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 1sx3_1_E 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 TDLPK 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 0.000 177.582 177.584 -0.004 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 1.923 124.743 122.820 0.001 0.000 2.561 3 A HA 0.496 4.818 4.320 0.004 0.000 0.234 3 A C 0.202 177.789 177.584 0.005 0.000 1.055 3 A CA 0.537 52.579 52.037 0.008 0.000 0.756 3 A CB -0.043 18.965 19.000 0.013 0.000 0.986 3 A HN 0.618 nan 8.150 nan 0.000 0.505 4 K N 1.443 121.853 120.400 0.016 0.000 2.259 4 K HA 0.399 4.721 4.320 0.004 0.000 0.249 4 K C -1.226 175.405 176.600 0.052 0.000 0.942 4 K CA -0.715 55.581 56.287 0.015 0.000 0.816 4 K CB 1.847 34.353 32.500 0.011 0.000 1.155 4 K HN 0.743 nan 8.250 nan 0.000 0.428 5 D N 1.337 121.782 120.400 0.076 0.000 2.193 5 D HA 0.342 4.984 4.640 0.004 0.000 0.244 5 D C -1.159 175.309 176.300 0.281 0.000 1.064 5 D CA -0.548 53.567 54.000 0.191 0.000 0.845 5 D CB 1.249 42.218 40.800 0.282 0.000 1.148 5 D HN 0.053 nan 8.370 nan 0.000 0.464 6 V N 4.545 124.575 119.914 0.193 0.000 2.443 6 V HA 0.397 4.519 4.120 0.004 0.000 0.293 6 V C 0.054 176.087 176.094 -0.103 0.000 1.021 6 V CA -0.805 61.521 62.300 0.044 0.000 0.848 6 V CB 1.670 33.482 31.823 -0.018 0.000 0.998 6 V HN 0.381 nan 8.190 nan 0.000 0.424 7 K N 4.060 124.283 120.400 -0.294 0.000 2.259 7 K HA 0.758 5.080 4.320 0.004 0.000 0.252 7 K C -1.498 174.838 176.600 -0.440 0.000 0.936 7 K CA -0.473 55.591 56.287 -0.371 0.000 0.810 7 K CB 2.434 34.510 32.500 -0.706 0.000 1.143 7 K HN 0.455 nan 8.250 nan 0.000 0.427 8 F N -0.018 119.876 119.950 -0.092 0.000 2.579 8 F HA 0.435 4.964 4.527 0.004 0.000 0.324 8 F C 1.271 177.037 175.800 -0.057 0.000 1.058 8 F CA -0.018 57.952 58.000 -0.050 0.000 0.944 8 F CB 1.710 40.691 39.000 -0.032 0.000 1.245 8 F HN 0.823 nan 8.300 nan 0.000 0.477 9 G N 1.802 110.704 108.800 0.170 0.000 2.634 9 G HA2 -0.405 3.557 3.960 0.004 0.000 0.309 9 G HA3 -0.405 3.557 3.960 0.004 0.000 0.309 9 G C 1.180 176.101 174.900 0.036 0.000 1.265 9 G CA 0.722 45.875 45.100 0.089 0.000 0.998 9 G HN 0.696 nan 8.290 nan 0.000 0.551 10 N N 0.776 119.490 118.700 0.024 0.000 2.060 10 N HA -0.160 4.582 4.740 0.004 0.000 0.195 10 N C 1.807 177.306 175.510 -0.018 0.000 1.028 10 N CA 2.092 55.143 53.050 0.003 0.000 0.861 10 N CB -0.438 38.050 38.487 0.002 0.000 1.029 10 N HN 0.552 nan 8.380 nan 0.000 0.428 11 D N 0.599 120.982 120.400 -0.028 0.000 2.133 11 D HA -0.153 4.489 4.640 0.004 0.000 0.192 11 D C 1.784 178.005 176.300 -0.132 0.000 1.001 11 D CA 1.356 55.308 54.000 -0.079 0.000 0.844 11 D CB -0.399 40.349 40.800 -0.087 0.000 0.944 11 D HN 0.341 nan 8.370 nan 0.000 0.447 12 A N 0.439 123.187 122.820 -0.119 0.000 1.898 12 A HA 0.029 4.351 4.320 0.004 0.000 0.216 12 A C 2.393 179.949 177.584 -0.047 0.000 1.181 12 A CA 2.025 53.985 52.037 -0.128 0.000 0.620 12 A CB -0.989 17.956 19.000 -0.092 0.000 0.819 12 A HN 0.310 nan 8.150 nan 0.000 0.442 13 G N -0.194 108.593 108.800 -0.023 0.000 2.408 13 G HA2 -0.110 3.852 3.960 0.004 0.000 0.217 13 G HA3 -0.110 3.852 3.960 0.004 0.000 0.217 13 G C 1.651 176.549 174.900 -0.003 0.000 1.150 13 G CA 1.789 46.888 45.100 -0.003 0.000 0.776 13 G HN 1.019 nan 8.290 nan 0.000 0.542 14 V N -0.644 119.261 119.914 -0.015 0.000 2.427 14 V HA -0.048 4.074 4.120 0.004 0.000 0.248 14 V C 2.484 178.578 176.094 0.000 0.000 1.051 14 V CA 2.141 64.436 62.300 -0.009 0.000 1.048 14 V CB -0.436 31.379 31.823 -0.013 0.000 0.666 14 V HN 0.126 nan 8.190 nan 0.000 0.456 15 K N 0.080 120.477 120.400 -0.006 0.000 2.026 15 K HA -0.060 4.262 4.320 0.004 0.000 0.208 15 K C 2.269 178.903 176.600 0.057 0.000 1.048 15 K CA 2.134 58.442 56.287 0.034 0.000 0.929 15 K CB -0.624 31.909 32.500 0.055 0.000 0.713 15 K HN 0.525 nan 8.250 nan 0.000 0.439 16 M N 0.451 120.081 119.600 0.050 0.000 2.080 16 M HA -0.193 4.289 4.480 0.004 0.000 0.260 16 M C 2.279 178.598 176.300 0.032 0.000 1.068 16 M CA 1.252 56.580 55.300 0.048 0.000 1.109 16 M CB -0.403 32.221 32.600 0.040 0.000 1.342 16 M HN 0.042 nan 8.290 nan 0.000 0.405 17 L N 0.479 121.716 121.223 0.023 0.000 2.042 17 L HA -0.210 4.132 4.340 0.004 0.000 0.210 17 L C 2.446 179.326 176.870 0.018 0.000 1.076 17 L CA 1.931 56.781 54.840 0.018 0.000 0.749 17 L CB -0.631 41.435 42.059 0.012 0.000 0.893 17 L HN 0.155 nan 8.230 nan 0.000 0.432 18 R N -0.123 120.389 120.500 0.020 0.000 2.073 18 R HA 0.034 4.377 4.340 0.004 0.000 0.229 18 R C 2.188 178.500 176.300 0.021 0.000 1.120 18 R CA 1.597 57.708 56.100 0.019 0.000 0.967 18 R CB -1.391 28.922 30.300 0.021 0.000 0.862 18 R HN 0.401 nan 8.270 nan 0.000 0.436 19 G N 0.282 109.099 108.800 0.028 0.000 2.421 19 G HA2 -0.244 3.718 3.960 0.004 0.000 0.216 19 G HA3 -0.244 3.718 3.960 0.004 0.000 0.216 19 G C 1.486 176.396 174.900 0.016 0.000 1.171 19 G CA 1.104 46.218 45.100 0.024 0.000 0.775 19 G HN 0.332 nan 8.290 nan 0.000 0.543 20 V N 0.883 120.808 119.914 0.017 0.000 2.343 20 V HA -0.165 3.957 4.120 0.004 0.000 0.247 20 V C 2.289 178.390 176.094 0.011 0.000 1.051 20 V CA 2.603 64.911 62.300 0.013 0.000 1.036 20 V CB -0.547 31.285 31.823 0.015 0.000 0.654 20 V HN 0.264 nan 8.190 nan 0.000 0.451 21 N N 0.389 119.096 118.700 0.011 0.000 2.166 21 N HA -0.095 4.647 4.740 0.004 0.000 0.186 21 N C 1.776 177.290 175.510 0.007 0.000 1.019 21 N CA 1.753 54.808 53.050 0.009 0.000 0.856 21 N CB -0.510 37.982 38.487 0.008 0.000 0.993 21 N HN 0.504 nan 8.380 nan 0.000 0.426 22 V N 1.384 121.302 119.914 0.007 0.000 2.307 22 V HA -0.164 3.958 4.120 0.004 0.000 0.245 22 V C 2.381 178.476 176.094 0.002 0.000 1.045 22 V CA 1.054 63.357 62.300 0.004 0.000 1.024 22 V CB -0.501 31.324 31.823 0.005 0.000 0.651 22 V HN 0.215 nan 8.190 nan 0.000 0.449 23 L N 0.624 121.848 121.223 0.002 0.000 2.017 23 L HA -0.085 4.258 4.340 0.004 0.000 0.208 23 L C 2.414 179.284 176.870 0.000 0.000 1.073 23 L CA 2.344 57.184 54.840 -0.000 0.000 0.745 23 L CB -0.648 41.410 42.059 -0.001 0.000 0.894 23 L HN 0.207 nan 8.230 nan 0.000 0.432 24 A N -0.727 122.095 122.820 0.003 0.000 1.898 24 A HA -0.189 4.133 4.320 0.004 0.000 0.216 24 A C 1.932 179.517 177.584 0.002 0.000 1.181 24 A CA 1.720 53.759 52.037 0.004 0.000 0.620 24 A CB -0.803 18.201 19.000 0.007 0.000 0.819 24 A HN 0.540 nan 8.150 nan 0.000 0.442 25 D N 0.088 120.490 120.400 0.002 0.000 2.218 25 D HA -0.008 4.634 4.640 0.004 0.000 0.204 25 D C 2.083 178.383 176.300 -0.000 0.000 0.976 25 D CA 1.353 55.353 54.000 0.001 0.000 0.853 25 D CB -0.233 40.568 40.800 0.002 0.000 0.939 25 D HN 0.445 nan 8.370 nan 0.000 0.481 26 A N 0.161 122.980 122.820 -0.001 0.000 1.898 26 A HA -0.040 4.282 4.320 0.004 0.000 0.214 26 A C 2.437 180.019 177.584 -0.003 0.000 1.183 26 A CA 0.673 52.709 52.037 -0.003 0.000 0.622 26 A CB -0.522 18.476 19.000 -0.004 0.000 0.824 26 A HN 0.120 nan 8.150 nan 0.000 0.444 27 V N 1.448 121.360 119.914 -0.003 0.000 2.358 27 V HA -0.235 3.887 4.120 0.004 0.000 0.246 27 V C 2.500 178.593 176.094 -0.002 0.000 1.047 27 V CA 2.232 64.529 62.300 -0.004 0.000 1.035 27 V CB -0.674 31.147 31.823 -0.004 0.000 0.658 27 V HN 0.837 nan 8.190 nan 0.000 0.452 28 K N 1.263 121.663 120.400 0.000 0.000 2.504 28 K HA -0.055 4.268 4.320 0.004 0.000 0.195 28 K C 1.646 178.247 176.600 0.001 0.000 1.036 28 K CA 1.513 57.800 56.287 0.002 0.000 0.984 28 K CB -0.260 32.242 32.500 0.003 0.000 0.788 28 K HN 0.499 nan 8.250 nan 0.000 0.488 29 V N -0.838 119.076 119.914 -0.000 0.000 3.129 29 V HA -0.051 4.071 4.120 0.004 0.000 0.259 29 V C 1.987 178.080 176.094 -0.001 0.000 1.116 29 V CA 1.235 63.534 62.300 -0.001 0.000 1.127 29 V CB -0.608 31.214 31.823 -0.001 0.000 0.742 29 V HN 0.471 nan 8.190 nan 0.000 0.474 30 T N -1.781 112.772 114.554 -0.002 0.000 3.129 30 T HA 0.251 4.603 4.350 0.004 0.000 0.251 30 T C 0.513 175.212 174.700 -0.002 0.000 1.117 30 T CA -0.114 61.985 62.100 -0.003 0.000 1.034 30 T CB -0.297 68.569 68.868 -0.005 0.000 0.968 30 T HN 0.350 nan 8.240 nan 0.000 0.526 31 L N 2.624 123.847 121.223 0.001 0.000 2.410 31 L HA 0.563 4.905 4.340 0.004 0.000 0.273 31 L C 0.740 177.612 176.870 0.004 0.000 1.144 31 L CA 1.435 56.277 54.840 0.003 0.000 0.863 31 L CB -0.538 41.525 42.059 0.006 0.000 1.140 31 L HN 0.666 nan 8.230 nan 0.000 0.463 32 G N 4.594 113.395 108.800 0.002 0.000 2.712 32 G HA2 -0.153 3.809 3.960 0.004 0.000 0.683 32 G HA3 -0.153 3.809 3.960 0.004 0.000 0.683 32 G C -1.971 172.928 174.900 -0.003 0.000 1.320 32 G CA -0.339 44.763 45.100 0.002 0.000 0.847 32 G HN 0.556 nan 8.290 nan 0.000 0.553 33 P HA -0.004 nan 4.420 nan 0.000 0.220 33 P C 1.037 178.331 177.300 -0.011 0.000 1.148 33 P CA 1.204 64.296 63.100 -0.014 0.000 0.803 33 P CB 0.095 31.779 31.700 -0.027 0.000 0.782 34 K N 0.356 120.754 120.400 -0.004 0.000 2.500 34 K HA 0.233 4.555 4.320 0.004 0.000 0.206 34 K C 1.088 177.689 176.600 0.001 0.000 1.034 34 K CA -0.178 56.108 56.287 -0.001 0.000 1.179 34 K CB -0.244 32.260 32.500 0.007 0.000 0.884 34 K HN 0.067 nan 8.250 nan 0.000 0.493 35 G N 1.601 110.401 108.800 -0.001 0.000 2.484 35 G HA2 0.018 3.981 3.960 0.004 0.000 0.235 35 G HA3 0.018 3.981 3.960 0.004 0.000 0.235 35 G C 0.142 175.040 174.900 -0.002 0.000 1.282 35 G CA -0.343 44.757 45.100 -0.001 0.000 0.857 35 G HN 0.083 nan 8.290 nan 0.000 0.571 36 R N 0.874 121.373 120.500 -0.002 0.000 2.549 36 R HA 0.172 4.514 4.340 0.004 0.000 0.267 36 R C 0.224 176.522 176.300 -0.004 0.000 1.045 36 R CA -0.738 55.360 56.100 -0.003 0.000 1.115 36 R CB 0.435 30.734 30.300 -0.002 0.000 1.121 36 R HN 0.656 nan 8.270 nan 0.000 0.543 37 N N -0.655 118.043 118.700 -0.004 0.000 2.518 37 N HA 0.178 4.920 4.740 0.004 0.000 0.266 37 N C -0.759 174.748 175.510 -0.005 0.000 1.196 37 N CA -0.216 52.831 53.050 -0.005 0.000 0.947 37 N CB 0.900 39.384 38.487 -0.005 0.000 1.098 37 N HN 0.113 nan 8.380 nan 0.000 0.450 38 V N 2.125 122.036 119.914 -0.006 0.000 2.459 38 V HA 0.323 4.445 4.120 0.004 0.000 0.295 38 V C -0.175 175.915 176.094 -0.006 0.000 1.029 38 V CA -0.832 61.465 62.300 -0.006 0.000 0.874 38 V CB 1.717 33.536 31.823 -0.007 0.000 0.985 38 V HN 0.332 nan 8.190 nan 0.000 0.438 39 V N 6.452 126.362 119.914 -0.007 0.000 2.370 39 V HA 0.448 4.571 4.120 0.004 0.000 0.279 39 V C -0.178 175.911 176.094 -0.009 0.000 1.029 39 V CA -0.395 61.901 62.300 -0.007 0.000 0.870 39 V CB 1.330 33.149 31.823 -0.007 0.000 0.984 39 V HN 0.624 nan 8.190 nan 0.000 0.451 40 L N 3.902 125.120 121.223 -0.008 0.000 2.305 40 L HA 0.522 4.864 4.340 0.004 0.000 0.284 40 L C -0.111 176.753 176.870 -0.011 0.000 1.013 40 L CA -0.597 54.238 54.840 -0.010 0.000 0.819 40 L CB 1.532 43.586 42.059 -0.008 0.000 1.227 40 L HN 0.491 nan 8.230 nan 0.000 0.417 41 D N 3.451 123.841 120.400 -0.016 0.000 2.382 41 D HA 0.192 4.834 4.640 0.004 0.000 0.245 41 D C -0.445 175.842 176.300 -0.022 0.000 1.120 41 D CA 0.263 54.249 54.000 -0.023 0.000 0.890 41 D CB 1.006 41.787 40.800 -0.033 0.000 1.201 41 D HN 0.343 nan 8.370 nan 0.000 0.433 42 K N 0.598 120.984 120.400 -0.023 0.000 2.259 42 K HA 0.179 4.502 4.320 0.004 0.000 0.249 42 K C 0.961 177.524 176.600 -0.062 0.000 0.942 42 K CA -0.548 55.730 56.287 -0.014 0.000 0.816 42 K CB 1.714 34.225 32.500 0.019 0.000 1.155 42 K HN 0.391 nan 8.250 nan 0.000 0.428 43 S N 1.757 117.408 115.700 -0.081 0.000 2.447 43 S HA -0.020 4.452 4.470 0.004 0.000 0.233 43 S C 0.265 174.527 174.600 -0.563 0.000 1.006 43 S CA 0.703 58.730 58.200 -0.288 0.000 0.957 43 S CB -0.122 62.929 63.200 -0.249 0.000 0.773 43 S HN 0.404 nan 8.310 nan 0.000 0.507 44 F N 0.678 120.625 119.950 -0.005 0.000 2.565 44 F HA 0.662 5.192 4.527 0.003 0.000 0.313 44 F C 1.072 176.869 175.800 -0.004 0.000 1.091 44 F CA -0.124 57.873 58.000 -0.004 0.000 0.915 44 F CB 1.626 40.623 39.000 -0.004 0.000 1.208 44 F HN 0.335 nan 8.300 nan 0.000 0.453 45 G N 1.142 110.039 108.800 0.161 0.000 2.601 45 G HA2 0.086 4.048 3.960 0.004 0.000 0.252 45 G HA3 0.086 4.048 3.960 0.004 0.000 0.252 45 G C -0.340 174.588 174.900 0.045 0.000 1.294 45 G CA -0.530 44.624 45.100 0.090 0.000 0.912 45 G HN 1.260 nan 8.290 nan 0.000 0.574 46 A N 1.508 124.349 122.820 0.034 0.000 2.407 46 A HA 0.666 4.988 4.320 0.004 0.000 0.248 46 A C -0.936 176.657 177.584 0.014 0.000 1.082 46 A CA 0.130 52.178 52.037 0.018 0.000 0.785 46 A CB -0.135 18.874 19.000 0.014 0.000 1.020 46 A HN 0.848 nan 8.150 nan 0.000 0.489 47 P HA 0.198 nan 4.420 nan 0.000 0.272 47 P C -0.250 177.052 177.300 0.003 0.000 1.240 47 P CA -0.062 63.038 63.100 0.000 0.000 0.791 47 P CB 0.237 31.934 31.700 -0.006 0.000 0.978 48 T N 1.898 116.452 114.554 0.001 0.000 2.817 48 T HA 0.405 4.757 4.350 0.004 0.000 0.293 48 T C 0.417 175.116 174.700 -0.002 0.000 0.964 48 T CA -0.031 62.069 62.100 0.001 0.000 1.085 48 T CB -0.193 68.675 68.868 0.000 0.000 0.921 48 T HN 0.189 nan 8.240 nan 0.000 0.502 49 I N 2.916 123.485 120.570 -0.003 0.000 2.362 49 I HA 0.470 4.642 4.170 0.004 0.000 0.289 49 I C 0.415 176.529 176.117 -0.005 0.000 0.994 49 I CA -0.452 60.845 61.300 -0.004 0.000 1.158 49 I CB 1.793 39.791 38.000 -0.003 0.000 1.315 49 I HN 0.512 nan 8.210 nan 0.000 0.451 50 T N 4.528 119.078 114.554 -0.006 0.000 2.900 50 T HA 0.410 4.763 4.350 0.004 0.000 0.303 50 T C -0.156 174.540 174.700 -0.008 0.000 1.142 50 T CA -0.625 61.470 62.100 -0.008 0.000 1.007 50 T CB 1.598 70.461 68.868 -0.009 0.000 1.156 50 T HN 0.650 nan 8.240 nan 0.000 0.490 51 K N 1.758 122.152 120.400 -0.009 0.000 2.478 51 K HA 0.221 4.543 4.320 0.004 0.000 0.205 51 K C -0.688 175.906 176.600 -0.010 0.000 1.033 51 K CA -0.297 55.985 56.287 -0.008 0.000 1.091 51 K CB 0.491 32.986 32.500 -0.008 0.000 0.844 51 K HN 0.504 nan 8.250 nan 0.000 0.507 52 D N -0.332 120.060 120.400 -0.012 0.000 2.329 52 D HA 0.144 4.786 4.640 0.004 0.000 0.232 52 D C 1.154 177.445 176.300 -0.015 0.000 1.088 52 D CA -0.359 53.632 54.000 -0.015 0.000 0.835 52 D CB 1.450 42.239 40.800 -0.018 0.000 1.078 52 D HN 0.117 nan 8.370 nan 0.000 0.495 53 G N 2.327 111.118 108.800 -0.014 0.000 2.443 53 G HA2 -0.170 3.792 3.960 0.004 0.000 0.219 53 G HA3 -0.170 3.792 3.960 0.004 0.000 0.219 53 G C 1.390 176.280 174.900 -0.017 0.000 1.131 53 G CA 0.549 45.641 45.100 -0.013 0.000 0.775 53 G HN 0.474 nan 8.290 nan 0.000 0.547 54 V N 1.199 121.100 119.914 -0.021 0.000 2.307 54 V HA -0.179 3.944 4.120 0.004 0.000 0.245 54 V C 3.069 179.150 176.094 -0.023 0.000 1.045 54 V CA 2.109 64.394 62.300 -0.025 0.000 1.024 54 V CB -0.637 31.167 31.823 -0.031 0.000 0.651 54 V HN 0.370 nan 8.190 nan 0.000 0.449 55 S N 0.127 115.815 115.700 -0.021 0.000 2.389 55 S HA -0.242 4.230 4.470 0.004 0.000 0.231 55 S C 1.984 176.575 174.600 -0.015 0.000 1.052 55 S CA 1.824 60.014 58.200 -0.017 0.000 1.053 55 S CB -0.458 62.733 63.200 -0.015 0.000 0.886 55 S HN 0.389 nan 8.310 nan 0.000 0.456 56 V N 1.912 121.818 119.914 -0.014 0.000 2.237 56 V HA -0.216 3.906 4.120 0.004 0.000 0.245 56 V C 2.700 178.786 176.094 -0.013 0.000 1.046 56 V CA 1.765 64.057 62.300 -0.012 0.000 1.007 56 V CB -1.342 30.475 31.823 -0.010 0.000 0.638 56 V HN 0.572 nan 8.190 nan 0.000 0.445 57 A N -0.230 122.581 122.820 -0.015 0.000 1.948 57 A HA -0.264 4.058 4.320 0.004 0.000 0.220 57 A C 2.330 179.903 177.584 -0.019 0.000 1.177 57 A CA 1.912 53.939 52.037 -0.016 0.000 0.636 57 A CB -0.591 18.398 19.000 -0.019 0.000 0.815 57 A HN 0.498 nan 8.150 nan 0.000 0.449 58 R N -0.675 119.813 120.500 -0.020 0.000 2.241 58 R HA -0.075 4.267 4.340 0.004 0.000 0.224 58 R C 1.184 177.473 176.300 -0.018 0.000 1.101 58 R CA 1.123 57.210 56.100 -0.021 0.000 0.995 58 R CB -0.064 30.223 30.300 -0.022 0.000 0.870 58 R HN 0.515 nan 8.270 nan 0.000 0.463 59 E N 0.085 120.276 120.200 -0.016 0.000 2.400 59 E HA 0.066 4.418 4.350 0.004 0.000 0.195 59 E C 0.415 177.006 176.600 -0.014 0.000 1.012 59 E CA 0.146 56.538 56.400 -0.014 0.000 0.875 59 E CB 0.401 30.093 29.700 -0.013 0.000 0.859 59 E HN 0.122 nan 8.360 nan 0.000 0.498 60 I N 2.375 122.936 120.570 -0.014 0.000 2.436 60 I HA 0.133 4.305 4.170 0.004 0.000 0.289 60 I C 0.359 176.468 176.117 -0.014 0.000 1.083 60 I CA 0.288 61.580 61.300 -0.013 0.000 1.372 60 I CB 0.016 38.010 38.000 -0.010 0.000 1.408 60 I HN -0.035 nan 8.210 nan 0.000 0.516 61 E N 7.269 127.461 120.200 -0.014 0.000 2.308 61 E HA 0.615 4.967 4.350 0.004 0.000 0.275 61 E C -1.759 174.832 176.600 -0.014 0.000 0.890 61 E CA -0.623 55.768 56.400 -0.016 0.000 0.754 61 E CB 2.212 31.901 29.700 -0.019 0.000 1.207 61 E HN 0.452 nan 8.360 nan 0.000 0.426 62 L N 2.929 124.143 121.223 -0.014 0.000 2.303 62 L HA 0.431 4.773 4.340 0.004 0.000 0.266 62 L C 1.264 178.127 176.870 -0.012 0.000 1.011 62 L CA -0.648 54.187 54.840 -0.008 0.000 0.818 62 L CB 1.696 43.755 42.059 0.000 0.000 1.326 62 L HN 0.742 nan 8.230 nan 0.000 0.435 63 E N 0.286 120.483 120.200 -0.005 0.000 2.060 63 E HA -0.120 4.232 4.350 0.004 0.000 0.189 63 E C 0.383 176.981 176.600 -0.004 0.000 0.974 63 E CA 0.213 56.609 56.400 -0.007 0.000 0.808 63 E CB 0.318 30.017 29.700 -0.001 0.000 0.768 63 E HN 0.670 nan 8.360 nan 0.000 0.453 64 D N 0.902 121.311 120.400 0.015 0.000 2.417 64 D HA -0.060 4.582 4.640 0.004 0.000 0.250 64 D C 0.619 176.927 176.300 0.013 0.000 1.166 64 D CA 0.165 54.189 54.000 0.039 0.000 0.881 64 D CB 1.009 41.853 40.800 0.073 0.000 1.164 64 D HN 0.073 nan 8.370 nan 0.000 0.467 65 K N 3.467 123.842 120.400 -0.042 0.000 2.217 65 K HA -0.101 4.221 4.320 0.004 0.000 0.202 65 K C 1.801 178.244 176.600 -0.262 0.000 1.051 65 K CA 0.822 56.993 56.287 -0.194 0.000 0.952 65 K CB -0.038 32.266 32.500 -0.326 0.000 0.736 65 K HN 0.463 nan 8.250 nan 0.000 0.453 66 F N 1.970 121.908 119.950 -0.019 0.000 2.149 66 F HA -0.024 4.505 4.527 0.003 0.000 0.294 66 F C 2.329 178.119 175.800 -0.017 0.000 1.095 66 F CA 0.930 58.917 58.000 -0.022 0.000 1.276 66 F CB -0.382 38.604 39.000 -0.023 0.000 1.023 66 F HN 0.032 nan 8.300 nan 0.000 0.480 67 E N 0.145 120.446 120.200 0.168 0.000 2.085 67 E HA -0.272 4.080 4.350 0.004 0.000 0.194 67 E C 1.820 178.445 176.600 0.041 0.000 0.994 67 E CA 1.444 57.895 56.400 0.084 0.000 0.801 67 E CB -0.415 29.322 29.700 0.061 0.000 0.743 67 E HN 0.293 nan 8.360 nan 0.000 0.453 68 N N 0.775 119.484 118.700 0.014 0.000 2.061 68 N HA -0.197 4.546 4.740 0.004 0.000 0.193 68 N C 1.754 177.254 175.510 -0.018 0.000 1.030 68 N CA 1.559 54.601 53.050 -0.014 0.000 0.856 68 N CB -0.059 38.404 38.487 -0.039 0.000 1.023 68 N HN 0.088 nan 8.380 nan 0.000 0.424 69 M N -0.863 118.721 119.600 -0.027 0.000 2.108 69 M HA -0.068 4.414 4.480 0.004 0.000 0.261 69 M C 2.193 178.498 176.300 0.009 0.000 1.066 69 M CA 1.777 57.066 55.300 -0.018 0.000 1.107 69 M CB -0.586 31.999 32.600 -0.025 0.000 1.356 69 M HN 0.311 nan 8.290 nan 0.000 0.406 70 G N -0.284 108.534 108.800 0.030 0.000 2.432 70 G HA2 -0.080 3.882 3.960 0.004 0.000 0.219 70 G HA3 -0.080 3.882 3.960 0.004 0.000 0.219 70 G C 1.624 176.532 174.900 0.014 0.000 1.135 70 G CA 0.926 46.042 45.100 0.027 0.000 0.767 70 G HN 0.547 nan 8.290 nan 0.000 0.550 71 A N 0.107 122.932 122.820 0.009 0.000 1.897 71 A HA -0.005 4.317 4.320 0.004 0.000 0.215 71 A C 2.405 179.986 177.584 -0.005 0.000 1.181 71 A CA 1.700 53.738 52.037 0.002 0.000 0.620 71 A CB -0.266 18.734 19.000 -0.001 0.000 0.821 71 A HN 0.285 nan 8.150 nan 0.000 0.443 72 Q N -0.549 119.246 119.800 -0.009 0.000 2.167 72 Q HA -0.040 4.302 4.340 0.004 0.000 0.202 72 Q C 2.092 178.085 176.000 -0.012 0.000 0.970 72 Q CA 1.325 57.119 55.803 -0.015 0.000 0.855 72 Q CB -0.523 28.202 28.738 -0.022 0.000 0.911 72 Q HN 0.767 nan 8.270 nan 0.000 0.438 73 M N -0.451 119.146 119.600 -0.004 0.000 2.077 73 M HA -0.122 4.361 4.480 0.004 0.000 0.261 73 M C 2.254 178.557 176.300 0.004 0.000 1.070 73 M CA 1.159 56.460 55.300 0.002 0.000 1.125 73 M CB -0.405 32.201 32.600 0.010 0.000 1.339 73 M HN 0.056 nan 8.290 nan 0.000 0.409 74 V N 0.301 120.219 119.914 0.006 0.000 2.626 74 V HA -0.216 3.906 4.120 0.004 0.000 0.252 74 V C 1.975 178.069 176.094 -0.001 0.000 1.067 74 V CA 1.805 64.110 62.300 0.009 0.000 1.081 74 V CB -0.434 31.396 31.823 0.013 0.000 0.686 74 V HN 0.408 nan 8.190 nan 0.000 0.468 75 K N -0.397 119.997 120.400 -0.010 0.000 2.280 75 K HA -0.126 4.196 4.320 0.004 0.000 0.202 75 K C 2.031 178.611 176.600 -0.034 0.000 1.047 75 K CA 1.227 57.501 56.287 -0.021 0.000 0.942 75 K CB -0.053 32.433 32.500 -0.023 0.000 0.739 75 K HN 0.427 nan 8.250 nan 0.000 0.457 76 E N 0.315 120.496 120.200 -0.031 0.000 2.265 76 E HA -0.137 4.215 4.350 0.004 0.000 0.196 76 E C 1.875 178.430 176.600 -0.075 0.000 0.996 76 E CA 0.655 57.025 56.400 -0.050 0.000 0.832 76 E CB 0.019 29.704 29.700 -0.026 0.000 0.756 76 E HN 0.090 nan 8.360 nan 0.000 0.491 77 V N 1.382 121.274 119.914 -0.036 0.000 2.229 77 V HA -0.264 3.858 4.120 0.004 0.000 0.243 77 V C 2.464 178.509 176.094 -0.082 0.000 1.042 77 V CA 1.872 64.157 62.300 -0.025 0.000 1.000 77 V CB -0.959 30.882 31.823 0.029 0.000 0.637 77 V HN 0.259 nan 8.190 nan 0.000 0.446 78 A N 0.739 123.528 122.820 -0.052 0.000 1.884 78 A HA -0.309 4.013 4.320 0.004 0.000 0.219 78 A C 2.586 180.105 177.584 -0.107 0.000 1.197 78 A CA 3.179 55.181 52.037 -0.059 0.000 0.637 78 A CB -1.087 17.889 19.000 -0.040 0.000 0.827 78 A HN 0.721 nan 8.150 nan 0.000 0.450 79 S N -0.487 115.144 115.700 -0.115 0.000 2.383 79 S HA -0.164 4.308 4.470 0.004 0.000 0.227 79 S C 1.889 176.367 174.600 -0.204 0.000 1.026 79 S CA 1.532 59.655 58.200 -0.128 0.000 0.981 79 S CB -0.331 62.813 63.200 -0.093 0.000 0.818 79 S HN 0.585 nan 8.310 nan 0.000 0.472 80 K N 1.700 121.900 120.400 -0.334 0.000 2.002 80 K HA 0.110 4.433 4.320 0.004 0.000 0.209 80 K C 2.615 178.790 176.600 -0.709 0.000 1.048 80 K CA 1.206 57.117 56.287 -0.627 0.000 0.930 80 K CB -0.736 31.133 32.500 -1.051 0.000 0.714 80 K HN 0.466 nan 8.250 nan 0.000 0.438 81 A N 1.789 124.255 122.820 -0.591 0.000 1.927 81 A HA -0.319 4.003 4.320 0.004 0.000 0.220 81 A C 1.974 179.510 177.584 -0.081 0.000 1.185 81 A CA 2.376 54.318 52.037 -0.159 0.000 0.639 81 A CB -0.812 18.180 19.000 -0.014 0.000 0.820 81 A HN 0.361 nan 8.150 nan 0.000 0.451 82 N N -0.121 118.514 118.700 -0.109 0.000 2.109 82 N HA -0.115 4.627 4.740 0.004 0.000 0.188 82 N C 1.164 176.650 175.510 -0.040 0.000 1.034 82 N CA 1.696 54.712 53.050 -0.058 0.000 0.846 82 N CB -0.350 38.099 38.487 -0.064 0.000 1.010 82 N HN 0.385 nan 8.380 nan 0.000 0.425 83 D N 0.020 120.377 120.400 -0.072 0.000 2.149 83 D HA -0.101 4.541 4.640 0.004 0.000 0.198 83 D C 1.626 177.926 176.300 -0.000 0.000 0.990 83 D CA 1.323 55.299 54.000 -0.041 0.000 0.839 83 D CB -0.458 40.300 40.800 -0.071 0.000 0.948 83 D HN 0.453 nan 8.370 nan 0.000 0.460 84 A N 0.070 122.894 122.820 0.006 0.000 1.930 84 A HA 0.295 4.617 4.320 0.004 0.000 0.215 84 A C 2.028 179.671 177.584 0.098 0.000 1.176 84 A CA 1.763 53.855 52.037 0.091 0.000 0.632 84 A CB 0.057 19.195 19.000 0.230 0.000 0.819 84 A HN 0.244 nan 8.150 nan 0.000 0.445 85 A N -3.026 119.857 122.820 0.104 0.000 2.377 85 A HA 0.466 4.788 4.320 0.004 0.000 0.209 85 A C 1.623 179.331 177.584 0.207 0.000 1.359 85 A CA 1.063 53.178 52.037 0.130 0.000 1.026 85 A CB -0.355 18.714 19.000 0.114 0.000 1.224 85 A HN 1.845 nan 8.150 nan 0.000 0.528 86 G N -0.071 108.807 108.800 0.130 0.000 2.225 86 G HA2 -0.141 3.821 3.960 0.004 0.000 0.267 86 G HA3 -0.141 3.821 3.960 0.004 0.000 0.267 86 G C -0.180 174.703 174.900 -0.029 0.000 1.024 86 G CA 1.029 46.149 45.100 0.034 0.000 0.784 86 G HN 0.964 nan 8.290 nan 0.000 0.507 87 D N -2.991 117.423 120.400 0.022 0.000 2.764 87 D HA 0.543 5.185 4.640 0.004 0.000 0.293 87 D C 0.904 177.219 176.300 0.024 0.000 1.287 87 D CA 1.289 55.292 54.000 0.006 0.000 0.768 87 D CB 0.108 40.923 40.800 0.025 0.000 1.288 87 D HN 1.417 nan 8.370 nan 0.000 0.426 88 G N 0.068 108.879 108.800 0.018 0.000 2.153 88 G HA2 -0.309 3.653 3.960 0.004 0.000 0.252 88 G HA3 -0.309 3.653 3.960 0.004 0.000 0.252 88 G C 0.990 175.903 174.900 0.021 0.000 0.994 88 G CA 1.929 47.044 45.100 0.026 0.000 0.698 88 G HN 1.052 nan 8.290 nan 0.000 0.521 89 T N -3.191 111.366 114.554 0.004 0.000 2.821 89 T HA -0.075 4.277 4.350 0.004 0.000 0.267 89 T C 2.240 176.941 174.700 0.001 0.000 1.046 89 T CA 2.448 64.546 62.100 -0.005 0.000 1.139 89 T CB -0.455 68.400 68.868 -0.022 0.000 0.871 89 T HN 0.332 nan 8.240 nan 0.000 0.454 90 T N 1.885 116.440 114.554 0.002 0.000 2.770 90 T HA -0.059 4.294 4.350 0.004 0.000 0.263 90 T C 2.247 176.954 174.700 0.011 0.000 1.039 90 T CA 1.655 63.758 62.100 0.004 0.000 1.142 90 T CB -1.037 67.832 68.868 0.001 0.000 0.868 90 T HN 0.470 nan 8.240 nan 0.000 0.435 91 T N 2.481 117.044 114.554 0.015 0.000 2.592 91 T HA -0.249 4.103 4.350 0.004 0.000 0.267 91 T C 2.355 177.072 174.700 0.029 0.000 1.060 91 T CA 1.717 63.830 62.100 0.022 0.000 1.167 91 T CB -0.834 68.049 68.868 0.026 0.000 0.863 91 T HN 0.469 nan 8.240 nan 0.000 0.431 92 A N 0.937 123.779 122.820 0.036 0.000 1.917 92 A HA -0.197 4.125 4.320 0.004 0.000 0.219 92 A C 2.576 180.183 177.584 0.038 0.000 1.182 92 A CA 2.473 54.541 52.037 0.050 0.000 0.633 92 A CB -1.298 17.738 19.000 0.060 0.000 0.819 92 A HN 0.542 nan 8.150 nan 0.000 0.448 93 T N -0.743 113.825 114.554 0.023 0.000 2.857 93 T HA -0.083 4.269 4.350 0.004 0.000 0.266 93 T C 1.957 176.667 174.700 0.017 0.000 1.048 93 T CA 1.472 63.582 62.100 0.017 0.000 1.139 93 T CB -0.524 68.349 68.868 0.008 0.000 0.874 93 T HN 0.572 nan 8.240 nan 0.000 0.455 94 V N 0.968 120.892 119.914 0.016 0.000 2.490 94 V HA -0.053 4.069 4.120 0.004 0.000 0.250 94 V C 2.080 178.185 176.094 0.018 0.000 1.061 94 V CA 1.524 63.833 62.300 0.015 0.000 1.064 94 V CB -0.736 31.094 31.823 0.012 0.000 0.670 94 V HN 0.476 nan 8.190 nan 0.000 0.461 95 L N 0.424 121.662 121.223 0.023 0.000 2.072 95 L HA 0.062 4.404 4.340 0.004 0.000 0.205 95 L C 3.005 179.890 176.870 0.025 0.000 1.079 95 L CA 1.505 56.360 54.840 0.024 0.000 0.752 95 L CB -0.902 41.175 42.059 0.030 0.000 0.906 95 L HN 0.423 nan 8.230 nan 0.000 0.436 96 A N -0.339 122.500 122.820 0.030 0.000 1.883 96 A HA -0.313 4.009 4.320 0.004 0.000 0.217 96 A C 2.268 179.865 177.584 0.022 0.000 1.186 96 A CA 2.118 54.173 52.037 0.030 0.000 0.624 96 A CB -0.664 18.357 19.000 0.034 0.000 0.822 96 A HN 0.521 nan 8.150 nan 0.000 0.444 97 Q N -0.584 119.227 119.800 0.018 0.000 2.084 97 Q HA -0.108 4.234 4.340 0.004 0.000 0.202 97 Q C 2.178 178.186 176.000 0.014 0.000 0.978 97 Q CA 1.645 57.457 55.803 0.015 0.000 0.844 97 Q CB -0.372 28.373 28.738 0.012 0.000 0.898 97 Q HN 0.575 nan 8.270 nan 0.000 0.426 98 A N 0.775 123.603 122.820 0.013 0.000 1.933 98 A HA -0.162 4.160 4.320 0.004 0.000 0.218 98 A C 1.982 179.573 177.584 0.012 0.000 1.175 98 A CA 1.431 53.475 52.037 0.012 0.000 0.628 98 A CB -0.604 18.403 19.000 0.011 0.000 0.814 98 A HN 0.493 nan 8.150 nan 0.000 0.444 99 I N -0.627 119.951 120.570 0.014 0.000 2.233 99 I HA -0.202 3.970 4.170 0.004 0.000 0.243 99 I C 2.273 178.398 176.117 0.014 0.000 1.093 99 I CA 1.107 62.415 61.300 0.014 0.000 1.380 99 I CB -0.310 37.700 38.000 0.016 0.000 1.067 99 I HN 0.264 nan 8.210 nan 0.000 0.413 100 I N 0.372 120.951 120.570 0.016 0.000 2.208 100 I HA -0.313 3.859 4.170 0.004 0.000 0.245 100 I C 2.575 178.700 176.117 0.013 0.000 1.097 100 I CA 1.599 62.908 61.300 0.015 0.000 1.363 100 I CB -0.535 37.475 38.000 0.017 0.000 1.051 100 I HN 0.246 nan 8.210 nan 0.000 0.413 101 T N 0.104 114.665 114.554 0.012 0.000 2.652 101 T HA -0.163 4.189 4.350 0.004 0.000 0.267 101 T C 1.821 176.526 174.700 0.008 0.000 1.039 101 T CA 1.366 63.471 62.100 0.009 0.000 1.153 101 T CB -0.120 68.754 68.868 0.008 0.000 0.863 101 T HN 0.312 nan 8.240 nan 0.000 0.428 102 E N 0.350 120.555 120.200 0.008 0.000 2.170 102 E HA 0.060 4.413 4.350 0.004 0.000 0.191 102 E C 2.522 179.127 176.600 0.008 0.000 0.981 102 E CA 0.710 57.114 56.400 0.007 0.000 0.830 102 E CB -0.628 29.076 29.700 0.007 0.000 0.775 102 E HN 0.539 nan 8.360 nan 0.000 0.470 103 G N 1.793 110.599 108.800 0.009 0.000 2.446 103 G HA2 -0.228 3.734 3.960 0.004 0.000 0.217 103 G HA3 -0.228 3.734 3.960 0.004 0.000 0.217 103 G C 1.707 176.612 174.900 0.009 0.000 1.168 103 G CA 0.477 45.582 45.100 0.009 0.000 0.771 103 G HN 0.163 nan 8.290 nan 0.000 0.551 104 L N -0.232 120.997 121.223 0.010 0.000 2.201 104 L HA -0.010 4.332 4.340 0.004 0.000 0.212 104 L C 2.893 179.767 176.870 0.008 0.000 1.105 104 L CA 0.917 55.763 54.840 0.010 0.000 0.775 104 L CB -0.249 41.816 42.059 0.010 0.000 0.913 104 L HN 0.202 nan 8.230 nan 0.000 0.440 105 K N 0.050 120.454 120.400 0.007 0.000 2.062 105 K HA -0.097 4.225 4.320 0.004 0.000 0.205 105 K C 2.281 178.884 176.600 0.005 0.000 1.051 105 K CA 1.130 57.420 56.287 0.005 0.000 0.941 105 K CB -0.113 32.389 32.500 0.005 0.000 0.719 105 K HN 0.254 nan 8.250 nan 0.000 0.440 106 A N 0.969 123.793 122.820 0.006 0.000 1.883 106 A HA -0.165 4.157 4.320 0.004 0.000 0.217 106 A C 2.281 179.868 177.584 0.006 0.000 1.186 106 A CA 1.711 53.751 52.037 0.005 0.000 0.624 106 A CB -0.826 18.177 19.000 0.006 0.000 0.822 106 A HN 0.097 nan 8.150 nan 0.000 0.444 107 V N -0.122 119.796 119.914 0.007 0.000 2.282 107 V HA -0.319 3.804 4.120 0.004 0.000 0.249 107 V C 3.039 179.137 176.094 0.007 0.000 1.057 107 V CA 2.208 64.513 62.300 0.008 0.000 1.032 107 V CB -1.348 30.481 31.823 0.011 0.000 0.645 107 V HN 0.642 nan 8.190 nan 0.000 0.447 108 A N -0.212 122.611 122.820 0.006 0.000 2.019 108 A HA 0.000 4.322 4.320 0.004 0.000 0.219 108 A C 2.223 179.809 177.584 0.003 0.000 1.164 108 A CA 1.691 53.731 52.037 0.004 0.000 0.644 108 A CB -0.588 18.414 19.000 0.003 0.000 0.805 108 A HN 0.628 nan 8.150 nan 0.000 0.449 109 A N -1.813 121.009 122.820 0.003 0.000 2.235 109 A HA 0.404 4.727 4.320 0.004 0.000 0.208 109 A C 1.695 179.280 177.584 0.002 0.000 1.172 109 A CA 1.217 53.256 52.037 0.002 0.000 0.786 109 A CB -0.879 18.122 19.000 0.002 0.000 0.804 109 A HN 1.842 nan 8.150 nan 0.000 0.479 110 G N -1.853 106.949 108.800 0.003 0.000 2.159 110 G HA2 -0.209 3.753 3.960 0.004 0.000 0.227 110 G HA3 -0.209 3.753 3.960 0.004 0.000 0.227 110 G C 0.130 175.033 174.900 0.004 0.000 0.986 110 G CA 0.143 45.245 45.100 0.003 0.000 0.651 110 G HN 0.366 nan 8.290 nan 0.000 0.523 111 M N 0.793 120.395 119.600 0.004 0.000 2.250 111 M HA 0.252 4.734 4.480 0.004 0.000 0.344 111 M C 0.692 176.996 176.300 0.006 0.000 1.150 111 M CA -0.604 54.699 55.300 0.005 0.000 1.147 111 M CB 0.548 33.151 32.600 0.005 0.000 1.498 111 M HN 0.165 nan 8.290 nan 0.000 0.461 112 N N 3.308 122.011 118.700 0.006 0.000 2.438 112 N HA 0.070 4.812 4.740 0.004 0.000 0.267 112 N C -2.102 173.413 175.510 0.008 0.000 1.222 112 N CA -1.320 51.734 53.050 0.007 0.000 0.930 112 N CB 0.977 39.467 38.487 0.006 0.000 1.083 112 N HN 0.291 nan 8.380 nan 0.000 0.476 113 P HA -0.134 nan 4.420 nan 0.000 0.215 113 P C 1.690 178.996 177.300 0.011 0.000 1.153 113 P CA 1.410 64.517 63.100 0.012 0.000 0.853 113 P CB 0.176 31.885 31.700 0.015 0.000 0.788 114 M N -0.767 118.840 119.600 0.010 0.000 2.159 114 M HA -0.142 4.340 4.480 0.004 0.000 0.263 114 M C 1.443 177.747 176.300 0.007 0.000 1.063 114 M CA 1.662 56.967 55.300 0.009 0.000 1.110 114 M CB -1.698 30.907 32.600 0.009 0.000 1.374 114 M HN 0.006 nan 8.290 nan 0.000 0.411 115 D N 0.597 121.001 120.400 0.006 0.000 2.144 115 D HA -0.038 4.604 4.640 0.004 0.000 0.200 115 D C 2.325 178.628 176.300 0.005 0.000 0.978 115 D CA 0.950 54.953 54.000 0.005 0.000 0.833 115 D CB -0.141 40.662 40.800 0.004 0.000 0.961 115 D HN 0.337 nan 8.370 nan 0.000 0.470 116 L N 0.760 121.986 121.223 0.006 0.000 2.046 116 L HA -0.173 4.170 4.340 0.004 0.000 0.208 116 L C 2.524 179.397 176.870 0.006 0.000 1.077 116 L CA 1.190 56.033 54.840 0.006 0.000 0.747 116 L CB -0.305 41.759 42.059 0.007 0.000 0.896 116 L HN -0.027 nan 8.230 nan 0.000 0.432 117 K N 0.440 120.844 120.400 0.006 0.000 2.057 117 K HA -0.228 4.094 4.320 0.004 0.000 0.206 117 K C 2.325 178.926 176.600 0.003 0.000 1.050 117 K CA 1.306 57.596 56.287 0.006 0.000 0.935 117 K CB -0.021 32.484 32.500 0.007 0.000 0.715 117 K HN 0.045 nan 8.250 nan 0.000 0.439 118 R N 0.014 120.516 120.500 0.003 0.000 2.081 118 R HA -0.079 4.264 4.340 0.004 0.000 0.235 118 R C 2.300 178.600 176.300 -0.000 0.000 1.131 118 R CA 1.867 57.968 56.100 0.001 0.000 0.960 118 R CB -0.738 29.563 30.300 0.001 0.000 0.856 118 R HN 0.390 nan 8.270 nan 0.000 0.436 119 G N 0.822 109.623 108.800 0.001 0.000 2.440 119 G HA2 -0.258 3.704 3.960 0.004 0.000 0.218 119 G HA3 -0.258 3.704 3.960 0.004 0.000 0.218 119 G C 1.435 176.335 174.900 0.001 0.000 1.154 119 G CA 1.154 46.255 45.100 0.001 0.000 0.767 119 G HN 0.306 nan 8.290 nan 0.000 0.552 120 I N 1.048 121.619 120.570 0.001 0.000 2.142 120 I HA -0.150 4.023 4.170 0.004 0.000 0.240 120 I C 2.370 178.485 176.117 -0.003 0.000 1.078 120 I CA 1.395 62.696 61.300 0.001 0.000 1.343 120 I CB -0.206 37.795 38.000 0.003 0.000 1.046 120 I HN 0.034 nan 8.210 nan 0.000 0.405 121 D N 0.711 121.108 120.400 -0.005 0.000 2.123 121 D HA -0.232 4.410 4.640 0.004 0.000 0.196 121 D C 2.067 178.361 176.300 -0.010 0.000 0.992 121 D CA 1.252 55.246 54.000 -0.010 0.000 0.833 121 D CB -0.267 40.527 40.800 -0.010 0.000 0.954 121 D HN 0.311 nan 8.370 nan 0.000 0.455 122 K N 0.544 120.940 120.400 -0.007 0.000 2.057 122 K HA -0.041 4.281 4.320 0.004 0.000 0.206 122 K C 2.006 178.603 176.600 -0.005 0.000 1.050 122 K CA 1.132 57.416 56.287 -0.006 0.000 0.935 122 K CB -0.011 32.487 32.500 -0.004 0.000 0.715 122 K HN 0.026 nan 8.250 nan 0.000 0.439 123 A N 0.698 123.515 122.820 -0.004 0.000 1.933 123 A HA -0.092 4.231 4.320 0.004 0.000 0.218 123 A C 2.204 179.785 177.584 -0.005 0.000 1.175 123 A CA 1.488 53.523 52.037 -0.002 0.000 0.628 123 A CB -0.536 18.464 19.000 0.000 0.000 0.814 123 A HN 0.177 nan 8.150 nan 0.000 0.444 124 V N -0.518 119.391 119.914 -0.008 0.000 2.307 124 V HA -0.210 3.912 4.120 0.004 0.000 0.245 124 V C 2.733 178.817 176.094 -0.017 0.000 1.045 124 V CA 2.425 64.716 62.300 -0.014 0.000 1.024 124 V CB -1.214 30.597 31.823 -0.020 0.000 0.651 124 V HN 0.589 nan 8.190 nan 0.000 0.449 125 T N 0.142 114.685 114.554 -0.018 0.000 2.653 125 T HA -0.205 4.148 4.350 0.004 0.000 0.268 125 T C 1.837 176.530 174.700 -0.012 0.000 1.035 125 T CA 1.947 64.037 62.100 -0.018 0.000 1.154 125 T CB -0.243 68.615 68.868 -0.016 0.000 0.862 125 T HN 0.301 nan 8.240 nan 0.000 0.441 126 V N 1.074 120.983 119.914 -0.008 0.000 2.649 126 V HA 0.028 4.151 4.120 0.004 0.000 0.248 126 V C 2.743 178.835 176.094 -0.003 0.000 1.054 126 V CA 1.149 63.446 62.300 -0.004 0.000 1.073 126 V CB -0.989 30.833 31.823 -0.002 0.000 0.699 126 V HN 0.498 nan 8.190 nan 0.000 0.463 127 A N 0.159 122.977 122.820 -0.003 0.000 1.902 127 A HA -0.151 4.171 4.320 0.004 0.000 0.217 127 A C 2.393 179.976 177.584 -0.002 0.000 1.181 127 A CA 2.063 54.100 52.037 -0.000 0.000 0.623 127 A CB -0.635 18.364 19.000 -0.000 0.000 0.818 127 A HN 0.318 nan 8.150 nan 0.000 0.443 128 V N 0.242 120.151 119.914 -0.008 0.000 2.295 128 V HA -0.290 3.832 4.120 0.004 0.000 0.246 128 V C 2.395 178.486 176.094 -0.005 0.000 1.049 128 V CA 2.351 64.646 62.300 -0.010 0.000 1.024 128 V CB -0.959 30.852 31.823 -0.020 0.000 0.648 128 V HN 0.670 nan 8.190 nan 0.000 0.447 129 E N -0.136 120.061 120.200 -0.005 0.000 2.097 129 E HA -0.303 4.049 4.350 0.004 0.000 0.196 129 E C 2.222 178.822 176.600 0.001 0.000 1.000 129 E CA 1.616 58.015 56.400 -0.002 0.000 0.804 129 E CB -0.137 29.561 29.700 -0.002 0.000 0.740 129 E HN 0.556 nan 8.360 nan 0.000 0.454 130 E N 0.766 120.968 120.200 0.002 0.000 2.112 130 E HA -0.113 4.239 4.350 0.004 0.000 0.190 130 E C 1.802 178.407 176.600 0.008 0.000 0.979 130 E CA 0.352 56.756 56.400 0.006 0.000 0.814 130 E CB -0.110 29.594 29.700 0.007 0.000 0.762 130 E HN 0.102 nan 8.360 nan 0.000 0.460 131 L N 0.862 122.090 121.223 0.007 0.000 2.191 131 L HA -0.096 4.247 4.340 0.004 0.000 0.212 131 L C 1.757 178.632 176.870 0.009 0.000 1.103 131 L CA 1.681 56.526 54.840 0.010 0.000 0.769 131 L CB -0.226 41.837 42.059 0.008 0.000 0.908 131 L HN 0.037 nan 8.230 nan 0.000 0.438 132 K N -1.107 119.297 120.400 0.006 0.000 2.097 132 K HA -0.053 4.269 4.320 0.004 0.000 0.205 132 K C 2.054 178.658 176.600 0.007 0.000 1.050 132 K CA 1.172 57.462 56.287 0.006 0.000 0.938 132 K CB -0.284 32.218 32.500 0.003 0.000 0.718 132 K HN 0.395 nan 8.250 nan 0.000 0.442 133 A N 1.163 123.988 122.820 0.007 0.000 1.968 133 A HA -0.048 4.274 4.320 0.004 0.000 0.217 133 A C 1.954 179.545 177.584 0.011 0.000 1.169 133 A CA 1.019 53.061 52.037 0.008 0.000 0.638 133 A CB -0.379 18.626 19.000 0.008 0.000 0.812 133 A HN 0.149 nan 8.150 nan 0.000 0.446 134 L N -0.422 120.809 121.223 0.013 0.000 2.492 134 L HA 0.064 4.406 4.340 0.004 0.000 0.223 134 L C 1.113 177.992 176.870 0.016 0.000 1.132 134 L CA -0.164 54.685 54.840 0.016 0.000 0.850 134 L CB -0.235 41.836 42.059 0.019 0.000 0.966 134 L HN 0.216 nan 8.230 nan 0.000 0.454 135 S N 0.353 116.062 115.700 0.014 0.000 2.546 135 S HA 0.095 4.567 4.470 0.004 0.000 0.290 135 S C 0.031 174.638 174.600 0.012 0.000 1.290 135 S CA -0.377 57.830 58.200 0.013 0.000 1.069 135 S CB 0.561 63.767 63.200 0.010 0.000 0.846 135 S HN -0.044 nan 8.310 nan 0.000 0.495 136 V N 8.985 128.906 119.914 0.013 0.000 2.385 136 V HA 0.306 4.428 4.120 0.004 0.000 0.269 136 V C -1.940 174.159 176.094 0.009 0.000 1.043 136 V CA -1.798 60.509 62.300 0.012 0.000 0.906 136 V CB 0.913 32.744 31.823 0.013 0.000 0.995 136 V HN 0.715 nan 8.190 nan 0.000 0.467 137 P HA 0.140 nan 4.420 nan 0.000 0.272 137 P C -0.513 176.791 177.300 0.005 0.000 1.223 137 P CA -0.302 62.801 63.100 0.006 0.000 0.784 137 P CB 0.521 32.224 31.700 0.005 0.000 0.923 138 C N 2.272 121.574 119.300 0.004 0.000 3.002 138 C HA 0.494 4.956 4.460 0.004 0.000 0.248 138 C C 1.045 176.035 174.990 0.001 0.000 1.153 138 C CA 0.121 59.141 59.018 0.003 0.000 1.502 138 C CB -1.350 26.391 27.740 0.003 0.000 1.805 138 C HN 0.551 nan 8.230 nan 0.000 0.450 139 S N 1.738 117.439 115.700 0.001 0.000 2.731 139 S HA 0.147 4.619 4.470 0.004 0.000 0.244 139 S C 0.253 174.853 174.600 0.001 0.000 1.084 139 S CA 0.201 58.401 58.200 0.001 0.000 0.877 139 S CB 0.120 63.320 63.200 0.002 0.000 0.798 139 S HN 0.941 nan 8.310 nan 0.000 0.496 140 D N 1.062 121.463 120.400 0.001 0.000 2.423 140 D HA 0.338 4.980 4.640 0.004 0.000 0.255 140 D C 1.055 177.356 176.300 0.001 0.000 1.174 140 D CA -0.057 53.944 54.000 0.001 0.000 1.008 140 D CB 0.499 41.301 40.800 0.002 0.000 1.101 140 D HN 0.103 nan 8.370 nan 0.000 0.516 141 S N -0.864 114.836 115.700 0.001 0.000 2.461 141 S HA -0.163 4.309 4.470 0.004 0.000 0.228 141 S C 1.601 176.202 174.600 0.002 0.000 1.005 141 S CA 0.488 58.688 58.200 0.001 0.000 0.942 141 S CB -0.414 62.787 63.200 0.001 0.000 0.776 141 S HN 0.514 nan 8.310 nan 0.000 0.514 142 K N 1.677 122.078 120.400 0.002 0.000 2.002 142 K HA -0.056 4.266 4.320 0.004 0.000 0.209 142 K C 2.399 179.000 176.600 0.003 0.000 1.048 142 K CA 1.330 57.619 56.287 0.002 0.000 0.930 142 K CB -0.722 31.780 32.500 0.003 0.000 0.714 142 K HN 0.444 nan 8.250 nan 0.000 0.438 143 A N 1.432 124.254 122.820 0.003 0.000 1.908 143 A HA -0.185 4.137 4.320 0.004 0.000 0.218 143 A C 2.124 179.710 177.584 0.003 0.000 1.181 143 A CA 1.702 53.741 52.037 0.004 0.000 0.627 143 A CB -0.647 18.355 19.000 0.004 0.000 0.818 143 A HN 0.370 nan 8.150 nan 0.000 0.445 144 I N -0.362 120.210 120.570 0.002 0.000 2.226 144 I HA -0.295 3.877 4.170 0.004 0.000 0.245 144 I C 2.961 179.079 176.117 0.003 0.000 1.100 144 I CA 1.095 62.396 61.300 0.002 0.000 1.374 144 I CB -0.303 37.697 38.000 -0.000 0.000 1.057 144 I HN 0.369 nan 8.210 nan 0.000 0.413 145 A N -0.122 122.700 122.820 0.003 0.000 1.902 145 A HA -0.261 4.062 4.320 0.004 0.000 0.217 145 A C 2.263 179.849 177.584 0.004 0.000 1.181 145 A CA 1.548 53.587 52.037 0.003 0.000 0.623 145 A CB -0.614 18.388 19.000 0.002 0.000 0.818 145 A HN 0.437 nan 8.150 nan 0.000 0.443 146 Q N -0.584 119.218 119.800 0.004 0.000 2.030 146 Q HA -0.153 4.189 4.340 0.004 0.000 0.204 146 Q C 2.169 178.172 176.000 0.005 0.000 0.986 146 Q CA 2.016 57.822 55.803 0.004 0.000 0.843 146 Q CB -0.329 28.412 28.738 0.005 0.000 0.904 146 Q HN 0.482 nan 8.270 nan 0.000 0.420 147 V N -0.017 119.901 119.914 0.006 0.000 2.343 147 V HA -0.227 3.895 4.120 0.004 0.000 0.247 147 V C 2.167 178.267 176.094 0.009 0.000 1.051 147 V CA 1.951 64.256 62.300 0.008 0.000 1.036 147 V CB -1.159 30.669 31.823 0.008 0.000 0.654 147 V HN 0.581 nan 8.190 nan 0.000 0.451 148 G N -0.598 108.207 108.800 0.008 0.000 2.421 148 G HA2 -0.251 3.711 3.960 0.004 0.000 0.216 148 G HA3 -0.251 3.711 3.960 0.004 0.000 0.216 148 G C 1.700 176.605 174.900 0.009 0.000 1.171 148 G CA 1.562 46.668 45.100 0.010 0.000 0.775 148 G HN 0.457 nan 8.290 nan 0.000 0.543 149 T N 1.357 115.915 114.554 0.006 0.000 2.652 149 T HA -0.100 4.253 4.350 0.004 0.000 0.267 149 T C 2.392 177.095 174.700 0.004 0.000 1.039 149 T CA 1.211 63.313 62.100 0.004 0.000 1.153 149 T CB -0.218 68.652 68.868 0.003 0.000 0.863 149 T HN 0.235 nan 8.240 nan 0.000 0.428 150 I N 1.376 121.948 120.570 0.004 0.000 2.286 150 I HA -0.154 4.018 4.170 0.004 0.000 0.248 150 I C 2.367 178.487 176.117 0.005 0.000 1.115 150 I CA 1.020 62.321 61.300 0.003 0.000 1.392 150 I CB -0.256 37.746 38.000 0.003 0.000 1.065 150 I HN 0.201 nan 8.210 nan 0.000 0.418 151 S N 0.586 116.292 115.700 0.010 0.000 2.522 151 S HA 0.109 4.581 4.470 0.004 0.000 0.227 151 S C 1.519 176.126 174.600 0.011 0.000 0.986 151 S CA 0.700 58.909 58.200 0.014 0.000 0.929 151 S CB -0.017 63.197 63.200 0.024 0.000 0.769 151 S HN 0.469 nan 8.310 nan 0.000 0.529 152 A N 1.581 124.405 122.820 0.008 0.000 2.610 152 A HA 0.498 4.821 4.320 0.004 0.000 0.286 152 A C 0.636 178.221 177.584 0.001 0.000 1.306 152 A CA -0.450 51.590 52.037 0.005 0.000 0.942 152 A CB -0.615 18.389 19.000 0.006 0.000 1.112 152 A HN 0.323 nan 8.150 nan 0.000 0.527 153 N N -0.241 118.459 118.700 -0.000 0.000 2.754 153 N HA -0.221 4.522 4.740 0.004 0.000 0.248 153 N C 0.179 175.686 175.510 -0.004 0.000 1.093 153 N CA 1.162 54.210 53.050 -0.004 0.000 0.699 153 N CB -1.903 36.581 38.487 -0.005 0.000 1.016 153 N HN 0.595 nan 8.380 nan 0.000 0.552 154 S N -1.771 113.927 115.700 -0.003 0.000 3.593 154 S HA -0.222 4.250 4.470 0.004 0.000 0.301 154 S C -0.401 174.198 174.600 -0.002 0.000 1.209 154 S CA 0.737 58.936 58.200 -0.003 0.000 0.878 154 S CB -1.167 62.030 63.200 -0.005 0.000 1.000 154 S HN 0.729 nan 8.310 nan 0.000 0.578 155 D N 1.458 121.858 120.400 -0.001 0.000 2.468 155 D HA 0.290 4.932 4.640 0.004 0.000 0.218 155 D C 1.103 177.404 176.300 0.001 0.000 1.155 155 D CA -0.291 53.709 54.000 -0.000 0.000 0.924 155 D CB 0.396 41.196 40.800 0.000 0.000 1.029 155 D HN 0.458 nan 8.370 nan 0.000 0.515 156 E N 1.085 121.285 120.200 0.000 0.000 2.209 156 E HA -0.158 4.195 4.350 0.004 0.000 0.196 156 E C 1.427 178.028 176.600 0.001 0.000 0.993 156 E CA 1.034 57.434 56.400 0.001 0.000 0.819 156 E CB 0.242 29.942 29.700 0.001 0.000 0.745 156 E HN 0.482 nan 8.360 nan 0.000 0.477 157 T N 0.917 115.471 114.554 0.001 0.000 2.597 157 T HA -0.189 4.163 4.350 0.004 0.000 0.267 157 T C 2.062 176.763 174.700 0.002 0.000 1.053 157 T CA 1.598 63.699 62.100 0.001 0.000 1.165 157 T CB -0.313 68.555 68.868 0.001 0.000 0.863 157 T HN 0.023 nan 8.240 nan 0.000 0.427 158 V N 1.139 121.055 119.914 0.003 0.000 2.626 158 V HA -0.057 4.065 4.120 0.004 0.000 0.252 158 V C 2.783 178.880 176.094 0.005 0.000 1.067 158 V CA 1.734 64.037 62.300 0.004 0.000 1.081 158 V CB -1.324 30.503 31.823 0.005 0.000 0.686 158 V HN 0.618 nan 8.190 nan 0.000 0.468 159 G N -0.400 108.402 108.800 0.004 0.000 2.404 159 G HA2 -0.266 3.697 3.960 0.004 0.000 0.215 159 G HA3 -0.266 3.697 3.960 0.004 0.000 0.215 159 G C 1.639 176.541 174.900 0.003 0.000 1.174 159 G CA 0.907 46.010 45.100 0.004 0.000 0.780 159 G HN 0.451 nan 8.290 nan 0.000 0.537 160 K N -0.042 120.359 120.400 0.003 0.000 2.063 160 K HA 0.025 4.348 4.320 0.004 0.000 0.208 160 K C 2.528 179.129 176.600 0.002 0.000 1.048 160 K CA 0.844 57.133 56.287 0.002 0.000 0.928 160 K CB -0.279 32.222 32.500 0.001 0.000 0.713 160 K HN 0.324 nan 8.250 nan 0.000 0.442 161 L N 0.759 121.983 121.223 0.002 0.000 1.989 161 L HA -0.222 4.120 4.340 0.004 0.000 0.211 161 L C 2.431 179.302 176.870 0.002 0.000 1.071 161 L CA 1.335 56.176 54.840 0.002 0.000 0.749 161 L CB -0.300 41.761 42.059 0.003 0.000 0.890 161 L HN 0.240 nan 8.230 nan 0.000 0.431 162 I N -0.526 120.046 120.570 0.003 0.000 2.286 162 I HA -0.273 3.900 4.170 0.004 0.000 0.248 162 I C 2.709 178.826 176.117 0.001 0.000 1.115 162 I CA 1.128 62.430 61.300 0.003 0.000 1.392 162 I CB -0.410 37.593 38.000 0.005 0.000 1.065 162 I HN 0.208 nan 8.210 nan 0.000 0.418 163 A N 0.291 123.112 122.820 0.001 0.000 1.930 163 A HA -0.206 4.116 4.320 0.004 0.000 0.217 163 A C 2.220 179.804 177.584 0.000 0.000 1.175 163 A CA 1.584 53.621 52.037 0.001 0.000 0.627 163 A CB -0.488 18.513 19.000 0.001 0.000 0.815 163 A HN 0.436 nan 8.150 nan 0.000 0.443 164 E N -0.261 119.939 120.200 0.000 0.000 2.047 164 E HA -0.071 4.281 4.350 0.004 0.000 0.191 164 E C 2.381 178.981 176.600 -0.000 0.000 0.987 164 E CA 0.853 57.253 56.400 0.000 0.000 0.799 164 E CB -0.298 29.402 29.700 0.000 0.000 0.752 164 E HN 0.596 nan 8.360 nan 0.000 0.449 165 A N 1.309 124.129 122.820 -0.000 0.000 1.908 165 A HA -0.217 4.105 4.320 0.004 0.000 0.218 165 A C 2.165 179.748 177.584 -0.002 0.000 1.181 165 A CA 1.581 53.618 52.037 -0.001 0.000 0.627 165 A CB -0.513 18.487 19.000 -0.000 0.000 0.818 165 A HN 0.165 nan 8.150 nan 0.000 0.445 166 M N -1.243 118.356 119.600 -0.002 0.000 2.374 166 M HA -0.121 4.361 4.480 0.004 0.000 0.264 166 M C 1.651 177.950 176.300 -0.002 0.000 1.067 166 M CA 1.703 57.001 55.300 -0.003 0.000 1.103 166 M CB -0.393 32.204 32.600 -0.004 0.000 1.402 166 M HN 0.518 nan 8.290 nan 0.000 0.444 167 D N 0.308 120.707 120.400 -0.001 0.000 2.249 167 D HA -0.087 4.555 4.640 0.004 0.000 0.205 167 D C 2.017 178.317 176.300 -0.001 0.000 0.962 167 D CA 0.918 54.917 54.000 -0.001 0.000 0.860 167 D CB 0.378 41.178 40.800 -0.000 0.000 0.955 167 D HN -0.004 nan 8.370 nan 0.000 0.505 168 K N -0.050 120.349 120.400 -0.001 0.000 2.007 168 K HA -0.014 4.308 4.320 0.004 0.000 0.206 168 K C 1.941 178.541 176.600 -0.001 0.000 1.047 168 K CA 1.281 57.567 56.287 -0.000 0.000 0.937 168 K CB -0.348 32.152 32.500 -0.000 0.000 0.718 168 K HN 0.270 nan 8.250 nan 0.000 0.438 169 V N -2.812 117.102 119.914 -0.001 0.000 3.578 169 V HA 0.400 4.522 4.120 0.004 0.000 0.290 169 V C 0.538 176.631 176.094 -0.001 0.000 1.376 169 V CA 0.155 62.455 62.300 -0.001 0.000 1.083 169 V CB -0.334 31.489 31.823 -0.000 0.000 0.911 169 V HN 0.368 nan 8.190 nan 0.000 0.433 170 G N 2.064 110.863 108.800 -0.002 0.000 2.692 170 G HA2 -0.158 3.804 3.960 0.004 0.000 0.686 170 G HA3 -0.158 3.804 3.960 0.004 0.000 0.686 170 G C 0.157 175.054 174.900 -0.005 0.000 1.243 170 G CA -0.111 44.987 45.100 -0.003 0.000 0.782 170 G HN 0.651 nan 8.290 nan 0.000 0.625 171 K N -0.242 120.155 120.400 -0.005 0.000 2.365 171 K HA 0.029 4.351 4.320 0.004 0.000 0.199 171 K C 0.902 177.495 176.600 -0.011 0.000 1.045 171 K CA 1.571 57.853 56.287 -0.008 0.000 0.962 171 K CB 0.297 32.792 32.500 -0.007 0.000 0.759 171 K HN 0.489 nan 8.250 nan 0.000 0.469 172 E N 1.581 121.776 120.200 -0.009 0.000 2.465 172 E HA 0.105 4.457 4.350 0.004 0.000 0.195 172 E C 0.589 177.185 176.600 -0.007 0.000 1.028 172 E CA -0.036 56.358 56.400 -0.009 0.000 0.899 172 E CB 0.834 30.530 29.700 -0.005 0.000 1.032 172 E HN 0.396 nan 8.360 nan 0.000 0.468 173 G N 0.683 109.480 108.800 -0.006 0.000 2.547 173 G HA2 0.329 4.292 3.960 0.004 0.000 0.291 173 G HA3 0.329 4.292 3.960 0.004 0.000 0.291 173 G C 0.053 174.950 174.900 -0.006 0.000 1.211 173 G CA -0.509 44.589 45.100 -0.003 0.000 0.950 173 G HN -0.030 nan 8.290 nan 0.000 0.504 174 V N 0.621 120.533 119.914 -0.002 0.000 2.530 174 V HA 0.322 4.444 4.120 0.004 0.000 0.282 174 V C 0.154 176.245 176.094 -0.005 0.000 1.048 174 V CA 0.164 62.461 62.300 -0.005 0.000 0.997 174 V CB 0.626 32.448 31.823 -0.001 0.000 0.987 174 V HN 0.430 nan 8.190 nan 0.000 0.477 175 I N 4.290 124.856 120.570 -0.007 0.000 2.478 175 I HA 0.422 4.594 4.170 0.004 0.000 0.287 175 I C 0.018 176.134 176.117 -0.002 0.000 1.042 175 I CA -0.133 61.164 61.300 -0.004 0.000 1.067 175 I CB 2.211 40.208 38.000 -0.004 0.000 1.233 175 I HN 0.581 nan 8.210 nan 0.000 0.431 176 T N 4.856 119.409 114.554 -0.001 0.000 2.950 176 T HA 0.673 5.025 4.350 0.004 0.000 0.288 176 T C -0.331 174.372 174.700 0.003 0.000 1.035 176 T CA -0.722 61.379 62.100 0.001 0.000 1.028 176 T CB 2.406 71.273 68.868 -0.002 0.000 1.109 176 T HN 0.416 nan 8.240 nan 0.000 0.514 177 V N -0.997 118.920 119.914 0.005 0.000 2.656 177 V HA 0.820 4.942 4.120 0.004 0.000 0.307 177 V C -0.965 175.130 176.094 0.002 0.000 1.051 177 V CA -0.823 61.480 62.300 0.005 0.000 0.893 177 V CB 1.725 33.553 31.823 0.008 0.000 0.999 177 V HN 0.946 nan 8.190 nan 0.000 0.426 178 E N 1.641 121.841 120.200 0.000 0.000 2.410 178 E HA 0.435 4.787 4.350 0.004 0.000 0.269 178 E C -1.565 175.034 176.600 -0.002 0.000 0.937 178 E CA -1.082 55.317 56.400 -0.002 0.000 0.793 178 E CB 1.651 31.348 29.700 -0.004 0.000 1.314 178 E HN 0.783 nan 8.360 nan 0.000 0.447 179 D N 0.981 121.379 120.400 -0.003 0.000 2.455 179 D HA 0.164 4.806 4.640 0.004 0.000 0.241 179 D C 0.194 176.492 176.300 -0.003 0.000 1.138 179 D CA 0.350 54.349 54.000 -0.003 0.000 0.877 179 D CB 0.856 41.654 40.800 -0.004 0.000 1.187 179 D HN 0.496 nan 8.370 nan 0.000 0.451 180 G N -0.020 108.778 108.800 -0.003 0.000 2.634 180 G HA2 0.262 4.224 3.960 0.004 0.000 0.255 180 G HA3 0.262 4.224 3.960 0.004 0.000 0.255 180 G C 1.048 175.945 174.900 -0.004 0.000 1.205 180 G CA -0.069 45.029 45.100 -0.003 0.000 0.884 180 G HN 0.475 nan 8.290 nan 0.000 0.549 181 T N -2.779 111.772 114.554 -0.004 0.000 3.037 181 T HA 0.460 4.812 4.350 0.004 0.000 0.251 181 T C 1.115 175.813 174.700 -0.003 0.000 1.079 181 T CA 0.958 63.056 62.100 -0.004 0.000 1.067 181 T CB 0.282 69.147 68.868 -0.004 0.000 0.948 181 T HN 1.072 nan 8.240 nan 0.000 0.496 182 G N 0.349 109.147 108.800 -0.003 0.000 2.894 182 G HA2 0.450 4.412 3.960 0.004 0.000 0.164 182 G HA3 0.450 4.412 3.960 0.004 0.000 0.164 182 G C -0.085 174.814 174.900 -0.002 0.000 1.180 182 G CA 0.006 45.105 45.100 -0.003 0.000 0.997 182 G HN 0.097 nan 8.290 nan 0.000 0.572 183 L N 0.099 121.321 121.223 -0.002 0.000 2.162 183 L HA 0.349 4.691 4.340 0.004 0.000 0.205 183 L C 0.856 177.725 176.870 -0.001 0.000 1.086 183 L CA 1.202 56.041 54.840 -0.002 0.000 0.778 183 L CB -0.371 41.687 42.059 -0.002 0.000 0.928 183 L HN 0.489 nan 8.230 nan 0.000 0.446 184 Q N 0.383 120.182 119.800 -0.001 0.000 2.214 184 Q HA 0.174 4.516 4.340 0.004 0.000 0.251 184 Q C -0.856 175.143 176.000 -0.001 0.000 0.936 184 Q CA -0.867 54.935 55.803 -0.001 0.000 0.894 184 Q CB 1.420 30.157 28.738 -0.001 0.000 1.252 184 Q HN 0.143 nan 8.270 nan 0.000 0.448 185 D N 1.820 122.219 120.400 -0.001 0.000 2.372 185 D HA 0.119 4.761 4.640 0.004 0.000 0.243 185 D C -0.580 175.720 176.300 -0.001 0.000 1.121 185 D CA 0.368 54.368 54.000 -0.001 0.000 0.898 185 D CB 0.846 41.646 40.800 0.000 0.000 1.202 185 D HN 0.354 nan 8.370 nan 0.000 0.428 186 E N 0.206 120.405 120.200 -0.001 0.000 2.293 186 E HA 0.503 4.855 4.350 0.004 0.000 0.270 186 E C -1.067 175.533 176.600 -0.001 0.000 0.879 186 E CA -0.931 55.469 56.400 -0.001 0.000 0.756 186 E CB 2.481 32.180 29.700 -0.002 0.000 1.208 186 E HN 0.074 nan 8.360 nan 0.000 0.428 187 L N 3.683 124.905 121.223 -0.001 0.000 2.372 187 L HA 0.430 4.772 4.340 0.004 0.000 0.273 187 L C -1.779 175.091 176.870 -0.001 0.000 0.989 187 L CA -0.339 54.501 54.840 -0.001 0.000 0.841 187 L CB 1.038 43.097 42.059 -0.000 0.000 1.225 187 L HN 0.494 nan 8.230 nan 0.000 0.414 188 D N 3.899 124.298 120.400 -0.001 0.000 2.547 188 D HA 0.467 5.109 4.640 0.004 0.000 0.231 188 D C -0.976 175.324 176.300 -0.001 0.000 1.099 188 D CA -0.552 53.447 54.000 -0.001 0.000 0.901 188 D CB 2.214 43.013 40.800 -0.002 0.000 1.478 188 D HN 0.208 nan 8.370 nan 0.000 0.471 189 V N 0.719 120.633 119.914 -0.000 0.000 2.370 189 V HA 0.433 4.556 4.120 0.004 0.000 0.283 189 V C 0.532 176.626 176.094 0.001 0.000 1.023 189 V CA -0.730 61.571 62.300 0.000 0.000 0.857 189 V CB 1.024 32.847 31.823 0.001 0.000 0.985 189 V HN 0.594 nan 8.190 nan 0.000 0.443 190 V N 1.714 121.628 119.914 0.001 0.000 2.994 190 V HA 0.690 4.812 4.120 0.004 0.000 0.318 190 V C -0.021 176.075 176.094 0.005 0.000 1.085 190 V CA -0.996 61.305 62.300 0.002 0.000 0.998 190 V CB 1.930 33.753 31.823 -0.000 0.000 1.063 190 V HN 0.668 nan 8.190 nan 0.000 0.447 191 E N 1.457 121.660 120.200 0.006 0.000 2.415 191 E HA 0.572 4.924 4.350 0.004 0.000 0.263 191 E C 0.320 176.928 176.600 0.014 0.000 0.995 191 E CA 1.150 57.556 56.400 0.010 0.000 0.915 191 E CB 0.824 30.529 29.700 0.010 0.000 0.951 191 E HN 1.268 nan 8.360 nan 0.000 0.449 192 G N 1.233 110.045 108.800 0.020 0.000 2.320 192 G HA2 0.477 4.439 3.960 0.004 0.000 0.296 192 G HA3 0.477 4.439 3.960 0.004 0.000 0.296 192 G C -1.321 173.602 174.900 0.038 0.000 1.306 192 G CA -0.729 44.387 45.100 0.028 0.000 0.836 192 G HN 0.397 nan 8.290 nan 0.000 0.517 193 M N -0.000 119.631 119.600 0.052 0.000 2.523 193 M HA 0.468 4.950 4.480 0.004 0.000 0.287 193 M C -2.013 174.336 176.300 0.082 0.000 1.160 193 M CA -0.579 54.769 55.300 0.080 0.000 0.902 193 M CB 2.462 35.134 32.600 0.121 0.000 1.752 193 M HN 0.752 nan 8.290 nan 0.000 0.504 194 Q N 3.477 123.322 119.800 0.076 0.000 2.353 194 Q HA 0.757 5.099 4.340 0.004 0.000 0.268 194 Q C -2.034 174.034 176.000 0.114 0.000 1.045 194 Q CA -0.651 55.160 55.803 0.012 0.000 0.811 194 Q CB 1.981 30.705 28.738 -0.024 0.000 1.305 194 Q HN 0.557 nan 8.270 nan 0.000 0.447 195 F N -0.148 119.805 119.950 0.005 0.000 2.603 195 F HA 0.496 5.025 4.527 0.004 0.000 0.317 195 F C -0.517 175.287 175.800 0.006 0.000 1.066 195 F CA -1.154 56.850 58.000 0.006 0.000 0.941 195 F CB 1.221 40.227 39.000 0.009 0.000 1.291 195 F HN 0.339 nan 8.300 nan 0.000 0.472 196 D N 3.043 123.580 120.400 0.228 0.000 2.934 196 D HA 0.138 4.780 4.640 0.004 0.000 0.237 196 D C -0.310 176.067 176.300 0.128 0.000 1.158 196 D CA 0.298 54.362 54.000 0.106 0.000 0.971 196 D CB -0.064 40.793 40.800 0.094 0.000 1.123 196 D HN 0.284 nan 8.370 nan 0.000 0.467 197 R N 0.077 120.628 120.500 0.084 0.000 2.574 197 R HA 0.521 4.863 4.340 0.004 0.000 0.288 197 R C 0.288 176.550 176.300 -0.064 0.000 1.004 197 R CA -0.716 55.434 56.100 0.083 0.000 0.895 197 R CB 2.141 32.616 30.300 0.292 0.000 1.191 197 R HN 0.140 nan 8.270 nan 0.000 0.444 198 G N 1.003 109.744 108.800 -0.098 0.000 2.642 198 G HA2 0.461 4.423 3.960 0.004 0.000 0.291 198 G HA3 0.461 4.423 3.960 0.004 0.000 0.291 198 G C -0.627 174.200 174.900 -0.121 0.000 1.345 198 G CA -0.545 44.419 45.100 -0.227 0.000 1.043 198 G HN 0.441 nan 8.290 nan 0.000 0.528 199 Y N -1.506 118.843 120.300 0.082 0.000 2.426 199 Y HA 0.410 4.962 4.550 0.004 0.000 0.344 199 Y C 1.198 177.209 175.900 0.185 0.000 1.256 199 Y CA -0.973 57.232 58.100 0.175 0.000 1.451 199 Y CB 0.509 39.112 38.460 0.239 0.000 1.342 199 Y HN 0.165 nan 8.280 nan 0.000 0.600 200 L N 1.226 122.763 121.223 0.523 0.000 2.529 200 L HA 0.153 4.495 4.340 0.004 0.000 0.223 200 L C 0.392 177.422 176.870 0.268 0.000 1.113 200 L CA 0.585 55.633 54.840 0.347 0.000 0.861 200 L CB -0.075 42.178 42.059 0.323 0.000 1.012 200 L HN 0.822 nan 8.230 nan 0.000 0.461 201 S N -2.708 113.133 115.700 0.234 0.000 2.541 201 S HA 0.423 4.896 4.470 0.004 0.000 0.271 201 S C -2.456 172.004 174.600 -0.234 0.000 1.133 201 S CA -1.135 57.027 58.200 -0.064 0.000 0.876 201 S CB 1.893 64.927 63.200 -0.276 0.000 1.105 201 S HN -0.273 nan 8.310 nan 0.000 0.470 202 P HA -0.030 nan 4.420 nan 0.000 0.221 202 P C 0.568 177.503 177.300 -0.608 0.000 1.145 202 P CA 0.970 63.692 63.100 -0.631 0.000 0.795 202 P CB -0.216 31.202 31.700 -0.471 0.000 0.775 203 Y N -2.098 117.959 120.300 -0.405 0.000 2.333 203 Y HA -0.111 4.441 4.550 0.004 0.000 0.290 203 Y C 1.888 177.632 175.900 -0.260 0.000 1.144 203 Y CA 0.800 58.699 58.100 -0.335 0.000 1.228 203 Y CB -1.400 36.853 38.460 -0.345 0.000 0.985 203 Y HN -0.069 nan 8.280 nan 0.000 0.542 204 F N -0.132 119.792 119.950 -0.043 0.000 2.451 204 F HA -0.057 4.472 4.527 0.003 0.000 0.299 204 F C 1.014 176.747 175.800 -0.112 0.000 1.101 204 F CA -0.340 57.627 58.000 -0.055 0.000 1.436 204 F CB -1.181 37.797 39.000 -0.036 0.000 1.074 204 F HN -0.135 nan 8.300 nan 0.000 0.553 205 I N 2.522 123.045 120.570 -0.077 0.000 2.752 205 I HA -0.172 4.000 4.170 0.004 0.000 0.286 205 I C 1.032 177.139 176.117 -0.018 0.000 1.180 205 I CA 0.240 61.477 61.300 -0.106 0.000 1.404 205 I CB 0.155 38.023 38.000 -0.219 0.000 1.389 205 I HN 0.157 nan 8.210 nan 0.000 0.549 206 N N 5.524 124.229 118.700 0.008 0.000 2.282 206 N HA 0.002 4.745 4.740 0.004 0.000 0.185 206 N C 0.068 175.581 175.510 0.004 0.000 1.099 206 N CA 0.181 53.240 53.050 0.016 0.000 0.878 206 N CB 0.324 38.826 38.487 0.026 0.000 0.993 206 N HN 0.415 nan 8.380 nan 0.000 0.481 207 K N 1.254 121.653 120.400 -0.001 0.000 2.682 207 K HA 0.274 4.596 4.320 0.004 0.000 0.189 207 K C -2.026 174.569 176.600 -0.007 0.000 1.062 207 K CA -1.781 54.505 56.287 -0.001 0.000 0.997 207 K CB 1.771 34.274 32.500 0.004 0.000 1.405 207 K HN 0.016 nan 8.250 nan 0.000 0.588 208 P HA -0.179 nan 4.420 nan 0.000 0.224 208 P C 0.253 177.545 177.300 -0.013 0.000 1.142 208 P CA 1.177 64.265 63.100 -0.020 0.000 0.778 208 P CB 0.438 32.127 31.700 -0.019 0.000 0.764 209 E N -0.589 119.606 120.200 -0.009 0.000 2.107 209 E HA -0.066 4.286 4.350 0.004 0.000 0.191 209 E C 1.634 178.228 176.600 -0.009 0.000 0.982 209 E CA 1.423 57.817 56.400 -0.010 0.000 0.809 209 E CB -0.991 28.705 29.700 -0.008 0.000 0.756 209 E HN 0.220 nan 8.360 nan 0.000 0.459 210 T N -0.874 113.679 114.554 -0.002 0.000 3.086 210 T HA 0.222 4.574 4.350 0.004 0.000 0.250 210 T C 1.124 175.836 174.700 0.020 0.000 1.074 210 T CA 0.377 62.480 62.100 0.005 0.000 0.988 210 T CB 0.413 69.289 68.868 0.014 0.000 0.988 210 T HN 0.355 nan 8.240 nan 0.000 0.530 211 G N 1.790 110.598 108.800 0.014 0.000 2.305 211 G HA2 -0.040 3.922 3.960 0.004 0.000 0.287 211 G HA3 -0.040 3.922 3.960 0.004 0.000 0.287 211 G C 0.119 175.064 174.900 0.074 0.000 1.036 211 G CA 0.178 45.294 45.100 0.027 0.000 0.887 211 G HN 0.898 nan 8.290 nan 0.000 0.505 212 A N -1.431 121.420 122.820 0.051 0.000 2.387 212 A HA 0.923 5.245 4.320 0.004 0.000 0.303 212 A C -0.213 177.401 177.584 0.049 0.000 1.145 212 A CA -0.342 51.748 52.037 0.088 0.000 0.801 212 A CB 2.066 21.107 19.000 0.069 0.000 1.342 212 A HN 1.159 nan 8.150 nan 0.000 0.440 213 V N 1.010 120.974 119.914 0.083 0.000 2.417 213 V HA 0.489 4.612 4.120 0.004 0.000 0.291 213 V C -0.135 175.982 176.094 0.039 0.000 1.024 213 V CA -0.354 61.982 62.300 0.060 0.000 0.861 213 V CB 1.164 33.045 31.823 0.095 0.000 0.985 213 V HN 0.913 nan 8.190 nan 0.000 0.436 214 E N 4.393 124.606 120.200 0.021 0.000 2.199 214 E HA 0.701 5.053 4.350 0.004 0.000 0.265 214 E C -1.710 174.889 176.600 -0.002 0.000 0.882 214 E CA -0.598 55.806 56.400 0.007 0.000 0.759 214 E CB 1.829 31.532 29.700 0.005 0.000 1.148 214 E HN 0.601 nan 8.360 nan 0.000 0.412 215 L N 3.153 124.369 121.223 -0.011 0.000 2.386 215 L HA 0.487 4.829 4.340 0.004 0.000 0.271 215 L C -0.557 176.294 176.870 -0.030 0.000 0.993 215 L CA -0.760 54.067 54.840 -0.021 0.000 0.819 215 L CB 2.161 44.205 42.059 -0.026 0.000 1.294 215 L HN 0.463 nan 8.230 nan 0.000 0.414 216 E N 1.379 121.556 120.200 -0.038 0.000 2.158 216 E HA 0.319 4.671 4.350 0.004 0.000 0.271 216 E C -0.429 176.124 176.600 -0.079 0.000 0.911 216 E CA -0.550 55.820 56.400 -0.049 0.000 0.767 216 E CB 1.673 31.351 29.700 -0.038 0.000 1.120 216 E HN 0.605 nan 8.360 nan 0.000 0.405 217 S N 2.168 117.811 115.700 -0.095 0.000 3.550 217 S HA -0.126 4.346 4.470 0.004 0.000 0.372 217 S C -2.224 172.233 174.600 -0.239 0.000 0.966 217 S CA 0.267 58.375 58.200 -0.153 0.000 1.229 217 S CB -1.320 61.789 63.200 -0.152 0.000 0.917 217 S HN 0.467 nan 8.310 nan 0.000 0.496 218 P HA 0.536 nan 4.420 nan 0.000 0.282 218 P C -0.037 177.130 177.300 -0.222 0.000 1.259 218 P CA -0.713 62.282 63.100 -0.176 0.000 0.826 218 P CB 0.508 32.172 31.700 -0.060 0.000 1.064 219 F N 0.712 120.660 119.950 -0.004 0.000 2.389 219 F HA 0.335 4.864 4.527 0.004 0.000 0.337 219 F C 0.985 176.784 175.800 -0.001 0.000 1.112 219 F CA 0.019 58.018 58.000 -0.002 0.000 1.192 219 F CB 0.244 39.242 39.000 -0.004 0.000 1.185 219 F HN 0.054 nan 8.300 nan 0.000 0.552 220 I N 4.237 124.943 120.570 0.225 0.000 2.411 220 I HA 0.203 4.376 4.170 0.004 0.000 0.284 220 I C -1.050 175.124 176.117 0.095 0.000 1.012 220 I CA -0.789 60.586 61.300 0.125 0.000 1.119 220 I CB 1.459 39.517 38.000 0.096 0.000 1.261 220 I HN 0.272 nan 8.210 nan 0.000 0.448 221 L N 8.382 129.645 121.223 0.067 0.000 2.315 221 L HA 0.384 4.726 4.340 0.004 0.000 0.283 221 L C -0.740 176.147 176.870 0.029 0.000 1.089 221 L CA 0.231 55.092 54.840 0.035 0.000 0.833 221 L CB 0.389 42.460 42.059 0.020 0.000 1.170 221 L HN 0.460 nan 8.230 nan 0.000 0.442 222 L N 6.787 128.020 121.223 0.018 0.000 2.321 222 L HA 0.625 4.967 4.340 0.004 0.000 0.272 222 L C 0.115 176.984 176.870 -0.001 0.000 1.050 222 L CA -0.299 54.545 54.840 0.006 0.000 0.893 222 L CB 0.808 42.866 42.059 -0.001 0.000 1.272 222 L HN 0.768 nan 8.230 nan 0.000 0.435 223 A N 1.279 124.101 122.820 0.002 0.000 2.271 223 A HA 0.384 4.707 4.320 0.004 0.000 0.317 223 A C -0.269 177.315 177.584 -0.000 0.000 1.245 223 A CA -0.472 51.567 52.037 0.002 0.000 0.857 223 A CB 0.664 19.669 19.000 0.009 0.000 1.175 223 A HN 0.631 nan 8.150 nan 0.000 0.512 224 D N 2.332 122.729 120.400 -0.004 0.000 2.896 224 D HA 0.372 5.014 4.640 0.004 0.000 0.240 224 D C -0.016 176.285 176.300 0.003 0.000 1.193 224 D CA 0.176 54.173 54.000 -0.006 0.000 0.983 224 D CB -0.602 40.191 40.800 -0.012 0.000 1.074 224 D HN 0.637 nan 8.370 nan 0.000 0.496 225 K N -1.034 119.372 120.400 0.010 0.000 2.772 225 K HA 0.277 4.600 4.320 0.004 0.000 0.292 225 K C -1.279 175.335 176.600 0.023 0.000 1.049 225 K CA -1.156 55.140 56.287 0.015 0.000 0.846 225 K CB 0.621 33.128 32.500 0.012 0.000 1.514 225 K HN -0.198 nan 8.250 nan 0.000 0.373 226 K N 1.242 121.658 120.400 0.026 0.000 2.276 226 K HA 0.352 4.674 4.320 0.004 0.000 0.283 226 K C -0.536 176.083 176.600 0.030 0.000 1.044 226 K CA -0.372 55.934 56.287 0.032 0.000 0.944 226 K CB 0.630 33.149 32.500 0.033 0.000 1.012 226 K HN 0.374 nan 8.250 nan 0.000 0.472 227 I N 2.597 123.189 120.570 0.037 0.000 2.306 227 I HA 0.044 4.216 4.170 0.004 0.000 0.288 227 I C 0.564 176.704 176.117 0.039 0.000 1.036 227 I CA 0.020 61.341 61.300 0.036 0.000 1.221 227 I CB 1.503 39.526 38.000 0.039 0.000 1.385 227 I HN 0.666 nan 8.210 nan 0.000 0.472 228 S N 3.549 119.268 115.700 0.032 0.000 2.566 228 S HA 0.180 4.653 4.470 0.004 0.000 0.234 228 S C 0.712 175.329 174.600 0.029 0.000 1.075 228 S CA -0.017 58.202 58.200 0.032 0.000 0.926 228 S CB 0.212 63.428 63.200 0.026 0.000 0.811 228 S HN 0.591 nan 8.310 nan 0.000 0.518 229 N N 1.806 120.520 118.700 0.024 0.000 2.479 229 N HA 0.285 5.027 4.740 0.004 0.000 0.285 229 N C 0.539 176.062 175.510 0.022 0.000 1.075 229 N CA -0.139 52.923 53.050 0.020 0.000 0.967 229 N CB 1.694 40.190 38.487 0.015 0.000 1.137 229 N HN 0.111 nan 8.380 nan 0.000 0.472 230 I N 2.504 123.087 120.570 0.022 0.000 2.315 230 I HA -0.215 3.957 4.170 0.004 0.000 0.248 230 I C 2.095 178.221 176.117 0.015 0.000 1.117 230 I CA 1.033 62.346 61.300 0.022 0.000 1.404 230 I CB 0.153 38.166 38.000 0.022 0.000 1.071 230 I HN 0.493 nan 8.210 nan 0.000 0.419 231 R N 0.869 121.376 120.500 0.011 0.000 2.159 231 R HA -0.285 4.058 4.340 0.004 0.000 0.249 231 R C 2.005 178.308 176.300 0.005 0.000 1.136 231 R CA 2.608 58.712 56.100 0.007 0.000 0.951 231 R CB -0.575 29.728 30.300 0.006 0.000 0.876 231 R HN 0.570 nan 8.270 nan 0.000 0.440 232 E N -0.289 119.915 120.200 0.007 0.000 2.118 232 E HA -0.210 4.142 4.350 0.004 0.000 0.195 232 E C 2.028 178.629 176.600 0.002 0.000 0.992 232 E CA 1.191 57.593 56.400 0.004 0.000 0.804 232 E CB -0.085 29.619 29.700 0.007 0.000 0.741 232 E HN 0.291 nan 8.360 nan 0.000 0.458 233 M N 0.378 119.982 119.600 0.006 0.000 2.236 233 M HA -0.029 4.453 4.480 0.004 0.000 0.266 233 M C 2.374 178.673 176.300 -0.001 0.000 1.070 233 M CA 0.972 56.275 55.300 0.005 0.000 1.137 233 M CB -0.838 31.770 32.600 0.014 0.000 1.378 233 M HN 0.145 nan 8.290 nan 0.000 0.426 234 L N 0.591 121.815 121.223 0.001 0.000 2.040 234 L HA -0.285 4.058 4.340 0.004 0.000 0.228 234 L C -0.259 176.606 176.870 -0.009 0.000 1.092 234 L CA 2.189 57.029 54.840 -0.001 0.000 0.805 234 L CB -2.625 39.434 42.059 0.000 0.000 0.905 234 L HN 0.194 nan 8.230 nan 0.000 0.443 235 P HA -0.121 nan 4.420 nan 0.000 0.216 235 P C 1.845 179.125 177.300 -0.033 0.000 1.150 235 P CA 1.501 64.588 63.100 -0.021 0.000 0.837 235 P CB -0.004 31.683 31.700 -0.021 0.000 0.786 236 V N 0.128 120.021 119.914 -0.035 0.000 2.453 236 V HA -0.169 3.954 4.120 0.004 0.000 0.247 236 V C 2.824 178.889 176.094 -0.049 0.000 1.048 236 V CA 1.287 63.554 62.300 -0.054 0.000 1.049 236 V CB -1.155 30.639 31.823 -0.048 0.000 0.672 236 V HN 0.001 nan 8.190 nan 0.000 0.457 237 L N -0.190 121.020 121.223 -0.023 0.000 2.046 237 L HA -0.185 4.157 4.340 0.004 0.000 0.208 237 L C 2.583 179.449 176.870 -0.007 0.000 1.077 237 L CA 1.749 56.584 54.840 -0.008 0.000 0.747 237 L CB -0.557 41.504 42.059 0.005 0.000 0.896 237 L HN 0.390 nan 8.230 nan 0.000 0.432 238 E N 0.094 120.286 120.200 -0.013 0.000 2.107 238 E HA -0.155 4.197 4.350 0.004 0.000 0.191 238 E C 2.295 178.883 176.600 -0.019 0.000 0.982 238 E CA 0.987 57.380 56.400 -0.010 0.000 0.809 238 E CB -0.156 29.538 29.700 -0.010 0.000 0.756 238 E HN 0.472 nan 8.360 nan 0.000 0.459 239 A N 0.994 123.788 122.820 -0.043 0.000 1.933 239 A HA -0.138 4.185 4.320 0.004 0.000 0.218 239 A C 2.471 180.007 177.584 -0.081 0.000 1.175 239 A CA 1.115 53.110 52.037 -0.070 0.000 0.628 239 A CB -0.542 18.393 19.000 -0.108 0.000 0.814 239 A HN 0.119 nan 8.150 nan 0.000 0.444 240 V N -0.214 119.656 119.914 -0.073 0.000 2.379 240 V HA -0.190 3.933 4.120 0.004 0.000 0.245 240 V C 3.033 179.173 176.094 0.075 0.000 1.044 240 V CA 1.646 63.947 62.300 0.001 0.000 1.036 240 V CB -1.263 30.584 31.823 0.041 0.000 0.664 240 V HN 0.601 nan 8.190 nan 0.000 0.453 241 A N -0.256 122.588 122.820 0.040 0.000 1.917 241 A HA -0.300 4.022 4.320 0.004 0.000 0.219 241 A C 2.335 179.944 177.584 0.042 0.000 1.182 241 A CA 2.273 54.334 52.037 0.040 0.000 0.633 241 A CB -0.493 18.521 19.000 0.023 0.000 0.819 241 A HN 0.514 nan 8.150 nan 0.000 0.448 242 K N -0.775 119.645 120.400 0.032 0.000 2.057 242 K HA -0.050 4.272 4.320 0.004 0.000 0.207 242 K C 2.105 178.737 176.600 0.055 0.000 1.049 242 K CA 1.075 57.381 56.287 0.031 0.000 0.931 242 K CB -0.271 32.238 32.500 0.014 0.000 0.714 242 K HN 0.448 nan 8.250 nan 0.000 0.440 243 A N 0.316 123.191 122.820 0.092 0.000 2.209 243 A HA 0.057 4.380 4.320 0.004 0.000 0.212 243 A C 1.316 178.975 177.584 0.125 0.000 1.158 243 A CA 1.069 53.195 52.037 0.149 0.000 0.742 243 A CB -0.547 18.644 19.000 0.318 0.000 0.790 243 A HN 0.472 nan 8.150 nan 0.000 0.472 244 G N -0.713 108.145 108.800 0.097 0.000 2.225 244 G HA2 -0.280 3.682 3.960 0.004 0.000 0.267 244 G HA3 -0.280 3.682 3.960 0.004 0.000 0.267 244 G C 0.101 175.034 174.900 0.054 0.000 1.024 244 G CA 0.902 46.040 45.100 0.062 0.000 0.784 244 G HN 0.630 nan 8.290 nan 0.000 0.507 245 K N 0.289 120.747 120.400 0.096 0.000 2.281 245 K HA 0.611 4.934 4.320 0.004 0.000 0.242 245 K C -2.308 174.333 176.600 0.069 0.000 0.971 245 K CA -2.050 54.254 56.287 0.028 0.000 0.834 245 K CB 2.368 34.788 32.500 -0.134 0.000 1.181 245 K HN 0.048 nan 8.250 nan 0.000 0.435 246 P HA 0.193 nan 4.420 nan 0.000 0.276 246 P C -1.303 176.037 177.300 0.066 0.000 1.252 246 P CA -0.607 62.510 63.100 0.029 0.000 0.802 246 P CB 0.705 32.400 31.700 -0.007 0.000 1.035 247 L N 2.042 123.299 121.223 0.056 0.000 2.362 247 L HA 0.509 4.851 4.340 0.004 0.000 0.275 247 L C -1.229 175.642 176.870 0.003 0.000 0.998 247 L CA -0.978 53.905 54.840 0.073 0.000 0.820 247 L CB 1.407 43.511 42.059 0.076 0.000 1.270 247 L HN 0.159 nan 8.230 nan 0.000 0.415 248 L N 6.279 127.515 121.223 0.022 0.000 2.272 248 L HA 0.558 4.900 4.340 0.004 0.000 0.289 248 L C -0.940 175.939 176.870 0.014 0.000 1.032 248 L CA -0.167 54.669 54.840 -0.006 0.000 0.810 248 L CB 0.910 42.981 42.059 0.020 0.000 1.205 248 L HN 0.423 nan 8.230 nan 0.000 0.422 249 I N 7.138 127.699 120.570 -0.015 0.000 2.312 249 I HA 0.239 4.411 4.170 0.004 0.000 0.291 249 I C 0.055 176.198 176.117 0.043 0.000 1.031 249 I CA -0.123 61.184 61.300 0.012 0.000 1.293 249 I CB 0.624 38.624 38.000 -0.000 0.000 1.403 249 I HN 0.540 nan 8.210 nan 0.000 0.484 250 I N 6.235 126.838 120.570 0.056 0.000 2.347 250 I HA 0.475 4.648 4.170 0.004 0.000 0.283 250 I C 0.438 176.576 176.117 0.036 0.000 1.058 250 I CA -0.218 61.123 61.300 0.068 0.000 1.202 250 I CB 0.945 38.985 38.000 0.067 0.000 1.386 250 I HN 0.630 nan 8.210 nan 0.000 0.475 251 A N 4.458 127.305 122.820 0.045 0.000 2.344 251 A HA 0.414 4.736 4.320 0.004 0.000 0.307 251 A C 1.027 178.633 177.584 0.036 0.000 1.151 251 A CA -0.544 51.513 52.037 0.034 0.000 0.842 251 A CB 1.267 20.291 19.000 0.040 0.000 1.350 251 A HN 0.715 nan 8.150 nan 0.000 0.459 252 E N -0.734 119.484 120.200 0.030 0.000 2.160 252 E HA -0.146 4.206 4.350 0.004 0.000 0.195 252 E C -0.460 176.171 176.600 0.052 0.000 0.991 252 E CA 1.564 57.986 56.400 0.036 0.000 0.810 252 E CB 0.141 29.860 29.700 0.032 0.000 0.742 252 E HN 0.624 nan 8.360 nan 0.000 0.466 253 D N -2.202 118.231 120.400 0.055 0.000 2.783 253 D HA 0.123 4.765 4.640 0.004 0.000 0.253 253 D C -1.962 174.379 176.300 0.069 0.000 1.206 253 D CA -0.490 53.549 54.000 0.066 0.000 0.740 253 D CB 1.755 42.590 40.800 0.059 0.000 1.313 253 D HN -0.148 nan 8.370 nan 0.000 0.427 254 V N 2.459 122.425 119.914 0.087 0.000 2.376 254 V HA 0.468 4.590 4.120 0.004 0.000 0.287 254 V C 0.066 176.215 176.094 0.092 0.000 1.015 254 V CA -0.636 61.719 62.300 0.092 0.000 0.834 254 V CB 1.351 33.246 31.823 0.120 0.000 1.001 254 V HN 0.426 nan 8.190 nan 0.000 0.428 255 E N 2.388 122.631 120.200 0.071 0.000 2.254 255 E HA 0.562 4.914 4.350 0.004 0.000 0.261 255 E C 1.338 177.973 176.600 0.058 0.000 1.051 255 E CA -0.041 56.396 56.400 0.061 0.000 0.902 255 E CB 1.453 31.181 29.700 0.046 0.000 1.168 255 E HN 0.694 nan 8.360 nan 0.000 0.423 256 G N 1.503 110.332 108.800 0.048 0.000 3.903 256 G HA2 -0.469 3.494 3.960 0.004 0.000 0.260 256 G HA3 -0.469 3.494 3.960 0.004 0.000 0.260 256 G C 1.251 176.175 174.900 0.039 0.000 0.882 256 G CA 1.421 46.544 45.100 0.039 0.000 0.749 256 G HN 0.679 nan 8.290 nan 0.000 1.415 257 E N 1.025 121.245 120.200 0.032 0.000 2.048 257 E HA -0.210 4.142 4.350 0.004 0.000 0.202 257 E C 3.016 179.638 176.600 0.037 0.000 1.021 257 E CA 2.103 58.520 56.400 0.029 0.000 0.825 257 E CB -0.691 29.023 29.700 0.024 0.000 0.756 257 E HN 0.501 nan 8.360 nan 0.000 0.454 258 A N 0.873 123.721 122.820 0.046 0.000 1.898 258 A HA -0.156 4.166 4.320 0.004 0.000 0.216 258 A C 2.270 179.903 177.584 0.083 0.000 1.181 258 A CA 1.392 53.464 52.037 0.057 0.000 0.620 258 A CB -0.687 18.346 19.000 0.056 0.000 0.819 258 A HN 0.322 nan 8.150 nan 0.000 0.442 259 L N -0.102 121.179 121.223 0.096 0.000 1.994 259 L HA -0.086 4.256 4.340 0.004 0.000 0.208 259 L C 2.759 179.688 176.870 0.099 0.000 1.071 259 L CA 2.249 57.171 54.840 0.136 0.000 0.745 259 L CB -0.854 41.282 42.059 0.128 0.000 0.892 259 L HN 0.360 nan 8.230 nan 0.000 0.431 260 A N -1.643 121.209 122.820 0.053 0.000 1.917 260 A HA -0.278 4.044 4.320 0.004 0.000 0.219 260 A C 2.277 179.869 177.584 0.013 0.000 1.182 260 A CA 2.619 54.666 52.037 0.016 0.000 0.633 260 A CB -1.308 17.697 19.000 0.008 0.000 0.819 260 A HN 0.553 nan 8.150 nan 0.000 0.448 261 T N 0.317 114.892 114.554 0.035 0.000 2.737 261 T HA -0.045 4.307 4.350 0.004 0.000 0.265 261 T C 1.814 176.552 174.700 0.063 0.000 1.038 261 T CA 1.391 63.512 62.100 0.035 0.000 1.144 261 T CB -0.379 68.510 68.868 0.035 0.000 0.866 261 T HN 0.384 nan 8.240 nan 0.000 0.434 262 L N 0.817 122.109 121.223 0.116 0.000 2.083 262 L HA -0.098 4.244 4.340 0.004 0.000 0.209 262 L C 2.653 179.671 176.870 0.247 0.000 1.083 262 L CA 0.854 55.810 54.840 0.194 0.000 0.752 262 L CB -0.780 41.444 42.059 0.274 0.000 0.899 262 L HN 0.150 nan 8.230 nan 0.000 0.433 263 V N -0.633 119.366 119.914 0.142 0.000 2.261 263 V HA -0.244 3.878 4.120 0.004 0.000 0.246 263 V C 2.418 178.472 176.094 -0.065 0.000 1.047 263 V CA 1.629 63.909 62.300 -0.033 0.000 1.015 263 V CB -0.264 31.455 31.823 -0.174 0.000 0.642 263 V HN 0.200 nan 8.190 nan 0.000 0.446 264 V N 0.482 120.358 119.914 -0.063 0.000 2.490 264 V HA -0.261 3.861 4.120 0.004 0.000 0.250 264 V C 1.964 178.044 176.094 -0.023 0.000 1.061 264 V CA 2.359 64.618 62.300 -0.070 0.000 1.064 264 V CB -0.982 30.806 31.823 -0.058 0.000 0.670 264 V HN 0.632 nan 8.190 nan 0.000 0.461 265 N N -0.028 118.683 118.700 0.019 0.000 2.395 265 N HA -0.097 4.645 4.740 0.004 0.000 0.175 265 N C 1.843 177.382 175.510 0.048 0.000 1.029 265 N CA 1.294 54.363 53.050 0.031 0.000 0.897 265 N CB 0.027 38.538 38.487 0.039 0.000 0.991 265 N HN 0.638 nan 8.380 nan 0.000 0.441 266 T N -1.431 113.176 114.554 0.087 0.000 3.088 266 T HA 0.054 4.406 4.350 0.004 0.000 0.259 266 T C 1.700 176.440 174.700 0.067 0.000 1.122 266 T CA 0.290 62.451 62.100 0.102 0.000 1.095 266 T CB 0.050 69.037 68.868 0.198 0.000 0.930 266 T HN -0.021 nan 8.240 nan 0.000 0.508 267 M N 1.232 120.847 119.600 0.025 0.000 2.236 267 M HA 0.260 4.742 4.480 0.004 0.000 0.266 267 M C 1.954 178.246 176.300 -0.013 0.000 1.070 267 M CA 1.241 56.532 55.300 -0.016 0.000 1.137 267 M CB -0.094 32.455 32.600 -0.085 0.000 1.378 267 M HN 0.068 nan 8.290 nan 0.000 0.426 268 R N -0.776 119.719 120.500 -0.009 0.000 2.356 268 R HA 0.329 4.671 4.340 0.004 0.000 0.234 268 R C 1.175 177.476 176.300 0.001 0.000 0.929 268 R CA 0.545 56.640 56.100 -0.009 0.000 1.084 268 R CB -0.207 30.086 30.300 -0.012 0.000 1.105 268 R HN 0.589 nan 8.270 nan 0.000 0.515 269 G N 1.483 110.290 108.800 0.011 0.000 2.257 269 G HA2 -0.377 3.585 3.960 0.004 0.000 0.267 269 G HA3 -0.377 3.585 3.960 0.004 0.000 0.267 269 G C 0.993 175.903 174.900 0.017 0.000 0.984 269 G CA 0.644 45.752 45.100 0.015 0.000 0.626 269 G HN 0.327 nan 8.290 nan 0.000 0.540 270 I N -0.184 120.396 120.570 0.016 0.000 2.094 270 I HA -0.197 3.975 4.170 0.004 0.000 0.236 270 I C 1.200 177.331 176.117 0.023 0.000 1.016 270 I CA 2.144 63.453 61.300 0.017 0.000 1.294 270 I CB -0.558 37.451 38.000 0.015 0.000 1.006 270 I HN 0.171 nan 8.210 nan 0.000 0.397 271 V N -0.030 119.902 119.914 0.030 0.000 2.760 271 V HA 0.270 4.392 4.120 0.004 0.000 0.309 271 V C -0.684 175.433 176.094 0.038 0.000 1.077 271 V CA -1.050 61.270 62.300 0.033 0.000 0.910 271 V CB 1.856 33.699 31.823 0.033 0.000 1.008 271 V HN 0.086 nan 8.190 nan 0.000 0.424 272 K N 2.921 123.341 120.400 0.033 0.000 2.219 272 K HA 0.577 4.899 4.320 0.004 0.000 0.280 272 K C -0.789 175.812 176.600 0.002 0.000 1.104 272 K CA 0.091 56.394 56.287 0.026 0.000 0.925 272 K CB 0.863 33.375 32.500 0.019 0.000 1.261 272 K HN 0.484 nan 8.250 nan 0.000 0.445 273 V N 1.568 121.471 119.914 -0.019 0.000 2.735 273 V HA 0.815 4.937 4.120 0.004 0.000 0.310 273 V C -0.596 175.278 176.094 -0.366 0.000 1.061 273 V CA -1.104 61.130 62.300 -0.109 0.000 0.913 273 V CB 1.918 33.708 31.823 -0.056 0.000 1.005 273 V HN 0.710 nan 8.190 nan 0.000 0.428 274 A N 2.966 125.486 122.820 -0.500 0.000 2.435 274 A HA 1.005 5.327 4.320 0.004 0.000 0.304 274 A C -0.509 176.695 177.584 -0.632 0.000 1.064 274 A CA -0.333 51.089 52.037 -1.026 0.000 0.727 274 A CB 1.899 20.578 19.000 -0.535 0.000 1.284 274 A HN 1.505 nan 8.150 nan 0.000 0.415 275 A N 0.894 123.319 122.820 -0.658 0.000 2.355 275 A HA 0.799 5.121 4.320 0.004 0.000 0.317 275 A C -0.340 177.290 177.584 0.077 0.000 1.094 275 A CA -0.149 51.816 52.037 -0.120 0.000 0.764 275 A CB 1.164 20.180 19.000 0.028 0.000 1.230 275 A HN 2.247 nan 8.150 nan 0.000 0.448 276 V N -0.395 119.582 119.914 0.104 0.000 2.962 276 V HA 0.615 4.737 4.120 0.004 0.000 0.313 276 V C -0.329 175.862 176.094 0.162 0.000 1.099 276 V CA -1.246 61.150 62.300 0.160 0.000 0.971 276 V CB 1.515 33.447 31.823 0.181 0.000 1.028 276 V HN 0.857 nan 8.190 nan 0.000 0.430 277 K N 2.004 122.500 120.400 0.159 0.000 2.380 277 K HA 0.554 4.876 4.320 0.004 0.000 0.267 277 K C 0.463 177.144 176.600 0.135 0.000 0.990 277 K CA 0.391 56.756 56.287 0.130 0.000 0.946 277 K CB 1.010 33.577 32.500 0.112 0.000 0.937 277 K HN 1.104 nan 8.250 nan 0.000 0.491 278 A N 4.182 127.032 122.820 0.051 0.000 2.407 278 A HA 0.249 4.571 4.320 0.004 0.000 0.248 278 A C -2.063 175.488 177.584 -0.055 0.000 1.082 278 A CA -1.214 50.788 52.037 -0.058 0.000 0.785 278 A CB -0.263 18.699 19.000 -0.064 0.000 1.020 278 A HN 0.448 nan 8.150 nan 0.000 0.489 279 P HA 0.399 nan 4.420 nan 0.000 0.272 279 P C 0.647 177.940 177.300 -0.011 0.000 1.223 279 P CA 1.396 64.447 63.100 -0.080 0.000 0.784 279 P CB 0.574 32.125 31.700 -0.249 0.000 0.923 280 G N 1.514 110.362 108.800 0.081 0.000 2.796 280 G HA2 -0.034 3.928 3.960 0.004 0.000 0.226 280 G HA3 -0.034 3.928 3.960 0.004 0.000 0.226 280 G C -0.889 174.149 174.900 0.229 0.000 1.381 280 G CA -0.089 45.094 45.100 0.138 0.000 0.867 280 G HN 0.723 nan 8.290 nan 0.000 0.552 281 F N -1.689 118.272 119.950 0.018 0.000 2.629 281 F HA 0.851 5.380 4.527 0.003 0.000 0.316 281 F C 1.010 176.822 175.800 0.019 0.000 1.081 281 F CA 0.160 58.171 58.000 0.018 0.000 0.954 281 F CB 1.125 40.141 39.000 0.026 0.000 1.337 281 F HN 2.476 nan 8.300 nan 0.000 0.474 282 G N 1.663 110.442 108.800 -0.034 0.000 2.550 282 G HA2 -0.315 3.647 3.960 0.004 0.000 0.277 282 G HA3 -0.315 3.647 3.960 0.004 0.000 0.277 282 G C 0.372 175.189 174.900 -0.138 0.000 1.190 282 G CA 0.632 45.659 45.100 -0.122 0.000 0.971 282 G HN 0.831 nan 8.290 nan 0.000 0.559 283 D N 1.125 121.429 120.400 -0.160 0.000 2.087 283 D HA -0.110 4.532 4.640 0.004 0.000 0.192 283 D C 2.508 178.736 176.300 -0.121 0.000 0.993 283 D CA 1.939 55.871 54.000 -0.113 0.000 0.828 283 D CB -0.366 40.377 40.800 -0.095 0.000 0.968 283 D HN 0.716 nan 8.370 nan 0.000 0.448 284 R N 1.204 121.604 120.500 -0.166 0.000 2.249 284 R HA -0.056 4.286 4.340 0.004 0.000 0.230 284 R C 2.097 178.327 176.300 -0.117 0.000 1.121 284 R CA 0.960 56.977 56.100 -0.138 0.000 0.997 284 R CB -0.459 29.750 30.300 -0.153 0.000 0.867 284 R HN 0.105 nan 8.270 nan 0.000 0.465 285 R N 1.657 122.087 120.500 -0.115 0.000 2.073 285 R HA -0.111 4.231 4.340 0.004 0.000 0.234 285 R C 1.427 177.683 176.300 -0.075 0.000 1.134 285 R CA 1.860 57.914 56.100 -0.078 0.000 0.952 285 R CB -0.049 30.227 30.300 -0.038 0.000 0.850 285 R HN 0.305 nan 8.270 nan 0.000 0.433 286 K N 0.160 120.522 120.400 -0.064 0.000 2.026 286 K HA -0.086 4.236 4.320 0.004 0.000 0.208 286 K C 2.176 178.740 176.600 -0.060 0.000 1.048 286 K CA 1.531 57.785 56.287 -0.054 0.000 0.929 286 K CB -0.241 32.234 32.500 -0.043 0.000 0.713 286 K HN 0.226 nan 8.250 nan 0.000 0.439 287 A N 1.259 124.041 122.820 -0.063 0.000 1.908 287 A HA -0.193 4.129 4.320 0.004 0.000 0.218 287 A C 2.145 179.687 177.584 -0.070 0.000 1.181 287 A CA 1.728 53.728 52.037 -0.061 0.000 0.627 287 A CB -0.506 18.457 19.000 -0.062 0.000 0.818 287 A HN 0.215 nan 8.150 nan 0.000 0.445 288 M N -1.133 118.415 119.600 -0.088 0.000 2.200 288 M HA 0.024 4.506 4.480 0.004 0.000 0.265 288 M C 2.178 178.398 176.300 -0.134 0.000 1.066 288 M CA 0.947 56.181 55.300 -0.110 0.000 1.127 288 M CB -0.293 32.230 32.600 -0.128 0.000 1.379 288 M HN 0.425 nan 8.290 nan 0.000 0.420 289 L N 0.126 121.275 121.223 -0.124 0.000 2.042 289 L HA -0.265 4.077 4.340 0.004 0.000 0.210 289 L C 2.603 179.424 176.870 -0.082 0.000 1.076 289 L CA 1.443 56.212 54.840 -0.119 0.000 0.749 289 L CB -0.282 41.726 42.059 -0.086 0.000 0.893 289 L HN 0.317 nan 8.230 nan 0.000 0.432 290 Q N 0.108 119.870 119.800 -0.064 0.000 2.124 290 Q HA -0.221 4.121 4.340 0.004 0.000 0.202 290 Q C 1.658 177.634 176.000 -0.040 0.000 0.977 290 Q CA 1.794 57.570 55.803 -0.044 0.000 0.850 290 Q CB -0.145 28.570 28.738 -0.038 0.000 0.901 290 Q HN 0.437 nan 8.270 nan 0.000 0.429 291 D N -0.281 120.088 120.400 -0.051 0.000 2.123 291 D HA -0.158 4.484 4.640 0.004 0.000 0.196 291 D C 1.827 178.110 176.300 -0.028 0.000 0.992 291 D CA 1.312 55.289 54.000 -0.039 0.000 0.833 291 D CB -0.156 40.617 40.800 -0.044 0.000 0.954 291 D HN 0.380 nan 8.370 nan 0.000 0.455 292 I N 1.108 121.650 120.570 -0.047 0.000 2.252 292 I HA -0.220 3.952 4.170 0.004 0.000 0.245 292 I C 2.535 178.651 176.117 -0.002 0.000 1.102 292 I CA 0.826 62.113 61.300 -0.022 0.000 1.385 292 I CB -0.271 37.693 38.000 -0.060 0.000 1.064 292 I HN -0.087 nan 8.210 nan 0.000 0.414 293 A N 0.823 123.636 122.820 -0.013 0.000 1.859 293 A HA -0.277 4.045 4.320 0.004 0.000 0.217 293 A C 2.398 179.986 177.584 0.006 0.000 1.198 293 A CA 2.865 54.902 52.037 -0.000 0.000 0.629 293 A CB -1.360 17.636 19.000 -0.008 0.000 0.830 293 A HN 0.389 nan 8.150 nan 0.000 0.446 294 T N 0.303 114.856 114.554 -0.001 0.000 2.699 294 T HA -0.169 4.183 4.350 0.004 0.000 0.268 294 T C 1.806 176.511 174.700 0.008 0.000 1.036 294 T CA 1.420 63.521 62.100 0.002 0.000 1.147 294 T CB -0.344 68.521 68.868 -0.004 0.000 0.862 294 T HN 0.297 nan 8.240 nan 0.000 0.446 295 L N 1.516 122.746 121.223 0.011 0.000 2.093 295 L HA -0.062 4.280 4.340 0.004 0.000 0.208 295 L C 2.384 179.268 176.870 0.024 0.000 1.085 295 L CA 2.280 57.131 54.840 0.019 0.000 0.755 295 L CB -1.181 40.894 42.059 0.027 0.000 0.904 295 L HN 0.482 nan 8.230 nan 0.000 0.435 296 T N -4.601 109.970 114.554 0.029 0.000 3.069 296 T HA 0.275 4.627 4.350 0.004 0.000 0.252 296 T C 1.233 175.957 174.700 0.040 0.000 1.053 296 T CA 0.394 62.516 62.100 0.037 0.000 0.964 296 T CB 0.244 69.141 68.868 0.049 0.000 1.005 296 T HN 0.478 nan 8.240 nan 0.000 0.532 297 G N 0.682 109.501 108.800 0.031 0.000 2.176 297 G HA2 -0.032 3.930 3.960 0.004 0.000 0.252 297 G HA3 -0.032 3.930 3.960 0.004 0.000 0.252 297 G C 0.414 175.337 174.900 0.037 0.000 1.024 297 G CA -0.151 44.968 45.100 0.031 0.000 0.755 297 G HN 1.008 nan 8.290 nan 0.000 0.507 298 G N -1.567 107.254 108.800 0.035 0.000 2.537 298 G HA2 0.728 4.690 3.960 0.004 0.000 0.297 298 G HA3 0.728 4.690 3.960 0.004 0.000 0.297 298 G C -0.306 174.603 174.900 0.014 0.000 1.310 298 G CA 0.306 45.425 45.100 0.032 0.000 1.027 298 G HN 0.717 nan 8.290 nan 0.000 0.505 299 T N -0.104 114.455 114.554 0.008 0.000 2.879 299 T HA 0.380 4.732 4.350 0.004 0.000 0.290 299 T C -0.207 174.490 174.700 -0.005 0.000 0.993 299 T CA -0.315 61.784 62.100 -0.001 0.000 0.975 299 T CB 1.743 70.609 68.868 -0.004 0.000 0.981 299 T HN 0.345 nan 8.240 nan 0.000 0.439 300 V N 4.607 124.516 119.914 -0.009 0.000 2.529 300 V HA 0.188 4.311 4.120 0.004 0.000 0.292 300 V C 0.420 176.508 176.094 -0.011 0.000 1.028 300 V CA -0.055 62.237 62.300 -0.012 0.000 1.074 300 V CB 0.059 31.871 31.823 -0.018 0.000 0.958 300 V HN 0.764 nan 8.190 nan 0.000 0.481 301 I N 5.672 126.236 120.570 -0.009 0.000 2.268 301 I HA 0.229 4.401 4.170 0.004 0.000 0.290 301 I C 0.502 176.615 176.117 -0.007 0.000 1.125 301 I CA 0.176 61.471 61.300 -0.008 0.000 1.236 301 I CB 0.397 38.392 38.000 -0.008 0.000 1.469 301 I HN 0.702 nan 8.210 nan 0.000 0.512 302 S N 2.750 118.446 115.700 -0.008 0.000 2.509 302 S HA 0.383 4.855 4.470 0.004 0.000 0.297 302 S C 0.591 175.188 174.600 -0.004 0.000 1.118 302 S CA -0.846 57.351 58.200 -0.006 0.000 1.074 302 S CB 2.143 65.338 63.200 -0.009 0.000 1.038 302 S HN 0.537 nan 8.310 nan 0.000 0.498 303 E N 1.077 121.276 120.200 -0.002 0.000 2.347 303 E HA -0.104 4.248 4.350 0.004 0.000 0.196 303 E C 1.243 177.842 176.600 -0.002 0.000 1.008 303 E CA 0.682 57.082 56.400 -0.001 0.000 0.852 303 E CB -0.015 29.687 29.700 0.002 0.000 0.783 303 E HN 0.795 nan 8.360 nan 0.000 0.505 304 E N 0.574 120.772 120.200 -0.003 0.000 2.153 304 E HA -0.141 4.212 4.350 0.004 0.000 0.194 304 E C 1.575 178.173 176.600 -0.004 0.000 0.988 304 E CA 0.811 57.209 56.400 -0.003 0.000 0.811 304 E CB -0.025 29.672 29.700 -0.005 0.000 0.746 304 E HN 0.329 nan 8.360 nan 0.000 0.466 305 I N 0.177 120.744 120.570 -0.005 0.000 3.812 305 I HA 0.140 4.313 4.170 0.004 0.000 0.320 305 I C 0.950 177.065 176.117 -0.005 0.000 1.276 305 I CA 0.115 61.412 61.300 -0.006 0.000 1.164 305 I CB -0.114 37.882 38.000 -0.007 0.000 1.009 305 I HN 0.124 nan 8.210 nan 0.000 0.431 306 G N 2.016 110.814 108.800 -0.004 0.000 2.225 306 G HA2 -0.274 3.688 3.960 0.004 0.000 0.264 306 G HA3 -0.274 3.688 3.960 0.004 0.000 0.264 306 G C 0.032 174.930 174.900 -0.004 0.000 1.060 306 G CA -0.092 45.006 45.100 -0.003 0.000 0.833 306 G HN 0.344 nan 8.290 nan 0.000 0.498 307 M N -0.066 119.531 119.600 -0.005 0.000 2.363 307 M HA 0.522 5.004 4.480 0.004 0.000 0.343 307 M C 0.287 176.584 176.300 -0.006 0.000 1.165 307 M CA -0.357 54.939 55.300 -0.006 0.000 1.046 307 M CB 1.533 34.129 32.600 -0.008 0.000 1.648 307 M HN 0.236 nan 8.290 nan 0.000 0.452 308 E N 1.749 121.945 120.200 -0.007 0.000 2.212 308 E HA 0.335 4.687 4.350 0.004 0.000 0.270 308 E C 0.208 176.803 176.600 -0.008 0.000 0.956 308 E CA -0.575 55.821 56.400 -0.006 0.000 0.825 308 E CB 2.096 31.792 29.700 -0.005 0.000 1.167 308 E HN 0.664 nan 8.360 nan 0.000 0.400 309 L N 1.408 122.627 121.223 -0.007 0.000 2.291 309 L HA -0.116 4.226 4.340 0.004 0.000 0.214 309 L C 1.579 178.441 176.870 -0.014 0.000 1.120 309 L CA 0.870 55.704 54.840 -0.009 0.000 0.799 309 L CB -0.160 41.897 42.059 -0.004 0.000 0.925 309 L HN 0.538 nan 8.230 nan 0.000 0.446 310 E N 0.551 120.744 120.200 -0.011 0.000 2.106 310 E HA -0.132 4.220 4.350 0.004 0.000 0.192 310 E C 0.920 177.510 176.600 -0.017 0.000 0.984 310 E CA 0.984 57.376 56.400 -0.013 0.000 0.806 310 E CB 0.029 29.724 29.700 -0.009 0.000 0.750 310 E HN 0.262 nan 8.360 nan 0.000 0.458 311 K N 0.450 120.840 120.400 -0.016 0.000 3.129 311 K HA 0.437 4.759 4.320 0.004 0.000 0.241 311 K C -0.848 175.738 176.600 -0.024 0.000 1.239 311 K CA -0.250 56.026 56.287 -0.019 0.000 1.239 311 K CB 0.893 33.385 32.500 -0.014 0.000 1.347 311 K HN -0.023 nan 8.250 nan 0.000 0.435 312 A N 0.954 123.755 122.820 -0.031 0.000 2.374 312 A HA 0.497 4.819 4.320 0.004 0.000 0.305 312 A C 0.033 177.582 177.584 -0.059 0.000 1.053 312 A CA -0.656 51.357 52.037 -0.040 0.000 0.726 312 A CB 0.947 19.924 19.000 -0.037 0.000 1.229 312 A HN 0.271 nan 8.150 nan 0.000 0.431 313 T N -0.285 114.227 114.554 -0.069 0.000 2.870 313 T HA 0.546 4.898 4.350 0.004 0.000 0.277 313 T C 1.141 175.752 174.700 -0.149 0.000 1.000 313 T CA -0.722 61.321 62.100 -0.095 0.000 0.982 313 T CB 0.411 69.235 68.868 -0.072 0.000 1.249 313 T HN 0.342 nan 8.240 nan 0.000 0.589 314 L N -0.018 121.080 121.223 -0.208 0.000 2.265 314 L HA -0.046 4.297 4.340 0.004 0.000 0.215 314 L C 2.872 179.607 176.870 -0.226 0.000 1.117 314 L CA 1.534 56.156 54.840 -0.363 0.000 0.782 314 L CB -0.548 41.266 42.059 -0.408 0.000 0.914 314 L HN 0.860 nan 8.230 nan 0.000 0.441 315 E N 0.187 120.321 120.200 -0.109 0.000 2.150 315 E HA -0.215 4.137 4.350 0.004 0.000 0.193 315 E C 1.500 178.084 176.600 -0.027 0.000 0.985 315 E CA 1.029 57.404 56.400 -0.041 0.000 0.814 315 E CB 0.202 29.885 29.700 -0.027 0.000 0.752 315 E HN 0.445 nan 8.360 nan 0.000 0.466 316 D N 0.105 120.477 120.400 -0.047 0.000 2.183 316 D HA -0.080 4.562 4.640 0.004 0.000 0.203 316 D C 0.225 176.518 176.300 -0.012 0.000 0.969 316 D CA 0.439 54.422 54.000 -0.028 0.000 0.842 316 D CB 0.058 40.837 40.800 -0.036 0.000 0.957 316 D HN 0.131 nan 8.370 nan 0.000 0.484 317 L N 0.919 122.123 121.223 -0.031 0.000 2.426 317 L HA 0.261 4.604 4.340 0.004 0.000 0.271 317 L C 1.438 178.376 176.870 0.114 0.000 1.169 317 L CA 0.069 54.924 54.840 0.025 0.000 0.836 317 L CB 0.611 42.650 42.059 -0.034 0.000 1.112 317 L HN -0.162 nan 8.230 nan 0.000 0.465 318 G N 1.544 110.417 108.800 0.123 0.000 2.588 318 G HA2 0.508 4.471 3.960 0.004 0.000 0.281 318 G HA3 0.508 4.471 3.960 0.004 0.000 0.281 318 G C -0.888 174.115 174.900 0.172 0.000 1.236 318 G CA -0.227 44.946 45.100 0.122 0.000 0.969 318 G HN 0.558 nan 8.290 nan 0.000 0.504 319 Q N -2.003 117.853 119.800 0.094 0.000 2.435 319 Q HA 0.591 4.933 4.340 0.004 0.000 0.282 319 Q C -1.271 174.725 176.000 -0.005 0.000 1.020 319 Q CA -0.755 55.062 55.803 0.023 0.000 0.820 319 Q CB 2.381 31.109 28.738 -0.016 0.000 1.436 319 Q HN 1.014 nan 8.270 nan 0.000 0.395 320 A N 1.448 124.242 122.820 -0.042 0.000 2.612 320 A HA 0.385 4.707 4.320 0.004 0.000 0.293 320 A C -0.552 177.000 177.584 -0.053 0.000 1.075 320 A CA -0.597 51.422 52.037 -0.030 0.000 0.680 320 A CB 1.488 20.486 19.000 -0.004 0.000 1.279 320 A HN 0.772 nan 8.150 nan 0.000 0.411 321 K N -0.414 119.962 120.400 -0.041 0.000 2.147 321 K HA -0.056 4.266 4.320 0.004 0.000 0.205 321 K C 0.655 177.229 176.600 -0.043 0.000 1.049 321 K CA 1.339 57.598 56.287 -0.046 0.000 0.936 321 K CB 0.099 32.580 32.500 -0.031 0.000 0.722 321 K HN 0.529 nan 8.250 nan 0.000 0.446 322 R N -0.080 120.401 120.500 -0.032 0.000 2.561 322 R HA 0.182 4.524 4.340 0.004 0.000 0.266 322 R C -1.804 174.484 176.300 -0.019 0.000 1.091 322 R CA -0.493 55.592 56.100 -0.027 0.000 0.927 322 R CB 2.029 32.316 30.300 -0.020 0.000 1.240 322 R HN -0.050 nan 8.270 nan 0.000 0.449 323 V N 0.678 120.580 119.914 -0.020 0.000 2.735 323 V HA 0.833 4.955 4.120 0.004 0.000 0.310 323 V C -1.144 174.939 176.094 -0.019 0.000 1.061 323 V CA -0.631 61.658 62.300 -0.019 0.000 0.913 323 V CB 2.115 33.931 31.823 -0.012 0.000 1.005 323 V HN 0.411 nan 8.190 nan 0.000 0.428 324 V N 6.122 126.019 119.914 -0.028 0.000 2.487 324 V HA 0.600 4.723 4.120 0.004 0.000 0.298 324 V C -0.152 175.925 176.094 -0.029 0.000 1.028 324 V CA -0.403 61.888 62.300 -0.016 0.000 0.860 324 V CB 1.577 33.393 31.823 -0.013 0.000 0.991 324 V HN 1.049 nan 8.190 nan 0.000 0.427 325 I N 1.542 122.124 120.570 0.020 0.000 2.466 325 I HA 0.665 4.838 4.170 0.004 0.000 0.289 325 I C -0.581 175.617 176.117 0.134 0.000 1.026 325 I CA -0.448 60.873 61.300 0.034 0.000 1.078 325 I CB 2.035 40.065 38.000 0.050 0.000 1.249 325 I HN 0.445 nan 8.210 nan 0.000 0.429 326 N N 5.100 123.820 118.700 0.034 0.000 2.443 326 N HA 0.192 4.934 4.740 0.004 0.000 0.294 326 N C 0.730 176.099 175.510 -0.234 0.000 1.289 326 N CA -0.538 52.534 53.050 0.037 0.000 0.966 326 N CB 0.797 39.267 38.487 -0.028 0.000 1.122 326 N HN 0.663 nan 8.380 nan 0.000 0.569 327 K N 0.065 120.294 120.400 -0.284 0.000 2.152 327 K HA -0.181 4.141 4.320 0.004 0.000 0.206 327 K C -0.431 175.865 176.600 -0.506 0.000 1.048 327 K CA 1.962 57.868 56.287 -0.635 0.000 0.933 327 K CB -0.005 32.374 32.500 -0.201 0.000 0.721 327 K HN 0.614 nan 8.250 nan 0.000 0.447 328 D N -1.794 118.442 120.400 -0.273 0.000 2.881 328 D HA 0.106 4.749 4.640 0.004 0.000 0.325 328 D C -0.844 175.379 176.300 -0.129 0.000 1.621 328 D CA -0.467 53.426 54.000 -0.179 0.000 0.785 328 D CB 0.798 41.531 40.800 -0.111 0.000 1.233 328 D HN -0.185 nan 8.370 nan 0.000 0.447 329 T N -0.315 114.145 114.554 -0.156 0.000 2.956 329 T HA 0.611 4.963 4.350 0.004 0.000 0.312 329 T C -1.194 173.353 174.700 -0.256 0.000 1.151 329 T CA -0.404 61.590 62.100 -0.177 0.000 1.024 329 T CB 2.173 70.972 68.868 -0.116 0.000 1.140 329 T HN -0.088 nan 8.240 nan 0.000 0.473 330 T N 2.205 116.466 114.554 -0.488 0.000 2.812 330 T HA 0.649 5.002 4.350 0.004 0.000 0.282 330 T C -0.564 173.795 174.700 -0.567 0.000 0.990 330 T CA -0.513 61.229 62.100 -0.596 0.000 0.960 330 T CB 1.491 69.764 68.868 -0.992 0.000 0.948 330 T HN 0.637 nan 8.240 nan 0.000 0.438 331 T N 3.623 118.012 114.554 -0.274 0.000 2.841 331 T HA 0.686 5.038 4.350 0.004 0.000 0.285 331 T C -0.791 173.865 174.700 -0.073 0.000 0.991 331 T CA -0.711 61.296 62.100 -0.155 0.000 0.966 331 T CB 0.266 69.077 68.868 -0.094 0.000 0.962 331 T HN 0.483 nan 8.240 nan 0.000 0.438 332 I N 5.941 126.501 120.570 -0.015 0.000 2.330 332 I HA 0.433 4.605 4.170 0.004 0.000 0.289 332 I C -0.471 175.657 176.117 0.018 0.000 1.001 332 I CA -0.871 60.443 61.300 0.023 0.000 1.193 332 I CB 1.413 39.465 38.000 0.086 0.000 1.345 332 I HN 0.589 nan 8.210 nan 0.000 0.461 333 I N 5.989 126.562 120.570 0.004 0.000 2.330 333 I HA 0.256 4.428 4.170 0.004 0.000 0.289 333 I C -0.441 175.675 176.117 -0.001 0.000 1.001 333 I CA -0.273 61.028 61.300 0.000 0.000 1.193 333 I CB 1.016 39.012 38.000 -0.007 0.000 1.345 333 I HN 0.555 nan 8.210 nan 0.000 0.461 334 D N 4.930 125.332 120.400 0.003 0.000 3.241 334 D HA -0.110 4.532 4.640 0.004 0.000 0.248 334 D C 0.180 176.480 176.300 -0.000 0.000 1.093 334 D CA 0.891 54.891 54.000 -0.000 0.000 0.940 334 D CB -0.284 40.512 40.800 -0.007 0.000 0.980 334 D HN 0.797 nan 8.370 nan 0.000 0.421 335 G N 0.451 109.256 108.800 0.009 0.000 2.467 335 G HA2 0.377 4.339 3.960 0.004 0.000 0.257 335 G HA3 0.377 4.339 3.960 0.004 0.000 0.257 335 G C 1.440 176.346 174.900 0.009 0.000 1.227 335 G CA -0.302 44.806 45.100 0.013 0.000 0.835 335 G HN 0.325 nan 8.290 nan 0.000 0.556 336 V N 2.436 122.356 119.914 0.010 0.000 2.626 336 V HA -0.009 4.113 4.120 0.004 0.000 0.252 336 V C 2.279 178.382 176.094 0.015 0.000 1.067 336 V CA 1.203 63.509 62.300 0.011 0.000 1.081 336 V CB -1.151 30.682 31.823 0.016 0.000 0.686 336 V HN 0.880 nan 8.190 nan 0.000 0.468 337 G N 0.968 109.778 108.800 0.018 0.000 2.238 337 G HA2 -0.054 3.908 3.960 0.004 0.000 0.234 337 G HA3 -0.054 3.908 3.960 0.004 0.000 0.234 337 G C -0.091 174.816 174.900 0.011 0.000 1.181 337 G CA -0.095 45.014 45.100 0.016 0.000 0.871 337 G HN 0.543 nan 8.290 nan 0.000 0.490 338 E N 1.625 121.831 120.200 0.010 0.000 2.313 338 E HA 0.065 4.417 4.350 0.004 0.000 0.276 338 E C 0.952 177.555 176.600 0.005 0.000 1.031 338 E CA -0.290 56.114 56.400 0.007 0.000 0.857 338 E CB 1.457 31.161 29.700 0.007 0.000 1.040 338 E HN 0.680 nan 8.360 nan 0.000 0.408 339 E N 1.885 122.087 120.200 0.004 0.000 2.171 339 E HA -0.293 4.059 4.350 0.004 0.000 0.197 339 E C 1.806 178.407 176.600 0.002 0.000 0.997 339 E CA 1.160 57.562 56.400 0.003 0.000 0.810 339 E CB -0.067 29.635 29.700 0.002 0.000 0.738 339 E HN 0.606 nan 8.360 nan 0.000 0.467 340 A N 1.715 124.537 122.820 0.002 0.000 1.851 340 A HA -0.198 4.124 4.320 0.004 0.000 0.216 340 A C 2.445 180.029 177.584 0.001 0.000 1.195 340 A CA 2.067 54.105 52.037 0.001 0.000 0.622 340 A CB -0.829 18.172 19.000 0.001 0.000 0.831 340 A HN 0.321 nan 8.150 nan 0.000 0.444 341 A N -0.495 122.326 122.820 0.002 0.000 1.902 341 A HA -0.044 4.278 4.320 0.004 0.000 0.217 341 A C 2.176 179.760 177.584 -0.000 0.000 1.181 341 A CA 1.544 53.581 52.037 0.001 0.000 0.623 341 A CB -0.612 18.390 19.000 0.003 0.000 0.818 341 A HN 0.505 nan 8.150 nan 0.000 0.443 342 I N -0.984 119.587 120.570 0.001 0.000 2.142 342 I HA -0.253 3.919 4.170 0.004 0.000 0.240 342 I C 2.750 178.866 176.117 -0.001 0.000 1.078 342 I CA 1.731 63.032 61.300 0.001 0.000 1.343 342 I CB -0.271 37.731 38.000 0.004 0.000 1.046 342 I HN 0.333 nan 8.210 nan 0.000 0.405 343 Q N 1.259 121.058 119.800 -0.001 0.000 2.170 343 Q HA -0.122 4.220 4.340 0.004 0.000 0.203 343 Q C 2.004 178.002 176.000 -0.003 0.000 0.976 343 Q CA 1.948 57.750 55.803 -0.002 0.000 0.858 343 Q CB -0.710 28.028 28.738 -0.001 0.000 0.907 343 Q HN 0.494 nan 8.270 nan 0.000 0.433 344 G N -0.266 108.532 108.800 -0.003 0.000 2.403 344 G HA2 -0.266 3.696 3.960 0.004 0.000 0.216 344 G HA3 -0.266 3.696 3.960 0.004 0.000 0.216 344 G C 1.586 176.483 174.900 -0.006 0.000 1.154 344 G CA 0.675 45.772 45.100 -0.004 0.000 0.784 344 G HN 0.368 nan 8.290 nan 0.000 0.538 345 R N 0.191 120.687 120.500 -0.007 0.000 2.081 345 R HA -0.001 4.341 4.340 0.004 0.000 0.235 345 R C 2.551 178.845 176.300 -0.011 0.000 1.131 345 R CA 1.387 57.481 56.100 -0.010 0.000 0.960 345 R CB -0.770 29.524 30.300 -0.010 0.000 0.856 345 R HN 0.180 nan 8.270 nan 0.000 0.436 346 V N 0.898 120.807 119.914 -0.009 0.000 2.287 346 V HA -0.270 3.852 4.120 0.004 0.000 0.248 346 V C 2.370 178.458 176.094 -0.010 0.000 1.053 346 V CA 2.064 64.359 62.300 -0.009 0.000 1.027 346 V CB -0.978 30.842 31.823 -0.006 0.000 0.646 346 V HN 0.588 nan 8.190 nan 0.000 0.447 347 A N -1.088 121.727 122.820 -0.009 0.000 1.940 347 A HA -0.310 4.012 4.320 0.004 0.000 0.219 347 A C 2.165 179.743 177.584 -0.010 0.000 1.176 347 A CA 2.117 54.149 52.037 -0.008 0.000 0.631 347 A CB -0.475 18.521 19.000 -0.007 0.000 0.814 347 A HN 0.657 nan 8.150 nan 0.000 0.446 348 Q N -0.491 119.302 119.800 -0.011 0.000 1.993 348 Q HA -0.133 4.209 4.340 0.004 0.000 0.202 348 Q C 2.106 178.096 176.000 -0.016 0.000 0.984 348 Q CA 1.739 57.534 55.803 -0.013 0.000 0.837 348 Q CB -0.363 28.367 28.738 -0.014 0.000 0.902 348 Q HN 0.750 nan 8.270 nan 0.000 0.423 349 I N 0.268 120.826 120.570 -0.019 0.000 2.264 349 I HA -0.297 3.875 4.170 0.004 0.000 0.248 349 I C 2.545 178.649 176.117 -0.021 0.000 1.111 349 I CA 1.120 62.406 61.300 -0.023 0.000 1.382 349 I CB -0.314 37.671 38.000 -0.025 0.000 1.060 349 I HN 0.154 nan 8.210 nan 0.000 0.418 350 R N 0.626 121.116 120.500 -0.017 0.000 2.152 350 R HA -0.184 4.159 4.340 0.004 0.000 0.232 350 R C 2.323 178.615 176.300 -0.014 0.000 1.117 350 R CA 1.326 57.417 56.100 -0.015 0.000 0.981 350 R CB -0.043 30.250 30.300 -0.012 0.000 0.870 350 R HN 0.436 nan 8.270 nan 0.000 0.451 351 Q N -0.533 119.259 119.800 -0.013 0.000 2.137 351 Q HA -0.124 4.218 4.340 0.004 0.000 0.198 351 Q C 1.996 177.988 176.000 -0.014 0.000 0.960 351 Q CA 1.003 56.799 55.803 -0.012 0.000 0.847 351 Q CB 0.238 28.970 28.738 -0.011 0.000 0.915 351 Q HN 0.485 nan 8.270 nan 0.000 0.448 352 Q N 0.382 120.172 119.800 -0.017 0.000 2.135 352 Q HA -0.178 4.165 4.340 0.004 0.000 0.204 352 Q C 2.090 178.078 176.000 -0.020 0.000 0.981 352 Q CA 1.097 56.889 55.803 -0.020 0.000 0.856 352 Q CB -0.300 28.422 28.738 -0.026 0.000 0.902 352 Q HN 0.473 nan 8.270 nan 0.000 0.425 353 I N 1.364 121.921 120.570 -0.022 0.000 2.335 353 I HA -0.247 3.925 4.170 0.004 0.000 0.251 353 I C 2.119 178.227 176.117 -0.015 0.000 1.129 353 I CA 1.034 62.321 61.300 -0.021 0.000 1.402 353 I CB -0.312 37.675 38.000 -0.022 0.000 1.069 353 I HN 0.162 nan 8.210 nan 0.000 0.424 354 E N 1.045 121.238 120.200 -0.012 0.000 2.107 354 E HA -0.174 4.178 4.350 0.004 0.000 0.191 354 E C 1.720 178.316 176.600 -0.007 0.000 0.982 354 E CA 1.073 57.468 56.400 -0.008 0.000 0.809 354 E CB -0.246 29.450 29.700 -0.007 0.000 0.756 354 E HN 0.635 nan 8.360 nan 0.000 0.459 355 E N 0.978 121.173 120.200 -0.008 0.000 2.442 355 E HA 0.196 4.548 4.350 0.004 0.000 0.195 355 E C 0.443 177.040 176.600 -0.005 0.000 1.030 355 E CA 0.042 56.438 56.400 -0.006 0.000 0.869 355 E CB 0.298 29.994 29.700 -0.007 0.000 0.857 355 E HN 0.060 nan 8.360 nan 0.000 0.505 356 A N 1.833 124.649 122.820 -0.007 0.000 2.548 356 A HA 0.037 4.359 4.320 0.004 0.000 0.247 356 A C 1.182 178.768 177.584 0.003 0.000 1.067 356 A CA 0.397 52.431 52.037 -0.005 0.000 0.757 356 A CB -0.124 18.868 19.000 -0.012 0.000 0.996 356 A HN 0.239 nan 8.150 nan 0.000 0.504 357 T N -0.591 113.969 114.554 0.009 0.000 3.105 357 T HA 0.389 4.742 4.350 0.004 0.000 0.253 357 T C 0.403 175.116 174.700 0.022 0.000 1.047 357 T CA 0.392 62.500 62.100 0.013 0.000 0.944 357 T CB -0.277 68.598 68.868 0.012 0.000 1.016 357 T HN 1.104 nan 8.240 nan 0.000 0.544 358 S N -0.176 115.542 115.700 0.030 0.000 2.572 358 S HA 0.341 4.813 4.470 0.004 0.000 0.274 358 S C -0.059 174.574 174.600 0.056 0.000 1.150 358 S CA -0.639 57.593 58.200 0.052 0.000 0.944 358 S CB 1.618 64.865 63.200 0.077 0.000 1.071 358 S HN 0.025 nan 8.310 nan 0.000 0.479 359 D N 2.398 122.837 120.400 0.064 0.000 2.116 359 D HA -0.138 4.505 4.640 0.004 0.000 0.193 359 D C 1.350 177.690 176.300 0.068 0.000 0.998 359 D CA 1.741 55.775 54.000 0.056 0.000 0.836 359 D CB -0.330 40.507 40.800 0.063 0.000 0.951 359 D HN 0.740 nan 8.370 nan 0.000 0.449 360 Y N 2.326 122.627 120.300 0.003 0.000 2.081 360 Y HA -0.239 4.313 4.550 0.004 0.000 0.280 360 Y C 1.909 177.807 175.900 -0.004 0.000 1.163 360 Y CA 1.886 59.988 58.100 0.004 0.000 1.135 360 Y CB -0.286 38.179 38.460 0.007 0.000 0.970 360 Y HN -0.058 nan 8.280 nan 0.000 0.498 361 D N -0.422 119.957 120.400 -0.036 0.000 2.144 361 D HA -0.211 4.431 4.640 0.004 0.000 0.199 361 D C 2.260 178.483 176.300 -0.129 0.000 0.984 361 D CA 1.416 55.351 54.000 -0.107 0.000 0.834 361 D CB -0.292 40.505 40.800 -0.005 0.000 0.955 361 D HN 0.375 nan 8.370 nan 0.000 0.465 362 R N 0.957 121.410 120.500 -0.077 0.000 2.082 362 R HA -0.151 4.192 4.340 0.004 0.000 0.234 362 R C 2.237 178.483 176.300 -0.091 0.000 1.136 362 R CA 1.412 57.474 56.100 -0.063 0.000 0.935 362 R CB 0.101 30.384 30.300 -0.029 0.000 0.842 362 R HN 0.105 nan 8.270 nan 0.000 0.430 363 E N 0.710 120.843 120.200 -0.112 0.000 2.058 363 E HA -0.217 4.135 4.350 0.004 0.000 0.194 363 E C 1.878 178.384 176.600 -0.156 0.000 0.997 363 E CA 1.030 57.362 56.400 -0.114 0.000 0.801 363 E CB -0.185 29.453 29.700 -0.102 0.000 0.746 363 E HN 0.249 nan 8.360 nan 0.000 0.450 364 K N 0.821 121.062 120.400 -0.266 0.000 2.097 364 K HA -0.047 4.276 4.320 0.004 0.000 0.206 364 K C 2.414 178.923 176.600 -0.151 0.000 1.049 364 K CA 0.640 56.773 56.287 -0.257 0.000 0.933 364 K CB -0.452 31.812 32.500 -0.393 0.000 0.717 364 K HN 0.202 nan 8.250 nan 0.000 0.442 365 L N 0.738 121.885 121.223 -0.128 0.000 2.044 365 L HA -0.158 4.184 4.340 0.004 0.000 0.205 365 L C 2.561 179.394 176.870 -0.062 0.000 1.075 365 L CA 1.095 55.885 54.840 -0.083 0.000 0.747 365 L CB -0.431 41.587 42.059 -0.069 0.000 0.903 365 L HN 0.174 nan 8.230 nan 0.000 0.435 366 Q N 0.006 119.770 119.800 -0.059 0.000 2.135 366 Q HA -0.263 4.080 4.340 0.004 0.000 0.204 366 Q C 2.103 178.081 176.000 -0.035 0.000 0.981 366 Q CA 1.693 57.471 55.803 -0.041 0.000 0.856 366 Q CB -0.134 28.582 28.738 -0.036 0.000 0.902 366 Q HN 0.523 nan 8.270 nan 0.000 0.425 367 E N 0.187 120.360 120.200 -0.045 0.000 2.110 367 E HA -0.170 4.182 4.350 0.004 0.000 0.193 367 E C 2.069 178.655 176.600 -0.023 0.000 0.988 367 E CA 0.726 57.108 56.400 -0.031 0.000 0.804 367 E CB 0.043 29.721 29.700 -0.037 0.000 0.745 367 E HN 0.264 nan 8.360 nan 0.000 0.458 368 R N 0.401 120.881 120.500 -0.034 0.000 2.075 368 R HA -0.111 4.231 4.340 0.004 0.000 0.232 368 R C 2.741 179.030 176.300 -0.018 0.000 1.126 368 R CA 1.490 57.573 56.100 -0.028 0.000 0.963 368 R CB -0.650 29.625 30.300 -0.042 0.000 0.858 368 R HN 0.209 nan 8.270 nan 0.000 0.435 369 V N -0.950 118.951 119.914 -0.021 0.000 2.261 369 V HA -0.160 3.962 4.120 0.004 0.000 0.246 369 V C 2.383 178.473 176.094 -0.007 0.000 1.047 369 V CA 1.875 64.167 62.300 -0.014 0.000 1.015 369 V CB -1.195 30.619 31.823 -0.016 0.000 0.642 369 V HN 0.246 nan 8.190 nan 0.000 0.446 370 A N 0.493 123.309 122.820 -0.007 0.000 1.917 370 A HA -0.254 4.068 4.320 0.004 0.000 0.219 370 A C 2.348 179.935 177.584 0.005 0.000 1.182 370 A CA 2.512 54.547 52.037 -0.002 0.000 0.633 370 A CB -0.696 18.302 19.000 -0.003 0.000 0.819 370 A HN 0.661 nan 8.150 nan 0.000 0.448 371 K N -1.339 119.067 120.400 0.010 0.000 2.025 371 K HA -0.065 4.257 4.320 0.004 0.000 0.207 371 K C 1.896 178.509 176.600 0.022 0.000 1.049 371 K CA 1.288 57.589 56.287 0.023 0.000 0.933 371 K CB -0.261 32.260 32.500 0.036 0.000 0.714 371 K HN 0.347 nan 8.250 nan 0.000 0.438 372 L N 0.452 121.682 121.223 0.012 0.000 2.095 372 L HA 0.004 4.346 4.340 0.004 0.000 0.204 372 L C 2.061 178.936 176.870 0.007 0.000 1.080 372 L CA 1.570 56.416 54.840 0.010 0.000 0.759 372 L CB -0.601 41.459 42.059 0.001 0.000 0.914 372 L HN 0.090 nan 8.230 nan 0.000 0.439 373 A N -1.311 121.511 122.820 0.004 0.000 2.067 373 A HA 0.125 4.447 4.320 0.004 0.000 0.217 373 A C 2.215 179.801 177.584 0.004 0.000 1.156 373 A CA 0.985 53.024 52.037 0.002 0.000 0.683 373 A CB -0.993 18.006 19.000 -0.001 0.000 0.808 373 A HN 0.454 nan 8.150 nan 0.000 0.455 374 G N -0.886 107.918 108.800 0.006 0.000 2.430 374 G HA2 0.358 4.320 3.960 0.004 0.000 0.216 374 G HA3 0.358 4.320 3.960 0.004 0.000 0.216 374 G C 1.194 176.099 174.900 0.007 0.000 1.146 374 G CA 0.699 45.803 45.100 0.006 0.000 0.793 374 G HN 1.537 nan 8.290 nan 0.000 0.537 375 G N -1.313 107.493 108.800 0.011 0.000 2.569 375 G HA2 -0.075 3.887 3.960 0.004 0.000 0.259 375 G HA3 -0.075 3.887 3.960 0.004 0.000 0.259 375 G C -0.513 174.393 174.900 0.010 0.000 1.263 375 G CA 0.012 45.118 45.100 0.011 0.000 0.928 375 G HN 1.102 nan 8.290 nan 0.000 0.572 376 V N 0.303 120.221 119.914 0.007 0.000 2.612 376 V HA 0.688 4.810 4.120 0.004 0.000 0.301 376 V C 0.611 176.706 176.094 0.002 0.000 1.059 376 V CA -0.064 62.239 62.300 0.004 0.000 0.886 376 V CB 1.299 33.124 31.823 0.004 0.000 1.007 376 V HN 2.092 nan 8.190 nan 0.000 0.426 377 A N 4.600 127.420 122.820 0.000 0.000 2.366 377 A HA 0.726 5.048 4.320 0.004 0.000 0.272 377 A C -0.409 177.174 177.584 -0.001 0.000 1.135 377 A CA -0.242 51.795 52.037 -0.000 0.000 0.804 377 A CB 0.707 19.706 19.000 -0.001 0.000 1.064 377 A HN 0.783 nan 8.150 nan 0.000 0.499 378 V N 4.715 124.628 119.914 -0.001 0.000 2.378 378 V HA 0.287 4.409 4.120 0.004 0.000 0.288 378 V C -0.155 175.939 176.094 -0.001 0.000 1.016 378 V CA -0.141 62.159 62.300 -0.001 0.000 0.840 378 V CB 1.190 33.011 31.823 -0.002 0.000 0.994 378 V HN 0.747 nan 8.190 nan 0.000 0.431 379 I N 5.449 126.019 120.570 0.000 0.000 2.304 379 I HA 0.350 4.522 4.170 0.004 0.000 0.291 379 I C 0.284 176.402 176.117 0.000 0.000 1.018 379 I CA -0.268 61.032 61.300 0.001 0.000 1.260 379 I CB 0.879 38.881 38.000 0.003 0.000 1.390 379 I HN 0.478 nan 8.210 nan 0.000 0.475 380 K N 5.945 126.345 120.400 -0.000 0.000 2.240 380 K HA 0.470 4.792 4.320 0.004 0.000 0.271 380 K C -0.918 175.681 176.600 -0.001 0.000 1.018 380 K CA -0.643 55.643 56.287 -0.001 0.000 0.874 380 K CB 2.135 34.634 32.500 -0.002 0.000 1.098 380 K HN 0.299 nan 8.250 nan 0.000 0.458 381 V N 2.939 122.853 119.914 -0.000 0.000 2.364 381 V HA 0.240 4.362 4.120 0.004 0.000 0.272 381 V C 0.706 176.800 176.094 -0.001 0.000 1.036 381 V CA -0.668 61.632 62.300 0.000 0.000 0.880 381 V CB 1.118 32.942 31.823 0.001 0.000 0.991 381 V HN 0.903 nan 8.190 nan 0.000 0.460 382 G N 3.429 112.229 108.800 -0.001 0.000 2.448 382 G HA2 0.760 4.723 3.960 0.004 0.000 0.285 382 G HA3 0.760 4.723 3.960 0.004 0.000 0.285 382 G C -0.359 174.540 174.900 -0.001 0.000 1.176 382 G CA 0.283 45.382 45.100 -0.001 0.000 0.852 382 G HN 1.209 nan 8.290 nan 0.000 0.530 383 A N -0.345 122.474 122.820 -0.002 0.000 2.564 383 A HA 0.772 5.094 4.320 0.004 0.000 0.291 383 A C 0.706 178.288 177.584 -0.002 0.000 1.102 383 A CA 0.360 52.396 52.037 -0.002 0.000 0.660 383 A CB 0.484 19.483 19.000 -0.002 0.000 1.283 383 A HN 1.755 nan 8.150 nan 0.000 0.430 384 A N -0.465 122.353 122.820 -0.002 0.000 1.935 384 A HA 0.448 4.770 4.320 0.004 0.000 0.214 384 A C 1.223 178.806 177.584 -0.002 0.000 1.178 384 A CA 2.232 54.268 52.037 -0.002 0.000 0.640 384 A CB -0.501 18.498 19.000 -0.002 0.000 0.825 384 A HN 2.037 nan 8.150 nan 0.000 0.447 385 T N -4.412 110.141 114.554 -0.002 0.000 2.916 385 T HA 0.473 4.825 4.350 0.004 0.000 0.292 385 T C 0.483 175.182 174.700 -0.002 0.000 1.064 385 T CA 0.058 62.157 62.100 -0.002 0.000 1.011 385 T CB 1.883 70.749 68.868 -0.002 0.000 1.152 385 T HN 0.240 nan 8.240 nan 0.000 0.510 386 E N 0.110 120.308 120.200 -0.003 0.000 2.097 386 E HA -0.184 4.168 4.350 0.004 0.000 0.196 386 E C 1.822 178.420 176.600 -0.003 0.000 1.000 386 E CA 1.826 58.224 56.400 -0.003 0.000 0.804 386 E CB -0.278 29.420 29.700 -0.003 0.000 0.740 386 E HN 0.553 nan 8.360 nan 0.000 0.454 387 V N 0.784 120.697 119.914 -0.003 0.000 2.307 387 V HA -0.233 3.890 4.120 0.004 0.000 0.245 387 V C 2.133 178.226 176.094 -0.003 0.000 1.045 387 V CA 2.199 64.498 62.300 -0.003 0.000 1.024 387 V CB -0.606 31.216 31.823 -0.003 0.000 0.651 387 V HN 0.259 nan 8.190 nan 0.000 0.449 388 E N -0.612 119.586 120.200 -0.003 0.000 2.204 388 E HA -0.187 4.165 4.350 0.004 0.000 0.194 388 E C 2.141 178.740 176.600 -0.002 0.000 0.989 388 E CA 1.101 57.500 56.400 -0.002 0.000 0.824 388 E CB -0.121 29.577 29.700 -0.002 0.000 0.756 388 E HN 0.458 nan 8.360 nan 0.000 0.477 389 M N 0.647 120.246 119.600 -0.002 0.000 2.160 389 M HA -0.118 4.364 4.480 0.004 0.000 0.264 389 M C 1.561 177.859 176.300 -0.002 0.000 1.073 389 M CA 1.269 56.568 55.300 -0.002 0.000 1.142 389 M CB 0.028 32.627 32.600 -0.002 0.000 1.358 389 M HN -0.115 nan 8.290 nan 0.000 0.422 390 K N 0.455 120.853 120.400 -0.002 0.000 2.152 390 K HA -0.193 4.129 4.320 0.004 0.000 0.206 390 K C 1.809 178.407 176.600 -0.003 0.000 1.048 390 K CA 1.341 57.626 56.287 -0.002 0.000 0.933 390 K CB -0.681 31.817 32.500 -0.003 0.000 0.721 390 K HN 0.565 nan 8.250 nan 0.000 0.447 391 E N 1.313 121.512 120.200 -0.003 0.000 2.028 391 E HA -0.168 4.185 4.350 0.004 0.000 0.191 391 E C 2.101 178.699 176.600 -0.002 0.000 0.988 391 E CA 1.048 57.446 56.400 -0.003 0.000 0.799 391 E CB 0.110 29.808 29.700 -0.003 0.000 0.755 391 E HN 0.184 nan 8.360 nan 0.000 0.447 392 K N 0.961 121.361 120.400 -0.001 0.000 2.097 392 K HA -0.179 4.143 4.320 0.004 0.000 0.205 392 K C 2.277 178.878 176.600 0.001 0.000 1.050 392 K CA 1.191 57.478 56.287 -0.000 0.000 0.938 392 K CB -0.039 32.461 32.500 -0.000 0.000 0.718 392 K HN -0.059 nan 8.250 nan 0.000 0.442 393 K N 0.306 120.706 120.400 0.001 0.000 2.032 393 K HA -0.161 4.161 4.320 0.004 0.000 0.209 393 K C 1.939 178.541 176.600 0.003 0.000 1.048 393 K CA 1.417 57.705 56.287 0.002 0.000 0.927 393 K CB -0.195 32.306 32.500 0.001 0.000 0.712 393 K HN 0.195 nan 8.250 nan 0.000 0.441 394 A N 1.313 124.133 122.820 0.000 0.000 1.933 394 A HA -0.144 4.178 4.320 0.004 0.000 0.218 394 A C 2.129 179.713 177.584 0.001 0.000 1.175 394 A CA 1.310 53.346 52.037 -0.001 0.000 0.628 394 A CB -0.424 18.573 19.000 -0.005 0.000 0.814 394 A HN 0.324 nan 8.150 nan 0.000 0.444 395 R N -0.758 119.742 120.500 0.001 0.000 2.075 395 R HA -0.058 4.285 4.340 0.004 0.000 0.232 395 R C 2.059 178.365 176.300 0.010 0.000 1.126 395 R CA 1.413 57.515 56.100 0.004 0.000 0.963 395 R CB -0.396 29.905 30.300 0.002 0.000 0.858 395 R HN 0.399 nan 8.270 nan 0.000 0.435 396 V N 1.106 121.026 119.914 0.010 0.000 2.343 396 V HA -0.245 3.877 4.120 0.004 0.000 0.247 396 V C 1.945 178.053 176.094 0.023 0.000 1.051 396 V CA 1.817 64.126 62.300 0.014 0.000 1.036 396 V CB -0.438 31.391 31.823 0.010 0.000 0.654 396 V HN 0.362 nan 8.190 nan 0.000 0.451 397 E N -0.041 120.172 120.200 0.022 0.000 2.058 397 E HA -0.252 4.100 4.350 0.004 0.000 0.194 397 E C 2.049 178.683 176.600 0.057 0.000 0.997 397 E CA 1.650 58.071 56.400 0.035 0.000 0.801 397 E CB -0.189 29.524 29.700 0.022 0.000 0.746 397 E HN 0.599 nan 8.360 nan 0.000 0.450 398 D N -0.081 120.339 120.400 0.034 0.000 2.144 398 D HA -0.116 4.526 4.640 0.004 0.000 0.200 398 D C 1.841 178.182 176.300 0.069 0.000 0.978 398 D CA 1.185 55.206 54.000 0.036 0.000 0.833 398 D CB -0.134 40.668 40.800 0.002 0.000 0.961 398 D HN 0.167 nan 8.370 nan 0.000 0.470 399 A N 0.837 123.686 122.820 0.047 0.000 1.898 399 A HA -0.110 4.212 4.320 0.004 0.000 0.216 399 A C 2.158 179.772 177.584 0.050 0.000 1.181 399 A CA 0.774 52.836 52.037 0.042 0.000 0.620 399 A CB -0.636 18.378 19.000 0.024 0.000 0.819 399 A HN 0.214 nan 8.150 nan 0.000 0.442 400 L N -0.561 120.693 121.223 0.052 0.000 1.989 400 L HA -0.224 4.118 4.340 0.004 0.000 0.211 400 L C 2.397 179.297 176.870 0.049 0.000 1.071 400 L CA 2.752 57.617 54.840 0.042 0.000 0.749 400 L CB -0.936 41.145 42.059 0.037 0.000 0.890 400 L HN 0.613 nan 8.230 nan 0.000 0.431 401 H N -0.236 118.834 119.070 0.000 0.000 2.289 401 H HA -0.232 4.326 4.556 0.003 0.000 0.294 401 H C 1.928 177.258 175.328 0.003 0.000 1.095 401 H CA 2.176 58.224 56.048 0.001 0.000 1.256 401 H CB -0.019 29.743 29.762 0.001 0.000 1.359 401 H HN 0.519 nan 8.280 nan 0.000 0.487 402 A N -0.304 122.614 122.820 0.163 0.000 1.898 402 A HA -0.132 4.190 4.320 0.004 0.000 0.216 402 A C 2.699 180.297 177.584 0.024 0.000 1.181 402 A CA 1.993 54.091 52.037 0.101 0.000 0.620 402 A CB -0.900 18.153 19.000 0.089 0.000 0.819 402 A HN 0.530 nan 8.150 nan 0.000 0.442 403 T N -0.648 113.914 114.554 0.013 0.000 2.821 403 T HA -0.116 4.236 4.350 0.004 0.000 0.267 403 T C 2.164 176.849 174.700 -0.025 0.000 1.046 403 T CA 1.317 63.416 62.100 -0.002 0.000 1.139 403 T CB -0.227 68.642 68.868 0.002 0.000 0.871 403 T HN 0.306 nan 8.240 nan 0.000 0.454 404 R N 1.592 122.059 120.500 -0.055 0.000 2.081 404 R HA 0.115 4.458 4.340 0.004 0.000 0.235 404 R C 2.537 178.788 176.300 -0.081 0.000 1.131 404 R CA 1.712 57.764 56.100 -0.079 0.000 0.960 404 R CB -1.147 29.073 30.300 -0.133 0.000 0.856 404 R HN 0.409 nan 8.270 nan 0.000 0.436 405 A N 0.545 123.305 122.820 -0.100 0.000 1.883 405 A HA -0.130 4.192 4.320 0.004 0.000 0.217 405 A C 2.389 179.958 177.584 -0.024 0.000 1.186 405 A CA 2.232 54.232 52.037 -0.061 0.000 0.624 405 A CB -0.942 18.037 19.000 -0.035 0.000 0.822 405 A HN 0.423 nan 8.150 nan 0.000 0.444 406 A N -0.782 122.030 122.820 -0.013 0.000 1.940 406 A HA -0.025 4.298 4.320 0.004 0.000 0.219 406 A C 2.228 179.808 177.584 -0.006 0.000 1.176 406 A CA 1.836 53.871 52.037 -0.003 0.000 0.631 406 A CB -0.909 18.093 19.000 0.003 0.000 0.814 406 A HN 0.418 nan 8.150 nan 0.000 0.446 407 V N 0.017 119.924 119.914 -0.013 0.000 2.427 407 V HA -0.261 3.861 4.120 0.004 0.000 0.248 407 V C 2.393 178.481 176.094 -0.011 0.000 1.051 407 V CA 2.296 64.589 62.300 -0.011 0.000 1.048 407 V CB -0.748 31.066 31.823 -0.016 0.000 0.666 407 V HN 0.668 nan 8.190 nan 0.000 0.456 408 E N -0.260 119.931 120.200 -0.015 0.000 2.072 408 E HA -0.176 4.176 4.350 0.004 0.000 0.191 408 E C 1.624 178.222 176.600 -0.004 0.000 0.985 408 E CA 1.419 57.813 56.400 -0.010 0.000 0.801 408 E CB 0.015 29.706 29.700 -0.015 0.000 0.750 408 E HN 0.652 nan 8.360 nan 0.000 0.452 409 E N -1.063 119.136 120.200 -0.001 0.000 2.702 409 E HA 0.206 4.559 4.350 0.004 0.000 0.225 409 E C 0.261 176.864 176.600 0.005 0.000 0.942 409 E CA 0.129 56.530 56.400 0.003 0.000 1.210 409 E CB 1.666 31.369 29.700 0.005 0.000 1.143 409 E HN 0.228 nan 8.360 nan 0.000 0.544 410 G N 1.390 110.192 108.800 0.004 0.000 2.632 410 G HA2 -0.223 3.740 3.960 0.004 0.000 0.224 410 G HA3 -0.223 3.740 3.960 0.004 0.000 0.224 410 G C -0.357 174.549 174.900 0.010 0.000 1.341 410 G CA -0.400 44.704 45.100 0.007 0.000 0.880 410 G HN 0.546 nan 8.290 nan 0.000 0.566 411 V N -2.740 117.181 119.914 0.012 0.000 2.925 411 V HA 0.960 5.082 4.120 0.004 0.000 0.311 411 V C 0.458 176.562 176.094 0.016 0.000 1.104 411 V CA 0.117 62.425 62.300 0.014 0.000 0.954 411 V CB 1.226 33.057 31.823 0.014 0.000 1.022 411 V HN 2.430 nan 8.190 nan 0.000 0.427 412 V N 0.144 120.069 119.914 0.018 0.000 3.158 412 V HA 1.042 5.164 4.120 0.004 0.000 0.311 412 V C 0.606 176.712 176.094 0.021 0.000 1.181 412 V CA -0.611 61.702 62.300 0.020 0.000 1.054 412 V CB 1.296 33.131 31.823 0.021 0.000 1.085 412 V HN 2.058 nan 8.190 nan 0.000 0.446 413 A N 0.467 123.301 122.820 0.024 0.000 2.483 413 A HA 0.673 4.996 4.320 0.004 0.000 0.238 413 A C 0.760 178.356 177.584 0.020 0.000 1.070 413 A CA 0.632 52.683 52.037 0.023 0.000 0.770 413 A CB -0.362 18.657 19.000 0.031 0.000 1.008 413 A HN 1.944 nan 8.150 nan 0.000 0.497 414 G N -0.651 108.158 108.800 0.014 0.000 2.702 414 G HA2 0.558 4.520 3.960 0.004 0.000 0.254 414 G HA3 0.558 4.520 3.960 0.004 0.000 0.254 414 G C 0.993 175.900 174.900 0.013 0.000 1.380 414 G CA -0.165 44.943 45.100 0.012 0.000 1.042 414 G HN 2.243 nan 8.290 nan 0.000 0.557 415 G N -1.978 106.830 108.800 0.013 0.000 2.179 415 G HA2 0.207 4.170 3.960 0.004 0.000 0.257 415 G HA3 0.207 4.170 3.960 0.004 0.000 0.257 415 G C 1.505 176.422 174.900 0.029 0.000 1.010 415 G CA 1.114 46.226 45.100 0.020 0.000 0.736 415 G HN 2.472 nan 8.290 nan 0.000 0.513 416 G N -2.032 106.783 108.800 0.025 0.000 2.212 416 G HA2 -0.119 3.844 3.960 0.004 0.000 0.267 416 G HA3 -0.119 3.844 3.960 0.004 0.000 0.267 416 G C 1.847 176.764 174.900 0.029 0.000 1.002 416 G CA 1.967 47.082 45.100 0.026 0.000 0.729 416 G HN 2.193 nan 8.290 nan 0.000 0.517 417 V N -0.884 119.049 119.914 0.031 0.000 2.548 417 V HA 0.284 4.406 4.120 0.004 0.000 0.249 417 V C 2.820 178.936 176.094 0.037 0.000 1.055 417 V CA 2.121 64.443 62.300 0.037 0.000 1.065 417 V CB -0.498 31.348 31.823 0.038 0.000 0.681 417 V HN 1.343 nan 8.190 nan 0.000 0.462 418 A N 0.599 123.438 122.820 0.032 0.000 1.884 418 A HA -0.197 4.125 4.320 0.004 0.000 0.219 418 A C 2.235 179.836 177.584 0.028 0.000 1.197 418 A CA 2.574 54.629 52.037 0.030 0.000 0.637 418 A CB -0.816 18.199 19.000 0.026 0.000 0.827 418 A HN 0.612 nan 8.150 nan 0.000 0.450 419 L N -1.177 120.061 121.223 0.026 0.000 2.179 419 L HA -0.012 4.330 4.340 0.004 0.000 0.208 419 L C 2.460 179.344 176.870 0.024 0.000 1.096 419 L CA 0.689 55.543 54.840 0.022 0.000 0.779 419 L CB -0.231 41.840 42.059 0.021 0.000 0.922 419 L HN 0.423 nan 8.230 nan 0.000 0.443 420 I N -0.605 119.982 120.570 0.028 0.000 2.315 420 I HA -0.269 3.903 4.170 0.004 0.000 0.248 420 I C 2.734 178.872 176.117 0.035 0.000 1.117 420 I CA 0.776 62.094 61.300 0.031 0.000 1.404 420 I CB 0.071 38.092 38.000 0.035 0.000 1.071 420 I HN 0.198 nan 8.210 nan 0.000 0.419 421 R N 0.322 120.845 120.500 0.039 0.000 2.066 421 R HA -0.102 4.240 4.340 0.004 0.000 0.232 421 R C 2.089 178.407 176.300 0.030 0.000 1.131 421 R CA 1.508 57.633 56.100 0.041 0.000 0.955 421 R CB -0.893 29.436 30.300 0.048 0.000 0.851 421 R HN 0.150 nan 8.270 nan 0.000 0.432 422 V N 0.946 120.876 119.914 0.025 0.000 2.252 422 V HA -0.322 3.800 4.120 0.004 0.000 0.249 422 V C 2.345 178.449 176.094 0.017 0.000 1.056 422 V CA 2.184 64.496 62.300 0.019 0.000 1.022 422 V CB -1.103 30.730 31.823 0.016 0.000 0.641 422 V HN 0.517 nan 8.190 nan 0.000 0.445 423 A N 0.749 123.579 122.820 0.018 0.000 1.892 423 A HA -0.270 4.053 4.320 0.004 0.000 0.218 423 A C 2.548 180.141 177.584 0.016 0.000 1.188 423 A CA 2.729 54.775 52.037 0.015 0.000 0.631 423 A CB -0.936 18.073 19.000 0.016 0.000 0.822 423 A HN 0.751 nan 8.150 nan 0.000 0.447 424 S N -0.349 115.363 115.700 0.020 0.000 2.419 424 S HA -0.146 4.326 4.470 0.004 0.000 0.233 424 S C 1.727 176.337 174.600 0.015 0.000 1.016 424 S CA 1.492 59.703 58.200 0.019 0.000 0.974 424 S CB -0.344 62.871 63.200 0.024 0.000 0.786 424 S HN 0.612 nan 8.310 nan 0.000 0.492 425 K N 0.622 121.031 120.400 0.015 0.000 2.288 425 K HA 0.225 4.547 4.320 0.004 0.000 0.201 425 K C 1.289 177.895 176.600 0.009 0.000 1.048 425 K CA 0.717 57.011 56.287 0.012 0.000 0.956 425 K CB -0.196 32.312 32.500 0.013 0.000 0.746 425 K HN 0.425 nan 8.250 nan 0.000 0.461 426 L N -0.022 121.206 121.223 0.009 0.000 2.628 426 L HA 0.178 4.520 4.340 0.004 0.000 0.229 426 L C 1.920 178.794 176.870 0.006 0.000 1.137 426 L CA -0.193 54.651 54.840 0.007 0.000 0.909 426 L CB -0.129 41.934 42.059 0.006 0.000 1.137 426 L HN 0.081 nan 8.230 nan 0.000 0.470 427 A N 0.412 123.236 122.820 0.007 0.000 1.997 427 A HA -0.243 4.079 4.320 0.004 0.000 0.221 427 A C 1.645 179.231 177.584 0.004 0.000 1.172 427 A CA 2.010 54.051 52.037 0.006 0.000 0.645 427 A CB -0.277 18.727 19.000 0.006 0.000 0.813 427 A HN 0.364 nan 8.150 nan 0.000 0.454 428 D N -1.267 119.135 120.400 0.004 0.000 2.340 428 D HA 0.143 4.785 4.640 0.004 0.000 0.220 428 D C 0.367 176.668 176.300 0.002 0.000 1.039 428 D CA -0.128 53.874 54.000 0.003 0.000 0.866 428 D CB -0.189 40.613 40.800 0.002 0.000 0.913 428 D HN 0.367 nan 8.370 nan 0.000 0.523 429 L N 1.573 122.798 121.223 0.003 0.000 2.453 429 L HA 0.143 4.485 4.340 0.004 0.000 0.272 429 L C 0.079 176.950 176.870 0.002 0.000 1.182 429 L CA 0.522 55.364 54.840 0.002 0.000 0.858 429 L CB 0.242 42.303 42.059 0.002 0.000 1.120 429 L HN -0.236 nan 8.230 nan 0.000 0.474 430 R N 2.867 123.368 120.500 0.001 0.000 2.808 430 R HA 0.713 5.055 4.340 0.004 0.000 0.272 430 R C -0.185 176.115 176.300 0.001 0.000 0.995 430 R CA -0.300 55.801 56.100 0.001 0.000 0.917 430 R CB 1.421 31.721 30.300 0.001 0.000 1.217 430 R HN 0.822 nan 8.270 nan 0.000 0.471 431 G N -0.294 108.507 108.800 0.001 0.000 3.135 431 G HA2 0.227 4.189 3.960 0.004 0.000 0.159 431 G HA3 0.227 4.189 3.960 0.004 0.000 0.159 431 G C -0.060 174.840 174.900 0.001 0.000 1.244 431 G CA -0.194 44.907 45.100 0.001 0.000 0.965 431 G HN 0.393 nan 8.290 nan 0.000 0.599 432 Q N -0.383 119.418 119.800 0.001 0.000 2.402 432 Q HA 0.169 4.511 4.340 0.004 0.000 0.206 432 Q C -0.021 175.979 176.000 0.001 0.000 0.919 432 Q CA 0.597 56.401 55.803 0.001 0.000 0.923 432 Q CB 0.236 28.974 28.738 0.001 0.000 1.048 432 Q HN 0.596 nan 8.270 nan 0.000 0.515 433 N N -2.728 115.973 118.700 0.001 0.000 2.934 433 N HA 0.210 4.953 4.740 0.004 0.000 0.253 433 N C 0.300 175.810 175.510 0.002 0.000 1.466 433 N CA 0.113 53.163 53.050 0.001 0.000 0.858 433 N CB 0.189 38.677 38.487 0.001 0.000 1.459 433 N HN -0.155 nan 8.380 nan 0.000 0.532 434 E N -0.152 120.049 120.200 0.002 0.000 2.085 434 E HA -0.229 4.124 4.350 0.004 0.000 0.194 434 E C 0.902 177.504 176.600 0.002 0.000 0.994 434 E CA 2.150 58.551 56.400 0.002 0.000 0.801 434 E CB -1.204 28.497 29.700 0.001 0.000 0.743 434 E HN 0.686 nan 8.360 nan 0.000 0.453 435 D N 0.045 120.446 120.400 0.002 0.000 2.144 435 D HA -0.139 4.504 4.640 0.004 0.000 0.199 435 D C 2.121 178.423 176.300 0.003 0.000 0.984 435 D CA 1.362 55.364 54.000 0.003 0.000 0.834 435 D CB -0.314 40.488 40.800 0.004 0.000 0.955 435 D HN 0.602 nan 8.370 nan 0.000 0.465 436 Q N -0.034 119.768 119.800 0.003 0.000 2.167 436 Q HA -0.066 4.276 4.340 0.004 0.000 0.202 436 Q C 1.700 177.701 176.000 0.002 0.000 0.970 436 Q CA 0.614 56.419 55.803 0.002 0.000 0.855 436 Q CB 0.080 28.819 28.738 0.002 0.000 0.911 436 Q HN 0.229 nan 8.270 nan 0.000 0.438 437 N N -0.096 118.605 118.700 0.002 0.000 2.216 437 N HA -0.102 4.640 4.740 0.004 0.000 0.183 437 N C 1.811 177.323 175.510 0.003 0.000 1.017 437 N CA 0.827 53.879 53.050 0.002 0.000 0.861 437 N CB -0.170 38.319 38.487 0.002 0.000 0.986 437 N HN 0.034 nan 8.380 nan 0.000 0.428 438 V N 0.905 120.821 119.914 0.003 0.000 2.343 438 V HA -0.141 3.981 4.120 0.004 0.000 0.247 438 V C 2.435 178.532 176.094 0.004 0.000 1.051 438 V CA 1.990 64.292 62.300 0.004 0.000 1.036 438 V CB -1.233 30.592 31.823 0.004 0.000 0.654 438 V HN 0.321 nan 8.190 nan 0.000 0.451 439 G N 0.073 108.875 108.800 0.004 0.000 2.459 439 G HA2 -0.264 3.698 3.960 0.004 0.000 0.217 439 G HA3 -0.264 3.698 3.960 0.004 0.000 0.217 439 G C 1.584 176.486 174.900 0.004 0.000 1.183 439 G CA 1.264 46.366 45.100 0.004 0.000 0.776 439 G HN 0.479 nan 8.290 nan 0.000 0.552 440 I N 0.543 121.115 120.570 0.003 0.000 2.118 440 I HA -0.201 3.971 4.170 0.004 0.000 0.241 440 I C 2.776 178.895 176.117 0.004 0.000 1.070 440 I CA 1.305 62.607 61.300 0.003 0.000 1.327 440 I CB -0.101 37.901 38.000 0.002 0.000 1.034 440 I HN 0.007 nan 8.210 nan 0.000 0.405 441 K N 0.388 120.791 120.400 0.004 0.000 2.063 441 K HA -0.116 4.206 4.320 0.004 0.000 0.208 441 K C 2.135 178.739 176.600 0.006 0.000 1.048 441 K CA 1.117 57.407 56.287 0.005 0.000 0.928 441 K CB -0.866 31.637 32.500 0.004 0.000 0.713 441 K HN 0.227 nan 8.250 nan 0.000 0.442 442 V N 1.510 121.428 119.914 0.006 0.000 2.407 442 V HA -0.232 3.890 4.120 0.004 0.000 0.248 442 V C 2.416 178.514 176.094 0.007 0.000 1.055 442 V CA 1.957 64.261 62.300 0.006 0.000 1.049 442 V CB -0.652 31.175 31.823 0.007 0.000 0.662 442 V HN 0.317 nan 8.190 nan 0.000 0.455 443 A N -0.506 122.318 122.820 0.007 0.000 1.929 443 A HA -0.051 4.271 4.320 0.004 0.000 0.216 443 A C 2.124 179.713 177.584 0.008 0.000 1.176 443 A CA 1.253 53.294 52.037 0.007 0.000 0.628 443 A CB -0.408 18.595 19.000 0.005 0.000 0.816 443 A HN 0.505 nan 8.150 nan 0.000 0.444 444 L N -1.260 119.968 121.223 0.007 0.000 2.201 444 L HA -0.104 4.238 4.340 0.004 0.000 0.212 444 L C 2.720 179.596 176.870 0.009 0.000 1.105 444 L CA 1.433 56.278 54.840 0.009 0.000 0.775 444 L CB -0.418 41.646 42.059 0.008 0.000 0.913 444 L HN 0.418 nan 8.230 nan 0.000 0.440 445 R N 0.167 120.672 120.500 0.009 0.000 2.127 445 R HA 0.006 4.348 4.340 0.004 0.000 0.217 445 R C 2.345 178.651 176.300 0.009 0.000 1.074 445 R CA 0.923 57.028 56.100 0.008 0.000 0.991 445 R CB -0.045 30.259 30.300 0.007 0.000 0.895 445 R HN 0.274 nan 8.270 nan 0.000 0.450 446 A N 0.467 123.293 122.820 0.010 0.000 2.067 446 A HA -0.112 4.211 4.320 0.004 0.000 0.219 446 A C 1.988 179.579 177.584 0.013 0.000 1.158 446 A CA 0.979 53.023 52.037 0.011 0.000 0.661 446 A CB -0.292 18.716 19.000 0.012 0.000 0.801 446 A HN 0.296 nan 8.150 nan 0.000 0.452 447 M N -0.589 119.019 119.600 0.013 0.000 2.296 447 M HA -0.117 4.365 4.480 0.004 0.000 0.265 447 M C 1.589 177.898 176.300 0.015 0.000 1.064 447 M CA 1.157 56.465 55.300 0.015 0.000 1.109 447 M CB -0.220 32.389 32.600 0.014 0.000 1.396 447 M HN 0.472 nan 8.290 nan 0.000 0.430 448 E N 0.264 120.472 120.200 0.014 0.000 2.347 448 E HA -0.065 4.287 4.350 0.004 0.000 0.196 448 E C 2.027 178.633 176.600 0.010 0.000 1.008 448 E CA 0.689 57.097 56.400 0.013 0.000 0.852 448 E CB -0.085 29.621 29.700 0.010 0.000 0.783 448 E HN 0.497 nan 8.360 nan 0.000 0.505 449 A N 2.378 125.204 122.820 0.010 0.000 1.908 449 A HA -0.132 4.190 4.320 0.004 0.000 0.218 449 A C -0.262 177.328 177.584 0.008 0.000 1.181 449 A CA 1.222 53.264 52.037 0.008 0.000 0.627 449 A CB -1.320 17.686 19.000 0.009 0.000 0.818 449 A HN 0.149 nan 8.150 nan 0.000 0.445 450 P HA -0.146 nan 4.420 nan 0.000 0.215 450 P C 1.806 179.114 177.300 0.013 0.000 1.157 450 P CA 0.872 63.980 63.100 0.014 0.000 0.863 450 P CB -0.164 31.546 31.700 0.018 0.000 0.787 451 L N -0.787 120.444 121.223 0.014 0.000 2.081 451 L HA -0.200 4.142 4.340 0.004 0.000 0.212 451 L C 2.379 179.248 176.870 -0.002 0.000 1.080 451 L CA 1.798 56.646 54.840 0.013 0.000 0.754 451 L CB -0.195 41.873 42.059 0.015 0.000 0.893 451 L HN -0.153 nan 8.230 nan 0.000 0.433 452 R N -1.263 119.233 120.500 -0.006 0.000 2.161 452 R HA -0.120 4.222 4.340 0.004 0.000 0.213 452 R C 2.193 178.484 176.300 -0.015 0.000 1.055 452 R CA 0.934 57.022 56.100 -0.020 0.000 0.996 452 R CB 0.025 30.318 30.300 -0.013 0.000 0.901 452 R HN 0.367 nan 8.270 nan 0.000 0.456 453 Q N 0.915 120.713 119.800 -0.003 0.000 2.163 453 Q HA 0.028 4.371 4.340 0.004 0.000 0.198 453 Q C 1.704 177.706 176.000 0.003 0.000 0.954 453 Q CA 1.212 57.015 55.803 -0.001 0.000 0.851 453 Q CB 0.033 28.773 28.738 0.003 0.000 0.928 453 Q HN 0.259 nan 8.270 nan 0.000 0.459 454 I N -0.480 120.096 120.570 0.010 0.000 2.264 454 I HA -0.275 3.897 4.170 0.004 0.000 0.248 454 I C 1.918 178.053 176.117 0.030 0.000 1.111 454 I CA 0.898 62.212 61.300 0.023 0.000 1.382 454 I CB -0.165 37.856 38.000 0.035 0.000 1.060 454 I HN 0.069 nan 8.210 nan 0.000 0.418 455 V N 0.330 120.247 119.914 0.005 0.000 2.307 455 V HA -0.259 3.864 4.120 0.004 0.000 0.245 455 V C 2.326 178.409 176.094 -0.018 0.000 1.045 455 V CA 1.538 63.820 62.300 -0.029 0.000 1.024 455 V CB -0.468 31.272 31.823 -0.138 0.000 0.651 455 V HN 0.337 nan 8.190 nan 0.000 0.449 456 L N 0.959 122.170 121.223 -0.019 0.000 2.012 456 L HA -0.173 4.170 4.340 0.004 0.000 0.210 456 L C 2.178 179.047 176.870 -0.001 0.000 1.073 456 L CA 1.989 56.821 54.840 -0.013 0.000 0.748 456 L CB -0.937 41.115 42.059 -0.011 0.000 0.891 456 L HN 0.322 nan 8.230 nan 0.000 0.431 457 N N -1.083 117.620 118.700 0.004 0.000 2.348 457 N HA -0.178 4.564 4.740 0.004 0.000 0.185 457 N C 1.701 177.218 175.510 0.013 0.000 1.019 457 N CA 1.585 54.640 53.050 0.007 0.000 0.880 457 N CB -0.803 37.689 38.487 0.008 0.000 0.965 457 N HN 0.440 nan 8.380 nan 0.000 0.437 458 C N -0.737 118.578 119.300 0.025 0.000 2.562 458 C HA 0.270 4.732 4.460 0.004 0.000 0.266 458 C C 1.684 176.689 174.990 0.025 0.000 1.382 458 C CA 0.297 59.336 59.018 0.035 0.000 1.742 458 C CB -1.174 26.616 27.740 0.084 0.000 1.812 458 C HN 0.620 nan 8.230 nan 0.000 0.559 459 G N 0.957 109.765 108.800 0.013 0.000 2.136 459 G HA2 -0.166 3.797 3.960 0.004 0.000 0.242 459 G HA3 -0.166 3.797 3.960 0.004 0.000 0.242 459 G C -0.196 174.707 174.900 0.004 0.000 0.989 459 G CA 0.253 45.357 45.100 0.007 0.000 0.682 459 G HN 0.493 nan 8.290 nan 0.000 0.522 460 E N 0.090 120.287 120.200 -0.004 0.000 2.285 460 E HA 0.444 4.796 4.350 0.004 0.000 0.254 460 E C 0.238 176.809 176.600 -0.050 0.000 1.011 460 E CA -0.767 55.618 56.400 -0.025 0.000 0.873 460 E CB 0.565 30.239 29.700 -0.044 0.000 1.229 460 E HN 0.490 nan 8.360 nan 0.000 0.422 461 E N 2.047 122.210 120.200 -0.061 0.000 2.052 461 E HA 0.114 4.466 4.350 0.004 0.000 0.283 461 E C -1.661 174.891 176.600 -0.081 0.000 1.071 461 E CA -1.636 54.732 56.400 -0.053 0.000 0.851 461 E CB 0.782 30.463 29.700 -0.030 0.000 1.066 461 E HN 0.111 nan 8.360 nan 0.000 0.396 462 P HA -0.222 nan 4.420 nan 0.000 0.216 462 P C 1.195 178.463 177.300 -0.053 0.000 1.157 462 P CA 1.281 64.341 63.100 -0.067 0.000 0.880 462 P CB 0.288 31.964 31.700 -0.039 0.000 0.791 463 S N -1.198 114.482 115.700 -0.033 0.000 2.406 463 S HA -0.059 4.413 4.470 0.004 0.000 0.228 463 S C 1.983 176.573 174.600 -0.016 0.000 1.020 463 S CA 0.767 58.956 58.200 -0.020 0.000 0.965 463 S CB -0.884 62.309 63.200 -0.011 0.000 0.798 463 S HN -0.061 nan 8.310 nan 0.000 0.488 464 V N 1.162 121.064 119.914 -0.020 0.000 2.323 464 V HA -0.094 4.029 4.120 0.004 0.000 0.244 464 V C 2.255 178.354 176.094 0.009 0.000 1.041 464 V CA 1.329 63.628 62.300 -0.000 0.000 1.025 464 V CB -0.518 31.307 31.823 0.003 0.000 0.656 464 V HN 0.325 nan 8.190 nan 0.000 0.451 465 V N 0.339 120.224 119.914 -0.049 0.000 2.358 465 V HA -0.222 3.900 4.120 0.004 0.000 0.246 465 V C 2.697 178.797 176.094 0.009 0.000 1.047 465 V CA 1.941 64.200 62.300 -0.068 0.000 1.035 465 V CB -1.139 30.427 31.823 -0.429 0.000 0.658 465 V HN 0.546 nan 8.190 nan 0.000 0.452 466 A N 0.475 123.284 122.820 -0.018 0.000 1.902 466 A HA -0.293 4.029 4.320 0.004 0.000 0.217 466 A C 2.071 179.673 177.584 0.030 0.000 1.181 466 A CA 2.370 54.412 52.037 0.008 0.000 0.623 466 A CB -0.878 18.120 19.000 -0.002 0.000 0.818 466 A HN 0.605 nan 8.150 nan 0.000 0.443 467 N N -0.881 117.832 118.700 0.021 0.000 2.223 467 N HA -0.104 4.638 4.740 0.004 0.000 0.185 467 N C 1.621 177.152 175.510 0.034 0.000 1.016 467 N CA 2.122 55.185 53.050 0.022 0.000 0.863 467 N CB -0.248 38.246 38.487 0.011 0.000 0.983 467 N HN 0.397 nan 8.380 nan 0.000 0.429 468 T N -0.869 113.711 114.554 0.043 0.000 2.851 468 T HA 0.010 4.363 4.350 0.004 0.000 0.262 468 T C 1.907 176.682 174.700 0.125 0.000 1.043 468 T CA 0.828 62.934 62.100 0.010 0.000 1.140 468 T CB -0.217 68.574 68.868 -0.128 0.000 0.872 468 T HN -0.017 nan 8.240 nan 0.000 0.446 469 V N 1.902 121.907 119.914 0.152 0.000 2.261 469 V HA -0.180 3.942 4.120 0.004 0.000 0.246 469 V C 2.425 178.627 176.094 0.180 0.000 1.047 469 V CA 1.584 63.993 62.300 0.182 0.000 1.015 469 V CB -0.492 31.403 31.823 0.119 0.000 0.642 469 V HN 0.470 nan 8.190 nan 0.000 0.446 470 K N 0.270 120.733 120.400 0.106 0.000 2.228 470 K HA -0.185 4.137 4.320 0.004 0.000 0.205 470 K C 2.049 178.689 176.600 0.067 0.000 1.045 470 K CA 1.520 57.853 56.287 0.077 0.000 0.931 470 K CB -0.577 31.950 32.500 0.046 0.000 0.727 470 K HN 0.597 nan 8.250 nan 0.000 0.458 471 G N 0.770 109.608 108.800 0.064 0.000 2.572 471 G HA2 -0.021 3.942 3.960 0.004 0.000 0.216 471 G HA3 -0.021 3.942 3.960 0.004 0.000 0.216 471 G C 0.754 175.657 174.900 0.005 0.000 1.133 471 G CA 0.536 45.650 45.100 0.024 0.000 0.791 471 G HN 0.370 nan 8.290 nan 0.000 0.538 472 G N -0.247 108.592 108.800 0.067 0.000 2.641 472 G HA2 0.535 4.497 3.960 0.004 0.000 0.239 472 G HA3 0.535 4.497 3.960 0.004 0.000 0.239 472 G C -0.821 174.105 174.900 0.042 0.000 1.402 472 G CA -0.004 45.067 45.100 -0.050 0.000 1.046 472 G HN 0.357 nan 8.290 nan 0.000 0.565 473 D N -3.608 116.817 120.400 0.042 0.000 2.759 473 D HA 0.540 5.183 4.640 0.004 0.000 0.321 473 D C 0.642 177.000 176.300 0.097 0.000 1.267 473 D CA 0.175 54.217 54.000 0.070 0.000 0.933 473 D CB 0.350 41.165 40.800 0.025 0.000 1.431 473 D HN 1.310 nan 8.370 nan 0.000 0.504 474 G N 0.224 109.067 108.800 0.073 0.000 2.596 474 G HA2 -0.385 3.578 3.960 0.004 0.000 0.295 474 G HA3 -0.385 3.578 3.960 0.004 0.000 0.295 474 G C 0.223 175.183 174.900 0.099 0.000 1.240 474 G CA 0.562 45.706 45.100 0.073 0.000 0.985 474 G HN 0.745 nan 8.290 nan 0.000 0.555 475 N N 0.013 118.774 118.700 0.101 0.000 2.421 475 N HA 0.231 4.973 4.740 0.004 0.000 0.201 475 N C 0.258 175.858 175.510 0.150 0.000 1.198 475 N CA -0.032 53.079 53.050 0.101 0.000 0.838 475 N CB 0.115 38.645 38.487 0.072 0.000 1.011 475 N HN 0.479 nan 8.380 nan 0.000 0.463 476 Y N 1.420 121.753 120.300 0.054 0.000 2.544 476 Y HA 0.334 4.885 4.550 0.002 0.000 0.330 476 Y C 0.772 176.742 175.900 0.116 0.000 1.136 476 Y CA 0.156 58.304 58.100 0.079 0.000 1.417 476 Y CB 0.030 38.526 38.460 0.060 0.000 1.229 476 Y HN 0.046 nan 8.280 nan 0.000 0.532 477 G N 3.989 112.594 108.800 -0.324 0.000 2.650 477 G HA2 0.217 4.179 3.960 0.004 0.000 0.310 477 G HA3 0.217 4.179 3.960 0.004 0.000 0.310 477 G C -2.382 172.436 174.900 -0.137 0.000 1.270 477 G CA -0.911 44.072 45.100 -0.194 0.000 0.810 477 G HN 0.484 nan 8.290 nan 0.000 0.493 478 Y N 1.677 121.857 120.300 -0.200 0.000 2.331 478 Y HA 0.558 5.111 4.550 0.004 0.000 0.338 478 Y C 0.075 175.845 175.900 -0.216 0.000 0.976 478 Y CA -1.293 56.615 58.100 -0.319 0.000 1.137 478 Y CB 1.356 39.620 38.460 -0.327 0.000 1.172 478 Y HN 0.412 nan 8.280 nan 0.000 0.478 479 N N 4.582 122.942 118.700 -0.567 0.000 2.402 479 N HA 0.151 4.893 4.740 0.004 0.000 0.252 479 N C 0.283 175.390 175.510 -0.672 0.000 1.118 479 N CA 0.581 53.356 53.050 -0.458 0.000 0.945 479 N CB 1.383 39.669 38.487 -0.335 0.000 1.147 479 N HN 0.886 nan 8.380 nan 0.000 0.495 480 A N 3.683 126.276 122.820 -0.379 0.000 2.072 480 A HA 0.123 4.445 4.320 0.004 0.000 0.216 480 A C 1.980 179.454 177.584 -0.183 0.000 1.156 480 A CA 1.069 52.951 52.037 -0.258 0.000 0.701 480 A CB -0.301 18.694 19.000 -0.008 0.000 0.816 480 A HN 0.697 nan 8.150 nan 0.000 0.458 481 A N -0.050 122.673 122.820 -0.161 0.000 1.933 481 A HA -0.063 4.259 4.320 0.004 0.000 0.218 481 A C 2.199 179.703 177.584 -0.135 0.000 1.175 481 A CA 2.281 54.248 52.037 -0.117 0.000 0.628 481 A CB -0.764 18.181 19.000 -0.091 0.000 0.814 481 A HN 0.732 nan 8.150 nan 0.000 0.444 482 T N -4.194 110.242 114.554 -0.198 0.000 3.044 482 T HA 0.294 4.646 4.350 0.004 0.000 0.260 482 T C 0.165 174.738 174.700 -0.212 0.000 1.019 482 T CA 0.524 62.526 62.100 -0.163 0.000 0.921 482 T CB -0.145 68.637 68.868 -0.143 0.000 1.053 482 T HN 0.524 nan 8.240 nan 0.000 0.533 483 E N 1.634 121.618 120.200 -0.360 0.000 2.320 483 E HA -0.138 4.214 4.350 0.004 0.000 0.234 483 E C -0.858 175.473 176.600 -0.448 0.000 1.183 483 E CA 0.487 56.611 56.400 -0.460 0.000 0.713 483 E CB -0.919 28.724 29.700 -0.096 0.000 1.226 483 E HN 0.664 nan 8.360 nan 0.000 0.382 484 E N -0.223 119.618 120.200 -0.599 0.000 2.340 484 E HA 0.321 4.673 4.350 0.004 0.000 0.273 484 E C -0.561 175.771 176.600 -0.445 0.000 0.891 484 E CA -0.769 55.431 56.400 -0.333 0.000 0.757 484 E CB 0.966 30.585 29.700 -0.136 0.000 1.231 484 E HN 0.071 nan 8.360 nan 0.000 0.439 485 Y N 0.175 120.445 120.300 -0.050 0.000 2.326 485 Y HA 0.529 5.080 4.550 0.002 0.000 0.333 485 Y C 1.304 177.180 175.900 -0.039 0.000 1.240 485 Y CA 0.780 58.835 58.100 -0.076 0.000 1.365 485 Y CB 1.311 39.791 38.460 0.033 0.000 1.289 485 Y HN 0.690 nan 8.280 nan 0.000 0.548 486 G N 0.916 109.764 108.800 0.080 0.000 2.335 486 G HA2 0.007 3.970 3.960 0.004 0.000 0.291 486 G HA3 0.007 3.970 3.960 0.004 0.000 0.291 486 G C -1.951 173.024 174.900 0.125 0.000 1.261 486 G CA -1.121 44.065 45.100 0.143 0.000 0.871 486 G HN 0.520 nan 8.290 nan 0.000 0.491 487 N N 0.830 119.603 118.700 0.122 0.000 2.434 487 N HA 0.206 4.948 4.740 0.004 0.000 0.272 487 N C 1.461 176.999 175.510 0.047 0.000 1.040 487 N CA -0.608 52.505 53.050 0.105 0.000 0.956 487 N CB 1.104 39.651 38.487 0.100 0.000 1.108 487 N HN 0.344 nan 8.380 nan 0.000 0.481 488 M N 3.169 122.791 119.600 0.036 0.000 2.229 488 M HA -0.088 4.394 4.480 0.004 0.000 0.264 488 M C 1.414 177.722 176.300 0.013 0.000 1.063 488 M CA 0.826 56.133 55.300 0.011 0.000 1.114 488 M CB -0.541 32.065 32.600 0.010 0.000 1.387 488 M HN 0.519 nan 8.290 nan 0.000 0.420 489 I N 0.599 121.183 120.570 0.025 0.000 2.353 489 I HA -0.169 4.003 4.170 0.004 0.000 0.248 489 I C 1.754 177.881 176.117 0.017 0.000 1.119 489 I CA 1.235 62.547 61.300 0.020 0.000 1.417 489 I CB -1.506 36.508 38.000 0.024 0.000 1.078 489 I HN 0.176 nan 8.210 nan 0.000 0.421 490 D N 0.248 120.662 120.400 0.022 0.000 2.219 490 D HA -0.088 4.555 4.640 0.004 0.000 0.205 490 D C 2.196 178.501 176.300 0.009 0.000 0.970 490 D CA 0.876 54.886 54.000 0.018 0.000 0.851 490 D CB -0.114 40.703 40.800 0.027 0.000 0.943 490 D HN 0.255 nan 8.370 nan 0.000 0.488 491 M N -0.867 118.735 119.600 0.003 0.000 2.659 491 M HA 0.123 4.606 4.480 0.004 0.000 0.243 491 M C 1.120 177.411 176.300 -0.014 0.000 1.111 491 M CA 0.523 55.815 55.300 -0.013 0.000 1.070 491 M CB 0.247 32.829 32.600 -0.030 0.000 1.525 491 M HN 0.044 nan 8.290 nan 0.000 0.517 492 G N 2.335 111.132 108.800 -0.006 0.000 2.283 492 G HA2 -0.254 3.708 3.960 0.004 0.000 0.280 492 G HA3 -0.254 3.708 3.960 0.004 0.000 0.280 492 G C -0.021 174.874 174.900 -0.008 0.000 1.029 492 G CA -0.022 45.075 45.100 -0.005 0.000 0.840 492 G HN 0.578 nan 8.290 nan 0.000 0.505 493 I N 0.668 121.231 120.570 -0.011 0.000 2.316 493 I HA 0.404 4.576 4.170 0.004 0.000 0.286 493 I C 0.552 176.668 176.117 -0.001 0.000 1.107 493 I CA -0.390 60.903 61.300 -0.012 0.000 1.219 493 I CB 0.327 38.313 38.000 -0.025 0.000 1.455 493 I HN -0.010 nan 8.210 nan 0.000 0.498 494 L N 4.585 125.811 121.223 0.004 0.000 2.342 494 L HA 0.626 4.968 4.340 0.004 0.000 0.271 494 L C -0.796 176.082 176.870 0.014 0.000 1.008 494 L CA -0.841 54.005 54.840 0.010 0.000 0.818 494 L CB 1.916 43.982 42.059 0.011 0.000 1.296 494 L HN 0.333 nan 8.230 nan 0.000 0.427 495 D N 1.725 122.135 120.400 0.018 0.000 2.498 495 D HA 0.387 5.029 4.640 0.004 0.000 0.247 495 D C -2.556 173.759 176.300 0.024 0.000 1.070 495 D CA -1.489 52.525 54.000 0.023 0.000 0.842 495 D CB 2.247 43.061 40.800 0.024 0.000 1.361 495 D HN 0.120 nan 8.370 nan 0.000 0.484 496 P HA 0.054 nan 4.420 nan 0.000 0.267 496 P C 0.819 178.135 177.300 0.026 0.000 1.205 496 P CA 0.025 63.140 63.100 0.026 0.000 0.765 496 P CB 0.587 32.306 31.700 0.032 0.000 0.828 497 T N 2.430 116.997 114.554 0.020 0.000 2.721 497 T HA -0.239 4.113 4.350 0.004 0.000 0.268 497 T C 1.560 176.273 174.700 0.023 0.000 1.038 497 T CA 1.464 63.575 62.100 0.019 0.000 1.145 497 T CB -0.293 68.583 68.868 0.014 0.000 0.858 497 T HN 0.516 nan 8.240 nan 0.000 0.459 498 K N 0.896 121.310 120.400 0.024 0.000 2.155 498 K HA -0.026 4.296 4.320 0.004 0.000 0.203 498 K C 2.419 179.048 176.600 0.048 0.000 1.052 498 K CA 0.986 57.291 56.287 0.030 0.000 0.948 498 K CB -0.245 32.270 32.500 0.025 0.000 0.728 498 K HN 0.312 nan 8.250 nan 0.000 0.448 499 V N 0.288 120.233 119.914 0.052 0.000 2.453 499 V HA -0.148 3.974 4.120 0.004 0.000 0.247 499 V C 1.627 177.755 176.094 0.058 0.000 1.048 499 V CA 2.364 64.702 62.300 0.063 0.000 1.049 499 V CB -0.407 31.455 31.823 0.065 0.000 0.672 499 V HN 0.339 nan 8.190 nan 0.000 0.457 500 T N 0.256 114.836 114.554 0.043 0.000 2.851 500 T HA -0.046 4.306 4.350 0.004 0.000 0.262 500 T C 1.912 176.633 174.700 0.034 0.000 1.043 500 T CA 1.605 63.727 62.100 0.037 0.000 1.140 500 T CB -0.280 68.605 68.868 0.028 0.000 0.872 500 T HN 0.578 nan 8.240 nan 0.000 0.446 501 R N 1.212 121.728 120.500 0.027 0.000 2.088 501 R HA -0.124 4.218 4.340 0.004 0.000 0.232 501 R C 2.548 178.856 176.300 0.013 0.000 1.136 501 R CA 2.050 58.156 56.100 0.011 0.000 0.926 501 R CB -0.539 29.762 30.300 0.002 0.000 0.837 501 R HN 0.235 nan 8.270 nan 0.000 0.429 502 S N 0.670 116.400 115.700 0.050 0.000 2.374 502 S HA -0.226 4.246 4.470 0.004 0.000 0.227 502 S C 2.054 176.770 174.600 0.194 0.000 1.037 502 S CA 1.371 59.645 58.200 0.123 0.000 1.024 502 S CB -0.446 62.891 63.200 0.228 0.000 0.861 502 S HN 0.608 nan 8.310 nan 0.000 0.456 503 A N 1.408 124.310 122.820 0.137 0.000 1.883 503 A HA -0.097 4.225 4.320 0.004 0.000 0.217 503 A C 2.172 179.817 177.584 0.102 0.000 1.186 503 A CA 1.708 53.821 52.037 0.127 0.000 0.624 503 A CB -0.801 18.245 19.000 0.077 0.000 0.822 503 A HN 0.426 nan 8.150 nan 0.000 0.444 504 L N -0.325 120.929 121.223 0.053 0.000 2.056 504 L HA -0.175 4.167 4.340 0.004 0.000 0.207 504 L C 2.438 179.307 176.870 -0.002 0.000 1.078 504 L CA 2.325 57.179 54.840 0.024 0.000 0.749 504 L CB -0.630 41.434 42.059 0.008 0.000 0.901 504 L HN 0.511 nan 8.230 nan 0.000 0.433 505 Q N -2.014 117.749 119.800 -0.061 0.000 2.137 505 Q HA -0.159 4.184 4.340 0.004 0.000 0.198 505 Q C 2.082 177.967 176.000 -0.192 0.000 0.960 505 Q CA 1.544 57.248 55.803 -0.165 0.000 0.847 505 Q CB -0.183 28.390 28.738 -0.276 0.000 0.915 505 Q HN 0.524 nan 8.270 nan 0.000 0.448 506 Y N 0.297 120.601 120.300 0.006 0.000 2.263 506 Y HA -0.097 4.455 4.550 0.003 0.000 0.292 506 Y C 2.380 178.283 175.900 0.005 0.000 1.130 506 Y CA 0.827 58.930 58.100 0.005 0.000 1.179 506 Y CB -0.573 37.890 38.460 0.005 0.000 0.998 506 Y HN 0.112 nan 8.280 nan 0.000 0.532 507 A N 0.160 123.075 122.820 0.159 0.000 1.883 507 A HA -0.194 4.128 4.320 0.004 0.000 0.217 507 A C 2.437 180.057 177.584 0.060 0.000 1.186 507 A CA 2.212 54.303 52.037 0.091 0.000 0.624 507 A CB -1.215 17.825 19.000 0.067 0.000 0.822 507 A HN 0.390 nan 8.150 nan 0.000 0.444 508 A N -1.124 121.717 122.820 0.035 0.000 1.970 508 A HA 0.030 4.352 4.320 0.004 0.000 0.216 508 A C 2.444 180.038 177.584 0.017 0.000 1.170 508 A CA 1.923 53.968 52.037 0.015 0.000 0.645 508 A CB -0.733 18.263 19.000 -0.005 0.000 0.816 508 A HN 0.637 nan 8.150 nan 0.000 0.447 509 S N -0.483 115.230 115.700 0.021 0.000 2.357 509 S HA -0.102 4.370 4.470 0.004 0.000 0.221 509 S C 1.862 176.492 174.600 0.050 0.000 1.031 509 S CA 1.641 59.857 58.200 0.027 0.000 0.982 509 S CB -0.436 62.782 63.200 0.031 0.000 0.853 509 S HN 0.247 nan 8.310 nan 0.000 0.458 510 V N 2.181 122.139 119.914 0.074 0.000 2.548 510 V HA 0.009 4.131 4.120 0.004 0.000 0.249 510 V C 2.906 179.024 176.094 0.040 0.000 1.055 510 V CA 1.467 63.803 62.300 0.060 0.000 1.065 510 V CB -1.227 30.635 31.823 0.064 0.000 0.681 510 V HN 0.621 nan 8.190 nan 0.000 0.462 511 A N 0.638 123.481 122.820 0.038 0.000 1.898 511 A HA -0.065 4.257 4.320 0.004 0.000 0.216 511 A C 2.407 180.005 177.584 0.022 0.000 1.181 511 A CA 1.811 53.864 52.037 0.028 0.000 0.620 511 A CB -1.101 17.913 19.000 0.025 0.000 0.819 511 A HN 0.511 nan 8.150 nan 0.000 0.442 512 G N -0.278 108.535 108.800 0.021 0.000 2.422 512 G HA2 -0.111 3.851 3.960 0.004 0.000 0.218 512 G HA3 -0.111 3.851 3.960 0.004 0.000 0.218 512 G C 1.513 176.423 174.900 0.018 0.000 1.140 512 G CA 0.940 46.050 45.100 0.016 0.000 0.775 512 G HN 0.435 nan 8.290 nan 0.000 0.545 513 L N -0.260 120.976 121.223 0.022 0.000 2.093 513 L HA -0.019 4.323 4.340 0.004 0.000 0.208 513 L C 3.070 179.952 176.870 0.021 0.000 1.085 513 L CA 0.952 55.805 54.840 0.021 0.000 0.755 513 L CB -0.300 41.774 42.059 0.025 0.000 0.904 513 L HN 0.233 nan 8.230 nan 0.000 0.435 514 M N -0.755 118.858 119.600 0.022 0.000 2.193 514 M HA -0.125 4.357 4.480 0.004 0.000 0.265 514 M C 2.328 178.640 176.300 0.020 0.000 1.071 514 M CA 1.582 56.894 55.300 0.021 0.000 1.140 514 M CB -0.271 32.343 32.600 0.022 0.000 1.369 514 M HN 0.169 nan 8.290 nan 0.000 0.423 515 I N 0.459 121.040 120.570 0.018 0.000 2.335 515 I HA -0.249 3.923 4.170 0.004 0.000 0.251 515 I C 1.795 177.922 176.117 0.018 0.000 1.129 515 I CA 1.567 62.877 61.300 0.017 0.000 1.402 515 I CB -0.465 37.544 38.000 0.015 0.000 1.069 515 I HN 0.404 nan 8.210 nan 0.000 0.424 516 T N -3.668 110.897 114.554 0.018 0.000 3.176 516 T HA 0.158 4.510 4.350 0.004 0.000 0.263 516 T C 0.569 175.282 174.700 0.022 0.000 1.021 516 T CA -0.305 61.807 62.100 0.019 0.000 0.905 516 T CB -0.380 68.499 68.868 0.017 0.000 1.057 516 T HN -0.052 nan 8.240 nan 0.000 0.558 517 T N 2.694 117.261 114.554 0.021 0.000 2.814 517 T HA 0.253 4.605 4.350 0.004 0.000 0.297 517 T C 0.773 175.489 174.700 0.026 0.000 0.956 517 T CA -0.241 61.872 62.100 0.020 0.000 1.123 517 T CB 1.343 70.222 68.868 0.018 0.000 0.902 517 T HN 0.095 nan 8.240 nan 0.000 0.528 518 E N 0.808 121.028 120.200 0.033 0.000 2.447 518 E HA 0.188 4.540 4.350 0.004 0.000 0.204 518 E C 0.014 176.638 176.600 0.040 0.000 0.977 518 E CA -0.063 56.375 56.400 0.062 0.000 0.950 518 E CB 0.390 30.147 29.700 0.096 0.000 0.975 518 E HN 0.617 nan 8.360 nan 0.000 0.496 519 C N 0.181 119.456 119.300 -0.043 0.000 2.985 519 C HA 0.717 5.179 4.460 0.004 0.000 0.332 519 C C -1.463 173.438 174.990 -0.148 0.000 1.164 519 C CA -0.743 58.145 59.018 -0.217 0.000 1.347 519 C CB 0.246 27.802 27.740 -0.307 0.000 1.764 519 C HN 0.190 nan 8.230 nan 0.000 0.489 520 M N 4.926 124.437 119.600 -0.148 0.000 2.395 520 M HA 0.645 5.128 4.480 0.004 0.000 0.307 520 M C -1.100 175.266 176.300 0.111 0.000 1.091 520 M CA -0.601 54.730 55.300 0.050 0.000 0.919 520 M CB 2.157 34.910 32.600 0.256 0.000 1.662 520 M HN 0.394 nan 8.290 nan 0.000 0.440 521 V N 1.007 120.946 119.914 0.041 0.000 2.588 521 V HA 0.812 4.934 4.120 0.004 0.000 0.304 521 V C -0.372 175.658 176.094 -0.106 0.000 1.042 521 V CA -0.437 61.863 62.300 -0.000 0.000 0.877 521 V CB 1.964 33.768 31.823 -0.033 0.000 0.996 521 V HN 0.959 nan 8.190 nan 0.000 0.425 522 T N 1.589 116.035 114.554 -0.181 0.000 2.792 522 T HA 0.384 4.736 4.350 0.004 0.000 0.303 522 T C -1.441 173.149 174.700 -0.185 0.000 1.310 522 T CA -0.569 61.363 62.100 -0.280 0.000 1.007 522 T CB 1.885 70.389 68.868 -0.606 0.000 1.335 522 T HN 0.641 nan 8.240 nan 0.000 0.504 523 D N 2.002 122.309 120.400 -0.155 0.000 2.443 523 D HA 0.233 4.875 4.640 0.004 0.000 0.239 523 D C 0.118 176.365 176.300 -0.089 0.000 1.136 523 D CA -0.046 53.897 54.000 -0.095 0.000 0.879 523 D CB 0.334 41.088 40.800 -0.077 0.000 1.195 523 D HN 0.258 nan 8.370 nan 0.000 0.443 524 L N 4.381 125.582 121.223 -0.036 0.000 2.490 524 L HA 0.136 4.478 4.340 0.004 0.000 0.274 524 L C -1.856 175.004 176.870 -0.018 0.000 1.201 524 L CA -1.295 53.540 54.840 -0.008 0.000 0.869 524 L CB -0.247 41.817 42.059 0.008 0.000 1.123 524 L HN 0.272 nan 8.230 nan 0.000 0.484 525 P HA 0.156 nan 4.420 nan 0.000 0.263 525 P C -0.718 176.580 177.300 -0.004 0.000 1.276 525 P CA 0.305 63.399 63.100 -0.011 0.000 0.986 525 P CB 0.217 31.921 31.700 0.006 0.000 1.105 526 K N 0.000 120.394 120.400 -0.010 0.000 2.780 526 K HA 0.000 4.322 4.320 0.004 0.000 0.191 526 K CA 0.000 56.284 56.287 -0.005 0.000 0.838 526 K CB 0.000 32.500 32.500 -0.001 0.000 1.064 526 K HN 0.000 nan 8.250 nan 0.000 0.543