 119.800 -0.004 0.000 2.327 184 Q HA 0.112 4.441 4.340 -0.019 0.000 0.254 184 Q C -0.696 175.302 176.000 -0.004 0.000 0.952 184 Q CA -0.138 55.663 55.803 -0.004 0.000 0.884 184 Q CB 0.530 29.267 28.738 -0.003 0.000 1.224 184 Q HN 0.284 nan 8.270 nan 0.000 0.422 185 D N 2.099 122.497 120.400 -0.004 0.000 2.372 185 D HA 0.136 4.764 4.640 -0.019 0.000 0.243 185 D C 0.064 176.362 176.300 -0.004 0.000 1.121 185 D CA 0.233 54.230 54.000 -0.004 0.000 0.898 185 D CB 1.018 41.815 40.800 -0.004 0.000 1.202 185 D HN 0.324 nan 8.370 nan 0.000 0.428 186 E N 0.551 120.749 120.200 -0.004 0.000 2.336 186 E HA 0.596 4.935 4.350 -0.019 0.000 0.267 186 E C -0.926 175.673 176.600 -0.003 0.000 0.906 186 E CA -1.088 55.310 56.400 -0.003 0.000 0.781 186 E CB 2.615 32.313 29.700 -0.003 0.000 1.261 186 E HN 0.099 nan 8.360 nan 0.000 0.436 187 L N 1.999 123.221 121.223 -0.002 0.000 2.439 187 L HA 0.420 4.749 4.340 -0.019 0.000 0.270 187 L C -1.998 174.871 176.870 -0.001 0.000 0.972 187 L CA -0.247 54.592 54.840 -0.001 0.000 0.836 187 L CB 1.490 43.549 42.059 -0.001 0.000 1.255 187 L HN 0.596 nan 8.230 nan 0.000 0.404 188 D N 3.620 124.019 120.400 -0.002 0.000 2.596 188 D HA 0.523 5.152 4.640 -0.019 0.000 0.234 188 D C -1.253 175.046 176.300 -0.001 0.000 1.181 188 D CA -0.524 53.475 54.000 -0.002 0.000 0.856 188 D CB 2.022 42.820 40.800 -0.002 0.000 1.498 188 D HN 0.264 nan 8.370 nan 0.000 0.446 189 V N 0.390 120.304 119.914 -0.001 0.000 2.483 189 V HA 0.644 4.753 4.120 -0.019 0.000 0.295 189 V C -0.105 175.989 176.094 -0.001 0.000 1.035 189 V CA -0.691 61.609 62.300 -0.000 0.000 0.896 189 V CB 1.611 33.434 31.823 0.000 0.000 0.986 189 V HN 0.557 nan 8.190 nan 0.000 0.447 190 V N 2.694 122.608 119.914 -0.000 0.000 3.102 190 V HA 0.522 4.630 4.120 -0.019 0.000 0.312 190 V C -0.529 175.565 176.094 0.001 0.000 1.135 190 V CA -0.786 61.514 62.300 -0.001 0.000 1.022 190 V CB 2.654 34.476 31.823 -0.003 0.000 1.056 190 V HN 0.884 nan 8.190 nan 0.000 0.436 191 E N 1.890 122.091 120.200 0.002 0.000 2.360 191 E HA 0.562 4.900 4.350 -0.019 0.000 0.269 191 E C 0.226 176.831 176.600 0.008 0.000 1.022 191 E CA 0.547 56.950 56.400 0.005 0.000 0.887 191 E CB 1.153 30.855 29.700 0.005 0.000 0.990 191 E HN 1.005 nan 8.360 nan 0.000 0.426 192 G N 0.877 109.686 108.800 0.015 0.000 2.320 192 G HA2 0.463 4.412 3.960 -0.019 0.000 0.296 192 G HA3 0.463 4.412 3.960 -0.019 0.000 0.296 192 G C -1.369 173.550 174.900 0.032 0.000 1.306 192 G CA -0.721 44.392 45.100 0.021 0.000 0.836 192 G HN 0.406 nan 8.290 nan 0.000 0.517 193 M N 0.072 119.698 119.600 0.043 0.000 2.484 193 M HA 0.493 4.962 4.480 -0.019 0.000 0.292 193 M C -2.081 174.258 176.300 0.066 0.000 1.123 193 M CA -0.569 54.774 55.300 0.072 0.000 0.910 193 M CB 2.339 35.012 32.600 0.121 0.000 1.782 193 M HN 0.807 nan 8.290 nan 0.000 0.512 194 Q N 3.883 123.720 119.800 0.062 0.000 2.337 194 Q HA 0.752 5.081 4.340 -0.019 0.000 0.270 194 Q C -2.080 173.969 176.000 0.081 0.000 1.043 194 Q CA -0.672 55.124 55.803 -0.011 0.000 0.794 194 Q CB 1.893 30.602 28.738 -0.049 0.000 1.281 194 Q HN 0.565 nan 8.270 nan 0.000 0.446 195 F N -0.255 119.686 119.950 -0.015 0.000 2.603 195 F HA 0.543 5.059 4.527 -0.019 0.000 0.317 195 F C -0.861 174.928 175.800 -0.018 0.000 1.066 195 F CA -1.276 56.715 58.000 -0.015 0.000 0.941 195 F CB 1.172 40.166 39.000 -0.011 0.000 1.291 195 F HN 0.386 nan 8.300 nan 0.000 0.472 196 D N 1.989 122.506 120.400 0.194 0.000 2.845 196 D HA 0.253 4.881 4.640 -0.019 0.000 0.235 196 D C -0.557 175.792 176.300 0.082 0.000 1.158 196 D CA 0.007 54.046 54.000 0.066 0.000 0.990 196 D CB -0.057 40.778 40.800 0.059 0.000 1.094 196 D HN 0.209 nan 8.370 nan 0.000 0.486 197 R N 0.664 121.181 120.500 0.028 0.000 2.574 197 R HA 0.587 4.915 4.340 -0.019 0.000 0.288 197 R C 0.309 176.553 176.300 -0.093 0.000 1.004 197 R CA -0.763 55.370 56.100 0.054 0.000 0.895 197 R CB 1.872 32.343 30.300 0.285 0.000 1.191 197 R HN 0.284 nan 8.270 nan 0.000 0.444 198 G N 1.165 109.888 108.800 -0.129 0.000 2.537 198 G HA2 0.372 4.321 3.960 -0.019 0.000 0.297 198 G HA3 0.372 4.321 3.960 -0.019 0.000 0.297 198 G C -0.546 174.263 174.900 -0.150 0.000 1.310 198 G CA -0.477 44.461 45.100 -0.270 0.000 1.027 198 G HN 0.466 nan 8.290 nan 0.000 0.505 199 Y N -1.294 119.031 120.300 0.041 0.000 2.578 199 Y HA 0.296 4.835 4.550 -0.019 0.000 0.339 199 Y C 1.235 177.227 175.900 0.154 0.000 1.231 199 Y CA -0.945 57.221 58.100 0.109 0.000 1.461 199 Y CB 0.380 38.949 38.460 0.182 0.000 1.323 199 Y HN 0.191 nan 8.280 nan 0.000 0.590 200 L N 1.594 123.104 121.223 0.479 0.000 2.341 200 L HA 0.053 4.382 4.340 -0.019 0.000 0.214 200 L C 0.753 177.848 176.870 0.374 0.000 1.115 200 L CA 1.027 56.091 54.840 0.373 0.000 0.820 200 L CB -0.112 42.130 42.059 0.305 0.000 0.944 200 L HN 0.847 nan 8.230 nan 0.000 0.452 201 S N -2.299 113.658 115.700 0.428 0.000 2.546 201 S HA 0.404 4.863 4.470 -0.019 0.000 0.274 201 S C -2.306 172.167 174.600 -0.212 0.000 1.121 201 S CA -1.273 56.969 58.200 0.070 0.000 0.887 201 S CB 1.826 64.965 63.200 -0.102 0.000 1.094 201 S HN -0.257 nan 8.310 nan 0.000 0.474 202 P HA -0.072 nan 4.420 nan 0.000 0.222 202 P C 0.391 177.244 177.300 -0.745 0.000 1.142 202 P CA 1.157 63.795 63.100 -0.769 0.000 0.788 202 P CB -0.206 31.120 31.700 -0.624 0.000 0.767 203 Y N -2.613 117.408 120.300 -0.465 0.000 2.457 203 Y HA 0.011 4.550 4.550 -0.019 0.000 0.292 203 Y C 1.861 177.529 175.900 -0.387 0.000 1.125 203 Y CA 0.519 58.364 58.100 -0.425 0.000 1.254 203 Y CB -1.245 36.954 38.460 -0.434 0.000 1.012 203 Y HN -0.081 nan 8.280 nan 0.000 0.555 204 F N -0.078 119.834 119.950 -0.062 0.000 2.451 204 F HA -0.034 4.482 4.527 -0.019 0.000 0.299 204 F C 0.965 176.711 175.800 -0.090 0.000 1.101 204 F CA -0.182 57.789 58.000 -0.048 0.000 1.436 204 F CB -0.990 37.997 39.000 -0.022 0.000 1.074 204 F HN -0.151 nan 8.300 nan 0.000 0.553 205 I N 2.896 123.431 120.570 -0.058 0.000 2.948 205 I HA -0.193 3.966 4.170 -0.019 0.000 0.284 205 I C 0.853 176.960 176.117 -0.017 0.000 1.181 205 I CA 0.275 61.528 61.300 -0.078 0.000 1.372 205 I CB -0.133 37.753 38.000 -0.189 0.000 1.443 205 I HN 0.223 nan 8.210 nan 0.000 0.554 206 N N 5.639 124.349 118.700 0.017 0.000 2.280 206 N HA -0.006 4.722 4.740 -0.019 0.000 0.192 206 N C 0.046 175.553 175.510 -0.004 0.000 1.109 206 N CA 0.188 53.245 53.050 0.010 0.000 0.855 206 N CB 0.340 38.843 38.487 0.026 0.000 0.974 206 N HN 0.404 nan 8.380 nan 0.000 0.482 207 K N 1.142 121.539 120.400 -0.004 0.000 2.606 207 K HA 0.239 4.548 4.320 -0.019 0.000 0.196 207 K C -2.082 174.510 176.600 -0.013 0.000 1.048 207 K CA -1.663 54.619 56.287 -0.008 0.000 1.017 207 K CB 1.996 34.498 32.500 0.003 0.000 1.413 207 K HN 0.026 nan 8.250 nan 0.000 0.568 208 P HA -0.174 nan 4.420 nan 0.000 0.221 208 P C 0.287 177.574 177.300 -0.023 0.000 1.145 208 P CA 1.257 64.336 63.100 -0.034 0.000 0.795 208 P CB 0.446 32.117 31.700 -0.050 0.000 0.775 209 E N -0.450 119.739 120.200 -0.018 0.000 2.107 209 E HA -0.068 4.271 4.350 -0.019 0.000 0.191 209 E C 1.777 178.376 176.600 -0.001 0.000 0.982 209 E CA 1.374 57.766 56.400 -0.013 0.000 0.809 209 E CB -1.390 28.301 29.700 -0.015 0.000 0.756 209 E HN 0.208 nan 8.360 nan 0.000 0.459 210 T N -0.621 113.938 114.554 0.007 0.000 3.081 210 T HA 0.196 4.535 4.350 -0.019 0.000 0.255 210 T C 1.233 175.955 174.700 0.037 0.000 1.113 210 T CA 0.483 62.598 62.100 0.025 0.000 1.082 210 T CB 0.084 68.971 68.868 0.032 0.000 0.939 210 T HN 0.401 nan 8.240 nan 0.000 0.506 211 G N 1.755 110.570 108.800 0.025 0.000 2.295 211 G HA2 -0.003 3.946 3.960 -0.019 0.000 0.287 211 G HA3 -0.003 3.946 3.960 -0.019 0.000 0.287 211 G C 0.061 175.012 174.900 0.085 0.000 1.055 211 G CA 0.070 45.191 45.100 0.035 0.000 0.922 211 G HN 0.890 nan 8.290 nan 0.000 0.503 212 A N -1.260 121.599 122.820 0.066 0.000 2.386 212 A HA 0.926 5.235 4.320 -0.019 0.000 0.308 212 A C -0.105 177.524 177.584 0.075 0.000 1.128 212 A CA -0.340 51.757 52.037 0.100 0.000 0.789 212 A CB 2.035 21.078 19.000 0.072 0.000 1.325 212 A HN 1.231 nan 8.150 nan 0.000 0.437 213 V N 0.967 120.945 119.914 0.108 0.000 2.398 213 V HA 0.502 4.611 4.120 -0.019 0.000 0.286 213 V C -0.124 176.000 176.094 0.051 0.000 1.026 213 V CA -0.295 62.055 62.300 0.083 0.000 0.868 213 V CB 1.031 32.928 31.823 0.122 0.000 0.982 213 V HN 0.905 nan 8.190 nan 0.000 0.443 214 E N 4.582 124.802 120.200 0.033 0.000 2.244 214 E HA 0.635 4.974 4.350 -0.019 0.000 0.260 214 E C -1.633 174.974 176.600 0.011 0.000 0.884 214 E CA -0.501 55.909 56.400 0.017 0.000 0.777 214 E CB 1.623 31.331 29.700 0.013 0.000 1.197 214 E HN 0.627 nan 8.360 nan 0.000 0.416 215 L N 3.056 124.281 121.223 0.003 0.000 2.362 215 L HA 0.530 4.859 4.340 -0.019 0.000 0.271 215 L C -0.241 176.622 176.870 -0.012 0.000 1.002 215 L CA -0.954 53.886 54.840 -0.001 0.000 0.818 215 L CB 1.914 43.972 42.059 -0.001 0.000 1.298 215 L HN 0.386 nan 8.230 nan 0.000 0.420 216 E N 1.233 121.424 120.200 -0.015 0.000 2.158 216 E HA 0.286 4.625 4.350 -0.019 0.000 0.271 216 E C -0.344 176.227 176.600 -0.049 0.000 0.911 216 E CA -0.576 55.808 56.400 -0.028 0.000 0.767 216 E CB 1.753 31.440 29.700 -0.021 0.000 1.120 216 E HN 0.627 nan 8.360 nan 0.000 0.405 217 S N 1.654 117.312 115.700 -0.070 0.000 3.614 217 S HA -0.120 4.339 4.470 -0.019 0.000 0.360 217 S C -2.147 172.347 174.600 -0.178 0.000 1.023 217 S CA 0.355 58.481 58.200 -0.124 0.000 1.114 217 S CB -1.317 61.809 63.200 -0.124 0.000 0.907 217 S HN 0.485 nan 8.310 nan 0.000 0.470 218 P HA 0.440 nan 4.420 nan 0.000 0.277 218 P C 0.017 177.240 177.300 -0.129 0.000 1.240 218 P CA -0.475 62.577 63.100 -0.081 0.000 0.798 218 P CB 0.436 32.127 31.700 -0.015 0.000 0.979 219 F N 1.150 121.100 119.950 0.001 0.000 2.375 219 F HA 0.382 4.898 4.527 -0.019 0.000 0.333 219 F C 0.905 176.705 175.800 0.001 0.000 1.104 219 F CA -0.025 57.976 58.000 0.002 0.000 1.149 219 F CB 0.569 39.570 39.000 0.001 0.000 1.190 219 F HN 0.076 nan 8.300 nan 0.000 0.533 220 I N 4.275 124.981 120.570 0.227 0.000 2.439 220 I HA 0.226 4.385 4.170 -0.019 0.000 0.285 220 I C -1.267 174.909 176.117 0.098 0.000 1.021 220 I CA -0.785 60.589 61.300 0.123 0.000 1.091 220 I CB 1.657 39.712 38.000 0.091 0.000 1.242 220 I HN 0.253 nan 8.210 nan 0.000 0.439 221 L N 8.479 129.741 121.223 0.065 0.000 2.260 221 L HA 0.525 4.854 4.340 -0.019 0.000 0.289 221 L C -1.061 175.823 176.870 0.024 0.000 1.057 221 L CA -0.007 54.853 54.840 0.034 0.000 0.811 221 L CB 0.622 42.691 42.059 0.016 0.000 1.184 221 L HN 0.444 nan 8.230 nan 0.000 0.429 222 L N 6.352 127.584 121.223 0.015 0.000 2.276 222 L HA 0.793 5.122 4.340 -0.019 0.000 0.286 222 L C -0.071 176.797 176.870 -0.004 0.000 1.024 222 L CA -0.330 54.511 54.840 0.002 0.000 0.826 222 L CB 1.374 43.431 42.059 -0.004 0.000 1.211 222 L HN 0.793 nan 8.230 nan 0.000 0.422 223 A N 1.854 124.671 122.820 -0.005 0.000 2.375 223 A HA 0.419 4.728 4.320 -0.019 0.000 0.291 223 A C -0.886 176.694 177.584 -0.006 0.000 1.160 223 A CA -0.545 51.489 52.037 -0.004 0.000 0.747 223 A CB 0.944 19.944 19.000 0.001 0.000 1.170 223 A HN 0.673 nan 8.150 nan 0.000 0.458 224 D N 2.664 123.058 120.400 -0.010 0.000 2.483 224 D HA 0.457 5.086 4.640 -0.019 0.000 0.220 224 D C -0.028 176.272 176.300 -0.001 0.000 1.173 224 D CA 0.409 54.403 54.000 -0.010 0.000 0.964 224 D CB -0.412 40.379 40.800 -0.016 0.000 1.046 224 D HN 0.667 nan 8.370 nan 0.000 0.517 225 K N 0.130 120.534 120.400 0.005 0.000 3.040 225 K HA 0.219 4.528 4.320 -0.019 0.000 0.300 225 K C -1.506 175.104 176.600 0.017 0.000 1.092 225 K CA -1.095 55.199 56.287 0.011 0.000 0.831 225 K CB 0.409 32.914 32.500 0.008 0.000 1.469 225 K HN -0.094 nan 8.250 nan 0.000 0.365 226 K N 1.274 121.686 120.400 0.020 0.000 2.234 226 K HA 0.381 4.689 4.320 -0.019 0.000 0.282 226 K C -0.505 176.110 176.600 0.024 0.000 1.039 226 K CA -0.473 55.829 56.287 0.025 0.000 0.928 226 K CB 0.755 33.270 32.500 0.026 0.000 1.039 226 K HN 0.402 nan 8.250 nan 0.000 0.470 227 I N 3.045 123.632 120.570 0.030 0.000 2.310 227 I HA 0.015 4.174 4.170 -0.019 0.000 0.287 227 I C 0.643 176.780 176.117 0.034 0.000 1.073 227 I CA 0.064 61.382 61.300 0.030 0.000 1.216 227 I CB 1.174 39.192 38.000 0.031 0.000 1.415 227 I HN 0.678 nan 8.210 nan 0.000 0.480 228 S N 3.652 119.369 115.700 0.028 0.000 2.452 228 S HA 0.152 4.610 4.470 -0.019 0.000 0.225 228 S C 0.823 175.438 174.600 0.026 0.000 1.057 228 S CA 0.100 58.317 58.200 0.028 0.000 0.949 228 S CB 0.133 63.347 63.200 0.023 0.000 0.836 228 S HN 0.585 nan 8.310 nan 0.000 0.518 229 N N 1.489 120.202 118.700 0.021 0.000 2.524 229 N HA 0.277 5.006 4.740 -0.019 0.000 0.283 229 N C 0.308 175.830 175.510 0.020 0.000 1.142 229 N CA -0.145 52.916 53.050 0.018 0.000 0.984 229 N CB 1.523 40.018 38.487 0.013 0.000 1.155 229 N HN 0.100 nan 8.380 nan 0.000 0.467 230 I N 1.874 122.456 120.570 0.019 0.000 3.226 230 I HA -0.035 4.124 4.170 -0.019 0.000 0.277 230 I C 1.790 177.915 176.117 0.012 0.000 1.243 230 I CA 0.327 61.638 61.300 0.019 0.000 1.459 230 I CB 0.183 38.195 38.000 0.021 0.000 1.093 230 I HN 0.420 nan 8.210 nan 0.000 0.453 231 R N 1.058 121.563 120.500 0.009 0.000 2.119 231 R HA -0.234 4.094 4.340 -0.019 0.000 0.246 231 R C 1.819 178.121 176.300 0.003 0.000 1.146 231 R CA 2.130 58.233 56.100 0.005 0.000 0.962 231 R CB -0.401 29.902 30.300 0.005 0.000 0.863 231 R HN 0.545 nan 8.270 nan 0.000 0.442 232 E N -0.091 120.112 120.200 0.005 0.000 2.204 232 E HA -0.131 4.208 4.350 -0.019 0.000 0.194 232 E C 1.920 178.519 176.600 -0.001 0.000 0.989 232 E CA 0.724 57.125 56.400 0.002 0.000 0.824 232 E CB -0.011 29.692 29.700 0.004 0.000 0.756 232 E HN 0.247 nan 8.360 nan 0.000 0.477 233 M N 0.546 120.148 119.600 0.003 0.000 2.160 233 M HA -0.019 4.450 4.480 -0.019 0.000 0.264 233 M C 2.396 178.694 176.300 -0.005 0.000 1.073 233 M CA 1.069 56.370 55.300 0.002 0.000 1.142 233 M CB -0.821 31.786 32.600 0.011 0.000 1.358 233 M HN 0.126 nan 8.290 nan 0.000 0.422 234 L N 0.544 121.766 121.223 -0.002 0.000 2.030 234 L HA -0.265 4.064 4.340 -0.019 0.000 0.222 234 L C -0.359 176.503 176.870 -0.014 0.000 1.082 234 L CA 1.963 56.800 54.840 -0.005 0.000 0.785 234 L CB -2.814 39.243 42.059 -0.003 0.000 0.895 234 L HN 0.188 nan 8.230 nan 0.000 0.439 235 P HA -0.147 nan 4.420 nan 0.000 0.216 235 P C 1.843 179.119 177.300 -0.039 0.000 1.153 235 P CA 1.615 64.700 63.100 -0.025 0.000 0.858 235 P CB -0.039 31.647 31.700 -0.023 0.000 0.789 236 V N 0.249 120.138 119.914 -0.043 0.000 2.346 236 V HA -0.166 3.943 4.120 -0.019 0.000 0.244 236 V C 2.858 178.914 176.094 -0.063 0.000 1.037 236 V CA 1.257 63.517 62.300 -0.065 0.000 1.029 236 V CB -1.354 30.433 31.823 -0.059 0.000 0.663 236 V HN -0.012 nan 8.190 nan 0.000 0.454 237 L N -0.097 121.105 121.223 -0.035 0.000 2.081 237 L HA -0.254 4.075 4.340 -0.019 0.000 0.212 237 L C 2.633 179.491 176.870 -0.019 0.000 1.080 237 L CA 1.847 56.675 54.840 -0.019 0.000 0.754 237 L CB -0.467 41.591 42.059 -0.001 0.000 0.893 237 L HN 0.463 nan 8.230 nan 0.000 0.433 238 E N -0.386 119.800 120.200 -0.024 0.000 2.072 238 E HA -0.148 4.191 4.350 -0.019 0.000 0.190 238 E C 2.283 178.863 176.600 -0.033 0.000 0.982 238 E CA 0.971 57.359 56.400 -0.020 0.000 0.803 238 E CB -0.147 29.543 29.700 -0.017 0.000 0.755 238 E HN 0.473 nan 8.360 nan 0.000 0.453 239 A N 0.884 123.669 122.820 -0.058 0.000 1.978 239 A HA -0.151 4.158 4.320 -0.019 0.000 0.220 239 A C 2.418 179.935 177.584 -0.111 0.000 1.170 239 A CA 1.108 53.093 52.037 -0.086 0.000 0.636 239 A CB -0.520 18.410 19.000 -0.117 0.000 0.810 239 A HN 0.118 nan 8.150 nan 0.000 0.448 240 V N -0.450 119.396 119.914 -0.113 0.000 2.323 240 V HA -0.174 3.935 4.120 -0.019 0.000 0.244 240 V C 3.034 179.145 176.094 0.028 0.000 1.041 240 V CA 1.711 63.964 62.300 -0.077 0.000 1.025 240 V CB -1.080 30.715 31.823 -0.046 0.000 0.656 240 V HN 0.598 nan 8.190 nan 0.000 0.451 241 A N -0.708 122.122 122.820 0.017 0.000 1.978 241 A HA -0.255 4.054 4.320 -0.019 0.000 0.220 241 A C 2.311 179.914 177.584 0.033 0.000 1.170 241 A CA 1.922 53.977 52.037 0.031 0.000 0.636 241 A CB -0.463 18.549 19.000 0.019 0.000 0.810 241 A HN 0.474 nan 8.150 nan 0.000 0.448 242 K N -0.711 119.700 120.400 0.018 0.000 2.148 242 K HA -0.022 4.287 4.320 -0.019 0.000 0.204 242 K C 1.904 178.531 176.600 0.045 0.000 1.050 242 K CA 0.976 57.275 56.287 0.020 0.000 0.942 242 K CB -0.175 32.326 32.500 0.002 0.000 0.724 242 K HN 0.458 nan 8.250 nan 0.000 0.446 243 A N -0.174 122.693 122.820 0.078 0.000 2.218 243 A HA 0.160 4.468 4.320 -0.019 0.000 0.209 243 A C 1.347 179.003 177.584 0.121 0.000 1.168 243 A CA 0.923 53.042 52.037 0.136 0.000 0.804 243 A CB -0.124 19.049 19.000 0.288 0.000 0.834 243 A HN 0.416 nan 8.150 nan 0.000 0.482 244 G N -0.637 108.221 108.800 0.097 0.000 2.168 244 G HA2 -0.298 3.651 3.960 -0.019 0.000 0.263 244 G HA3 -0.298 3.651 3.960 -0.019 0.000 0.263 244 G C 0.273 175.219 174.900 0.078 0.000 0.977 244 G CA 0.951 46.095 45.100 0.072 0.000 0.659 244 G HN 0.602 nan 8.290 nan 0.000 0.533 245 K N 0.956 121.432 120.400 0.126 0.000 2.095 245 K HA 0.571 4.880 4.320 -0.019 0.000 0.252 245 K C -1.864 174.811 176.600 0.126 0.000 0.977 245 K CA -1.769 54.577 56.287 0.099 0.000 0.900 245 K CB 1.596 34.124 32.500 0.048 0.000 1.060 245 K HN 0.087 nan 8.250 nan 0.000 0.449 246 P HA 0.210 nan 4.420 nan 0.000 0.279 246 P C -1.385 175.981 177.300 0.110 0.000 1.282 246 P CA -0.554 62.592 63.100 0.077 0.000 0.788 246 P CB 0.613 32.336 31.700 0.039 0.000 1.139 247 L N 0.143 121.412 121.223 0.077 0.000 2.464 247 L HA 0.535 4.864 4.340 -0.019 0.000 0.266 247 L C -1.617 175.263 176.870 0.017 0.000 0.965 247 L CA -0.934 53.955 54.840 0.082 0.000 0.833 247 L CB 1.663 43.768 42.059 0.077 0.000 1.296 247 L HN 0.141 nan 8.230 nan 0.000 0.405 248 L N 5.834 127.073 121.223 0.027 0.000 2.282 248 L HA 0.626 4.954 4.340 -0.019 0.000 0.288 248 L C -1.031 175.841 176.870 0.003 0.000 1.033 248 L CA -0.179 54.656 54.840 -0.009 0.000 0.807 248 L CB 1.151 43.221 42.059 0.018 0.000 1.209 248 L HN 0.471 nan 8.230 nan 0.000 0.423 249 I N 7.011 127.561 120.570 -0.032 0.000 2.312 249 I HA 0.297 4.456 4.170 -0.019 0.000 0.290 249 I C -0.249 175.879 176.117 0.018 0.000 1.008 249 I CA -0.218 61.077 61.300 -0.007 0.000 1.226 249 I CB 1.079 39.066 38.000 -0.022 0.000 1.371 249 I HN 0.552 nan 8.210 nan 0.000 0.468 250 I N 5.994 126.587 120.570 0.039 0.000 2.359 250 I HA 0.580 4.739 4.170 -0.019 0.000 0.284 250 I C 0.283 176.410 176.117 0.018 0.000 1.018 250 I CA -0.193 61.137 61.300 0.050 0.000 1.173 250 I CB 1.386 39.419 38.000 0.055 0.000 1.326 250 I HN 0.658 nan 8.210 nan 0.000 0.462 251 A N 4.550 127.384 122.820 0.023 0.000 2.486 251 A HA 0.453 4.762 4.320 -0.019 0.000 0.289 251 A C 0.845 178.441 177.584 0.019 0.000 1.176 251 A CA -0.548 51.498 52.037 0.015 0.000 0.757 251 A CB 1.425 20.438 19.000 0.022 0.000 1.337 251 A HN 0.722 nan 8.150 nan 0.000 0.423 252 E N -0.568 119.642 120.200 0.017 0.000 2.058 252 E HA -0.173 4.166 4.350 -0.019 0.000 0.194 252 E C -0.270 176.353 176.600 0.039 0.000 0.997 252 E CA 1.812 58.226 56.400 0.025 0.000 0.801 252 E CB 0.116 29.832 29.700 0.025 0.000 0.746 252 E HN 0.598 nan 8.360 nan 0.000 0.450 253 D N -2.002 118.423 120.400 0.041 0.000 2.622 253 D HA 0.254 4.883 4.640 -0.019 0.000 0.255 253 D C -1.898 174.434 176.300 0.053 0.000 1.246 253 D CA -0.567 53.463 54.000 0.051 0.000 0.795 253 D CB 2.296 43.125 40.800 0.048 0.000 1.369 253 D HN -0.119 nan 8.370 nan 0.000 0.425 254 V N 2.164 122.119 119.914 0.069 0.000 2.409 254 V HA 0.425 4.534 4.120 -0.019 0.000 0.290 254 V C -0.043 176.101 176.094 0.082 0.000 1.017 254 V CA -0.623 61.722 62.300 0.075 0.000 0.841 254 V CB 1.527 33.406 31.823 0.092 0.000 1.003 254 V HN 0.415 nan 8.190 nan 0.000 0.426 255 E N 2.261 122.501 120.200 0.066 0.000 2.232 255 E HA 0.570 4.909 4.350 -0.019 0.000 0.264 255 E C 1.302 177.936 176.600 0.056 0.000 0.973 255 E CA 0.006 56.441 56.400 0.059 0.000 0.849 255 E CB 1.905 31.631 29.700 0.044 0.000 1.198 255 E HN 0.706 nan 8.360 nan 0.000 0.407 256 G N 1.714 110.544 108.800 0.049 0.000 3.697 256 G HA2 -0.470 3.479 3.960 -0.019 0.000 0.307 256 G HA3 -0.470 3.479 3.960 -0.019 0.000 0.307 256 G C 1.228 176.151 174.900 0.039 0.000 1.169 256 G CA 1.594 46.719 45.100 0.041 0.000 1.169 256 G HN 0.663 nan 8.290 nan 0.000 1.307 257 E N 1.010 121.230 120.200 0.033 0.000 1.997 257 E HA -0.106 4.232 4.350 -0.019 0.000 0.201 257 E C 3.061 179.683 176.600 0.037 0.000 1.011 257 E CA 1.738 58.156 56.400 0.029 0.000 0.847 257 E CB -0.708 29.006 29.700 0.023 0.000 0.787 257 E HN 0.520 nan 8.360 nan 0.000 0.472 258 A N 1.083 123.929 122.820 0.043 0.000 2.019 258 A HA -0.163 4.145 4.320 -0.019 0.000 0.219 258 A C 2.209 179.840 177.584 0.078 0.000 1.164 258 A CA 1.368 53.436 52.037 0.052 0.000 0.644 258 A CB -0.606 18.423 19.000 0.048 0.000 0.805 258 A HN 0.361 nan 8.150 nan 0.000 0.449 259 L N 0.013 121.290 121.223 0.090 0.000 1.970 259 L HA -0.106 4.223 4.340 -0.019 0.000 0.212 259 L C 2.670 179.603 176.870 0.105 0.000 1.071 259 L CA 2.486 57.405 54.840 0.132 0.000 0.751 259 L CB -1.018 41.115 42.059 0.124 0.000 0.889 259 L HN 0.322 nan 8.230 nan 0.000 0.432 260 A N -1.731 121.124 122.820 0.058 0.000 2.032 260 A HA -0.222 4.087 4.320 -0.019 0.000 0.221 260 A C 2.191 179.780 177.584 0.009 0.000 1.165 260 A CA 2.352 54.400 52.037 0.018 0.000 0.645 260 A CB -1.217 17.788 19.000 0.008 0.000 0.807 260 A HN 0.614 nan 8.150 nan 0.000 0.453 261 T N 0.413 114.986 114.554 0.033 0.000 2.770 261 T HA -0.030 4.309 4.350 -0.019 0.000 0.263 261 T C 1.834 176.565 174.700 0.051 0.000 1.039 261 T CA 1.317 63.434 62.100 0.029 0.000 1.142 261 T CB -0.408 68.479 68.868 0.032 0.000 0.868 261 T HN 0.390 nan 8.240 nan 0.000 0.435 262 L N 0.959 122.245 121.223 0.104 0.000 2.012 262 L HA -0.127 4.202 4.340 -0.019 0.000 0.210 262 L C 2.730 179.700 176.870 0.166 0.000 1.073 262 L CA 1.015 55.960 54.840 0.176 0.000 0.748 262 L CB -1.079 41.149 42.059 0.282 0.000 0.891 262 L HN 0.112 nan 8.230 nan 0.000 0.431 263 V N -0.270 119.685 119.914 0.068 0.000 2.278 263 V HA -0.293 3.815 4.120 -0.019 0.000 0.251 263 V C 2.362 178.378 176.094 -0.130 0.000 1.062 263 V CA 1.982 64.193 62.300 -0.148 0.000 1.038 263 V CB -0.369 31.331 31.823 -0.205 0.000 0.646 263 V HN 0.259 nan 8.190 nan 0.000 0.447 264 V N -0.366 119.496 119.914 -0.088 0.000 2.719 264 V HA -0.129 3.980 4.120 -0.019 0.000 0.252 264 V C 1.824 177.893 176.094 -0.041 0.000 1.065 264 V CA 1.794 64.039 62.300 -0.091 0.000 1.086 264 V CB -0.808 30.968 31.823 -0.079 0.000 0.700 264 V HN 0.605 nan 8.190 nan 0.000 0.467 265 N N -0.018 118.683 118.700 0.002 0.000 2.373 265 N HA -0.073 4.656 4.740 -0.019 0.000 0.181 265 N C 1.837 177.372 175.510 0.040 0.000 1.082 265 N CA 1.093 54.156 53.050 0.021 0.000 0.885 265 N CB 0.300 38.806 38.487 0.032 0.000 0.977 265 N HN 0.640 nan 8.380 nan 0.000 0.462 266 T N -1.865 112.727 114.554 0.063 0.000 3.037 266 T HA 0.075 4.414 4.350 -0.019 0.000 0.252 266 T C 1.792 176.511 174.700 0.032 0.000 1.073 266 T CA 0.015 62.162 62.100 0.079 0.000 1.091 266 T CB 0.060 69.032 68.868 0.174 0.000 0.935 266 T HN -0.082 nan 8.240 nan 0.000 0.488 267 M N 1.408 121.000 119.600 -0.014 0.000 2.108 267 M HA 0.139 4.608 4.480 -0.019 0.000 0.261 267 M C 2.220 178.498 176.300 -0.037 0.000 1.066 267 M CA 1.555 56.822 55.300 -0.055 0.000 1.107 267 M CB -0.247 32.281 32.600 -0.121 0.000 1.356 267 M HN 0.089 nan 8.290 nan 0.000 0.406 268 R N -0.722 119.762 120.500 -0.026 0.000 2.313 268 R HA 0.194 4.523 4.340 -0.019 0.000 0.199 268 R C 1.007 177.305 176.300 -0.004 0.000 0.958 268 R CA 0.607 56.697 56.100 -0.018 0.000 1.047 268 R CB -0.214 30.076 30.300 -0.016 0.000 0.955 268 R HN 0.645 nan 8.270 nan 0.000 0.481 269 G N 1.038 109.842 108.800 0.006 0.000 2.168 269 G HA2 -0.297 3.652 3.960 -0.019 0.000 0.257 269 G HA3 -0.297 3.652 3.960 -0.019 0.000 0.257 269 G C 0.748 175.659 174.900 0.019 0.000 0.997 269 G CA 0.352 45.461 45.100 0.015 0.000 0.708 269 G HN 0.340 nan 8.290 nan 0.000 0.520 270 I N -0.887 119.694 120.570 0.019 0.000 2.179 270 I HA -0.028 4.131 4.170 -0.019 0.000 0.242 270 I C 1.001 177.135 176.117 0.029 0.000 1.088 270 I CA 1.655 62.967 61.300 0.020 0.000 1.357 270 I CB -0.105 37.904 38.000 0.016 0.000 1.051 270 I HN 0.136 nan 8.210 nan 0.000 0.409 271 V N -0.162 119.775 119.914 0.039 0.000 2.888 271 V HA 0.269 4.378 4.120 -0.019 0.000 0.309 271 V C -0.782 175.348 176.094 0.061 0.000 1.114 271 V CA -1.156 61.172 62.300 0.047 0.000 0.940 271 V CB 1.917 33.768 31.823 0.046 0.000 1.021 271 V HN -0.025 nan 8.190 nan 0.000 0.426 272 K N 2.405 122.841 120.400 0.060 0.000 2.250 272 K HA 0.613 4.922 4.320 -0.019 0.000 0.285 272 K C -0.711 175.927 176.600 0.063 0.000 1.097 272 K CA 0.091 56.419 56.287 0.069 0.000 0.913 272 K CB 0.920 33.452 32.500 0.054 0.000 1.179 272 K HN 0.530 nan 8.250 nan 0.000 0.462 273 V N 1.460 121.424 119.914 0.083 0.000 2.815 273 V HA 0.882 4.990 4.120 -0.019 0.000 0.314 273 V C -0.452 175.540 176.094 -0.170 0.000 1.064 273 V CA -1.086 61.216 62.300 0.003 0.000 0.952 273 V CB 1.898 33.742 31.823 0.035 0.000 1.020 273 V HN 0.738 nan 8.190 nan 0.000 0.439 274 A N 2.075 124.643 122.820 -0.419 0.000 2.572 274 A HA 1.005 5.314 4.320 -0.019 0.000 0.295 274 A C -0.830 176.354 177.584 -0.667 0.000 1.072 274 A CA -0.222 51.218 52.037 -0.996 0.000 0.691 274 A CB 1.979 20.673 19.000 -0.510 0.000 1.291 274 A HN 1.707 nan 8.150 nan 0.000 0.404 275 A N 0.448 122.821 122.820 -0.746 0.000 2.422 275 A HA 0.821 5.130 4.320 -0.019 0.000 0.302 275 A C -0.538 177.014 177.584 -0.055 0.000 1.041 275 A CA -0.048 51.845 52.037 -0.241 0.000 0.708 275 A CB 1.311 20.243 19.000 -0.113 0.000 1.257 275 A HN 2.327 nan 8.150 nan 0.000 0.414 276 V N -0.535 119.397 119.914 0.030 0.000 2.962 276 V HA 0.628 4.737 4.120 -0.019 0.000 0.313 276 V C -0.398 175.769 176.094 0.122 0.000 1.099 276 V CA -1.282 61.079 62.300 0.102 0.000 0.971 276 V CB 1.623 33.526 31.823 0.134 0.000 1.028 276 V HN 0.848 nan 8.190 nan 0.000 0.430 277 K N 2.287 122.762 120.400 0.126 0.000 2.436 277 K HA 0.511 4.819 4.320 -0.019 0.000 0.275 277 K C 0.566 177.230 176.600 0.107 0.000 0.999 277 K CA 0.448 56.797 56.287 0.104 0.000 0.980 277 K CB 0.959 33.516 32.500 0.095 0.000 0.919 277 K HN 1.113 nan 8.250 nan 0.000 0.484 278 A N 4.492 127.325 122.820 0.023 0.000 2.466 278 A HA 0.216 4.525 4.320 -0.019 0.000 0.238 278 A C -2.079 175.453 177.584 -0.088 0.000 1.074 278 A CA -0.972 51.008 52.037 -0.094 0.000 0.774 278 A CB -0.363 18.581 19.000 -0.093 0.000 1.015 278 A HN 0.436 nan 8.150 nan 0.000 0.498 279 P HA 0.491 nan 4.420 nan 0.000 0.281 279 P C 0.610 177.882 177.300 -0.047 0.000 1.249 279 P CA 1.204 64.238 63.100 -0.110 0.000 0.810 279 P CB 0.870 32.412 31.700 -0.263 0.000 1.008 280 G N 1.333 110.160 108.800 0.044 0.000 2.697 280 G HA2 -0.060 3.889 3.960 -0.019 0.000 0.240 280 G HA3 -0.060 3.889 3.960 -0.019 0.000 0.240 280 G C -0.792 174.204 174.900 0.160 0.000 1.346 280 G CA 0.086 45.236 45.100 0.083 0.000 0.887 280 G HN 0.728 nan 8.290 nan 0.000 0.569 281 F N -2.242 117.713 119.950 0.007 0.000 2.692 281 F HA 0.792 5.308 4.527 -0.018 0.000 0.320 281 F C 1.204 177.009 175.800 0.010 0.000 1.123 281 F CA 0.232 58.237 58.000 0.008 0.000 0.961 281 F CB 0.931 39.941 39.000 0.016 0.000 1.383 281 F HN 2.363 nan 8.300 nan 0.000 0.483 282 G N 1.453 110.306 108.800 0.089 0.000 2.685 282 G HA2 -0.370 3.579 3.960 -0.019 0.000 0.329 282 G HA3 -0.370 3.579 3.960 -0.019 0.000 0.329 282 G C 0.448 175.282 174.900 -0.110 0.000 1.271 282 G CA 1.061 46.148 45.100 -0.022 0.000 1.003 282 G HN 0.837 nan 8.290 nan 0.000 0.549 283 D N 1.017 121.322 120.400 -0.159 0.000 2.120 283 D HA -0.027 4.602 4.640 -0.019 0.000 0.202 283 D C 2.490 178.705 176.300 -0.142 0.000 0.972 283 D CA 1.462 55.392 54.000 -0.117 0.000 0.837 283 D CB -0.446 40.302 40.800 -0.087 0.000 0.989 283 D HN 0.730 nan 8.370 nan 0.000 0.469 284 R N 1.185 121.562 120.500 -0.206 0.000 2.276 284 R HA -0.120 4.209 4.340 -0.019 0.000 0.243 284 R C 2.028 178.238 176.300 -0.150 0.000 1.161 284 R CA 1.172 57.163 56.100 -0.181 0.000 1.007 284 R CB -0.286 29.894 30.300 -0.199 0.000 0.867 284 R HN 0.104 nan 8.270 nan 0.000 0.472 285 R N 1.322 121.736 120.500 -0.142 0.000 2.057 285 R HA -0.015 4.314 4.340 -0.019 0.000 0.224 285 R C 1.570 177.815 176.300 -0.092 0.000 1.136 285 R CA 1.285 57.324 56.100 -0.102 0.000 0.968 285 R CB -0.041 30.226 30.300 -0.055 0.000 0.863 285 R HN 0.237 nan 8.270 nan 0.000 0.433 286 K N 0.394 120.748 120.400 -0.075 0.000 2.063 286 K HA -0.122 4.187 4.320 -0.019 0.000 0.208 286 K C 2.110 178.669 176.600 -0.068 0.000 1.048 286 K CA 1.761 58.011 56.287 -0.061 0.000 0.928 286 K CB -0.191 32.281 32.500 -0.047 0.000 0.713 286 K HN 0.241 nan 8.250 nan 0.000 0.442 287 A N 1.079 123.854 122.820 -0.076 0.000 1.877 287 A HA -0.159 4.150 4.320 -0.019 0.000 0.216 287 A C 2.129 179.663 177.584 -0.083 0.000 1.186 287 A CA 1.543 53.536 52.037 -0.072 0.000 0.620 287 A CB -0.442 18.514 19.000 -0.073 0.000 0.822 287 A HN 0.189 nan 8.150 nan 0.000 0.443 288 M N -0.851 118.685 119.600 -0.106 0.000 2.229 288 M HA -0.054 4.415 4.480 -0.019 0.000 0.264 288 M C 2.141 178.352 176.300 -0.148 0.000 1.063 288 M CA 1.062 56.283 55.300 -0.131 0.000 1.114 288 M CB -0.426 32.075 32.600 -0.165 0.000 1.387 288 M HN 0.393 nan 8.290 nan 0.000 0.420 289 L N -0.006 121.135 121.223 -0.137 0.000 2.042 289 L HA -0.268 4.061 4.340 -0.019 0.000 0.210 289 L C 2.684 179.504 176.870 -0.083 0.000 1.076 289 L CA 1.376 56.143 54.840 -0.123 0.000 0.749 289 L CB -0.405 41.599 42.059 -0.092 0.000 0.893 289 L HN 0.303 nan 8.230 nan 0.000 0.432 290 Q N -0.006 119.754 119.800 -0.066 0.000 2.167 290 Q HA -0.205 4.124 4.340 -0.019 0.000 0.202 290 Q C 1.658 177.632 176.000 -0.043 0.000 0.970 290 Q CA 1.686 57.461 55.803 -0.046 0.000 0.855 290 Q CB -0.154 28.560 28.738 -0.040 0.000 0.911 290 Q HN 0.414 nan 8.270 nan 0.000 0.438 291 D N -0.258 120.109 120.400 -0.056 0.000 2.092 291 D HA -0.153 4.476 4.640 -0.019 0.000 0.193 291 D C 1.888 178.168 176.300 -0.033 0.000 0.994 291 D CA 1.487 55.460 54.000 -0.044 0.000 0.828 291 D CB -0.272 40.496 40.800 -0.054 0.000 0.963 291 D HN 0.354 nan 8.370 nan 0.000 0.450 292 I N 1.327 121.867 120.570 -0.051 0.000 2.208 292 I HA -0.295 3.864 4.170 -0.019 0.000 0.245 292 I C 2.516 178.630 176.117 -0.005 0.000 1.097 292 I CA 1.154 62.440 61.300 -0.023 0.000 1.363 292 I CB -0.339 37.627 38.000 -0.057 0.000 1.051 292 I HN -0.076 nan 8.210 nan 0.000 0.413 293 A N 0.715 123.526 122.820 -0.016 0.000 1.849 293 A HA -0.285 4.023 4.320 -0.019 0.000 0.217 293 A C 2.421 180.007 177.584 0.003 0.000 1.202 293 A CA 2.943 54.979 52.037 -0.003 0.000 0.629 293 A CB -1.404 17.589 19.000 -0.011 0.000 0.834 293 A HN 0.411 nan 8.150 nan 0.000 0.447 294 T N 0.373 114.925 114.554 -0.004 0.000 2.665 294 T HA -0.180 4.159 4.350 -0.019 0.000 0.268 294 T C 1.820 176.523 174.700 0.005 0.000 1.035 294 T CA 1.385 63.485 62.100 -0.001 0.000 1.151 294 T CB -0.464 68.400 68.868 -0.006 0.000 0.862 294 T HN 0.345 nan 8.240 nan 0.000 0.438 295 L N 1.176 122.403 121.223 0.007 0.000 2.043 295 L HA -0.160 4.169 4.340 -0.019 0.000 0.212 295 L C 2.450 179.329 176.870 0.016 0.000 1.075 295 L CA 2.202 57.050 54.840 0.013 0.000 0.752 295 L CB -0.692 41.380 42.059 0.022 0.000 0.891 295 L HN 0.513 nan 8.230 nan 0.000 0.432 296 T N -4.762 109.804 114.554 0.021 0.000 3.054 296 T HA 0.264 4.603 4.350 -0.019 0.000 0.255 296 T C 1.105 175.823 174.700 0.029 0.000 1.035 296 T CA 0.352 62.468 62.100 0.025 0.000 0.941 296 T CB 0.463 69.353 68.868 0.037 0.000 1.026 296 T HN 0.486 nan 8.240 nan 0.000 0.533 297 G N 0.589 109.404 108.800 0.024 0.000 2.272 297 G HA2 0.071 4.020 3.960 -0.019 0.000 0.280 297 G HA3 0.071 4.020 3.960 -0.019 0.000 0.280 297 G C 0.287 175.210 174.900 0.038 0.000 1.067 297 G CA -0.214 44.902 45.100 0.027 0.000 0.902 297 G HN 1.035 nan 8.290 nan 0.000 0.500 298 G N -1.447 107.373 108.800 0.033 0.000 2.597 298 G HA2 0.829 4.778 3.960 -0.019 0.000 0.317 298 G HA3 0.829 4.778 3.960 -0.019 0.000 0.317 298 G C -0.346 174.565 174.900 0.018 0.000 1.230 298 G CA 0.125 45.247 45.100 0.036 0.000 0.996 298 G HN 0.670 nan 8.290 nan 0.000 0.490 299 T N 0.038 114.600 114.554 0.014 0.000 2.829 299 T HA 0.465 4.804 4.350 -0.019 0.000 0.280 299 T C -0.044 174.655 174.700 -0.002 0.000 0.999 299 T CA -0.358 61.744 62.100 0.003 0.000 0.983 299 T CB 1.802 70.671 68.868 0.001 0.000 0.968 299 T HN 0.361 nan 8.240 nan 0.000 0.446 300 V N 3.998 123.907 119.914 -0.008 0.000 2.530 300 V HA 0.298 4.407 4.120 -0.019 0.000 0.282 300 V C 0.290 176.377 176.094 -0.011 0.000 1.048 300 V CA -0.494 61.798 62.300 -0.012 0.000 0.997 300 V CB 0.382 32.193 31.823 -0.020 0.000 0.987 300 V HN 0.778 nan 8.190 nan 0.000 0.477 301 I N 5.179 125.743 120.570 -0.010 0.000 2.310 301 I HA 0.273 4.432 4.170 -0.019 0.000 0.287 301 I C 0.305 176.417 176.117 -0.008 0.000 1.073 301 I CA 0.163 61.458 61.300 -0.008 0.000 1.216 301 I CB 0.652 38.648 38.000 -0.008 0.000 1.415 301 I HN 0.709 nan 8.210 nan 0.000 0.480 302 S N 2.808 118.503 115.700 -0.008 0.000 2.454 302 S HA 0.374 4.833 4.470 -0.019 0.000 0.306 302 S C 0.464 175.061 174.600 -0.005 0.000 1.100 302 S CA -0.890 57.306 58.200 -0.007 0.000 1.087 302 S CB 1.726 64.920 63.200 -0.010 0.000 1.019 302 S HN 0.594 nan 8.310 nan 0.000 0.480 303 E N 1.691 121.890 120.200 -0.002 0.000 2.418 303 E HA -0.109 4.229 4.350 -0.019 0.000 0.197 303 E C 0.990 177.590 176.600 -0.001 0.000 1.026 303 E CA 0.723 57.122 56.400 -0.001 0.000 0.862 303 E CB -0.177 29.523 29.700 0.001 0.000 0.799 303 E HN 0.849 nan 8.360 nan 0.000 0.518 304 E N 1.035 121.234 120.200 -0.002 0.000 2.204 304 E HA -0.108 4.230 4.350 -0.019 0.000 0.194 304 E C 1.564 178.162 176.600 -0.003 0.000 0.989 304 E CA 0.735 57.134 56.400 -0.002 0.000 0.824 304 E CB -0.112 29.586 29.700 -0.003 0.000 0.756 304 E HN 0.345 nan 8.360 nan 0.000 0.477 305 I N 0.577 121.145 120.570 -0.004 0.000 3.735 305 I HA 0.095 4.254 4.170 -0.019 0.000 0.310 305 I C 1.127 177.241 176.117 -0.004 0.000 1.270 305 I CA 0.261 61.558 61.300 -0.005 0.000 1.207 305 I CB -0.264 37.733 38.000 -0.006 0.000 1.013 305 I HN 0.233 nan 8.210 nan 0.000 0.452 306 G N 1.679 110.477 108.800 -0.003 0.000 2.160 306 G HA2 -0.296 3.653 3.960 -0.019 0.000 0.251 306 G HA3 -0.296 3.653 3.960 -0.019 0.000 0.251 306 G C 0.232 175.129 174.900 -0.004 0.000 1.008 306 G CA -0.057 45.041 45.100 -0.003 0.000 0.724 306 G HN 0.364 nan 8.290 nan 0.000 0.514 307 M N 0.300 119.897 119.600 -0.004 0.000 2.249 307 M HA 0.547 5.016 4.480 -0.019 0.000 0.351 307 M C 0.347 176.644 176.300 -0.005 0.000 1.180 307 M CA 0.011 55.308 55.300 -0.005 0.000 1.127 307 M CB 0.923 33.519 32.600 -0.007 0.000 1.546 307 M HN 0.253 nan 8.290 nan 0.000 0.461 308 E N 1.672 121.868 120.200 -0.006 0.000 2.235 308 E HA 0.341 4.680 4.350 -0.019 0.000 0.265 308 E C 0.205 176.801 176.600 -0.008 0.000 0.940 308 E CA -0.713 55.684 56.400 -0.005 0.000 0.819 308 E CB 2.036 31.734 29.700 -0.005 0.000 1.206 308 E HN 0.657 nan 8.360 nan 0.000 0.409 309 L N 1.201 122.420 121.223 -0.007 0.000 2.291 309 L HA -0.148 4.180 4.340 -0.019 0.000 0.214 309 L C 1.572 178.434 176.870 -0.013 0.000 1.120 309 L CA 1.114 55.949 54.840 -0.009 0.000 0.799 309 L CB -0.127 41.928 42.059 -0.005 0.000 0.925 309 L HN 0.590 nan 8.230 nan 0.000 0.446 310 E N 0.211 120.404 120.200 -0.011 0.000 2.072 310 E HA -0.127 4.212 4.350 -0.019 0.000 0.190 310 E C 1.021 177.611 176.600 -0.016 0.000 0.982 310 E CA 0.883 57.275 56.400 -0.013 0.000 0.803 310 E CB 0.068 29.762 29.700 -0.009 0.000 0.755 310 E HN 0.217 nan 8.360 nan 0.000 0.453 311 K N 0.650 121.041 120.400 -0.015 0.000 3.226 311 K HA 0.363 4.671 4.320 -0.019 0.000 0.268 311 K C -0.779 175.809 176.600 -0.020 0.000 1.217 311 K CA -0.180 56.098 56.287 -0.016 0.000 1.242 311 K CB 0.557 33.050 32.500 -0.012 0.000 1.389 311 K HN -0.018 nan 8.250 nan 0.000 0.406 312 A N 1.147 123.951 122.820 -0.027 0.000 2.335 312 A HA 0.378 4.687 4.320 -0.019 0.000 0.304 312 A C 0.195 177.748 177.584 -0.051 0.000 1.118 312 A CA -0.677 51.339 52.037 -0.034 0.000 0.757 312 A CB 0.817 19.798 19.000 -0.032 0.000 1.188 312 A HN 0.287 nan 8.150 nan 0.000 0.460 313 T N -0.034 114.487 114.554 -0.056 0.000 2.880 313 T HA 0.527 4.866 4.350 -0.019 0.000 0.279 313 T C 1.269 175.896 174.700 -0.122 0.000 0.990 313 T CA -0.585 61.468 62.100 -0.078 0.000 0.938 313 T CB 0.208 69.042 68.868 -0.057 0.000 1.206 313 T HN 0.330 nan 8.240 nan 0.000 0.573 314 L N -0.094 121.027 121.223 -0.170 0.000 2.083 314 L HA -0.041 4.288 4.340 -0.019 0.000 0.209 314 L C 3.031 179.818 176.870 -0.138 0.000 1.083 314 L CA 1.681 56.348 54.840 -0.288 0.000 0.752 314 L CB -0.693 41.173 42.059 -0.321 0.000 0.899 314 L HN 0.862 nan 8.230 nan 0.000 0.433 315 E N 0.354 120.520 120.200 -0.056 0.000 2.147 315 E HA -0.280 4.059 4.350 -0.019 0.000 0.199 315 E C 1.554 178.159 176.600 0.008 0.000 1.005 315 E CA 1.663 58.062 56.400 -0.002 0.000 0.810 315 E CB 0.092 29.789 29.700 -0.005 0.000 0.736 315 E HN 0.443 nan 8.360 nan 0.000 0.460 316 D N -0.322 120.068 120.400 -0.017 0.000 2.310 316 D HA -0.075 4.553 4.640 -0.019 0.000 0.212 316 D C -0.080 176.230 176.300 0.016 0.000 0.965 316 D CA 0.432 54.429 54.000 -0.005 0.000 0.879 316 D CB 0.100 40.888 40.800 -0.020 0.000 0.921 316 D HN 0.116 nan 8.370 nan 0.000 0.510 317 L N 0.781 122.020 121.223 0.027 0.000 2.326 317 L HA 0.339 4.668 4.340 -0.019 0.000 0.278 317 L C 1.278 178.253 176.870 0.175 0.000 1.092 317 L CA -0.376 54.520 54.840 0.092 0.000 0.810 317 L CB 1.133 43.235 42.059 0.072 0.000 1.153 317 L HN -0.188 nan 8.230 nan 0.000 0.439 318 G N 2.056 110.940 108.800 0.141 0.000 2.599 318 G HA2 0.458 4.407 3.960 -0.019 0.000 0.264 318 G HA3 0.458 4.407 3.960 -0.019 0.000 0.264 318 G C -0.793 174.187 174.900 0.133 0.000 1.200 318 G CA -0.203 44.966 45.100 0.115 0.000 0.896 318 G HN 0.574 nan 8.290 nan 0.000 0.536 319 Q N -1.497 118.331 119.800 0.045 0.000 2.456 319 Q HA 0.630 4.959 4.340 -0.019 0.000 0.284 319 Q C -1.070 174.902 176.000 -0.047 0.000 1.061 319 Q CA -0.806 54.966 55.803 -0.052 0.000 0.799 319 Q CB 2.359 30.998 28.738 -0.166 0.000 1.445 319 Q HN 0.972 nan 8.270 nan 0.000 0.411 320 A N 1.369 124.145 122.820 -0.073 0.000 2.606 320 A HA 0.403 4.712 4.320 -0.019 0.000 0.293 320 A C -0.664 176.881 177.584 -0.064 0.000 1.082 320 A CA -0.614 51.394 52.037 -0.048 0.000 0.685 320 A CB 1.488 20.478 19.000 -0.017 0.000 1.284 320 A HN 0.776 nan 8.150 nan 0.000 0.408 321 K N -0.408 119.964 120.400 -0.047 0.000 2.217 321 K HA 0.050 4.359 4.320 -0.019 0.000 0.202 321 K C 0.483 177.060 176.600 -0.040 0.000 1.051 321 K CA 1.060 57.319 56.287 -0.047 0.000 0.952 321 K CB 0.164 32.643 32.500 -0.035 0.000 0.736 321 K HN 0.515 nan 8.250 nan 0.000 0.453 322 R N -0.114 120.367 120.500 -0.030 0.000 2.604 322 R HA 0.173 4.502 4.340 -0.019 0.000 0.261 322 R C -1.874 174.415 176.300 -0.019 0.000 1.080 322 R CA -0.478 55.608 56.100 -0.023 0.000 0.917 322 R CB 2.051 32.340 30.300 -0.018 0.000 1.252 322 R HN -0.030 nan 8.270 nan 0.000 0.456 323 V N 0.138 120.042 119.914 -0.018 0.000 2.876 323 V HA 0.880 4.989 4.120 -0.019 0.000 0.312 323 V C -1.428 174.653 176.094 -0.022 0.000 1.085 323 V CA -0.614 61.673 62.300 -0.022 0.000 0.945 323 V CB 2.355 34.168 31.823 -0.016 0.000 1.017 323 V HN 0.415 nan 8.190 nan 0.000 0.428 324 V N 5.755 125.646 119.914 -0.037 0.000 2.524 324 V HA 0.563 4.672 4.120 -0.019 0.000 0.297 324 V C -0.310 175.757 176.094 -0.045 0.000 1.035 324 V CA -0.342 61.943 62.300 -0.025 0.000 0.867 324 V CB 1.511 33.323 31.823 -0.019 0.000 1.004 324 V HN 0.958 nan 8.190 nan 0.000 0.426 325 I N 1.373 121.944 120.570 0.001 0.000 2.530 325 I HA 0.706 4.864 4.170 -0.019 0.000 0.297 325 I C -0.548 175.615 176.117 0.077 0.000 1.011 325 I CA -0.549 60.753 61.300 0.003 0.000 1.107 325 I CB 2.118 40.137 38.000 0.032 0.000 1.285 325 I HN 0.395 nan 8.210 nan 0.000 0.436 326 N N 3.290 121.963 118.700 -0.046 0.000 2.671 326 N HA 0.303 5.032 4.740 -0.019 0.000 0.303 326 N C 0.753 175.995 175.510 -0.447 0.000 1.277 326 N CA -0.698 52.301 53.050 -0.084 0.000 0.933 326 N CB 1.743 40.151 38.487 -0.131 0.000 1.190 326 N HN 0.622 nan 8.380 nan 0.000 0.600 327 K N -0.164 119.984 120.400 -0.419 0.000 2.113 327 K HA -0.175 4.134 4.320 -0.019 0.000 0.208 327 K C -0.596 175.712 176.600 -0.486 0.000 1.047 327 K CA 1.986 57.884 56.287 -0.648 0.000 0.928 327 K CB -0.010 32.364 32.500 -0.210 0.000 0.716 327 K HN 0.611 nan 8.250 nan 0.000 0.446 328 D N -1.269 118.959 120.400 -0.288 0.000 2.760 328 D HA 0.136 4.765 4.640 -0.019 0.000 0.314 328 D C -0.788 175.416 176.300 -0.161 0.000 1.464 328 D CA -0.419 53.465 54.000 -0.193 0.000 0.797 328 D CB 1.033 41.761 40.800 -0.120 0.000 1.149 328 D HN -0.172 nan 8.370 nan 0.000 0.455 329 T N -0.518 113.915 114.554 -0.201 0.000 3.012 329 T HA 0.579 4.917 4.350 -0.019 0.000 0.330 329 T C -1.426 173.097 174.700 -0.295 0.000 1.321 329 T CA -0.369 61.599 62.100 -0.220 0.000 1.067 329 T CB 2.006 70.772 68.868 -0.169 0.000 1.235 329 T HN -0.084 nan 8.240 nan 0.000 0.479 330 T N 2.213 116.465 114.554 -0.504 0.000 2.879 330 T HA 0.647 4.986 4.350 -0.019 0.000 0.290 330 T C -0.655 173.697 174.700 -0.580 0.000 0.993 330 T CA -0.587 61.149 62.100 -0.607 0.000 0.975 330 T CB 1.488 69.746 68.868 -1.018 0.000 0.981 330 T HN 0.670 nan 8.240 nan 0.000 0.439 331 T N 3.078 117.454 114.554 -0.297 0.000 2.841 331 T HA 0.693 5.032 4.350 -0.019 0.000 0.285 331 T C -0.697 173.948 174.700 -0.091 0.000 0.991 331 T CA -0.698 61.294 62.100 -0.180 0.000 0.966 331 T CB 0.268 69.067 68.868 -0.115 0.000 0.962 331 T HN 0.477 nan 8.240 nan 0.000 0.438 332 I N 5.516 126.065 120.570 -0.034 0.000 2.321 332 I HA 0.452 4.611 4.170 -0.019 0.000 0.291 332 I C -0.435 175.686 176.117 0.007 0.000 0.998 332 I CA -0.859 60.446 61.300 0.009 0.000 1.227 332 I CB 1.285 39.326 38.000 0.069 0.000 1.368 332 I HN 0.601 nan 8.210 nan 0.000 0.466 333 I N 5.982 126.550 120.570 -0.003 0.000 2.389 333 I HA 0.303 4.462 4.170 -0.019 0.000 0.288 333 I C -0.612 175.500 176.117 -0.007 0.000 0.999 333 I CA -0.433 60.864 61.300 -0.005 0.000 1.129 333 I CB 1.313 39.307 38.000 -0.010 0.000 1.288 333 I HN 0.517 nan 8.210 nan 0.000 0.444 334 D N 4.870 125.267 120.400 -0.004 0.000 3.515 334 D HA -0.107 4.522 4.640 -0.019 0.000 0.247 334 D C 0.055 176.349 176.300 -0.010 0.000 1.084 334 D CA 0.844 54.839 54.000 -0.008 0.000 1.030 334 D CB -0.245 40.547 40.800 -0.013 0.000 0.946 334 D HN 0.826 nan 8.370 nan 0.000 0.420 335 G N 0.437 109.236 108.800 -0.002 0.000 2.415 335 G HA2 0.419 4.368 3.960 -0.019 0.000 0.269 335 G HA3 0.419 4.368 3.960 -0.019 0.000 0.269 335 G C 1.431 176.328 174.900 -0.004 0.000 1.209 335 G CA -0.400 44.700 45.100 0.000 0.000 0.835 335 G HN 0.275 nan 8.290 nan 0.000 0.534 336 V N 2.685 122.594 119.914 -0.008 0.000 2.759 336 V HA -0.017 4.092 4.120 -0.019 0.000 0.256 336 V C 2.243 178.338 176.094 0.001 0.000 1.080 336 V CA 1.040 63.335 62.300 -0.008 0.000 1.101 336 V CB -1.275 30.540 31.823 -0.013 0.000 0.698 336 V HN 0.833 nan 8.190 nan 0.000 0.477 337 G N 0.722 109.525 108.800 0.006 0.000 2.349 337 G HA2 -0.020 3.929 3.960 -0.019 0.000 0.232 337 G HA3 -0.020 3.929 3.960 -0.019 0.000 0.232 337 G C -0.078 174.825 174.900 0.005 0.000 1.240 337 G CA -0.133 44.971 45.100 0.008 0.000 0.870 337 G HN 0.529 nan 8.290 nan 0.000 0.528 338 E N 1.037 121.240 120.200 0.005 0.000 2.354 338 E HA 0.052 4.391 4.350 -0.019 0.000 0.269 338 E C 1.037 177.638 176.600 0.001 0.000 1.036 338 E CA -0.374 56.027 56.400 0.003 0.000 0.876 338 E CB 1.112 30.814 29.700 0.003 0.000 1.009 338 E HN 0.618 nan 8.360 nan 0.000 0.416 339 E N 1.802 122.002 120.200 0.001 0.000 2.118 339 E HA -0.251 4.088 4.350 -0.019 0.000 0.195 339 E C 1.820 178.420 176.600 -0.001 0.000 0.992 339 E CA 1.227 57.627 56.400 -0.000 0.000 0.804 339 E CB -0.110 29.590 29.700 -0.001 0.000 0.741 339 E HN 0.585 nan 8.360 nan 0.000 0.458 340 A N 1.865 124.685 122.820 -0.001 0.000 1.877 340 A HA -0.079 4.229 4.320 -0.019 0.000 0.216 340 A C 2.490 180.074 177.584 -0.002 0.000 1.186 340 A CA 1.894 53.931 52.037 -0.001 0.000 0.620 340 A CB -0.639 18.360 19.000 -0.001 0.000 0.822 340 A HN 0.284 nan 8.150 nan 0.000 0.443 341 A N -0.266 122.554 122.820 -0.001 0.000 1.902 341 A HA -0.104 4.205 4.320 -0.019 0.000 0.217 341 A C 2.139 179.721 177.584 -0.003 0.000 1.181 341 A CA 1.635 53.671 52.037 -0.001 0.000 0.623 341 A CB -0.616 18.384 19.000 0.000 0.000 0.818 341 A HN 0.485 nan 8.150 nan 0.000 0.443 342 I N -0.980 119.589 120.570 -0.002 0.000 2.179 342 I HA -0.248 3.911 4.170 -0.019 0.000 0.242 342 I C 2.754 178.869 176.117 -0.004 0.000 1.088 342 I CA 1.266 62.564 61.300 -0.002 0.000 1.357 342 I CB -0.195 37.805 38.000 -0.000 0.000 1.051 342 I HN 0.252 nan 8.210 nan 0.000 0.409 343 Q N 0.621 120.419 119.800 -0.003 0.000 2.084 343 Q HA -0.143 4.186 4.340 -0.019 0.000 0.202 343 Q C 2.253 178.250 176.000 -0.006 0.000 0.978 343 Q CA 1.870 57.671 55.803 -0.004 0.000 0.844 343 Q CB -0.906 27.829 28.738 -0.003 0.000 0.898 343 Q HN 0.570 nan 8.270 nan 0.000 0.426 344 G N -0.072 108.724 108.800 -0.006 0.000 2.418 344 G HA2 -0.298 3.651 3.960 -0.019 0.000 0.217 344 G HA3 -0.298 3.651 3.960 -0.019 0.000 0.217 344 G C 1.630 176.524 174.900 -0.009 0.000 1.158 344 G CA 0.866 45.962 45.100 -0.007 0.000 0.771 344 G HN 0.338 nan 8.290 nan 0.000 0.545 345 R N -0.156 120.338 120.500 -0.010 0.000 2.120 345 R HA 0.007 4.336 4.340 -0.019 0.000 0.234 345 R C 2.525 178.816 176.300 -0.014 0.000 1.123 345 R CA 1.201 57.294 56.100 -0.013 0.000 0.975 345 R CB -0.428 29.864 30.300 -0.014 0.000 0.866 345 R HN 0.235 nan 8.270 nan 0.000 0.446 346 V N 0.438 120.344 119.914 -0.012 0.000 2.307 346 V HA -0.162 3.946 4.120 -0.019 0.000 0.245 346 V C 2.319 178.405 176.094 -0.013 0.000 1.045 346 V CA 1.867 64.159 62.300 -0.013 0.000 1.024 346 V CB -0.681 31.136 31.823 -0.010 0.000 0.651 346 V HN 0.554 nan 8.190 nan 0.000 0.449 347 A N -1.232 121.581 122.820 -0.011 0.000 1.933 347 A HA -0.297 4.011 4.320 -0.019 0.000 0.218 347 A C 2.198 179.775 177.584 -0.012 0.000 1.175 347 A CA 2.029 54.059 52.037 -0.011 0.000 0.628 347 A CB -0.492 18.503 19.000 -0.008 0.000 0.814 347 A HN 0.602 nan 8.150 nan 0.000 0.444 348 Q N -0.597 119.195 119.800 -0.013 0.000 2.020 348 Q HA -0.138 4.191 4.340 -0.019 0.000 0.202 348 Q C 2.076 178.065 176.000 -0.018 0.000 0.982 348 Q CA 1.710 57.504 55.803 -0.015 0.000 0.838 348 Q CB -0.245 28.484 28.738 -0.016 0.000 0.899 348 Q HN 0.760 nan 8.270 nan 0.000 0.423 349 I N -0.115 120.442 120.570 -0.021 0.000 2.226 349 I HA -0.278 3.881 4.170 -0.019 0.000 0.245 349 I C 2.441 178.544 176.117 -0.024 0.000 1.100 349 I CA 0.984 62.269 61.300 -0.026 0.000 1.374 349 I CB -0.248 37.735 38.000 -0.030 0.000 1.057 349 I HN 0.134 nan 8.210 nan 0.000 0.413 350 R N 0.330 120.818 120.500 -0.020 0.000 2.193 350 R HA -0.162 4.167 4.340 -0.019 0.000 0.229 350 R C 2.263 178.553 176.300 -0.016 0.000 1.110 350 R CA 1.055 57.144 56.100 -0.018 0.000 0.988 350 R CB 0.039 30.330 30.300 -0.014 0.000 0.871 350 R HN 0.429 nan 8.270 nan 0.000 0.458 351 Q N -0.429 119.361 119.800 -0.016 0.000 2.250 351 Q HA -0.085 4.244 4.340 -0.019 0.000 0.200 351 Q C 1.836 177.827 176.000 -0.015 0.000 0.941 351 Q CA 0.851 56.646 55.803 -0.014 0.000 0.872 351 Q CB 0.398 29.128 28.738 -0.012 0.000 0.965 351 Q HN 0.549 nan 8.270 nan 0.000 0.480 352 Q N 0.227 120.015 119.800 -0.019 0.000 2.167 352 Q HA -0.076 4.253 4.340 -0.019 0.000 0.202 352 Q C 2.040 178.027 176.000 -0.021 0.000 0.970 352 Q CA 0.803 56.594 55.803 -0.021 0.000 0.855 352 Q CB -0.184 28.538 28.738 -0.026 0.000 0.911 352 Q HN 0.377 nan 8.270 nan 0.000 0.438 353 I N 1.442 121.998 120.570 -0.023 0.000 2.335 353 I HA -0.241 3.918 4.170 -0.019 0.000 0.251 353 I C 2.004 178.112 176.117 -0.016 0.000 1.129 353 I CA 0.951 62.237 61.300 -0.023 0.000 1.402 353 I CB -0.207 37.779 38.000 -0.024 0.000 1.069 353 I HN 0.113 nan 8.210 nan 0.000 0.424 354 E N 1.034 121.226 120.200 -0.013 0.000 2.150 354 E HA -0.185 4.154 4.350 -0.019 0.000 0.193 354 E C 1.472 178.067 176.600 -0.007 0.000 0.985 354 E CA 1.153 57.548 56.400 -0.009 0.000 0.814 354 E CB -0.151 29.544 29.700 -0.008 0.000 0.752 354 E HN 0.643 nan 8.360 nan 0.000 0.466 355 E N -0.238 119.957 120.200 -0.008 0.000 2.526 355 E HA 0.331 4.670 4.350 -0.019 0.000 0.208 355 E C 0.074 176.672 176.600 -0.004 0.000 0.997 355 E CA 0.041 56.438 56.400 -0.006 0.000 0.961 355 E CB 0.808 30.505 29.700 -0.006 0.000 1.030 355 E HN 0.037 nan 8.360 nan 0.000 0.483 356 A N 1.665 124.481 122.820 -0.007 0.000 2.548 356 A HA 0.102 4.411 4.320 -0.019 0.000 0.247 356 A C 1.084 178.671 177.584 0.005 0.000 1.067 356 A CA 0.420 52.456 52.037 -0.003 0.000 0.757 356 A CB -0.124 18.870 19.000 -0.010 0.000 0.996 356 A HN 0.253 nan 8.150 nan 0.000 0.504 357 T N -0.484 114.077 114.554 0.012 0.000 3.176 357 T HA 0.424 4.763 4.350 -0.019 0.000 0.263 357 T C 0.324 175.038 174.700 0.023 0.000 1.021 357 T CA 0.330 62.438 62.100 0.014 0.000 0.905 357 T CB -0.364 68.511 68.868 0.012 0.000 1.057 357 T HN 1.038 nan 8.240 nan 0.000 0.558 358 S N -0.377 115.342 115.700 0.032 0.000 2.540 358 S HA 0.343 4.802 4.470 -0.019 0.000 0.275 358 S C 0.049 174.683 174.600 0.057 0.000 1.123 358 S CA -0.601 57.630 58.200 0.052 0.000 0.907 358 S CB 1.754 65.001 63.200 0.078 0.000 1.081 358 S HN 0.001 nan 8.310 nan 0.000 0.476 359 D N 1.742 122.180 120.400 0.064 0.000 2.106 359 D HA -0.157 4.472 4.640 -0.019 0.000 0.191 359 D C 1.368 177.713 176.300 0.075 0.000 0.997 359 D CA 1.947 55.983 54.000 0.061 0.000 0.834 359 D CB -0.300 40.541 40.800 0.069 0.000 0.956 359 D HN 0.744 nan 8.370 nan 0.000 0.448 360 Y N 2.135 122.434 120.300 -0.001 0.000 2.128 360 Y HA -0.219 4.320 4.550 -0.019 0.000 0.284 360 Y C 1.969 177.863 175.900 -0.010 0.000 1.154 360 Y CA 1.860 59.958 58.100 -0.002 0.000 1.149 360 Y CB -0.185 38.276 38.460 0.002 0.000 0.976 360 Y HN -0.072 nan 8.280 nan 0.000 0.505 361 D N -0.243 120.167 120.400 0.017 0.000 2.123 361 D HA -0.196 4.432 4.640 -0.019 0.000 0.196 361 D C 2.265 178.492 176.300 -0.121 0.000 0.992 361 D CA 1.312 55.270 54.000 -0.070 0.000 0.833 361 D CB -0.328 40.477 40.800 0.010 0.000 0.954 361 D HN 0.392 nan 8.370 nan 0.000 0.455 362 R N 0.780 121.235 120.500 -0.074 0.000 2.082 362 R HA -0.147 4.182 4.340 -0.019 0.000 0.234 362 R C 2.326 178.566 176.300 -0.101 0.000 1.136 362 R CA 1.472 57.532 56.100 -0.067 0.000 0.935 362 R CB -0.032 30.248 30.300 -0.033 0.000 0.842 362 R HN 0.291 nan 8.270 nan 0.000 0.430 363 E N 0.377 120.501 120.200 -0.126 0.000 2.070 363 E HA -0.232 4.107 4.350 -0.019 0.000 0.197 363 E C 1.961 178.453 176.600 -0.180 0.000 1.004 363 E CA 0.952 57.271 56.400 -0.134 0.000 0.805 363 E CB -0.139 29.486 29.700 -0.124 0.000 0.744 363 E HN 0.122 nan 8.360 nan 0.000 0.451 364 K N 0.969 121.189 120.400 -0.299 0.000 2.103 364 K HA -0.088 4.221 4.320 -0.019 0.000 0.207 364 K C 2.266 178.766 176.600 -0.167 0.000 1.048 364 K CA 0.873 56.989 56.287 -0.285 0.000 0.930 364 K CB -0.546 31.701 32.500 -0.422 0.000 0.716 364 K HN 0.186 nan 8.250 nan 0.000 0.444 365 L N 0.355 121.495 121.223 -0.139 0.000 2.007 365 L HA -0.164 4.165 4.340 -0.019 0.000 0.205 365 L C 2.549 179.376 176.870 -0.071 0.000 1.073 365 L CA 1.173 55.958 54.840 -0.091 0.000 0.744 365 L CB -0.476 41.538 42.059 -0.074 0.000 0.898 365 L HN 0.161 nan 8.230 nan 0.000 0.435 366 Q N -0.025 119.735 119.800 -0.068 0.000 2.173 366 Q HA -0.286 4.043 4.340 -0.019 0.000 0.208 366 Q C 2.117 178.090 176.000 -0.045 0.000 0.989 366 Q CA 1.920 57.693 55.803 -0.049 0.000 0.872 366 Q CB -0.086 28.625 28.738 -0.045 0.000 0.909 366 Q HN 0.484 nan 8.270 nan 0.000 0.420 367 E N -0.359 119.807 120.200 -0.057 0.000 2.150 367 E HA -0.132 4.207 4.350 -0.019 0.000 0.193 367 E C 2.001 178.580 176.600 -0.035 0.000 0.985 367 E CA 0.529 56.903 56.400 -0.044 0.000 0.814 367 E CB 0.108 29.775 29.700 -0.054 0.000 0.752 367 E HN 0.231 nan 8.360 nan 0.000 0.466 368 R N 0.344 120.816 120.500 -0.048 0.000 2.073 368 R HA -0.099 4.230 4.340 -0.019 0.000 0.229 368 R C 2.632 178.916 176.300 -0.027 0.000 1.120 368 R CA 1.445 57.521 56.100 -0.040 0.000 0.967 368 R CB -0.365 29.902 30.300 -0.054 0.000 0.862 368 R HN 0.197 nan 8.270 nan 0.000 0.436 369 V N -1.569 118.328 119.914 -0.029 0.000 2.358 369 V HA -0.086 4.023 4.120 -0.019 0.000 0.246 369 V C 2.376 178.462 176.094 -0.013 0.000 1.047 369 V CA 1.658 63.946 62.300 -0.020 0.000 1.035 369 V CB -1.109 30.701 31.823 -0.021 0.000 0.658 369 V HN 0.208 nan 8.190 nan 0.000 0.452 370 A N 0.723 123.535 122.820 -0.014 0.000 1.917 370 A HA -0.259 4.050 4.320 -0.019 0.000 0.219 370 A C 2.348 179.932 177.584 0.000 0.000 1.182 370 A CA 2.567 54.600 52.037 -0.007 0.000 0.633 370 A CB -0.620 18.375 19.000 -0.008 0.000 0.819 370 A HN 0.637 nan 8.150 nan 0.000 0.448 371 K N -1.289 119.113 120.400 0.004 0.000 2.007 371 K HA -0.016 4.293 4.320 -0.019 0.000 0.206 371 K C 1.945 178.555 176.600 0.017 0.000 1.047 371 K CA 1.118 57.416 56.287 0.018 0.000 0.937 371 K CB -0.298 32.221 32.500 0.032 0.000 0.718 371 K HN 0.311 nan 8.250 nan 0.000 0.438 372 L N 0.925 122.152 121.223 0.008 0.000 1.988 372 L HA -0.052 4.276 4.340 -0.019 0.000 0.207 372 L C 2.028 178.900 176.870 0.004 0.000 1.071 372 L CA 1.859 56.703 54.840 0.006 0.000 0.744 372 L CB -1.037 41.021 42.059 -0.003 0.000 0.893 372 L HN 0.142 nan 8.230 nan 0.000 0.433 373 A N -1.397 121.423 122.820 -0.000 0.000 2.239 373 A HA 0.174 4.483 4.320 -0.019 0.000 0.209 373 A C 2.067 179.652 177.584 0.001 0.000 1.171 373 A CA 0.919 52.955 52.037 -0.001 0.000 0.768 373 A CB -0.959 18.038 19.000 -0.004 0.000 0.790 373 A HN 0.500 nan 8.150 nan 0.000 0.478 374 G N -1.150 107.652 108.800 0.003 0.000 2.595 374 G HA2 0.400 4.349 3.960 -0.019 0.000 0.213 374 G HA3 0.400 4.349 3.960 -0.019 0.000 0.213 374 G C 1.102 176.005 174.900 0.005 0.000 1.141 374 G CA 0.598 45.700 45.100 0.004 0.000 0.806 374 G HN 1.479 nan 8.290 nan 0.000 0.530 375 G N -1.048 107.757 108.800 0.007 0.000 2.601 375 G HA2 -0.066 3.883 3.960 -0.019 0.000 0.261 375 G HA3 -0.066 3.883 3.960 -0.019 0.000 0.261 375 G C -0.510 174.394 174.900 0.007 0.000 1.289 375 G CA 0.002 45.107 45.100 0.008 0.000 0.920 375 G HN 1.076 nan 8.290 nan 0.000 0.571 376 V N 0.049 119.966 119.914 0.005 0.000 2.686 376 V HA 0.716 4.825 4.120 -0.019 0.000 0.306 376 V C 0.586 176.681 176.094 0.002 0.000 1.065 376 V CA -0.112 62.190 62.300 0.003 0.000 0.894 376 V CB 1.499 33.324 31.823 0.002 0.000 1.004 376 V HN 2.082 nan 8.190 nan 0.000 0.424 377 A N 4.282 127.103 122.820 0.003 0.000 2.309 377 A HA 0.725 5.034 4.320 -0.019 0.000 0.290 377 A C -0.419 177.167 177.584 0.003 0.000 1.206 377 A CA -0.335 51.704 52.037 0.003 0.000 0.850 377 A CB 0.678 19.681 19.000 0.004 0.000 1.118 377 A HN 0.757 nan 8.150 nan 0.000 0.523 378 V N 5.058 124.973 119.914 0.001 0.000 2.350 378 V HA 0.229 4.338 4.120 -0.019 0.000 0.276 378 V C 0.059 176.153 176.094 -0.000 0.000 1.028 378 V CA -0.122 62.178 62.300 -0.000 0.000 0.860 378 V CB 0.900 32.722 31.823 -0.002 0.000 0.990 378 V HN 0.721 nan 8.190 nan 0.000 0.453 379 I N 6.568 127.138 120.570 0.001 0.000 2.301 379 I HA 0.296 4.454 4.170 -0.019 0.000 0.292 379 I C 0.315 176.430 176.117 -0.003 0.000 1.046 379 I CA -0.422 60.878 61.300 -0.001 0.000 1.282 379 I CB 0.604 38.604 38.000 -0.000 0.000 1.409 379 I HN 0.515 nan 8.210 nan 0.000 0.484 380 K N 6.753 127.151 120.400 -0.004 0.000 2.253 380 K HA 0.417 4.726 4.320 -0.019 0.000 0.277 380 K C -0.605 175.992 176.600 -0.006 0.000 1.053 380 K CA -0.642 55.641 56.287 -0.005 0.000 0.892 380 K CB 1.888 34.385 32.500 -0.005 0.000 1.102 380 K HN 0.262 nan 8.250 nan 0.000 0.469 381 V N 2.505 122.414 119.914 -0.007 0.000 2.461 381 V HA 0.267 4.376 4.120 -0.019 0.000 0.275 381 V C 0.865 176.955 176.094 -0.007 0.000 1.047 381 V CA -0.471 61.824 62.300 -0.008 0.000 0.955 381 V CB 1.113 32.930 31.823 -0.011 0.000 0.988 381 V HN 0.902 nan 8.190 nan 0.000 0.471 382 G N 2.918 111.714 108.800 -0.007 0.000 2.417 382 G HA2 0.839 4.788 3.960 -0.019 0.000 0.334 382 G HA3 0.839 4.788 3.960 -0.019 0.000 0.334 382 G C -0.473 174.424 174.900 -0.006 0.000 1.150 382 G CA 0.147 45.244 45.100 -0.006 0.000 0.923 382 G HN 1.169 nan 8.290 nan 0.000 0.485 383 A N -0.414 122.402 122.820 -0.006 0.000 2.506 383 A HA 0.823 5.132 4.320 -0.019 0.000 0.305 383 A C 0.772 178.354 177.584 -0.005 0.000 1.166 383 A CA 0.473 52.507 52.037 -0.006 0.000 0.638 383 A CB 0.358 19.355 19.000 -0.006 0.000 1.336 383 A HN 1.752 nan 8.150 nan 0.000 0.493 384 A N -1.003 121.815 122.820 -0.004 0.000 1.956 384 A HA 0.488 4.797 4.320 -0.019 0.000 0.212 384 A C 1.107 178.689 177.584 -0.003 0.000 1.188 384 A CA 2.089 54.124 52.037 -0.004 0.000 0.675 384 A CB -0.452 18.546 19.000 -0.004 0.000 0.845 384 A HN 1.796 nan 8.150 nan 0.000 0.455 385 T N -3.913 110.639 114.554 -0.004 0.000 2.916 385 T HA 0.467 4.806 4.350 -0.019 0.000 0.292 385 T C 0.495 175.193 174.700 -0.003 0.000 1.064 385 T CA 0.033 62.131 62.100 -0.003 0.000 1.011 385 T CB 1.913 70.779 68.868 -0.003 0.000 1.152 385 T HN 0.221 nan 8.240 nan 0.000 0.510 386 E N 0.057 120.255 120.200 -0.003 0.000 2.085 386 E HA -0.169 4.170 4.350 -0.019 0.000 0.194 386 E C 1.906 178.505 176.600 -0.003 0.000 0.994 386 E CA 1.654 58.052 56.400 -0.003 0.000 0.801 386 E CB -0.312 29.388 29.700 -0.001 0.000 0.743 386 E HN 0.548 nan 8.360 nan 0.000 0.453 387 V N 0.912 120.825 119.914 -0.003 0.000 2.287 387 V HA -0.274 3.834 4.120 -0.019 0.000 0.248 387 V C 2.139 178.230 176.094 -0.005 0.000 1.053 387 V CA 2.348 64.646 62.300 -0.003 0.000 1.027 387 V CB -0.745 31.077 31.823 -0.002 0.000 0.646 387 V HN 0.257 nan 8.190 nan 0.000 0.447 388 E N -0.531 119.665 120.200 -0.005 0.000 2.106 388 E HA -0.178 4.161 4.350 -0.019 0.000 0.192 388 E C 2.188 178.784 176.600 -0.008 0.000 0.984 388 E CA 1.187 57.583 56.400 -0.007 0.000 0.806 388 E CB -0.217 29.479 29.700 -0.006 0.000 0.750 388 E HN 0.446 nan 8.360 nan 0.000 0.458 389 M N 1.006 120.602 119.600 -0.007 0.000 2.067 389 M HA -0.190 4.279 4.480 -0.019 0.000 0.260 389 M C 1.776 178.070 176.300 -0.010 0.000 1.069 389 M CA 1.616 56.911 55.300 -0.008 0.000 1.117 389 M CB -0.167 32.429 32.600 -0.007 0.000 1.334 389 M HN -0.109 nan 8.290 nan 0.000 0.407 390 K N 0.338 120.733 120.400 -0.009 0.000 2.209 390 K HA -0.152 4.157 4.320 -0.019 0.000 0.204 390 K C 1.813 178.404 176.600 -0.014 0.000 1.048 390 K CA 1.342 57.622 56.287 -0.011 0.000 0.940 390 K CB -0.256 32.240 32.500 -0.008 0.000 0.729 390 K HN 0.569 nan 8.250 nan 0.000 0.451 391 E N 0.391 120.583 120.200 -0.013 0.000 2.076 391 E HA -0.117 4.222 4.350 -0.019 0.000 0.190 391 E C 2.025 178.613 176.600 -0.019 0.000 0.979 391 E CA 0.817 57.208 56.400 -0.015 0.000 0.807 391 E CB 0.073 29.765 29.700 -0.013 0.000 0.761 391 E HN 0.156 nan 8.360 nan 0.000 0.454 392 K N 1.421 121.811 120.400 -0.017 0.000 2.057 392 K HA -0.191 4.117 4.320 -0.019 0.000 0.207 392 K C 2.147 178.734 176.600 -0.023 0.000 1.049 392 K CA 1.213 57.489 56.287 -0.018 0.000 0.931 392 K CB 0.063 32.555 32.500 -0.014 0.000 0.714 392 K HN -0.116 nan 8.250 nan 0.000 0.440 393 K N 0.104 120.490 120.400 -0.022 0.000 2.032 393 K HA -0.174 4.134 4.320 -0.019 0.000 0.209 393 K C 1.941 178.517 176.600 -0.039 0.000 1.048 393 K CA 1.494 57.765 56.287 -0.026 0.000 0.927 393 K CB -0.197 32.290 32.500 -0.022 0.000 0.712 393 K HN 0.208 nan 8.250 nan 0.000 0.441 394 A N 1.172 123.969 122.820 -0.039 0.000 1.933 394 A HA -0.138 4.171 4.320 -0.019 0.000 0.218 394 A C 2.105 179.652 177.584 -0.062 0.000 1.175 394 A CA 1.265 53.271 52.037 -0.053 0.000 0.628 394 A CB -0.414 18.561 19.000 -0.042 0.000 0.814 394 A HN 0.314 nan 8.150 nan 0.000 0.444 395 R N -0.742 119.730 120.500 -0.045 0.000 2.066 395 R HA -0.077 4.251 4.340 -0.019 0.000 0.232 395 R C 2.113 178.383 176.300 -0.049 0.000 1.131 395 R CA 1.514 57.588 56.100 -0.043 0.000 0.955 395 R CB -0.505 29.777 30.300 -0.029 0.000 0.851 395 R HN 0.381 nan 8.270 nan 0.000 0.432 396 V N 1.160 121.047 119.914 -0.044 0.000 2.255 396 V HA -0.287 3.821 4.120 -0.019 0.000 0.247 396 V C 2.015 178.069 176.094 -0.065 0.000 1.051 396 V CA 1.978 64.254 62.300 -0.040 0.000 1.018 396 V CB -0.479 31.327 31.823 -0.028 0.000 0.641 396 V HN 0.380 nan 8.190 nan 0.000 0.445 397 E N -0.119 120.023 120.200 -0.097 0.000 2.048 397 E HA -0.288 4.051 4.350 -0.019 0.000 0.202 397 E C 2.012 178.421 176.600 -0.319 0.000 1.021 397 E CA 1.890 58.175 56.400 -0.191 0.000 0.825 397 E CB -0.245 29.338 29.700 -0.195 0.000 0.756 397 E HN 0.611 nan 8.360 nan 0.000 0.454 398 D N -0.076 120.185 120.400 -0.232 0.000 2.106 398 D HA -0.198 4.431 4.640 -0.019 0.000 0.191 398 D C 1.852 178.100 176.300 -0.088 0.000 0.997 398 D CA 1.573 55.466 54.000 -0.178 0.000 0.834 398 D CB -0.487 40.255 40.800 -0.096 0.000 0.956 398 D HN 0.237 nan 8.370 nan 0.000 0.448 399 A N 0.469 123.256 122.820 -0.055 0.000 1.933 399 A HA -0.146 4.163 4.320 -0.019 0.000 0.218 399 A C 2.173 179.765 177.584 0.014 0.000 1.175 399 A CA 1.082 53.110 52.037 -0.015 0.000 0.628 399 A CB -0.705 18.286 19.000 -0.016 0.000 0.814 399 A HN 0.247 nan 8.150 nan 0.000 0.444 400 L N -0.394 120.836 121.223 0.012 0.000 2.017 400 L HA -0.192 4.137 4.340 -0.019 0.000 0.208 400 L C 2.332 179.307 176.870 0.175 0.000 1.073 400 L CA 2.414 57.300 54.840 0.077 0.000 0.745 400 L CB -0.835 41.275 42.059 0.085 0.000 0.894 400 L HN 0.594 nan 8.230 nan 0.000 0.432 401 H N -1.102 117.966 119.070 -0.004 0.000 2.321 401 H HA -0.107 4.437 4.556 -0.019 0.000 0.300 401 H C 2.143 177.471 175.328 -0.000 0.000 1.087 401 H CA 0.727 56.773 56.048 -0.003 0.000 1.319 401 H CB -0.084 29.676 29.762 -0.004 0.000 1.379 401 H HN 0.547 nan 8.280 nan 0.000 0.501 402 A N 0.786 123.686 122.820 0.133 0.000 1.883 402 A HA -0.208 4.101 4.320 -0.019 0.000 0.217 402 A C 2.470 180.085 177.584 0.052 0.000 1.186 402 A CA 2.308 54.387 52.037 0.070 0.000 0.624 402 A CB -0.998 18.027 19.000 0.042 0.000 0.822 402 A HN 0.376 nan 8.150 nan 0.000 0.444 403 T N -0.816 113.768 114.554 0.049 0.000 2.777 403 T HA -0.102 4.237 4.350 -0.019 0.000 0.266 403 T C 2.133 176.851 174.700 0.031 0.000 1.040 403 T CA 1.168 63.288 62.100 0.033 0.000 1.141 403 T CB -0.257 68.628 68.868 0.028 0.000 0.868 403 T HN 0.291 nan 8.240 nan 0.000 0.444 404 R N 1.790 122.313 120.500 0.038 0.000 2.112 404 R HA -0.051 4.278 4.340 -0.019 0.000 0.242 404 R C 2.577 178.883 176.300 0.011 0.000 1.137 404 R CA 2.104 58.216 56.100 0.020 0.000 0.944 404 R CB -1.288 29.017 30.300 0.009 0.000 0.857 404 R HN 0.449 nan 8.270 nan 0.000 0.435 405 A N 0.029 122.859 122.820 0.017 0.000 1.933 405 A HA -0.066 4.243 4.320 -0.019 0.000 0.218 405 A C 2.352 179.945 177.584 0.015 0.000 1.175 405 A CA 2.030 54.075 52.037 0.014 0.000 0.628 405 A CB -0.717 18.296 19.000 0.022 0.000 0.814 405 A HN 0.439 nan 8.150 nan 0.000 0.444 406 A N -0.097 122.734 122.820 0.019 0.000 1.930 406 A HA 0.009 4.318 4.320 -0.019 0.000 0.217 406 A C 2.272 179.864 177.584 0.012 0.000 1.175 406 A CA 1.946 53.992 52.037 0.016 0.000 0.627 406 A CB -1.100 17.910 19.000 0.016 0.000 0.815 406 A HN 1.220 nan 8.150 nan 0.000 0.443 407 V N -2.318 117.602 119.914 0.011 0.000 3.041 407 V HA -0.094 4.015 4.120 -0.019 0.000 0.260 407 V C 1.668 177.766 176.094 0.007 0.000 1.105 407 V CA 2.135 64.440 62.300 0.009 0.000 1.125 407 V CB -0.601 31.226 31.823 0.008 0.000 0.730 407 V HN 0.581 nan 8.190 nan 0.000 0.479 408 E N 0.500 120.704 120.200 0.007 0.000 2.076 408 E HA -0.043 4.296 4.350 -0.019 0.000 0.190 408 E C 1.594 178.198 176.600 0.006 0.000 0.979 408 E CA 1.496 57.899 56.400 0.005 0.000 0.807 408 E CB 0.085 29.787 29.700 0.004 0.000 0.761 408 E HN 0.759 nan 8.360 nan 0.000 0.454 409 E N -0.978 119.226 120.200 0.008 0.000 2.753 409 E HA 0.199 4.537 4.350 -0.019 0.000 0.218 409 E C 0.131 176.737 176.600 0.010 0.000 0.956 409 E CA 0.118 56.523 56.400 0.008 0.000 1.244 409 E CB 1.671 31.376 29.700 0.008 0.000 1.114 409 E HN 0.234 nan 8.360 nan 0.000 0.530 410 G N 0.877 109.683 108.800 0.010 0.000 2.632 410 G HA2 -0.240 3.709 3.960 -0.019 0.000 0.224 410 G HA3 -0.240 3.709 3.960 -0.019 0.000 0.224 410 G C -0.729 174.179 174.900 0.013 0.000 1.341 410 G CA -0.298 44.809 45.100 0.011 0.000 0.880 410 G HN 0.133 nan 8.290 nan 0.000 0.566 411 V N -0.101 119.821 119.914 0.013 0.000 2.925 411 V HA 0.803 4.911 4.120 -0.019 0.000 0.311 411 V C 0.257 176.360 176.094 0.015 0.000 1.104 411 V CA 0.222 62.530 62.300 0.014 0.000 0.954 411 V CB 1.886 33.717 31.823 0.012 0.000 1.022 411 V HN 1.962 nan 8.190 nan 0.000 0.427 412 V N 1.915 121.839 119.914 0.016 0.000 3.159 412 V HA 0.948 5.057 4.120 -0.019 0.000 0.308 412 V C 0.102 176.206 176.094 0.018 0.000 1.190 412 V CA -0.966 61.345 62.300 0.018 0.000 1.037 412 V CB 1.488 33.323 31.823 0.019 0.000 1.060 412 V HN 1.367 nan 8.190 nan 0.000 0.437 413 A N 0.988 123.821 122.820 0.021 0.000 2.567 413 A HA 0.563 4.872 4.320 -0.019 0.000 0.240 413 A C 0.956 178.549 177.584 0.014 0.000 1.053 413 A CA 0.850 52.898 52.037 0.018 0.000 0.755 413 A CB -0.630 18.385 19.000 0.025 0.000 0.978 413 A HN 1.998 nan 8.150 nan 0.000 0.507 414 G N 0.937 109.740 108.800 0.005 0.000 2.504 414 G HA2 0.515 4.463 3.960 -0.019 0.000 0.257 414 G HA3 0.515 4.463 3.960 -0.019 0.000 0.257 414 G C 1.141 176.044 174.900 0.004 0.000 1.451 414 G CA -0.012 45.090 45.100 0.003 0.000 1.059 414 G HN 2.254 nan 8.290 nan 0.000 0.550 415 G N -1.741 107.060 108.800 0.001 0.000 2.379 415 G HA2 0.216 4.165 3.960 -0.019 0.000 0.297 415 G HA3 0.216 4.165 3.960 -0.019 0.000 0.297 415 G C 1.488 176.402 174.900 0.023 0.000 1.004 415 G CA 1.387 46.491 45.100 0.007 0.000 0.921 415 G HN 2.428 nan 8.290 nan 0.000 0.511 416 G N -3.145 105.669 108.800 0.023 0.000 2.205 416 G HA2 -0.268 3.681 3.960 -0.019 0.000 0.261 416 G HA3 -0.268 3.681 3.960 -0.019 0.000 0.261 416 G C 1.368 176.287 174.900 0.031 0.000 0.980 416 G CA 1.060 46.176 45.100 0.027 0.000 0.632 416 G HN 1.421 nan 8.290 nan 0.000 0.533 417 V N 0.942 120.874 119.914 0.031 0.000 2.379 417 V HA 0.076 4.185 4.120 -0.019 0.000 0.245 417 V C 3.225 179.343 176.094 0.039 0.000 1.044 417 V CA 2.795 65.118 62.300 0.038 0.000 1.036 417 V CB -0.995 30.847 31.823 0.032 0.000 0.664 417 V HN 0.901 nan 8.190 nan 0.000 0.453 418 A N -0.057 122.783 122.820 0.032 0.000 1.908 418 A HA -0.202 4.106 4.320 -0.019 0.000 0.218 418 A C 2.245 179.847 177.584 0.031 0.000 1.181 418 A CA 1.935 53.992 52.037 0.032 0.000 0.627 418 A CB -0.623 18.393 19.000 0.027 0.000 0.818 418 A HN 0.489 nan 8.150 nan 0.000 0.445 419 L N -0.934 120.306 121.223 0.028 0.000 2.013 419 L HA -0.198 4.131 4.340 -0.019 0.000 0.212 419 L C 2.529 179.416 176.870 0.028 0.000 1.073 419 L CA 1.764 56.620 54.840 0.026 0.000 0.753 419 L CB -0.341 41.733 42.059 0.024 0.000 0.890 419 L HN 0.494 nan 8.230 nan 0.000 0.432 420 I N -0.749 119.841 120.570 0.033 0.000 2.761 420 I HA -0.245 3.914 4.170 -0.019 0.000 0.261 420 I C 2.685 178.827 176.117 0.042 0.000 1.198 420 I CA 0.607 61.929 61.300 0.036 0.000 1.482 420 I CB 0.054 38.078 38.000 0.040 0.000 1.100 420 I HN 0.211 nan 8.210 nan 0.000 0.445 421 R N 0.629 121.157 120.500 0.046 0.000 2.057 421 R HA -0.148 4.181 4.340 -0.019 0.000 0.229 421 R C 2.287 178.610 176.300 0.039 0.000 1.136 421 R CA 2.209 58.340 56.100 0.052 0.000 0.952 421 R CB -0.648 29.686 30.300 0.057 0.000 0.848 421 R HN 0.371 nan 8.270 nan 0.000 0.430 422 V N -0.802 119.131 119.914 0.031 0.000 2.515 422 V HA -0.026 4.083 4.120 -0.019 0.000 0.250 422 V C 2.108 178.215 176.094 0.021 0.000 1.058 422 V CA 1.762 64.076 62.300 0.024 0.000 1.064 422 V CB -0.990 30.844 31.823 0.019 0.000 0.675 422 V HN 0.377 nan 8.190 nan 0.000 0.461 423 A N 1.767 124.600 122.820 0.022 0.000 1.908 423 A HA -0.171 4.138 4.320 -0.019 0.000 0.218 423 A C 2.564 180.160 177.584 0.020 0.000 1.181 423 A CA 2.603 54.652 52.037 0.019 0.000 0.627 423 A CB -1.163 17.849 19.000 0.019 0.000 0.818 423 A HN 1.056 nan 8.150 nan 0.000 0.445 424 S N -0.337 115.378 115.700 0.026 0.000 2.507 424 S HA -0.076 4.383 4.470 -0.019 0.000 0.235 424 S C 1.483 176.094 174.600 0.019 0.000 0.988 424 S CA 1.313 59.528 58.200 0.024 0.000 0.944 424 S CB -0.240 62.979 63.200 0.032 0.000 0.762 424 S HN 0.635 nan 8.310 nan 0.000 0.526 425 K N 0.630 121.041 120.400 0.019 0.000 2.400 425 K HA 0.318 4.626 4.320 -0.019 0.000 0.194 425 K C 0.886 177.493 176.600 0.011 0.000 1.033 425 K CA 0.278 56.574 56.287 0.015 0.000 1.021 425 K CB -0.054 32.455 32.500 0.016 0.000 0.808 425 K HN 0.378 nan 8.250 nan 0.000 0.505 426 L N 0.341 121.571 121.223 0.011 0.000 2.741 426 L HA 0.225 4.554 4.340 -0.019 0.000 0.237 426 L C 1.732 178.606 176.870 0.007 0.000 1.178 426 L CA -0.254 54.591 54.840 0.008 0.000 0.973 426 L CB 0.029 42.093 42.059 0.008 0.000 1.255 426 L HN 0.091 nan 8.230 nan 0.000 0.498 427 A N 0.018 122.843 122.820 0.007 0.000 2.024 427 A HA -0.185 4.124 4.320 -0.019 0.000 0.220 427 A C 1.608 179.195 177.584 0.004 0.000 1.164 427 A CA 1.570 53.611 52.037 0.006 0.000 0.643 427 A CB -0.177 18.827 19.000 0.006 0.000 0.806 427 A HN 0.355 nan 8.150 nan 0.000 0.451 428 D N -0.923 119.479 120.400 0.004 0.000 2.340 428 D HA 0.126 4.755 4.640 -0.019 0.000 0.220 428 D C 0.170 176.471 176.300 0.003 0.000 1.039 428 D CA -0.153 53.849 54.000 0.003 0.000 0.866 428 D CB -0.124 40.677 40.800 0.002 0.000 0.913 428 D HN 0.311 nan 8.370 nan 0.000 0.523 429 L N 2.053 123.278 121.223 0.003 0.000 2.513 429 L HA 0.036 4.365 4.340 -0.019 0.000 0.272 429 L C 0.387 177.258 176.870 0.002 0.000 1.187 429 L CA 0.588 55.429 54.840 0.003 0.000 0.895 429 L CB 0.116 42.177 42.059 0.003 0.000 1.147 429 L HN -0.216 nan 8.230 nan 0.000 0.483 430 R N 3.067 123.568 120.500 0.002 0.000 2.939 430 R HA 0.793 5.121 4.340 -0.019 0.000 0.254 430 R C -0.153 176.148 176.300 0.001 0.000 1.123 430 R CA -0.411 55.690 56.100 0.001 0.000 1.020 430 R CB 1.237 31.538 30.300 0.001 0.000 1.206 430 R HN 0.771 nan 8.270 nan 0.000 0.491 431 G N -0.653 108.147 108.800 0.001 0.000 3.211 431 G HA2 0.238 4.186 3.960 -0.019 0.000 0.262 431 G HA3 0.238 4.186 3.960 -0.019 0.000 0.262 431 G C -0.008 174.892 174.900 0.001 0.000 1.352 431 G CA -0.350 44.750 45.100 0.001 0.000 1.004 431 G HN 0.391 nan 8.290 nan 0.000 0.559 432 Q N -0.535 119.265 119.800 0.001 0.000 2.297 432 Q HA 0.059 4.388 4.340 -0.019 0.000 0.204 432 Q C 0.413 176.413 176.000 0.001 0.000 0.962 432 Q CA 1.343 57.146 55.803 0.001 0.000 0.879 432 Q CB -0.051 28.687 28.738 0.001 0.000 0.947 432 Q HN 0.606 nan 8.270 nan 0.000 0.462 433 N N -2.089 116.612 118.700 0.001 0.000 3.364 433 N HA 0.007 4.736 4.740 -0.019 0.000 0.294 433 N C -0.044 175.467 175.510 0.001 0.000 1.562 433 N CA -0.527 52.523 53.050 0.001 0.000 0.862 433 N CB 0.298 38.786 38.487 0.001 0.000 1.691 433 N HN -0.241 nan 8.380 nan 0.000 0.572 434 E N -0.405 119.796 120.200 0.001 0.000 2.072 434 E HA -0.067 4.271 4.350 -0.019 0.000 0.191 434 E C 0.454 177.055 176.600 0.002 0.000 0.985 434 E CA 1.576 57.977 56.400 0.002 0.000 0.801 434 E CB -0.417 29.284 29.700 0.001 0.000 0.750 434 E HN 0.565 nan 8.360 nan 0.000 0.452 435 D N 0.173 120.574 120.400 0.002 0.000 2.144 435 D HA -0.155 4.473 4.640 -0.019 0.000 0.199 435 D C 1.831 178.133 176.300 0.003 0.000 0.984 435 D CA 0.928 54.929 54.000 0.003 0.000 0.834 435 D CB -0.177 40.625 40.800 0.003 0.000 0.955 435 D HN 0.345 nan 8.370 nan 0.000 0.465 436 Q N -0.005 119.797 119.800 0.003 0.000 2.167 436 Q HA -0.064 4.265 4.340 -0.019 0.000 0.202 436 Q C 1.818 177.820 176.000 0.003 0.000 0.970 436 Q CA 0.746 56.550 55.803 0.003 0.000 0.855 436 Q CB -0.037 28.702 28.738 0.002 0.000 0.911 436 Q HN 0.404 nan 8.270 nan 0.000 0.438 437 N N -0.381 118.321 118.700 0.002 0.000 2.120 437 N HA -0.161 4.568 4.740 -0.019 0.000 0.188 437 N C 1.928 177.439 175.510 0.003 0.000 1.024 437 N CA 1.239 54.291 53.050 0.003 0.000 0.852 437 N CB -0.048 38.441 38.487 0.002 0.000 1.003 437 N HN 0.135 nan 8.380 nan 0.000 0.424 438 V N 0.275 120.191 119.914 0.003 0.000 2.515 438 V HA -0.030 4.079 4.120 -0.019 0.000 0.250 438 V C 2.015 178.111 176.094 0.004 0.000 1.058 438 V CA 2.120 64.422 62.300 0.004 0.000 1.064 438 V CB -1.140 30.685 31.823 0.004 0.000 0.675 438 V HN 0.267 nan 8.190 nan 0.000 0.461 439 G N 0.691 109.494 108.800 0.004 0.000 2.514 439 G HA2 -0.299 3.649 3.960 -0.019 0.000 0.217 439 G HA3 -0.299 3.649 3.960 -0.019 0.000 0.217 439 G C 1.522 176.425 174.900 0.005 0.000 1.198 439 G CA 1.621 46.724 45.100 0.005 0.000 0.780 439 G HN 0.573 nan 8.290 nan 0.000 0.565 440 I N 0.761 121.333 120.570 0.004 0.000 2.091 440 I HA -0.273 3.886 4.170 -0.019 0.000 0.240 440 I C 2.818 178.938 176.117 0.005 0.000 1.046 440 I CA 1.707 63.009 61.300 0.004 0.000 1.306 440 I CB -0.184 37.818 38.000 0.003 0.000 1.018 440 I HN 0.040 nan 8.210 nan 0.000 0.404 441 K N 0.476 120.879 120.400 0.005 0.000 2.103 441 K HA -0.127 4.182 4.320 -0.019 0.000 0.207 441 K C 2.133 178.737 176.600 0.007 0.000 1.048 441 K CA 1.168 57.459 56.287 0.006 0.000 0.930 441 K CB -0.966 31.537 32.500 0.005 0.000 0.716 441 K HN 0.259 nan 8.250 nan 0.000 0.444 442 V N 1.786 121.704 119.914 0.007 0.000 2.255 442 V HA -0.287 3.822 4.120 -0.019 0.000 0.247 442 V C 2.537 178.636 176.094 0.009 0.000 1.051 442 V CA 2.091 64.396 62.300 0.008 0.000 1.018 442 V CB -0.930 30.898 31.823 0.008 0.000 0.641 442 V HN 0.337 nan 8.190 nan 0.000 0.445 443 A N -0.233 122.592 122.820 0.008 0.000 1.873 443 A HA -0.226 4.083 4.320 -0.019 0.000 0.218 443 A C 2.211 179.801 177.584 0.010 0.000 1.193 443 A CA 2.230 54.272 52.037 0.009 0.000 0.629 443 A CB -0.667 18.337 19.000 0.007 0.000 0.826 443 A HN 0.514 nan 8.150 nan 0.000 0.447 444 L N -1.470 119.759 121.223 0.009 0.000 2.083 444 L HA -0.156 4.173 4.340 -0.019 0.000 0.209 444 L C 2.843 179.720 176.870 0.012 0.000 1.083 444 L CA 1.733 56.579 54.840 0.011 0.000 0.752 444 L CB -0.529 41.536 42.059 0.010 0.000 0.899 444 L HN 0.472 nan 8.230 nan 0.000 0.433 445 R N 0.337 120.843 120.500 0.011 0.000 2.115 445 R HA -0.098 4.231 4.340 -0.019 0.000 0.226 445 R C 2.290 178.597 176.300 0.012 0.000 1.100 445 R CA 1.139 57.245 56.100 0.011 0.000 0.980 445 R CB -0.073 30.232 30.300 0.009 0.000 0.875 445 R HN 0.314 nan 8.270 nan 0.000 0.445 446 A N 0.830 123.657 122.820 0.012 0.000 1.969 446 A HA -0.114 4.195 4.320 -0.019 0.000 0.218 446 A C 2.092 179.685 177.584 0.015 0.000 1.169 446 A CA 1.087 53.132 52.037 0.014 0.000 0.635 446 A CB -0.348 18.660 19.000 0.014 0.000 0.810 446 A HN 0.315 nan 8.150 nan 0.000 0.445 447 M N -0.265 119.344 119.600 0.016 0.000 2.426 447 M HA -0.190 4.279 4.480 -0.019 0.000 0.261 447 M C 1.500 177.811 176.300 0.019 0.000 1.068 447 M CA 1.307 56.617 55.300 0.018 0.000 1.066 447 M CB -0.459 32.152 32.600 0.017 0.000 1.399 447 M HN 0.481 nan 8.290 nan 0.000 0.449 448 E N 0.308 120.519 120.200 0.017 0.000 2.347 448 E HA -0.064 4.275 4.350 -0.019 0.000 0.196 448 E C 2.101 178.710 176.600 0.014 0.000 1.008 448 E CA 0.663 57.073 56.400 0.017 0.000 0.852 448 E CB -0.052 29.656 29.700 0.014 0.000 0.783 448 E HN 0.535 nan 8.360 nan 0.000 0.505 449 A N 2.364 125.192 122.820 0.014 0.000 1.865 449 A HA -0.133 4.176 4.320 -0.019 0.000 0.217 449 A C -0.270 177.322 177.584 0.014 0.000 1.191 449 A CA 1.234 53.279 52.037 0.013 0.000 0.623 449 A CB -1.422 17.586 19.000 0.014 0.000 0.826 449 A HN 0.137 nan 8.150 nan 0.000 0.444 450 P HA -0.157 nan 4.420 nan 0.000 0.214 450 P C 1.749 179.060 177.300 0.019 0.000 1.163 450 P CA 1.048 64.159 63.100 0.019 0.000 0.883 450 P CB -0.137 31.576 31.700 0.021 0.000 0.788 451 L N -0.212 121.023 121.223 0.021 0.000 2.042 451 L HA -0.173 4.155 4.340 -0.019 0.000 0.210 451 L C 2.338 179.213 176.870 0.008 0.000 1.076 451 L CA 1.910 56.763 54.840 0.022 0.000 0.749 451 L CB -0.791 41.283 42.059 0.025 0.000 0.893 451 L HN -0.196 nan 8.230 nan 0.000 0.432 452 R N -1.132 119.369 120.500 0.002 0.000 2.081 452 R HA -0.202 4.127 4.340 -0.019 0.000 0.235 452 R C 2.312 178.611 176.300 -0.002 0.000 1.131 452 R CA 1.419 57.515 56.100 -0.008 0.000 0.960 452 R CB -0.557 29.740 30.300 -0.005 0.000 0.856 452 R HN 0.372 nan 8.270 nan 0.000 0.436 453 Q N 1.258 121.062 119.800 0.006 0.000 2.050 453 Q HA -0.076 4.253 4.340 -0.019 0.000 0.202 453 Q C 1.924 177.932 176.000 0.013 0.000 0.980 453 Q CA 1.613 57.421 55.803 0.009 0.000 0.840 453 Q CB -0.223 28.522 28.738 0.011 0.000 0.898 453 Q HN 0.351 nan 8.270 nan 0.000 0.424 454 I N -0.679 119.903 120.570 0.020 0.000 2.208 454 I HA -0.269 3.890 4.170 -0.019 0.000 0.245 454 I C 1.990 178.133 176.117 0.045 0.000 1.097 454 I CA 0.952 62.271 61.300 0.032 0.000 1.363 454 I CB -0.218 37.807 38.000 0.042 0.000 1.051 454 I HN 0.056 nan 8.210 nan 0.000 0.413 455 V N 0.404 120.336 119.914 0.030 0.000 2.667 455 V HA -0.219 3.889 4.120 -0.019 0.000 0.252 455 V C 2.237 178.336 176.094 0.009 0.000 1.065 455 V CA 1.192 63.502 62.300 0.018 0.000 1.083 455 V CB -0.235 31.535 31.823 -0.087 0.000 0.692 455 V HN 0.341 nan 8.190 nan 0.000 0.468 456 L N 0.739 121.964 121.223 0.003 0.000 2.056 456 L HA -0.094 4.235 4.340 -0.019 0.000 0.207 456 L C 2.188 179.064 176.870 0.010 0.000 1.078 456 L CA 1.841 56.683 54.840 0.002 0.000 0.749 456 L CB -0.779 41.280 42.059 0.001 0.000 0.901 456 L HN 0.296 nan 8.230 nan 0.000 0.433 457 N N -0.907 117.802 118.700 0.014 0.000 2.272 457 N HA -0.185 4.544 4.740 -0.019 0.000 0.185 457 N C 1.750 177.272 175.510 0.019 0.000 1.014 457 N CA 1.609 54.668 53.050 0.015 0.000 0.870 457 N CB -0.841 37.654 38.487 0.013 0.000 0.975 457 N HN 0.433 nan 8.380 nan 0.000 0.433 458 C N -0.376 118.944 119.300 0.032 0.000 2.472 458 C HA 0.177 4.626 4.460 -0.019 0.000 0.278 458 C C 1.756 176.764 174.990 0.031 0.000 1.447 458 C CA 0.328 59.370 59.018 0.041 0.000 1.773 458 C CB -1.338 26.453 27.740 0.086 0.000 1.793 458 C HN 0.628 nan 8.230 nan 0.000 0.544 459 G N 0.972 109.785 108.800 0.021 0.000 2.168 459 G HA2 -0.192 3.757 3.960 -0.019 0.000 0.257 459 G HA3 -0.192 3.757 3.960 -0.019 0.000 0.257 459 G C -0.100 174.808 174.900 0.015 0.000 0.997 459 G CA 0.394 45.503 45.100 0.015 0.000 0.708 459 G HN 0.534 nan 8.290 nan 0.000 0.520 460 E N 0.064 120.272 120.200 0.013 0.000 2.330 460 E HA 0.420 4.759 4.350 -0.019 0.000 0.256 460 E C 0.325 176.907 176.600 -0.030 0.000 1.146 460 E CA -0.671 55.725 56.400 -0.008 0.000 0.945 460 E CB 0.517 30.204 29.700 -0.021 0.000 1.182 460 E HN 0.480 nan 8.360 nan 0.000 0.480 461 E N 2.095 122.270 120.200 -0.042 0.000 2.052 461 E HA 0.088 4.427 4.350 -0.019 0.000 0.283 461 E C -1.519 175.044 176.600 -0.062 0.000 1.071 461 E CA -1.652 54.727 56.400 -0.036 0.000 0.851 461 E CB 0.925 30.613 29.700 -0.021 0.000 1.066 461 E HN 0.158 nan 8.360 nan 0.000 0.396 462 P HA -0.192 nan 4.420 nan 0.000 0.218 462 P C 1.185 178.456 177.300 -0.049 0.000 1.149 462 P CA 1.137 64.201 63.100 -0.060 0.000 0.817 462 P CB 0.281 31.962 31.700 -0.032 0.000 0.785 463 S N -1.141 114.541 115.700 -0.030 0.000 2.436 463 S HA -0.025 4.434 4.470 -0.019 0.000 0.228 463 S C 2.013 176.603 174.600 -0.016 0.000 1.014 463 S CA 0.587 58.777 58.200 -0.018 0.000 0.950 463 S CB -1.514 61.680 63.200 -0.009 0.000 0.784 463 S HN -0.053 nan 8.310 nan 0.000 0.504 464 V N 1.736 121.637 119.914 -0.021 0.000 2.427 464 V HA -0.082 4.027 4.120 -0.019 0.000 0.248 464 V C 2.601 178.695 176.094 -0.001 0.000 1.051 464 V CA 1.443 63.738 62.300 -0.008 0.000 1.048 464 V CB -0.611 31.210 31.823 -0.003 0.000 0.666 464 V HN 0.456 nan 8.190 nan 0.000 0.456 465 V N 0.265 120.145 119.914 -0.056 0.000 2.453 465 V HA -0.163 3.946 4.120 -0.019 0.000 0.247 465 V C 2.681 178.779 176.094 0.008 0.000 1.048 465 V CA 1.711 63.966 62.300 -0.075 0.000 1.049 465 V CB -0.988 30.557 31.823 -0.464 0.000 0.672 465 V HN 0.536 nan 8.190 nan 0.000 0.457 466 A N 0.616 123.428 122.820 -0.013 0.000 1.902 466 A HA -0.293 4.016 4.320 -0.019 0.000 0.217 466 A C 2.066 179.674 177.584 0.039 0.000 1.181 466 A CA 2.377 54.424 52.037 0.018 0.000 0.623 466 A CB -0.853 18.151 19.000 0.006 0.000 0.818 466 A HN 0.622 nan 8.150 nan 0.000 0.443 467 N N -0.784 117.931 118.700 0.026 0.000 2.084 467 N HA -0.123 4.605 4.740 -0.019 0.000 0.190 467 N C 1.702 177.233 175.510 0.035 0.000 1.030 467 N CA 2.329 55.393 53.050 0.023 0.000 0.849 467 N CB -0.313 38.180 38.487 0.009 0.000 1.012 467 N HN 0.395 nan 8.380 nan 0.000 0.423 468 T N -0.267 114.312 114.554 0.042 0.000 2.668 468 T HA -0.090 4.249 4.350 -0.019 0.000 0.262 468 T C 1.981 176.769 174.700 0.146 0.000 1.045 468 T CA 1.427 63.539 62.100 0.020 0.000 1.152 468 T CB -0.623 68.171 68.868 -0.122 0.000 0.864 468 T HN 0.011 nan 8.240 nan 0.000 0.419 469 V N 2.270 122.316 119.914 0.220 0.000 2.250 469 V HA -0.286 3.823 4.120 -0.019 0.000 0.250 469 V C 2.540 178.757 176.094 0.206 0.000 1.060 469 V CA 1.784 64.233 62.300 0.248 0.000 1.030 469 V CB -0.620 31.302 31.823 0.166 0.000 0.643 469 V HN 0.514 nan 8.190 nan 0.000 0.445 470 K N 0.283 120.755 120.400 0.120 0.000 2.113 470 K HA -0.181 4.128 4.320 -0.019 0.000 0.208 470 K C 2.128 178.771 176.600 0.072 0.000 1.047 470 K CA 1.669 58.007 56.287 0.084 0.000 0.928 470 K CB -0.718 31.812 32.500 0.050 0.000 0.716 470 K HN 0.605 nan 8.250 nan 0.000 0.446 471 G N 1.262 110.098 108.800 0.061 0.000 2.598 471 G HA2 -0.040 3.909 3.960 -0.019 0.000 0.215 471 G HA3 -0.040 3.909 3.960 -0.019 0.000 0.215 471 G C 0.755 175.646 174.900 -0.016 0.000 1.131 471 G CA 0.483 45.590 45.100 0.011 0.000 0.785 471 G HN 0.352 nan 8.290 nan 0.000 0.539 472 G N -0.801 108.026 108.800 0.044 0.000 2.563 472 G HA2 0.438 4.387 3.960 -0.019 0.000 0.283 472 G HA3 0.438 4.387 3.960 -0.019 0.000 0.283 472 G C -1.272 173.632 174.900 0.007 0.000 1.309 472 G CA -0.269 44.786 45.100 -0.075 0.000 1.022 472 G HN 0.114 nan 8.290 nan 0.000 0.501 473 D N -2.246 118.144 120.400 -0.017 0.000 2.575 473 D HA 0.546 5.175 4.640 -0.019 0.000 0.236 473 D C 0.794 177.144 176.300 0.083 0.000 1.075 473 D CA 1.049 55.064 54.000 0.025 0.000 0.860 473 D CB 1.576 42.366 40.800 -0.017 0.000 1.475 473 D HN 0.999 nan 8.370 nan 0.000 0.474 474 G N 2.743 111.587 108.800 0.074 0.000 2.547 474 G HA2 -0.301 3.648 3.960 -0.019 0.000 0.271 474 G HA3 -0.301 3.648 3.960 -0.019 0.000 0.271 474 G C 0.455 175.420 174.900 0.108 0.000 1.209 474 G CA 0.023 45.169 45.100 0.076 0.000 0.959 474 G HN 0.626 nan 8.290 nan 0.000 0.563 475 N N 0.602 119.364 118.700 0.103 0.000 2.471 475 N HA 0.043 4.772 4.740 -0.019 0.000 0.205 475 N C 0.342 175.940 175.510 0.146 0.000 1.251 475 N CA 0.496 53.607 53.050 0.101 0.000 0.843 475 N CB -0.079 38.448 38.487 0.066 0.000 1.044 475 N HN 0.494 nan 8.380 nan 0.000 0.461 476 Y N 1.152 121.485 120.300 0.056 0.000 2.442 476 Y HA 0.383 4.922 4.550 -0.019 0.000 0.330 476 Y C 0.804 176.776 175.900 0.120 0.000 1.129 476 Y CA 0.123 58.272 58.100 0.081 0.000 1.365 476 Y CB 0.441 38.941 38.460 0.066 0.000 1.233 476 Y HN 0.096 nan 8.280 nan 0.000 0.529 477 G N 3.801 112.324 108.800 -0.461 0.000 2.561 477 G HA2 0.212 4.161 3.960 -0.019 0.000 0.310 477 G HA3 0.212 4.161 3.960 -0.019 0.000 0.310 477 G C -2.475 172.327 174.900 -0.163 0.000 1.292 477 G CA -0.939 44.011 45.100 -0.251 0.000 0.811 477 G HN 0.534 nan 8.290 nan 0.000 0.482 478 Y N 1.585 121.748 120.300 -0.229 0.000 2.331 478 Y HA 0.594 5.133 4.550 -0.018 0.000 0.338 478 Y C -0.021 175.723 175.900 -0.260 0.000 0.992 478 Y CA -1.458 56.407 58.100 -0.390 0.000 1.121 478 Y CB 1.532 39.745 38.460 -0.413 0.000 1.184 478 Y HN 0.416 nan 8.280 nan 0.000 0.469 479 N N 4.772 123.093 118.700 -0.631 0.000 2.439 479 N HA 0.173 4.902 4.740 -0.019 0.000 0.243 479 N C 0.424 175.486 175.510 -0.747 0.000 1.088 479 N CA 0.548 53.293 53.050 -0.507 0.000 0.940 479 N CB 1.260 39.531 38.487 -0.360 0.000 1.180 479 N HN 0.901 nan 8.380 nan 0.000 0.505 480 A N 3.872 126.411 122.820 -0.469 0.000 2.015 480 A HA -0.042 4.267 4.320 -0.019 0.000 0.219 480 A C 2.099 179.546 177.584 -0.229 0.000 1.163 480 A CA 1.561 53.401 52.037 -0.328 0.000 0.646 480 A CB -0.530 18.430 19.000 -0.067 0.000 0.806 480 A HN 0.714 nan 8.150 nan 0.000 0.448 481 A N -0.179 122.527 122.820 -0.190 0.000 1.883 481 A HA -0.139 4.170 4.320 -0.019 0.000 0.217 481 A C 2.281 179.775 177.584 -0.150 0.000 1.186 481 A CA 2.516 54.472 52.037 -0.135 0.000 0.624 481 A CB -1.086 17.852 19.000 -0.104 0.000 0.822 481 A HN 0.847 nan 8.150 nan 0.000 0.444 482 T N -3.494 110.937 114.554 -0.206 0.000 3.054 482 T HA 0.306 4.645 4.350 -0.019 0.000 0.255 482 T C 0.149 174.717 174.700 -0.219 0.000 1.035 482 T CA 0.550 62.546 62.100 -0.173 0.000 0.941 482 T CB -0.265 68.514 68.868 -0.149 0.000 1.026 482 T HN 0.541 nan 8.240 nan 0.000 0.533 483 E N 1.706 121.692 120.200 -0.356 0.000 2.165 483 E HA -0.162 4.177 4.350 -0.019 0.000 0.203 483 E C -0.574 175.809 176.600 -0.361 0.000 1.335 483 E CA 0.497 56.626 56.400 -0.452 0.000 0.708 483 E CB -0.734 28.895 29.700 -0.118 0.000 1.105 483 E HN 0.616 nan 8.360 nan 0.000 0.346 484 E N -0.383 119.519 120.200 -0.496 0.000 2.367 484 E HA 0.343 4.682 4.350 -0.019 0.000 0.273 484 E C -0.677 175.729 176.600 -0.322 0.000 0.903 484 E CA -0.790 55.465 56.400 -0.242 0.000 0.764 484 E CB 0.983 30.616 29.700 -0.112 0.000 1.252 484 E HN 0.070 nan 8.360 nan 0.000 0.446 485 Y N -0.121 120.174 120.300 -0.009 0.000 2.326 485 Y HA 0.634 5.173 4.550 -0.019 0.000 0.324 485 Y C 1.175 177.031 175.900 -0.075 0.000 1.291 485 Y CA 0.473 58.534 58.100 -0.065 0.000 1.348 485 Y CB 1.674 40.134 38.460 0.001 0.000 1.294 485 Y HN 0.642 nan 8.280 nan 0.000 0.525 486 G N 0.603 109.409 108.800 0.009 0.000 2.313 486 G HA2 -0.003 3.946 3.960 -0.019 0.000 0.296 486 G HA3 -0.003 3.946 3.960 -0.019 0.000 0.296 486 G C -1.945 172.980 174.900 0.042 0.000 1.356 486 G CA -1.235 43.905 45.100 0.066 0.000 0.833 486 G HN 0.535 nan 8.290 nan 0.000 0.552 487 N N 0.999 119.756 118.700 0.094 0.000 2.431 487 N HA 0.076 4.805 4.740 -0.019 0.000 0.265 487 N C 1.715 177.241 175.510 0.025 0.000 1.184 487 N CA -0.343 52.756 53.050 0.081 0.000 0.943 487 N CB 0.703 39.240 38.487 0.084 0.000 1.080 487 N HN 0.432 nan 8.380 nan 0.000 0.477 488 M N 3.364 122.971 119.600 0.012 0.000 2.229 488 M HA -0.140 4.329 4.480 -0.019 0.000 0.264 488 M C 1.493 177.792 176.300 -0.002 0.000 1.063 488 M CA 0.938 56.231 55.300 -0.011 0.000 1.114 488 M CB -0.239 32.354 32.600 -0.012 0.000 1.387 488 M HN 0.546 nan 8.290 nan 0.000 0.420 489 I N 0.714 121.292 120.570 0.014 0.000 2.233 489 I HA -0.224 3.935 4.170 -0.019 0.000 0.243 489 I C 1.877 178.000 176.117 0.009 0.000 1.093 489 I CA 1.338 62.645 61.300 0.012 0.000 1.380 489 I CB -1.483 36.528 38.000 0.019 0.000 1.067 489 I HN 0.218 nan 8.210 nan 0.000 0.413 490 D N 0.937 121.346 120.400 0.014 0.000 2.149 490 D HA -0.234 4.395 4.640 -0.019 0.000 0.194 490 D C 2.131 178.432 176.300 0.000 0.000 1.001 490 D CA 1.448 55.455 54.000 0.011 0.000 0.849 490 D CB -0.332 40.479 40.800 0.019 0.000 0.939 490 D HN 0.337 nan 8.370 nan 0.000 0.449 491 M N -0.623 118.973 119.600 -0.007 0.000 2.686 491 M HA 0.098 4.567 4.480 -0.019 0.000 0.246 491 M C 1.121 177.406 176.300 -0.026 0.000 1.096 491 M CA 0.691 55.977 55.300 -0.023 0.000 1.076 491 M CB 0.191 32.766 32.600 -0.042 0.000 1.504 491 M HN 0.115 nan 8.290 nan 0.000 0.524 492 G N 1.998 110.789 108.800 -0.016 0.000 2.198 492 G HA2 -0.259 3.690 3.960 -0.019 0.000 0.260 492 G HA3 -0.259 3.690 3.960 -0.019 0.000 0.260 492 G C -0.039 174.849 174.900 -0.020 0.000 1.025 492 G CA -0.119 44.972 45.100 -0.015 0.000 0.769 492 G HN 0.517 nan 8.290 nan 0.000 0.507 493 I N 0.853 121.408 120.570 -0.025 0.000 2.337 493 I HA 0.554 4.713 4.170 -0.019 0.000 0.285 493 I C 0.173 176.282 176.117 -0.014 0.000 1.041 493 I CA -0.923 60.361 61.300 -0.027 0.000 1.199 493 I CB 0.690 38.663 38.000 -0.045 0.000 1.370 493 I HN 0.230 nan 8.210 nan 0.000 0.470 494 L N 3.643 124.862 121.223 -0.007 0.000 2.469 494 L HA 0.769 5.098 4.340 -0.019 0.000 0.256 494 L C -1.314 175.560 176.870 0.005 0.000 1.006 494 L CA -0.784 54.057 54.840 0.002 0.000 0.832 494 L CB 1.453 43.515 42.059 0.004 0.000 1.421 494 L HN 0.103 nan 8.230 nan 0.000 0.410 495 D N -0.045 120.361 120.400 0.010 0.000 2.350 495 D HA 0.552 5.180 4.640 -0.019 0.000 0.238 495 D C -2.747 173.563 176.300 0.017 0.000 0.989 495 D CA -1.392 52.617 54.000 0.015 0.000 0.921 495 D CB 1.917 42.728 40.800 0.017 0.000 1.297 495 D HN 0.390 nan 8.370 nan 0.000 0.490 496 P HA 0.086 nan 4.420 nan 0.000 0.271 496 P C 0.814 178.126 177.300 0.020 0.000 1.220 496 P CA -0.029 63.083 63.100 0.020 0.000 0.768 496 P CB 0.483 32.197 31.700 0.023 0.000 0.848 497 T N 2.306 116.871 114.554 0.017 0.000 2.685 497 T HA -0.252 4.087 4.350 -0.019 0.000 0.268 497 T C 1.610 176.320 174.700 0.018 0.000 1.034 497 T CA 1.669 63.779 62.100 0.016 0.000 1.149 497 T CB -0.386 68.490 68.868 0.013 0.000 0.860 497 T HN 0.507 nan 8.240 nan 0.000 0.449 498 K N 0.718 121.129 120.400 0.019 0.000 2.103 498 K HA -0.122 4.186 4.320 -0.019 0.000 0.207 498 K C 2.385 179.005 176.600 0.033 0.000 1.048 498 K CA 1.494 57.794 56.287 0.022 0.000 0.930 498 K CB -0.367 32.145 32.500 0.021 0.000 0.716 498 K HN 0.333 nan 8.250 nan 0.000 0.444 499 V N -0.286 119.648 119.914 0.034 0.000 2.379 499 V HA -0.156 3.952 4.120 -0.019 0.000 0.245 499 V C 1.712 177.832 176.094 0.044 0.000 1.044 499 V CA 2.357 64.683 62.300 0.043 0.000 1.036 499 V CB -0.557 31.290 31.823 0.040 0.000 0.664 499 V HN 0.358 nan 8.190 nan 0.000 0.453 500 T N 0.630 115.204 114.554 0.033 0.000 2.746 500 T HA -0.165 4.174 4.350 -0.019 0.000 0.267 500 T C 1.945 176.661 174.700 0.027 0.000 1.039 500 T CA 2.122 64.240 62.100 0.030 0.000 1.142 500 T CB -0.376 68.506 68.868 0.024 0.000 0.866 500 T HN 0.643 nan 8.240 nan 0.000 0.444 501 R N 1.008 121.519 120.500 0.019 0.000 2.080 501 R HA -0.106 4.223 4.340 -0.019 0.000 0.236 501 R C 2.525 178.825 176.300 -0.000 0.000 1.137 501 R CA 1.951 58.053 56.100 0.004 0.000 0.943 501 R CB -0.431 29.867 30.300 -0.004 0.000 0.846 501 R HN 0.250 nan 8.270 nan 0.000 0.431 502 S N 0.849 116.567 115.700 0.030 0.000 2.359 502 S HA -0.170 4.289 4.470 -0.019 0.000 0.224 502 S C 2.119 176.814 174.600 0.158 0.000 1.035 502 S CA 1.215 59.464 58.200 0.081 0.000 1.018 502 S CB -0.465 62.849 63.200 0.189 0.000 0.876 502 S HN 0.593 nan 8.310 nan 0.000 0.448 503 A N 1.769 124.665 122.820 0.126 0.000 1.903 503 A HA -0.126 4.183 4.320 -0.019 0.000 0.219 503 A C 2.136 179.776 177.584 0.093 0.000 1.191 503 A CA 1.538 53.647 52.037 0.119 0.000 0.638 503 A CB -0.897 18.146 19.000 0.072 0.000 0.823 503 A HN 0.461 nan 8.150 nan 0.000 0.451 504 L N -0.954 120.296 121.223 0.045 0.000 2.056 504 L HA -0.214 4.115 4.340 -0.019 0.000 0.207 504 L C 2.739 179.609 176.870 0.000 0.000 1.078 504 L CA 2.011 56.864 54.840 0.023 0.000 0.749 504 L CB -0.572 41.491 42.059 0.008 0.000 0.901 504 L HN 0.561 nan 8.230 nan 0.000 0.433 505 Q N -1.291 118.478 119.800 -0.052 0.000 2.046 505 Q HA -0.221 4.107 4.340 -0.019 0.000 0.200 505 Q C 2.053 177.966 176.000 -0.145 0.000 0.975 505 Q CA 1.691 57.410 55.803 -0.140 0.000 0.836 505 Q CB -0.198 28.387 28.738 -0.255 0.000 0.896 505 Q HN 0.449 nan 8.270 nan 0.000 0.428 506 Y N 0.409 120.711 120.300 0.004 0.000 2.165 506 Y HA -0.229 4.310 4.550 -0.019 0.000 0.286 506 Y C 2.400 178.303 175.900 0.004 0.000 1.155 506 Y CA 1.124 59.226 58.100 0.003 0.000 1.164 506 Y CB -0.691 37.770 38.460 0.002 0.000 0.978 506 Y HN 0.150 nan 8.280 nan 0.000 0.513 507 A N -0.244 122.662 122.820 0.143 0.000 1.933 507 A HA -0.107 4.202 4.320 -0.019 0.000 0.218 507 A C 2.403 180.021 177.584 0.057 0.000 1.175 507 A CA 1.842 53.931 52.037 0.086 0.000 0.628 507 A CB -1.089 17.949 19.000 0.063 0.000 0.814 507 A HN 0.393 nan 8.150 nan 0.000 0.444 508 A N -1.141 121.701 122.820 0.038 0.000 2.021 508 A HA 0.074 4.383 4.320 -0.019 0.000 0.216 508 A C 2.368 179.964 177.584 0.020 0.000 1.163 508 A CA 1.667 53.716 52.037 0.019 0.000 0.676 508 A CB -0.708 18.293 19.000 0.002 0.000 0.818 508 A HN 0.544 nan 8.150 nan 0.000 0.453 509 S N 0.183 115.900 115.700 0.027 0.000 2.343 509 S HA -0.168 4.291 4.470 -0.019 0.000 0.219 509 S C 2.041 176.671 174.600 0.049 0.000 1.033 509 S CA 2.283 60.505 58.200 0.035 0.000 1.014 509 S CB -0.806 62.428 63.200 0.055 0.000 0.915 509 S HN 0.686 nan 8.310 nan 0.000 0.435 510 V N 1.767 121.721 119.914 0.068 0.000 2.295 510 V HA -0.018 4.090 4.120 -0.019 0.000 0.246 510 V C 2.869 178.985 176.094 0.037 0.000 1.049 510 V CA 1.677 64.008 62.300 0.051 0.000 1.024 510 V CB -2.015 29.837 31.823 0.047 0.000 0.648 510 V HN 0.576 nan 8.190 nan 0.000 0.447 511 A N 1.571 124.412 122.820 0.035 0.000 1.927 511 A HA -0.147 4.161 4.320 -0.019 0.000 0.220 511 A C 2.412 180.009 177.584 0.022 0.000 1.185 511 A CA 2.534 54.586 52.037 0.026 0.000 0.639 511 A CB -1.564 17.450 19.000 0.023 0.000 0.820 511 A HN 0.688 nan 8.150 nan 0.000 0.451 512 G N -0.530 108.282 108.800 0.021 0.000 2.422 512 G HA2 -0.121 3.828 3.960 -0.019 0.000 0.218 512 G HA3 -0.121 3.828 3.960 -0.019 0.000 0.218 512 G C 1.546 176.457 174.900 0.018 0.000 1.146 512 G CA 0.988 46.098 45.100 0.016 0.000 0.769 512 G HN 0.456 nan 8.290 nan 0.000 0.547 513 L N -0.436 120.800 121.223 0.021 0.000 2.056 513 L HA 0.030 4.359 4.340 -0.019 0.000 0.207 513 L C 2.845 179.727 176.870 0.020 0.000 1.078 513 L CA 1.335 56.188 54.840 0.021 0.000 0.749 513 L CB -0.275 41.799 42.059 0.024 0.000 0.901 513 L HN 0.296 nan 8.230 nan 0.000 0.433 514 M N -0.193 119.419 119.600 0.021 0.000 2.193 514 M HA -0.130 4.338 4.480 -0.019 0.000 0.265 514 M C 2.174 178.484 176.300 0.017 0.000 1.071 514 M CA 1.640 56.952 55.300 0.020 0.000 1.140 514 M CB 0.039 32.652 32.600 0.021 0.000 1.369 514 M HN 0.079 nan 8.290 nan 0.000 0.423 515 I N 0.217 120.797 120.570 0.017 0.000 2.567 515 I HA -0.205 3.954 4.170 -0.019 0.000 0.257 515 I C 1.091 177.217 176.117 0.016 0.000 1.184 515 I CA 1.462 62.771 61.300 0.015 0.000 1.451 515 I CB -0.380 37.628 38.000 0.014 0.000 1.089 515 I HN 0.465 nan 8.210 nan 0.000 0.441 516 T N -3.499 111.065 114.554 0.017 0.000 3.269 516 T HA 0.199 4.538 4.350 -0.019 0.000 0.269 516 T C 0.395 175.107 174.700 0.020 0.000 0.993 516 T CA -0.350 61.761 62.100 0.018 0.000 0.909 516 T CB -0.273 68.605 68.868 0.016 0.000 1.115 516 T HN -0.105 nan 8.240 nan 0.000 0.543 517 T N 2.312 116.878 114.554 0.020 0.000 2.744 517 T HA 0.321 4.660 4.350 -0.019 0.000 0.291 517 T C 0.573 175.287 174.700 0.023 0.000 0.957 517 T CA -0.499 61.612 62.100 0.019 0.000 1.002 517 T CB 1.492 70.369 68.868 0.014 0.000 0.919 517 T HN 0.095 nan 8.240 nan 0.000 0.468 518 E N 0.796 121.017 120.200 0.035 0.000 2.489 518 E HA 0.176 4.515 4.350 -0.019 0.000 0.204 518 E C 0.035 176.662 176.600 0.044 0.000 1.006 518 E CA 0.088 56.529 56.400 0.068 0.000 0.936 518 E CB 0.592 30.361 29.700 0.114 0.000 1.002 518 E HN 0.546 nan 8.360 nan 0.000 0.488 519 C N 0.509 119.785 119.300 -0.041 0.000 2.782 519 C HA 0.637 5.086 4.460 -0.019 0.000 0.328 519 C C -1.287 173.617 174.990 -0.142 0.000 1.145 519 C CA -0.634 58.256 59.018 -0.212 0.000 1.358 519 C CB 0.419 28.027 27.740 -0.221 0.000 1.841 519 C HN 0.110 nan 8.230 nan 0.000 0.477 520 M N 5.069 124.574 119.600 -0.159 0.000 2.395 520 M HA 0.602 5.071 4.480 -0.019 0.000 0.307 520 M C -1.070 175.279 176.300 0.081 0.000 1.091 520 M CA -0.598 54.720 55.300 0.030 0.000 0.919 520 M CB 2.130 34.849 32.600 0.199 0.000 1.662 520 M HN 0.377 nan 8.290 nan 0.000 0.440 521 V N 1.313 121.255 119.914 0.046 0.000 2.540 521 V HA 0.769 4.878 4.120 -0.019 0.000 0.302 521 V C -0.251 175.810 176.094 -0.055 0.000 1.035 521 V CA -0.382 61.927 62.300 0.015 0.000 0.873 521 V CB 1.946 33.757 31.823 -0.020 0.000 0.992 521 V HN 0.962 nan 8.190 nan 0.000 0.428 522 T N 1.770 116.246 114.554 -0.130 0.000 2.787 522 T HA 0.391 4.730 4.350 -0.019 0.000 0.297 522 T C -1.503 173.099 174.700 -0.163 0.000 1.221 522 T CA -0.563 61.405 62.100 -0.220 0.000 1.006 522 T CB 1.939 70.526 68.868 -0.468 0.000 1.328 522 T HN 0.628 nan 8.240 nan 0.000 0.509 523 D N 1.616 121.929 120.400 -0.145 0.000 2.372 523 D HA 0.304 4.933 4.640 -0.019 0.000 0.243 523 D C 0.151 176.394 176.300 -0.095 0.000 1.121 523 D CA -0.002 53.942 54.000 -0.094 0.000 0.898 523 D CB 0.534 41.289 40.800 -0.075 0.000 1.202 523 D HN 0.405 nan 8.370 nan 0.000 0.428 524 L N 3.685 124.879 121.223 -0.048 0.000 2.455 524 L HA 0.124 4.453 4.340 -0.019 0.000 0.272 524 L C -1.142 175.708 176.870 -0.033 0.000 1.174 524 L CA -1.305 53.518 54.840 -0.027 0.000 0.869 524 L CB 0.041 42.098 42.059 -0.003 0.000 1.130 524 L HN 0.315 nan 8.230 nan 0.000 0.474 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.085 63.100 -0.025 0.000 0.800 525 P CB 0.000 31.694 31.700 -0.011 0.000 0.726