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 1pcq_1_N DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.577 177.584 -0.011 0.000 1.274 2 A CA 0.000 52.030 52.037 -0.012 0.000 0.836 2 A CB 0.000 18.989 19.000 -0.018 0.000 0.831 3 A N 3.028 125.843 122.820 -0.007 0.000 2.567 3 A HA 0.482 4.802 4.320 -0.000 0.000 0.240 3 A C 0.421 177.998 177.584 -0.012 0.000 1.053 3 A CA 0.497 52.531 52.037 -0.004 0.000 0.755 3 A CB -0.060 18.941 19.000 0.001 0.000 0.978 3 A HN 0.640 nan 8.150 nan 0.000 0.507 4 K N 1.626 122.020 120.400 -0.011 0.000 2.185 4 K HA 0.449 4.769 4.320 -0.000 0.000 0.240 4 K C -1.008 175.588 176.600 -0.006 0.000 0.983 4 K CA -0.751 55.522 56.287 -0.024 0.000 0.873 4 K CB 1.277 33.759 32.500 -0.030 0.000 1.118 4 K HN 0.718 nan 8.250 nan 0.000 0.441 5 D N 0.805 121.198 120.400 -0.010 0.000 2.217 5 D HA 0.346 4.986 4.640 -0.000 0.000 0.243 5 D C -1.317 175.048 176.300 0.108 0.000 1.054 5 D CA -0.645 53.394 54.000 0.064 0.000 0.838 5 D CB 1.352 42.215 40.800 0.105 0.000 1.162 5 D HN 0.066 nan 8.370 nan 0.000 0.472 6 V N 4.183 124.134 119.914 0.062 0.000 2.487 6 V HA 0.434 4.553 4.120 -0.000 0.000 0.298 6 V C 0.071 176.015 176.094 -0.249 0.000 1.028 6 V CA -0.781 61.458 62.300 -0.102 0.000 0.860 6 V CB 1.774 33.472 31.823 -0.208 0.000 0.991 6 V HN 0.424 nan 8.190 nan 0.000 0.427 7 K N 3.325 123.528 120.400 -0.328 0.000 2.318 7 K HA 0.755 5.075 4.320 -0.000 0.000 0.249 7 K C -1.645 174.640 176.600 -0.525 0.000 0.942 7 K CA -0.473 55.554 56.287 -0.433 0.000 0.808 7 K CB 2.031 34.161 32.500 -0.615 0.000 1.189 7 K HN 0.507 nan 8.250 nan 0.000 0.428 8 F N 0.981 120.894 119.950 -0.061 0.000 2.532 8 F HA 0.384 4.911 4.527 -0.000 0.000 0.321 8 F C 1.124 176.898 175.800 -0.042 0.000 1.089 8 F CA 0.101 58.082 58.000 -0.032 0.000 0.926 8 F CB 2.080 41.070 39.000 -0.017 0.000 1.168 8 F HN 0.839 nan 8.300 nan 0.000 0.459 9 G N 2.851 111.771 108.800 0.200 0.000 2.634 9 G HA2 -0.493 3.467 3.960 -0.000 0.000 0.318 9 G HA3 -0.493 3.467 3.960 -0.000 0.000 0.318 9 G C 1.019 175.945 174.900 0.044 0.000 1.207 9 G CA 1.150 46.312 45.100 0.104 0.000 0.987 9 G HN 0.708 nan 8.290 nan 0.000 0.547 10 N N 0.952 119.669 118.700 0.029 0.000 2.025 10 N HA -0.084 4.656 4.740 -0.000 0.000 0.194 10 N C 1.877 177.373 175.510 -0.024 0.000 1.044 10 N CA 2.359 55.411 53.050 0.003 0.000 0.851 10 N CB -0.359 38.128 38.487 0.001 0.000 1.036 10 N HN 0.557 nan 8.380 nan 0.000 0.422 11 D N 0.102 120.480 120.400 -0.037 0.000 2.133 11 D HA -0.198 4.441 4.640 -0.000 0.000 0.192 11 D C 1.798 178.001 176.300 -0.161 0.000 1.001 11 D CA 1.572 55.513 54.000 -0.098 0.000 0.844 11 D CB -0.841 39.890 40.800 -0.114 0.000 0.944 11 D HN 0.425 nan 8.370 nan 0.000 0.447 12 A N 0.605 123.335 122.820 -0.150 0.000 1.948 12 A HA -0.230 4.090 4.320 -0.000 0.000 0.220 12 A C 2.202 179.736 177.584 -0.083 0.000 1.177 12 A CA 1.638 53.575 52.037 -0.167 0.000 0.636 12 A CB -0.392 18.557 19.000 -0.086 0.000 0.815 12 A HN 0.149 nan 8.150 nan 0.000 0.449 13 R N -1.310 119.163 120.500 -0.044 0.000 2.066 13 R HA 0.042 4.382 4.340 -0.000 0.000 0.224 13 R C 2.084 178.371 176.300 -0.021 0.000 1.122 13 R CA 1.024 57.115 56.100 -0.016 0.000 0.974 13 R CB -0.532 29.768 30.300 -0.001 0.000 0.871 13 R HN 0.334 nan 8.270 nan 0.000 0.435 14 V N 1.951 121.845 119.914 -0.034 0.000 2.317 14 V HA -0.329 3.791 4.120 -0.000 0.000 0.251 14 V C 2.172 178.247 176.094 -0.033 0.000 1.065 14 V CA 1.767 64.049 62.300 -0.031 0.000 1.049 14 V CB -0.365 31.435 31.823 -0.039 0.000 0.651 14 V HN 0.206 nan 8.190 nan 0.000 0.450 15 K N -0.774 119.589 120.400 -0.061 0.000 1.985 15 K HA -0.104 4.215 4.320 -0.000 0.000 0.210 15 K C 2.086 178.696 176.600 0.016 0.000 1.047 15 K CA 1.683 57.947 56.287 -0.038 0.000 0.932 15 K CB -0.765 31.667 32.500 -0.113 0.000 0.716 15 K HN 0.384 nan 8.250 nan 0.000 0.439 16 M N 0.152 119.764 119.600 0.021 0.000 2.144 16 M HA -0.214 4.266 4.480 -0.000 0.000 0.260 16 M C 1.944 178.261 176.300 0.027 0.000 1.067 16 M CA 1.196 56.520 55.300 0.040 0.000 1.095 16 M CB -0.161 32.461 32.600 0.038 0.000 1.365 16 M HN 0.086 nan 8.290 nan 0.000 0.406 17 L N 0.405 121.637 121.223 0.015 0.000 1.988 17 L HA -0.184 4.156 4.340 -0.000 0.000 0.207 17 L C 2.327 179.204 176.870 0.013 0.000 1.071 17 L CA 1.889 56.737 54.840 0.012 0.000 0.744 17 L CB -0.708 41.355 42.059 0.006 0.000 0.893 17 L HN 0.188 nan 8.230 nan 0.000 0.433 18 R N -0.223 120.284 120.500 0.011 0.000 2.117 18 R HA -0.160 4.180 4.340 -0.000 0.000 0.243 18 R C 2.155 178.466 176.300 0.018 0.000 1.143 18 R CA 1.291 57.398 56.100 0.013 0.000 0.968 18 R CB -1.310 28.997 30.300 0.011 0.000 0.863 18 R HN 0.618 nan 8.270 nan 0.000 0.444 19 G N 1.018 109.834 108.800 0.027 0.000 2.511 19 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.216 19 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.216 19 G C 1.451 176.364 174.900 0.021 0.000 1.218 19 G CA 0.945 46.063 45.100 0.029 0.000 0.788 19 G HN 0.281 nan 8.290 nan 0.000 0.560 20 V N 1.199 121.126 119.914 0.020 0.000 2.261 20 V HA -0.240 3.880 4.120 -0.000 0.000 0.246 20 V C 2.310 178.412 176.094 0.012 0.000 1.047 20 V CA 2.894 65.203 62.300 0.016 0.000 1.015 20 V CB -0.919 30.914 31.823 0.017 0.000 0.642 20 V HN 0.548 nan 8.190 nan 0.000 0.446 21 N N -0.474 118.233 118.700 0.012 0.000 2.069 21 N HA -0.224 4.516 4.740 -0.000 0.000 0.196 21 N C 1.766 177.281 175.510 0.008 0.000 1.024 21 N CA 1.930 54.986 53.050 0.009 0.000 0.869 21 N CB -0.300 38.192 38.487 0.008 0.000 1.035 21 N HN 0.471 nan 8.380 nan 0.000 0.434 22 V N 1.742 121.661 119.914 0.009 0.000 2.233 22 V HA -0.234 3.885 4.120 -0.000 0.000 0.247 22 V C 2.270 178.367 176.094 0.006 0.000 1.050 22 V CA 1.421 63.725 62.300 0.007 0.000 1.010 22 V CB -0.681 31.147 31.823 0.009 0.000 0.637 22 V HN 0.396 nan 8.190 nan 0.000 0.444 23 L N -0.029 121.198 121.223 0.006 0.000 1.978 23 L HA -0.289 4.051 4.340 -0.000 0.000 0.218 23 L C 2.604 179.475 176.870 0.003 0.000 1.075 23 L CA 2.611 57.453 54.840 0.003 0.000 0.767 23 L CB -0.781 41.281 42.059 0.004 0.000 0.890 23 L HN 0.413 nan 8.230 nan 0.000 0.434 24 A N -0.466 122.357 122.820 0.005 0.000 1.883 24 A HA -0.266 4.054 4.320 -0.000 0.000 0.217 24 A C 1.802 179.388 177.584 0.004 0.000 1.186 24 A CA 2.026 54.066 52.037 0.005 0.000 0.624 24 A CB -0.733 18.271 19.000 0.007 0.000 0.822 24 A HN 0.539 nan 8.150 nan 0.000 0.444 25 D N -0.058 120.345 120.400 0.004 0.000 2.218 25 D HA -0.037 4.603 4.640 -0.000 0.000 0.204 25 D C 2.097 178.399 176.300 0.002 0.000 0.976 25 D CA 1.383 55.385 54.000 0.003 0.000 0.853 25 D CB -0.302 40.500 40.800 0.003 0.000 0.939 25 D HN 0.459 nan 8.370 nan 0.000 0.481 26 A N 0.148 122.969 122.820 0.001 0.000 1.898 26 A HA -0.049 4.271 4.320 -0.000 0.000 0.214 26 A C 2.312 179.896 177.584 -0.001 0.000 1.183 26 A CA 0.817 52.854 52.037 0.000 0.000 0.622 26 A CB -0.443 18.557 19.000 -0.000 0.000 0.824 26 A HN 0.188 nan 8.150 nan 0.000 0.444 27 V N 0.825 120.738 119.914 -0.001 0.000 2.878 27 V HA -0.091 4.029 4.120 -0.000 0.000 0.250 27 V C 2.350 178.444 176.094 -0.001 0.000 1.075 27 V CA 1.888 64.187 62.300 -0.002 0.000 1.096 27 V CB -0.364 31.457 31.823 -0.003 0.000 0.724 27 V HN 0.790 nan 8.190 nan 0.000 0.467 28 K N 0.648 121.049 120.400 0.001 0.000 2.366 28 K HA -0.032 4.288 4.320 -0.000 0.000 0.198 28 K C 1.557 178.158 176.600 0.002 0.000 1.044 28 K CA 1.639 57.928 56.287 0.002 0.000 0.973 28 K CB -0.442 32.060 32.500 0.004 0.000 0.767 28 K HN 0.486 nan 8.250 nan 0.000 0.475 29 V N -0.080 119.835 119.914 0.001 0.000 3.444 29 V HA -0.045 4.075 4.120 -0.000 0.000 0.271 29 V C 1.692 177.786 176.094 0.001 0.000 1.188 29 V CA 1.331 63.632 62.300 0.001 0.000 1.168 29 V CB -0.967 30.856 31.823 0.001 0.000 0.810 29 V HN 0.499 nan 8.190 nan 0.000 0.500 30 T N -3.436 111.118 114.554 -0.000 0.000 3.069 30 T HA 0.223 4.573 4.350 -0.000 0.000 0.252 30 T C 1.398 176.097 174.700 -0.002 0.000 1.053 30 T CA 0.456 62.556 62.100 -0.002 0.000 0.964 30 T CB 0.502 69.368 68.868 -0.004 0.000 1.005 30 T HN 0.326 nan 8.240 nan 0.000 0.532 31 L N 2.703 123.927 121.223 0.001 0.000 2.027 31 L HA 0.356 4.696 4.340 -0.000 0.000 0.206 31 L C 1.703 178.574 176.870 0.001 0.000 1.074 31 L CA 1.385 56.226 54.840 0.001 0.000 0.745 31 L CB -1.359 40.703 42.059 0.004 0.000 0.898 31 L HN 0.400 nan 8.230 nan 0.000 0.433 32 G N -0.431 108.371 108.800 0.004 0.000 2.492 32 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.308 32 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.308 32 G C -1.534 173.362 174.900 -0.006 0.000 1.323 32 G CA 0.347 45.449 45.100 0.003 0.000 1.132 32 G HN 0.412 nan 8.290 nan 0.000 0.630 33 P HA 0.145 nan 4.420 nan 0.000 0.245 33 P C 0.298 177.589 177.300 -0.016 0.000 1.206 33 P CA 0.799 63.887 63.100 -0.020 0.000 0.781 33 P CB 0.538 32.218 31.700 -0.033 0.000 0.994 34 K N 0.861 121.255 120.400 -0.010 0.000 3.122 34 K HA 0.335 4.655 4.320 -0.000 0.000 0.193 34 K C 0.639 177.238 176.600 -0.001 0.000 1.141 34 K CA -0.348 55.935 56.287 -0.006 0.000 0.975 34 K CB 1.112 33.610 32.500 -0.005 0.000 1.173 34 K HN -0.007 nan 8.250 nan 0.000 0.546 35 G N 1.210 110.009 108.800 -0.002 0.000 2.594 35 G HA2 0.071 4.031 3.960 -0.000 0.000 0.243 35 G HA3 0.071 4.031 3.960 -0.000 0.000 0.243 35 G C 0.234 175.133 174.900 -0.001 0.000 1.229 35 G CA -0.470 44.630 45.100 -0.001 0.000 0.843 35 G HN 0.223 nan 8.290 nan 0.000 0.578 36 R N 0.231 120.732 120.500 0.000 0.000 2.577 36 R HA 0.188 4.528 4.340 -0.000 0.000 0.269 36 R C 0.463 176.763 176.300 -0.001 0.000 1.084 36 R CA -0.443 55.657 56.100 -0.000 0.000 1.163 36 R CB 0.291 30.591 30.300 0.001 0.000 1.100 36 R HN 0.738 nan 8.270 nan 0.000 0.547 37 N N -0.095 118.605 118.700 -0.001 0.000 2.492 37 N HA 0.343 5.083 4.740 -0.000 0.000 0.289 37 N C -0.721 174.788 175.510 -0.002 0.000 1.133 37 N CA -0.671 52.378 53.050 -0.002 0.000 0.961 37 N CB 1.653 40.139 38.487 -0.002 0.000 1.186 37 N HN 0.057 nan 8.380 nan 0.000 0.493 38 V N 1.400 121.313 119.914 -0.002 0.000 2.495 38 V HA 0.251 4.371 4.120 -0.000 0.000 0.298 38 V C -0.003 176.090 176.094 -0.002 0.000 1.031 38 V CA -0.833 61.466 62.300 -0.002 0.000 0.871 38 V CB 1.922 33.743 31.823 -0.002 0.000 0.988 38 V HN 0.404 nan 8.190 nan 0.000 0.432 39 V N 6.053 125.965 119.914 -0.002 0.000 2.407 39 V HA 0.427 4.547 4.120 -0.000 0.000 0.278 39 V C -0.483 175.611 176.094 -0.002 0.000 1.037 39 V CA -0.550 61.749 62.300 -0.002 0.000 0.900 39 V CB 1.413 33.234 31.823 -0.002 0.000 0.983 39 V HN 0.488 nan 8.190 nan 0.000 0.459 40 L N 4.255 125.477 121.223 -0.001 0.000 2.318 40 L HA 0.501 4.841 4.340 -0.000 0.000 0.277 40 L C 0.065 176.936 176.870 0.001 0.000 1.008 40 L CA -0.296 54.544 54.840 -0.000 0.000 0.846 40 L CB 0.957 43.016 42.059 -0.000 0.000 1.220 40 L HN 0.618 nan 8.230 nan 0.000 0.423 41 D N 3.341 123.741 120.400 -0.000 0.000 2.364 41 D HA 0.203 4.843 4.640 -0.000 0.000 0.236 41 D C -0.105 176.199 176.300 0.007 0.000 1.221 41 D CA 0.481 54.482 54.000 0.000 0.000 0.891 41 D CB 0.826 41.623 40.800 -0.006 0.000 1.190 41 D HN 0.416 nan 8.370 nan 0.000 0.449 42 K N 0.265 120.672 120.400 0.013 0.000 2.546 42 K HA 0.244 4.564 4.320 -0.000 0.000 0.264 42 K C 0.404 177.027 176.600 0.038 0.000 0.937 42 K CA -0.543 55.764 56.287 0.033 0.000 0.833 42 K CB 1.257 33.781 32.500 0.040 0.000 1.378 42 K HN 0.369 nan 8.250 nan 0.000 0.432 43 S N 1.706 117.452 115.700 0.077 0.000 2.472 43 S HA -0.008 4.462 4.470 -0.000 0.000 0.213 43 S C 0.544 175.135 174.600 -0.015 0.000 1.064 43 S CA 0.870 59.081 58.200 0.019 0.000 1.144 43 S CB -0.503 62.770 63.200 0.120 0.000 1.085 43 S HN 0.451 nan 8.310 nan 0.000 0.405 44 F N 2.379 122.324 119.950 -0.009 0.000 2.429 44 F HA 0.531 5.058 4.527 -0.000 0.000 0.348 44 F C 1.420 177.215 175.800 -0.008 0.000 1.109 44 F CA 0.279 58.274 58.000 -0.008 0.000 1.232 44 F CB -0.556 38.439 39.000 -0.008 0.000 1.157 44 F HN 0.671 nan 8.300 nan 0.000 0.564 45 G N 0.774 109.658 108.800 0.141 0.000 2.725 45 G HA2 0.207 4.167 3.960 -0.000 0.000 0.220 45 G HA3 0.207 4.167 3.960 -0.000 0.000 0.220 45 G C -0.649 174.277 174.900 0.044 0.000 1.357 45 G CA -0.753 44.396 45.100 0.082 0.000 0.866 45 G HN 1.137 nan 8.290 nan 0.000 0.548 46 A N 1.105 123.945 122.820 0.032 0.000 2.351 46 A HA 0.795 5.115 4.320 -0.000 0.000 0.257 46 A C -0.664 176.930 177.584 0.017 0.000 1.087 46 A CA -0.008 52.040 52.037 0.018 0.000 0.798 46 A CB -0.060 18.948 19.000 0.014 0.000 1.033 46 A HN 0.931 nan 8.150 nan 0.000 0.488 47 P HA 0.252 nan 4.420 nan 0.000 0.275 47 P C -0.362 176.943 177.300 0.008 0.000 1.270 47 P CA -0.022 63.083 63.100 0.008 0.000 0.791 47 P CB 0.319 32.021 31.700 0.003 0.000 1.089 48 T N 0.516 115.074 114.554 0.006 0.000 2.792 48 T HA 0.531 4.881 4.350 -0.000 0.000 0.280 48 T C 0.049 174.750 174.700 0.002 0.000 0.990 48 T CA -0.362 61.740 62.100 0.004 0.000 0.960 48 T CB 0.123 68.993 68.868 0.004 0.000 0.939 48 T HN 0.158 nan 8.240 nan 0.000 0.439 49 I N 2.701 123.271 120.570 0.001 0.000 2.359 49 I HA 0.552 4.722 4.170 -0.000 0.000 0.294 49 I C 0.411 176.527 176.117 -0.002 0.000 0.987 49 I CA -0.550 60.750 61.300 -0.001 0.000 1.225 49 I CB 1.722 39.722 38.000 -0.001 0.000 1.366 49 I HN 0.438 nan 8.210 nan 0.000 0.466 50 T N 4.311 118.864 114.554 -0.002 0.000 2.956 50 T HA 0.308 4.658 4.350 -0.000 0.000 0.312 50 T C -0.074 174.623 174.700 -0.004 0.000 1.151 50 T CA -0.552 61.546 62.100 -0.003 0.000 1.024 50 T CB 1.699 70.564 68.868 -0.004 0.000 1.140 50 T HN 0.651 nan 8.240 nan 0.000 0.473 51 K N 1.744 122.141 120.400 -0.005 0.000 2.440 51 K HA 0.235 4.555 4.320 -0.000 0.000 0.206 51 K C -0.515 176.081 176.600 -0.006 0.000 1.025 51 K CA -0.141 56.143 56.287 -0.005 0.000 1.135 51 K CB 0.430 32.927 32.500 -0.005 0.000 0.856 51 K HN 0.399 nan 8.250 nan 0.000 0.502 52 D N -0.524 119.872 120.400 -0.007 0.000 2.460 52 D HA 0.160 4.800 4.640 -0.000 0.000 0.232 52 D C 1.174 177.469 176.300 -0.009 0.000 1.079 52 D CA -0.414 53.581 54.000 -0.008 0.000 0.864 52 D CB 1.111 41.906 40.800 -0.009 0.000 1.048 52 D HN 0.147 nan 8.370 nan 0.000 0.523 53 G N 2.415 111.210 108.800 -0.009 0.000 2.624 53 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.221 53 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.221 53 G C 1.575 176.468 174.900 -0.013 0.000 1.169 53 G CA 1.262 46.356 45.100 -0.010 0.000 0.771 53 G HN 0.476 nan 8.290 nan 0.000 0.598 54 V N 0.576 120.480 119.914 -0.017 0.000 2.278 54 V HA -0.241 3.879 4.120 -0.000 0.000 0.251 54 V C 3.089 179.172 176.094 -0.017 0.000 1.062 54 V CA 2.465 64.753 62.300 -0.020 0.000 1.038 54 V CB -0.781 31.027 31.823 -0.024 0.000 0.646 54 V HN 0.412 nan 8.190 nan 0.000 0.447 55 S N -0.811 114.881 115.700 -0.014 0.000 2.382 55 S HA -0.140 4.330 4.470 -0.000 0.000 0.228 55 S C 1.918 176.512 174.600 -0.010 0.000 1.027 55 S CA 1.415 59.608 58.200 -0.012 0.000 0.991 55 S CB -0.089 63.105 63.200 -0.010 0.000 0.823 55 S HN 0.380 nan 8.310 nan 0.000 0.469 56 V N 1.689 121.598 119.914 -0.009 0.000 2.270 56 V HA -0.152 3.968 4.120 -0.000 0.000 0.245 56 V C 2.628 178.717 176.094 -0.009 0.000 1.043 56 V CA 1.677 63.972 62.300 -0.007 0.000 1.014 56 V CB -1.198 30.621 31.823 -0.006 0.000 0.645 56 V HN 0.523 nan 8.190 nan 0.000 0.447 57 A N 0.382 123.195 122.820 -0.011 0.000 1.892 57 A HA -0.334 3.986 4.320 -0.000 0.000 0.218 57 A C 2.363 179.939 177.584 -0.013 0.000 1.188 57 A CA 2.488 54.518 52.037 -0.012 0.000 0.631 57 A CB -0.725 18.266 19.000 -0.016 0.000 0.822 57 A HN 0.525 nan 8.150 nan 0.000 0.447 58 R N -0.658 119.833 120.500 -0.014 0.000 2.154 58 R HA -0.220 4.120 4.340 -0.000 0.000 0.248 58 R C 1.708 178.000 176.300 -0.013 0.000 1.155 58 R CA 1.975 58.066 56.100 -0.015 0.000 0.979 58 R CB -0.193 30.097 30.300 -0.016 0.000 0.869 58 R HN 0.470 nan 8.270 nan 0.000 0.452 59 E N -0.120 120.074 120.200 -0.010 0.000 2.299 59 E HA 0.080 4.430 4.350 -0.000 0.000 0.193 59 E C -0.124 176.471 176.600 -0.007 0.000 0.998 59 E CA 0.188 56.583 56.400 -0.008 0.000 0.851 59 E CB 0.244 29.940 29.700 -0.006 0.000 0.795 59 E HN 0.218 nan 8.360 nan 0.000 0.492 60 I N 1.919 122.485 120.570 -0.007 0.000 2.452 60 I HA 0.164 4.334 4.170 -0.000 0.000 0.287 60 I C 0.125 176.239 176.117 -0.006 0.000 1.079 60 I CA 0.365 61.662 61.300 -0.005 0.000 1.387 60 I CB 0.427 38.425 38.000 -0.004 0.000 1.404 60 I HN 0.049 nan 8.210 nan 0.000 0.522 61 E N 6.944 127.141 120.200 -0.005 0.000 2.311 61 E HA 0.482 4.831 4.350 -0.000 0.000 0.281 61 E C -1.681 174.918 176.600 -0.003 0.000 0.905 61 E CA -0.569 55.828 56.400 -0.006 0.000 0.778 61 E CB 1.906 31.601 29.700 -0.008 0.000 1.240 61 E HN 0.456 nan 8.360 nan 0.000 0.410 62 L N 3.173 124.395 121.223 -0.001 0.000 2.358 62 L HA 0.401 4.741 4.340 -0.000 0.000 0.268 62 L C 1.497 178.368 176.870 0.002 0.000 1.032 62 L CA -0.445 54.398 54.840 0.004 0.000 0.805 62 L CB 1.392 43.459 42.059 0.013 0.000 1.253 62 L HN 0.743 nan 8.230 nan 0.000 0.452 63 E N 0.377 120.581 120.200 0.007 0.000 2.033 63 E HA -0.152 4.198 4.350 -0.000 0.000 0.189 63 E C 0.436 177.041 176.600 0.008 0.000 0.979 63 E CA 0.325 56.727 56.400 0.004 0.000 0.802 63 E CB 0.262 29.965 29.700 0.006 0.000 0.763 63 E HN 0.630 nan 8.360 nan 0.000 0.449 64 D N 2.080 122.497 120.400 0.028 0.000 2.346 64 D HA -0.037 4.603 4.640 -0.000 0.000 0.267 64 D C -0.686 175.646 176.300 0.053 0.000 1.320 64 D CA 0.160 54.196 54.000 0.060 0.000 0.951 64 D CB 0.242 41.091 40.800 0.083 0.000 1.079 64 D HN 0.111 nan 8.370 nan 0.000 0.509 65 K N 2.768 123.160 120.400 -0.014 0.000 2.455 65 K HA 0.061 4.380 4.320 -0.000 0.000 0.269 65 K C 0.573 177.139 176.600 -0.056 0.000 0.972 65 K CA -0.334 55.881 56.287 -0.119 0.000 0.938 65 K CB 0.676 33.015 32.500 -0.268 0.000 0.931 65 K HN 0.346 nan 8.250 nan 0.000 0.507 66 F N -1.455 118.482 119.950 -0.021 0.000 2.516 66 F HA -0.344 4.183 4.527 -0.000 0.000 0.759 66 F C 1.975 177.765 175.800 -0.016 0.000 0.485 66 F CA 1.633 59.619 58.000 -0.024 0.000 0.787 66 F CB -1.462 37.522 39.000 -0.027 0.000 1.625 66 F HN 0.752 nan 8.300 nan 0.000 0.280 67 E N 0.314 120.649 120.200 0.225 0.000 2.086 67 E HA -0.325 4.025 4.350 -0.000 0.000 0.205 67 E C 1.597 178.239 176.600 0.070 0.000 1.027 67 E CA 2.037 58.502 56.400 0.108 0.000 0.830 67 E CB -0.380 29.369 29.700 0.080 0.000 0.751 67 E HN 0.455 nan 8.360 nan 0.000 0.456 68 N N -0.157 118.573 118.700 0.050 0.000 2.061 68 N HA -0.194 4.545 4.740 -0.000 0.000 0.193 68 N C 1.715 177.233 175.510 0.013 0.000 1.030 68 N CA 1.649 54.709 53.050 0.016 0.000 0.856 68 N CB -0.032 38.449 38.487 -0.011 0.000 1.023 68 N HN 0.145 nan 8.380 nan 0.000 0.424 69 M N -0.719 118.892 119.600 0.018 0.000 2.067 69 M HA -0.060 4.420 4.480 -0.000 0.000 0.260 69 M C 2.280 178.599 176.300 0.031 0.000 1.069 69 M CA 1.636 56.946 55.300 0.016 0.000 1.117 69 M CB -0.972 31.641 32.600 0.022 0.000 1.334 69 M HN 0.306 nan 8.290 nan 0.000 0.407 70 G N 0.516 109.346 108.800 0.051 0.000 2.649 70 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.220 70 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.220 70 G C 1.590 176.506 174.900 0.027 0.000 1.189 70 G CA 1.702 46.828 45.100 0.042 0.000 0.777 70 G HN 0.571 nan 8.290 nan 0.000 0.602 71 A N -0.766 122.068 122.820 0.023 0.000 1.898 71 A HA -0.006 4.314 4.320 -0.000 0.000 0.216 71 A C 2.381 179.969 177.584 0.006 0.000 1.181 71 A CA 1.949 53.994 52.037 0.013 0.000 0.620 71 A CB -0.349 18.657 19.000 0.011 0.000 0.819 71 A HN 0.331 nan 8.150 nan 0.000 0.442 72 Q N -0.891 118.911 119.800 0.004 0.000 2.291 72 Q HA -0.094 4.246 4.340 -0.000 0.000 0.206 72 Q C 1.936 177.936 176.000 -0.001 0.000 0.976 72 Q CA 1.289 57.091 55.803 -0.002 0.000 0.875 72 Q CB -0.415 28.319 28.738 -0.006 0.000 0.927 72 Q HN 0.778 nan 8.270 nan 0.000 0.450 73 M N -0.935 118.669 119.600 0.007 0.000 2.115 73 M HA -0.121 4.358 4.480 -0.000 0.000 0.261 73 M C 2.177 178.481 176.300 0.008 0.000 1.079 73 M CA 0.917 56.224 55.300 0.011 0.000 1.143 73 M CB -0.102 32.510 32.600 0.021 0.000 1.332 73 M HN -0.070 nan 8.290 nan 0.000 0.421 74 V N 0.682 120.603 119.914 0.010 0.000 2.324 74 V HA -0.332 3.788 4.120 -0.000 0.000 0.250 74 V C 2.147 178.235 176.094 -0.009 0.000 1.060 74 V CA 1.854 64.159 62.300 0.007 0.000 1.042 74 V CB -0.804 31.026 31.823 0.011 0.000 0.650 74 V HN 0.440 nan 8.190 nan 0.000 0.450 75 K N -0.442 119.951 120.400 -0.012 0.000 2.103 75 K HA -0.252 4.068 4.320 -0.000 0.000 0.207 75 K C 2.284 178.859 176.600 -0.040 0.000 1.048 75 K CA 1.813 58.086 56.287 -0.024 0.000 0.930 75 K CB -0.175 32.314 32.500 -0.018 0.000 0.716 75 K HN 0.545 nan 8.250 nan 0.000 0.444 76 E N 0.386 120.564 120.200 -0.036 0.000 2.107 76 E HA -0.137 4.213 4.350 -0.000 0.000 0.191 76 E C 1.968 178.509 176.600 -0.098 0.000 0.982 76 E CA 0.691 57.060 56.400 -0.051 0.000 0.809 76 E CB 0.255 29.938 29.700 -0.028 0.000 0.756 76 E HN 0.039 nan 8.360 nan 0.000 0.459 77 V N 0.931 120.795 119.914 -0.083 0.000 2.270 77 V HA -0.229 3.891 4.120 -0.000 0.000 0.245 77 V C 2.368 178.311 176.094 -0.251 0.000 1.043 77 V CA 1.861 64.083 62.300 -0.130 0.000 1.014 77 V CB -0.464 31.365 31.823 0.009 0.000 0.645 77 V HN 0.396 nan 8.190 nan 0.000 0.447 78 A N -0.939 121.804 122.820 -0.127 0.000 1.933 78 A HA -0.235 4.085 4.320 -0.000 0.000 0.218 78 A C 2.552 180.046 177.584 -0.150 0.000 1.175 78 A CA 2.218 54.189 52.037 -0.110 0.000 0.628 78 A CB -0.806 18.165 19.000 -0.049 0.000 0.814 78 A HN 0.536 nan 8.150 nan 0.000 0.444 79 S N -0.581 115.034 115.700 -0.142 0.000 2.368 79 S HA -0.212 4.258 4.470 -0.000 0.000 0.225 79 S C 2.051 176.535 174.600 -0.194 0.000 1.030 79 S CA 1.947 60.068 58.200 -0.132 0.000 0.999 79 S CB -0.304 62.840 63.200 -0.093 0.000 0.844 79 S HN 0.590 nan 8.310 nan 0.000 0.459 80 K N 0.465 120.671 120.400 -0.324 0.000 2.097 80 K HA 0.041 4.361 4.320 -0.000 0.000 0.205 80 K C 2.345 178.648 176.600 -0.495 0.000 1.050 80 K CA 0.917 56.937 56.287 -0.445 0.000 0.938 80 K CB -0.452 31.657 32.500 -0.652 0.000 0.718 80 K HN 0.449 nan 8.250 nan 0.000 0.442 81 A N 2.008 124.483 122.820 -0.575 0.000 1.859 81 A HA -0.300 4.020 4.320 -0.000 0.000 0.218 81 A C 1.972 179.514 177.584 -0.071 0.000 1.209 81 A CA 2.072 54.015 52.037 -0.157 0.000 0.639 81 A CB -1.047 17.933 19.000 -0.033 0.000 0.835 81 A HN 0.381 nan 8.150 nan 0.000 0.450 82 N N 0.122 118.761 118.700 -0.102 0.000 2.132 82 N HA -0.198 4.542 4.740 -0.000 0.000 0.191 82 N C 0.943 176.396 175.510 -0.096 0.000 1.015 82 N CA 1.879 54.873 53.050 -0.093 0.000 0.864 82 N CB -0.387 38.044 38.487 -0.095 0.000 1.006 82 N HN 0.469 nan 8.380 nan 0.000 0.430 83 D N -0.176 120.172 120.400 -0.087 0.000 2.264 83 D HA -0.034 4.606 4.640 -0.000 0.000 0.208 83 D C 0.867 177.164 176.300 -0.004 0.000 0.966 83 D CA 0.633 54.603 54.000 -0.049 0.000 0.864 83 D CB -0.072 40.698 40.800 -0.050 0.000 0.933 83 D HN 0.326 nan 8.370 nan 0.000 0.499 84 A N -0.982 121.847 122.820 0.014 0.000 2.574 84 A HA 0.720 5.039 4.320 -0.000 0.000 0.283 84 A C 0.980 178.603 177.584 0.066 0.000 1.270 84 A CA 0.486 52.566 52.037 0.072 0.000 0.945 84 A CB 0.491 19.585 19.000 0.156 0.000 1.127 84 A HN 0.142 nan 8.150 nan 0.000 0.522 85 A N -2.304 120.529 122.820 0.022 0.000 1.868 85 A HA 0.554 4.873 4.320 -0.000 0.000 0.132 85 A C 1.251 178.800 177.584 -0.058 0.000 1.440 85 A CA 0.802 52.847 52.037 0.014 0.000 2.235 85 A CB -0.527 18.484 19.000 0.019 0.000 2.253 85 A HN 1.684 nan 8.150 nan 0.000 1.206 86 G N -0.922 107.785 108.800 -0.156 0.000 2.870 86 G HA2 0.197 4.157 3.960 -0.000 0.000 0.216 86 G HA3 0.197 4.157 3.960 -0.000 0.000 0.216 86 G C -0.455 174.337 174.900 -0.181 0.000 0.973 86 G CA 0.732 45.634 45.100 -0.331 0.000 0.807 86 G HN 0.761 nan 8.290 nan 0.000 0.573 87 D N -2.039 118.303 120.400 -0.097 0.000 2.768 87 D HA 0.495 5.135 4.640 -0.000 0.000 0.327 87 D C 0.983 177.262 176.300 -0.036 0.000 1.302 87 D CA 0.415 54.379 54.000 -0.060 0.000 0.897 87 D CB 1.065 41.843 40.800 -0.037 0.000 1.420 87 D HN 1.068 nan 8.370 nan 0.000 0.494 88 G N -0.512 108.274 108.800 -0.022 0.000 2.238 88 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.217 88 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.217 88 G C 1.106 176.000 174.900 -0.010 0.000 0.996 88 G CA 0.968 46.064 45.100 -0.006 0.000 0.632 88 G HN 0.506 nan 8.290 nan 0.000 0.503 89 T N 1.359 115.896 114.554 -0.028 0.000 2.635 89 T HA -0.275 4.075 4.350 -0.000 0.000 0.265 89 T C 2.400 177.089 174.700 -0.019 0.000 1.058 89 T CA 2.874 64.954 62.100 -0.034 0.000 1.162 89 T CB -0.793 68.051 68.868 -0.041 0.000 0.859 89 T HN 0.576 nan 8.240 nan 0.000 0.449 90 T N 1.518 116.064 114.554 -0.013 0.000 2.812 90 T HA -0.075 4.274 4.350 -0.000 0.000 0.264 90 T C 2.340 177.040 174.700 0.001 0.000 1.042 90 T CA 1.593 63.689 62.100 -0.007 0.000 1.140 90 T CB -0.663 68.202 68.868 -0.006 0.000 0.870 90 T HN 0.482 nan 8.240 nan 0.000 0.445 91 T N 2.349 116.906 114.554 0.004 0.000 2.708 91 T HA -0.033 4.317 4.350 -0.000 0.000 0.266 91 T C 2.461 177.173 174.700 0.019 0.000 1.037 91 T CA 1.136 63.243 62.100 0.013 0.000 1.146 91 T CB -0.738 68.139 68.868 0.016 0.000 0.865 91 T HN 0.422 nan 8.240 nan 0.000 0.435 92 A N 1.875 124.708 122.820 0.022 0.000 1.881 92 A HA -0.259 4.061 4.320 -0.000 0.000 0.219 92 A C 2.572 180.171 177.584 0.025 0.000 1.215 92 A CA 2.688 54.745 52.037 0.033 0.000 0.648 92 A CB -1.642 17.372 19.000 0.024 0.000 0.832 92 A HN 0.510 nan 8.150 nan 0.000 0.455 93 T N -0.274 114.286 114.554 0.011 0.000 2.635 93 T HA -0.158 4.192 4.350 -0.000 0.000 0.267 93 T C 1.863 176.571 174.700 0.013 0.000 1.040 93 T CA 1.826 63.931 62.100 0.009 0.000 1.156 93 T CB -0.674 68.195 68.868 0.001 0.000 0.863 93 T HN 0.199 nan 8.240 nan 0.000 0.430 94 V N 1.261 121.183 119.914 0.012 0.000 2.407 94 V HA -0.115 4.004 4.120 -0.000 0.000 0.248 94 V C 2.432 178.535 176.094 0.015 0.000 1.055 94 V CA 1.421 63.728 62.300 0.012 0.000 1.049 94 V CB -0.729 31.101 31.823 0.011 0.000 0.662 94 V HN 0.405 nan 8.190 nan 0.000 0.455 95 L N -0.186 121.049 121.223 0.019 0.000 2.068 95 L HA -0.031 4.309 4.340 -0.000 0.000 0.204 95 L C 2.779 179.663 176.870 0.024 0.000 1.076 95 L CA 1.306 56.160 54.840 0.022 0.000 0.753 95 L CB -0.795 41.281 42.059 0.028 0.000 0.910 95 L HN 0.315 nan 8.230 nan 0.000 0.439 96 A N -0.268 122.569 122.820 0.028 0.000 1.873 96 A HA -0.347 3.973 4.320 -0.000 0.000 0.218 96 A C 2.253 179.850 177.584 0.022 0.000 1.193 96 A CA 2.286 54.341 52.037 0.029 0.000 0.629 96 A CB -0.829 18.191 19.000 0.032 0.000 0.826 96 A HN 0.526 nan 8.150 nan 0.000 0.447 97 Q N -0.636 119.175 119.800 0.018 0.000 2.135 97 Q HA -0.183 4.157 4.340 -0.000 0.000 0.204 97 Q C 2.164 178.172 176.000 0.014 0.000 0.981 97 Q CA 1.837 57.649 55.803 0.015 0.000 0.856 97 Q CB -0.353 28.392 28.738 0.012 0.000 0.902 97 Q HN 0.626 nan 8.270 nan 0.000 0.425 98 A N 0.505 123.334 122.820 0.014 0.000 1.898 98 A HA -0.131 4.189 4.320 -0.000 0.000 0.216 98 A C 1.928 179.520 177.584 0.013 0.000 1.181 98 A CA 1.341 53.385 52.037 0.013 0.000 0.620 98 A CB -0.463 18.545 19.000 0.013 0.000 0.819 98 A HN 0.459 nan 8.150 nan 0.000 0.442 99 I N -0.409 120.170 120.570 0.016 0.000 2.206 99 I HA -0.159 4.011 4.170 -0.000 0.000 0.239 99 I C 2.246 178.372 176.117 0.015 0.000 1.078 99 I CA 0.991 62.300 61.300 0.015 0.000 1.367 99 I CB -0.456 37.555 38.000 0.018 0.000 1.078 99 I HN 0.232 nan 8.210 nan 0.000 0.413 100 I N 0.698 121.278 120.570 0.017 0.000 2.145 100 I HA -0.363 3.807 4.170 -0.000 0.000 0.244 100 I C 2.640 178.765 176.117 0.013 0.000 1.075 100 I CA 1.834 63.143 61.300 0.016 0.000 1.332 100 I CB -0.900 37.111 38.000 0.018 0.000 1.033 100 I HN 0.288 nan 8.210 nan 0.000 0.410 101 T N 0.096 114.657 114.554 0.012 0.000 2.665 101 T HA -0.178 4.172 4.350 -0.000 0.000 0.268 101 T C 1.843 176.548 174.700 0.008 0.000 1.035 101 T CA 1.484 63.589 62.100 0.009 0.000 1.151 101 T CB -0.126 68.747 68.868 0.008 0.000 0.862 101 T HN 0.319 nan 8.240 nan 0.000 0.438 102 E N 0.101 120.306 120.200 0.008 0.000 2.122 102 E HA 0.090 4.440 4.350 -0.000 0.000 0.190 102 E C 2.441 179.046 176.600 0.008 0.000 0.977 102 E CA 0.715 57.119 56.400 0.007 0.000 0.820 102 E CB -0.718 28.987 29.700 0.007 0.000 0.770 102 E HN 0.525 nan 8.360 nan 0.000 0.462 103 G N 1.877 110.682 108.800 0.009 0.000 2.552 103 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.216 103 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.216 103 G C 1.521 176.427 174.900 0.009 0.000 1.240 103 G CA 0.595 45.701 45.100 0.010 0.000 0.796 103 G HN 0.157 nan 8.290 nan 0.000 0.568 104 L N 0.888 122.117 121.223 0.010 0.000 2.051 104 L HA -0.084 4.256 4.340 -0.000 0.000 0.214 104 L C 2.723 179.597 176.870 0.006 0.000 1.076 104 L CA 1.807 56.652 54.840 0.008 0.000 0.758 104 L CB -0.803 41.261 42.059 0.008 0.000 0.890 104 L HN 0.240 nan 8.230 nan 0.000 0.433 105 K N -1.397 119.006 120.400 0.005 0.000 2.103 105 K HA -0.182 4.137 4.320 -0.000 0.000 0.207 105 K C 2.028 178.631 176.600 0.004 0.000 1.048 105 K CA 1.334 57.623 56.287 0.004 0.000 0.930 105 K CB -0.087 32.415 32.500 0.004 0.000 0.716 105 K HN 0.379 nan 8.250 nan 0.000 0.444 106 A N 0.457 123.280 122.820 0.005 0.000 1.854 106 A HA -0.113 4.207 4.320 -0.000 0.000 0.214 106 A C 2.190 179.777 177.584 0.005 0.000 1.192 106 A CA 1.564 53.604 52.037 0.005 0.000 0.611 106 A CB -0.879 18.124 19.000 0.005 0.000 0.832 106 A HN 0.257 nan 8.150 nan 0.000 0.442 107 V N -0.706 119.212 119.914 0.006 0.000 2.392 107 V HA -0.135 3.985 4.120 -0.000 0.000 0.249 107 V C 2.430 178.527 176.094 0.005 0.000 1.059 107 V CA 2.470 64.773 62.300 0.007 0.000 1.051 107 V CB -1.031 30.798 31.823 0.009 0.000 0.658 107 V HN 0.568 nan 8.190 nan 0.000 0.455 108 A N -0.130 122.692 122.820 0.004 0.000 2.121 108 A HA 0.296 4.616 4.320 -0.000 0.000 0.218 108 A C 2.341 179.925 177.584 0.001 0.000 1.154 108 A CA 1.653 53.692 52.037 0.002 0.000 0.679 108 A CB -0.770 18.230 19.000 0.001 0.000 0.795 108 A HN 1.085 nan 8.150 nan 0.000 0.458 109 A N -1.814 121.007 122.820 0.002 0.000 2.132 109 A HA 0.432 4.752 4.320 -0.000 0.000 0.213 109 A C 1.553 179.137 177.584 0.001 0.000 1.154 109 A CA 1.190 53.228 52.037 0.001 0.000 0.753 109 A CB -0.435 18.566 19.000 0.002 0.000 0.826 109 A HN 1.770 nan 8.150 nan 0.000 0.469 110 G N -1.441 107.360 108.800 0.002 0.000 2.186 110 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.130 110 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.130 110 G C -0.145 174.756 174.900 0.002 0.000 1.031 110 G CA 0.036 45.136 45.100 0.001 0.000 0.697 110 G HN 0.280 nan 8.290 nan 0.000 0.494 111 M N 0.066 119.667 119.600 0.003 0.000 2.705 111 M HA 0.420 4.899 4.480 -0.000 0.000 0.311 111 M C 0.205 176.507 176.300 0.004 0.000 1.214 111 M CA -0.989 54.313 55.300 0.003 0.000 0.920 111 M CB 1.285 33.887 32.600 0.004 0.000 1.687 111 M HN 0.075 nan 8.290 nan 0.000 0.481 112 N N 1.984 120.687 118.700 0.004 0.000 2.405 112 N HA 0.134 4.874 4.740 -0.000 0.000 0.260 112 N C -2.135 173.379 175.510 0.007 0.000 1.152 112 N CA -1.241 51.812 53.050 0.005 0.000 0.948 112 N CB 1.073 39.563 38.487 0.004 0.000 1.111 112 N HN 0.262 nan 8.380 nan 0.000 0.485 113 P HA -0.124 nan 4.420 nan 0.000 0.217 113 P C 1.276 178.582 177.300 0.010 0.000 1.148 113 P CA 1.178 64.284 63.100 0.011 0.000 0.828 113 P CB 0.294 32.002 31.700 0.013 0.000 0.783 114 M N -1.156 118.450 119.600 0.009 0.000 2.236 114 M HA -0.071 4.409 4.480 -0.000 0.000 0.266 114 M C 1.408 177.712 176.300 0.007 0.000 1.070 114 M CA 1.577 56.882 55.300 0.008 0.000 1.137 114 M CB -0.815 31.789 32.600 0.008 0.000 1.378 114 M HN -0.218 nan 8.290 nan 0.000 0.426 115 D N -0.237 120.166 120.400 0.006 0.000 2.097 115 D HA -0.106 4.534 4.640 -0.000 0.000 0.197 115 D C 2.077 178.380 176.300 0.005 0.000 0.984 115 D CA 1.286 55.289 54.000 0.005 0.000 0.826 115 D CB -0.300 40.503 40.800 0.004 0.000 0.973 115 D HN 0.314 nan 8.370 nan 0.000 0.460 116 L N 0.837 122.064 121.223 0.006 0.000 2.042 116 L HA -0.197 4.143 4.340 -0.000 0.000 0.210 116 L C 2.547 179.421 176.870 0.007 0.000 1.076 116 L CA 1.248 56.092 54.840 0.007 0.000 0.749 116 L CB -0.307 41.757 42.059 0.008 0.000 0.893 116 L HN 0.000 nan 8.230 nan 0.000 0.432 117 K N 0.147 120.552 120.400 0.008 0.000 2.057 117 K HA -0.223 4.097 4.320 -0.000 0.000 0.207 117 K C 2.322 178.926 176.600 0.006 0.000 1.049 117 K CA 1.312 57.604 56.287 0.008 0.000 0.931 117 K CB -0.019 32.487 32.500 0.010 0.000 0.714 117 K HN 0.094 nan 8.250 nan 0.000 0.440 118 R N -0.193 120.310 120.500 0.005 0.000 2.080 118 R HA -0.134 4.206 4.340 -0.000 0.000 0.236 118 R C 2.379 178.680 176.300 0.003 0.000 1.137 118 R CA 1.815 57.917 56.100 0.003 0.000 0.943 118 R CB -0.721 29.581 30.300 0.003 0.000 0.846 118 R HN 0.446 nan 8.270 nan 0.000 0.431 119 G N 0.965 109.767 108.800 0.003 0.000 2.514 119 G HA2 -0.308 3.651 3.960 -0.000 0.000 0.217 119 G HA3 -0.308 3.651 3.960 -0.000 0.000 0.217 119 G C 1.417 176.319 174.900 0.004 0.000 1.198 119 G CA 1.281 46.383 45.100 0.004 0.000 0.780 119 G HN 0.271 nan 8.290 nan 0.000 0.565 120 I N 1.207 121.780 120.570 0.005 0.000 2.113 120 I HA -0.237 3.933 4.170 -0.000 0.000 0.242 120 I C 2.392 178.511 176.117 0.003 0.000 1.064 120 I CA 1.808 63.112 61.300 0.005 0.000 1.320 120 I CB -0.165 37.840 38.000 0.008 0.000 1.028 120 I HN 0.105 nan 8.210 nan 0.000 0.406 121 D N 0.223 120.624 120.400 0.001 0.000 2.144 121 D HA -0.200 4.440 4.640 -0.000 0.000 0.199 121 D C 2.079 178.377 176.300 -0.004 0.000 0.984 121 D CA 1.080 55.078 54.000 -0.003 0.000 0.834 121 D CB -0.216 40.582 40.800 -0.004 0.000 0.955 121 D HN 0.338 nan 8.370 nan 0.000 0.465 122 K N 0.767 121.166 120.400 -0.001 0.000 2.026 122 K HA -0.076 4.243 4.320 -0.000 0.000 0.208 122 K C 2.047 178.647 176.600 -0.000 0.000 1.048 122 K CA 1.222 57.508 56.287 -0.001 0.000 0.929 122 K CB -0.017 32.484 32.500 0.000 0.000 0.713 122 K HN 0.004 nan 8.250 nan 0.000 0.439 123 A N 0.504 123.325 122.820 0.001 0.000 1.902 123 A HA -0.116 4.204 4.320 -0.000 0.000 0.217 123 A C 2.221 179.806 177.584 0.002 0.000 1.181 123 A CA 1.676 53.715 52.037 0.003 0.000 0.623 123 A CB -0.641 18.362 19.000 0.005 0.000 0.818 123 A HN 0.177 nan 8.150 nan 0.000 0.443 124 V N -0.442 119.471 119.914 -0.001 0.000 2.343 124 V HA -0.221 3.899 4.120 -0.000 0.000 0.247 124 V C 2.731 178.821 176.094 -0.007 0.000 1.051 124 V CA 2.443 64.741 62.300 -0.004 0.000 1.036 124 V CB -1.279 30.539 31.823 -0.008 0.000 0.654 124 V HN 0.596 nan 8.190 nan 0.000 0.451 125 T N 0.419 114.968 114.554 -0.008 0.000 2.684 125 T HA -0.206 4.144 4.350 -0.000 0.000 0.267 125 T C 2.070 176.768 174.700 -0.004 0.000 1.036 125 T CA 1.816 63.910 62.100 -0.009 0.000 1.148 125 T CB -0.450 68.413 68.868 -0.008 0.000 0.863 125 T HN 0.582 nan 8.240 nan 0.000 0.436 126 A N 1.461 124.280 122.820 -0.001 0.000 1.858 126 A HA 0.111 4.431 4.320 -0.000 0.000 0.216 126 A C 2.664 180.250 177.584 0.003 0.000 1.190 126 A CA 2.004 54.041 52.037 0.002 0.000 0.617 126 A CB -1.233 17.768 19.000 0.003 0.000 0.827 126 A HN 0.516 nan 8.150 nan 0.000 0.443 127 A N -0.648 122.175 122.820 0.004 0.000 1.933 127 A HA -0.017 4.303 4.320 -0.000 0.000 0.218 127 A C 2.198 179.785 177.584 0.005 0.000 1.175 127 A CA 1.806 53.847 52.037 0.006 0.000 0.628 127 A CB -0.959 18.046 19.000 0.008 0.000 0.814 127 A HN 0.435 nan 8.150 nan 0.000 0.444 128 V N -0.130 119.785 119.914 0.000 0.000 2.490 128 V HA -0.225 3.895 4.120 -0.000 0.000 0.250 128 V C 2.582 178.677 176.094 0.002 0.000 1.061 128 V CA 2.306 64.605 62.300 -0.001 0.000 1.064 128 V CB -0.712 31.105 31.823 -0.010 0.000 0.670 128 V HN 0.517 nan 8.190 nan 0.000 0.461 129 E N 0.208 120.409 120.200 0.002 0.000 2.015 129 E HA -0.158 4.192 4.350 -0.000 0.000 0.191 129 E C 2.344 178.948 176.600 0.007 0.000 0.991 129 E CA 1.088 57.491 56.400 0.004 0.000 0.802 129 E CB -0.357 29.345 29.700 0.003 0.000 0.759 129 E HN 0.509 nan 8.360 nan 0.000 0.447 130 E N 0.055 120.260 120.200 0.008 0.000 2.130 130 E HA -0.209 4.141 4.350 -0.000 0.000 0.196 130 E C 2.134 178.742 176.600 0.014 0.000 0.998 130 E CA 0.652 57.059 56.400 0.012 0.000 0.806 130 E CB -0.250 29.458 29.700 0.013 0.000 0.738 130 E HN 0.155 nan 8.360 nan 0.000 0.459 131 L N 1.413 122.644 121.223 0.013 0.000 2.017 131 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 131 L C 2.197 179.075 176.870 0.014 0.000 1.073 131 L CA 1.685 56.534 54.840 0.015 0.000 0.745 131 L CB -0.269 41.798 42.059 0.013 0.000 0.894 131 L HN -0.024 nan 8.230 nan 0.000 0.432 132 K N -1.072 119.335 120.400 0.011 0.000 2.209 132 K HA -0.115 4.205 4.320 -0.000 0.000 0.204 132 K C 1.984 178.592 176.600 0.012 0.000 1.048 132 K CA 1.130 57.424 56.287 0.011 0.000 0.940 132 K CB -0.217 32.288 32.500 0.008 0.000 0.729 132 K HN 0.387 nan 8.250 nan 0.000 0.451 133 A N 1.287 124.115 122.820 0.013 0.000 1.874 133 A HA -0.091 4.229 4.320 -0.000 0.000 0.214 133 A C 2.022 179.615 177.584 0.016 0.000 1.189 133 A CA 0.777 52.822 52.037 0.013 0.000 0.615 133 A CB -0.352 18.655 19.000 0.012 0.000 0.830 133 A HN 0.224 nan 8.150 nan 0.000 0.443 134 L N 0.238 121.472 121.223 0.019 0.000 2.291 134 L HA 0.105 4.445 4.340 -0.000 0.000 0.214 134 L C 1.344 178.228 176.870 0.023 0.000 1.120 134 L CA 1.115 55.969 54.840 0.023 0.000 0.799 134 L CB -0.598 41.477 42.059 0.027 0.000 0.925 134 L HN 0.273 nan 8.230 nan 0.000 0.446 135 S N -0.535 115.177 115.700 0.020 0.000 2.549 135 S HA 0.188 4.658 4.470 -0.000 0.000 0.286 135 S C -0.137 174.474 174.600 0.018 0.000 1.314 135 S CA -0.539 57.673 58.200 0.019 0.000 1.062 135 S CB 0.258 63.468 63.200 0.017 0.000 0.865 135 S HN 0.079 nan 8.310 nan 0.000 0.498 136 V N 8.487 128.412 119.914 0.019 0.000 2.370 136 V HA 0.374 4.494 4.120 -0.000 0.000 0.283 136 V C -1.992 174.111 176.094 0.016 0.000 1.023 136 V CA -1.850 60.461 62.300 0.017 0.000 0.857 136 V CB 1.119 32.953 31.823 0.019 0.000 0.985 136 V HN 0.795 nan 8.190 nan 0.000 0.443 137 P HA 0.054 nan 4.420 nan 0.000 0.267 137 P C -0.507 176.801 177.300 0.013 0.000 1.201 137 P CA -0.071 63.036 63.100 0.013 0.000 0.775 137 P CB 0.365 32.072 31.700 0.011 0.000 0.854 138 C N 2.270 121.577 119.300 0.012 0.000 3.123 138 C HA 0.507 4.967 4.460 -0.000 0.000 0.284 138 C C 1.197 176.194 174.990 0.010 0.000 1.076 138 C CA 0.236 59.261 59.018 0.012 0.000 1.416 138 C CB -1.009 26.739 27.740 0.013 0.000 1.841 138 C HN 0.633 nan 8.230 nan 0.000 0.501 139 S N 2.345 118.051 115.700 0.009 0.000 2.931 139 S HA 0.190 4.659 4.470 -0.000 0.000 0.251 139 S C 0.418 175.022 174.600 0.006 0.000 1.078 139 S CA 0.526 58.731 58.200 0.008 0.000 0.835 139 S CB -0.079 63.125 63.200 0.008 0.000 0.798 139 S HN 0.928 nan 8.310 nan 0.000 0.495 140 D N 0.886 121.289 120.400 0.006 0.000 2.348 140 D HA 0.326 4.966 4.640 -0.000 0.000 0.249 140 D C 0.866 177.168 176.300 0.004 0.000 1.110 140 D CA -0.183 53.820 54.000 0.005 0.000 0.967 140 D CB 1.011 41.814 40.800 0.005 0.000 1.139 140 D HN 0.080 nan 8.370 nan 0.000 0.466 141 S N -0.117 115.584 115.700 0.003 0.000 2.387 141 S HA -0.218 4.252 4.470 -0.000 0.000 0.230 141 S C 1.604 176.206 174.600 0.003 0.000 1.035 141 S CA 1.515 59.717 58.200 0.002 0.000 1.014 141 S CB -0.299 62.902 63.200 0.001 0.000 0.836 141 S HN 0.614 nan 8.310 nan 0.000 0.466 142 K N 0.785 121.187 120.400 0.003 0.000 2.063 142 K HA -0.091 4.229 4.320 -0.000 0.000 0.208 142 K C 2.064 178.667 176.600 0.005 0.000 1.048 142 K CA 1.363 57.652 56.287 0.004 0.000 0.928 142 K CB -0.307 32.195 32.500 0.004 0.000 0.713 142 K HN 0.330 nan 8.250 nan 0.000 0.442 143 A N 0.724 123.547 122.820 0.006 0.000 1.970 143 A HA -0.043 4.277 4.320 -0.000 0.000 0.216 143 A C 1.907 179.495 177.584 0.007 0.000 1.170 143 A CA 0.726 52.768 52.037 0.007 0.000 0.645 143 A CB -0.314 18.691 19.000 0.008 0.000 0.816 143 A HN 0.213 nan 8.150 nan 0.000 0.447 144 I N 0.480 121.054 120.570 0.006 0.000 2.099 144 I HA -0.257 3.913 4.170 -0.000 0.000 0.239 144 I C 2.987 179.107 176.117 0.005 0.000 1.066 144 I CA 1.481 62.785 61.300 0.006 0.000 1.324 144 I CB -1.701 36.301 38.000 0.004 0.000 1.037 144 I HN 0.344 nan 8.210 nan 0.000 0.401 145 A N -0.084 122.738 122.820 0.004 0.000 1.917 145 A HA -0.310 4.010 4.320 -0.000 0.000 0.219 145 A C 2.362 179.948 177.584 0.004 0.000 1.182 145 A CA 2.216 54.255 52.037 0.003 0.000 0.633 145 A CB -0.872 18.129 19.000 0.002 0.000 0.819 145 A HN 0.598 nan 8.150 nan 0.000 0.448 146 Q N -0.803 119.000 119.800 0.004 0.000 2.020 146 Q HA -0.137 4.203 4.340 -0.000 0.000 0.202 146 Q C 2.033 178.036 176.000 0.005 0.000 0.982 146 Q CA 2.007 57.813 55.803 0.005 0.000 0.838 146 Q CB -0.276 28.465 28.738 0.006 0.000 0.899 146 Q HN 0.383 nan 8.270 nan 0.000 0.423 147 V N 0.203 120.121 119.914 0.007 0.000 2.515 147 V HA -0.169 3.950 4.120 -0.000 0.000 0.250 147 V C 2.062 178.162 176.094 0.010 0.000 1.058 147 V CA 1.905 64.210 62.300 0.009 0.000 1.064 147 V CB -0.695 31.135 31.823 0.012 0.000 0.675 147 V HN 0.651 nan 8.190 nan 0.000 0.461 148 G N -0.207 108.599 108.800 0.009 0.000 2.433 148 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.216 148 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.216 148 G C 1.766 176.670 174.900 0.006 0.000 1.186 148 G CA 1.740 46.845 45.100 0.008 0.000 0.779 148 G HN 0.571 nan 8.290 nan 0.000 0.543 149 T N -0.249 114.308 114.554 0.004 0.000 2.788 149 T HA -0.017 4.333 4.350 -0.000 0.000 0.268 149 T C 2.413 177.113 174.700 0.001 0.000 1.044 149 T CA 1.201 63.302 62.100 0.002 0.000 1.139 149 T CB -0.278 68.591 68.868 0.000 0.000 0.867 149 T HN 0.195 nan 8.240 nan 0.000 0.454 150 I N 1.390 121.961 120.570 0.001 0.000 2.226 150 I HA -0.142 4.027 4.170 -0.000 0.000 0.245 150 I C 3.041 179.158 176.117 -0.000 0.000 1.100 150 I CA 1.377 62.676 61.300 -0.001 0.000 1.374 150 I CB -0.366 37.634 38.000 -0.000 0.000 1.057 150 I HN 0.311 nan 8.210 nan 0.000 0.413 151 S N 0.146 115.849 115.700 0.005 0.000 2.406 151 S HA 0.005 4.475 4.470 -0.000 0.000 0.228 151 S C 1.855 176.459 174.600 0.007 0.000 1.020 151 S CA 1.020 59.225 58.200 0.008 0.000 0.965 151 S CB -0.133 63.076 63.200 0.016 0.000 0.798 151 S HN 0.439 nan 8.310 nan 0.000 0.488 152 A N 1.475 124.299 122.820 0.006 0.000 2.327 152 A HA 0.302 4.622 4.320 -0.000 0.000 0.228 152 A C 0.516 178.100 177.584 -0.000 0.000 1.275 152 A CA 0.012 52.052 52.037 0.005 0.000 0.875 152 A CB -0.944 18.059 19.000 0.005 0.000 0.925 152 A HN 0.760 nan 8.150 nan 0.000 0.493 153 N N 0.221 118.920 118.700 -0.003 0.000 2.573 153 N HA -0.192 4.548 4.740 -0.000 0.000 0.275 153 N C -0.125 175.381 175.510 -0.007 0.000 1.208 153 N CA 0.465 53.511 53.050 -0.007 0.000 0.688 153 N CB -1.056 37.426 38.487 -0.007 0.000 0.882 153 N HN 0.399 nan 8.380 nan 0.000 0.548 154 S N 0.396 116.092 115.700 -0.007 0.000 3.549 154 S HA -0.213 4.257 4.470 -0.000 0.000 0.366 154 S C -0.372 174.225 174.600 -0.005 0.000 1.012 154 S CA 1.184 59.380 58.200 -0.007 0.000 1.141 154 S CB -0.641 62.553 63.200 -0.010 0.000 0.910 154 S HN 0.706 nan 8.310 nan 0.000 0.471 155 D N 0.578 120.975 120.400 -0.004 0.000 2.479 155 D HA 0.296 4.936 4.640 -0.000 0.000 0.247 155 D C 1.007 177.306 176.300 -0.002 0.000 1.119 155 D CA -0.490 53.508 54.000 -0.003 0.000 0.922 155 D CB 0.495 41.293 40.800 -0.002 0.000 1.014 155 D HN 0.401 nan 8.370 nan 0.000 0.510 156 E N 0.373 120.571 120.200 -0.002 0.000 2.147 156 E HA -0.230 4.120 4.350 -0.000 0.000 0.199 156 E C 1.786 178.385 176.600 -0.002 0.000 1.005 156 E CA 1.789 58.188 56.400 -0.002 0.000 0.810 156 E CB 0.260 29.959 29.700 -0.002 0.000 0.736 156 E HN 0.576 nan 8.360 nan 0.000 0.460 157 T N -1.658 112.894 114.554 -0.002 0.000 2.915 157 T HA -0.092 4.258 4.350 -0.000 0.000 0.269 157 T C 1.939 176.638 174.700 -0.002 0.000 1.071 157 T CA 1.086 63.184 62.100 -0.002 0.000 1.132 157 T CB -0.253 68.613 68.868 -0.003 0.000 0.878 157 T HN -0.035 nan 8.240 nan 0.000 0.479 158 V N 1.794 121.707 119.914 -0.002 0.000 2.283 158 V HA 0.105 4.225 4.120 -0.000 0.000 0.243 158 V C 3.169 179.263 176.094 -0.001 0.000 1.039 158 V CA 1.705 64.005 62.300 -0.001 0.000 1.016 158 V CB -1.522 30.301 31.823 0.000 0.000 0.650 158 V HN 0.634 nan 8.190 nan 0.000 0.449 159 G N -0.369 108.431 108.800 0.000 0.000 2.469 159 G HA2 -0.350 3.609 3.960 -0.000 0.000 0.219 159 G HA3 -0.350 3.609 3.960 -0.000 0.000 0.219 159 G C 1.641 176.541 174.900 -0.001 0.000 1.150 159 G CA 1.281 46.381 45.100 0.001 0.000 0.763 159 G HN 0.455 nan 8.290 nan 0.000 0.561 160 K N -0.610 119.789 120.400 -0.001 0.000 2.059 160 K HA -0.140 4.180 4.320 -0.000 0.000 0.212 160 K C 2.484 179.083 176.600 -0.003 0.000 1.050 160 K CA 1.337 57.623 56.287 -0.002 0.000 0.927 160 K CB -0.239 32.259 32.500 -0.002 0.000 0.714 160 K HN 0.238 nan 8.250 nan 0.000 0.447 161 L N 1.020 122.240 121.223 -0.004 0.000 2.027 161 L HA -0.111 4.229 4.340 -0.000 0.000 0.206 161 L C 2.196 179.061 176.870 -0.007 0.000 1.074 161 L CA 1.396 56.233 54.840 -0.006 0.000 0.745 161 L CB -0.491 41.564 42.059 -0.006 0.000 0.898 161 L HN 0.225 nan 8.230 nan 0.000 0.433 162 I N -0.837 119.730 120.570 -0.006 0.000 2.163 162 I HA -0.342 3.827 4.170 -0.000 0.000 0.243 162 I C 2.541 178.654 176.117 -0.006 0.000 1.085 162 I CA 1.358 62.654 61.300 -0.007 0.000 1.347 162 I CB -0.457 37.540 38.000 -0.004 0.000 1.044 162 I HN 0.237 nan 8.210 nan 0.000 0.408 163 A N -0.045 122.773 122.820 -0.004 0.000 1.933 163 A HA -0.243 4.077 4.320 -0.000 0.000 0.218 163 A C 2.213 179.794 177.584 -0.004 0.000 1.175 163 A CA 1.747 53.782 52.037 -0.003 0.000 0.628 163 A CB -0.582 18.418 19.000 -0.001 0.000 0.814 163 A HN 0.456 nan 8.150 nan 0.000 0.444 164 E N -0.581 119.616 120.200 -0.005 0.000 2.150 164 E HA -0.048 4.302 4.350 -0.000 0.000 0.193 164 E C 2.245 178.841 176.600 -0.007 0.000 0.985 164 E CA 0.741 57.137 56.400 -0.006 0.000 0.814 164 E CB -0.180 29.517 29.700 -0.006 0.000 0.752 164 E HN 0.643 nan 8.360 nan 0.000 0.466 165 A N 0.764 123.578 122.820 -0.009 0.000 1.872 165 A HA -0.125 4.195 4.320 -0.000 0.000 0.214 165 A C 2.096 179.674 177.584 -0.011 0.000 1.187 165 A CA 1.012 53.042 52.037 -0.012 0.000 0.614 165 A CB -0.307 18.684 19.000 -0.015 0.000 0.826 165 A HN 0.126 nan 8.150 nan 0.000 0.442 166 M N -0.866 118.729 119.600 -0.010 0.000 2.296 166 M HA -0.125 4.355 4.480 -0.000 0.000 0.265 166 M C 1.592 177.888 176.300 -0.006 0.000 1.064 166 M CA 1.578 56.873 55.300 -0.008 0.000 1.109 166 M CB -0.484 32.112 32.600 -0.006 0.000 1.396 166 M HN 0.364 nan 8.290 nan 0.000 0.430 167 D N 0.666 121.063 120.400 -0.005 0.000 2.218 167 D HA -0.110 4.530 4.640 -0.000 0.000 0.204 167 D C 1.974 178.271 176.300 -0.005 0.000 0.976 167 D CA 1.128 55.125 54.000 -0.004 0.000 0.853 167 D CB 0.266 41.063 40.800 -0.004 0.000 0.939 167 D HN 0.204 nan 8.370 nan 0.000 0.481 168 K N -0.899 119.497 120.400 -0.006 0.000 2.214 168 K HA 0.125 4.445 4.320 -0.000 0.000 0.201 168 K C 1.240 177.836 176.600 -0.007 0.000 1.049 168 K CA 0.193 56.476 56.287 -0.007 0.000 0.978 168 K CB 0.663 33.159 32.500 -0.008 0.000 0.842 168 K HN -0.012 nan 8.250 nan 0.000 0.474 169 V N 0.622 120.531 119.914 -0.008 0.000 3.578 169 V HA 0.227 4.347 4.120 -0.000 0.000 0.290 169 V C -0.124 175.965 176.094 -0.007 0.000 1.376 169 V CA 0.664 62.959 62.300 -0.009 0.000 1.083 169 V CB 0.139 31.955 31.823 -0.011 0.000 0.911 169 V HN 0.562 nan 8.190 nan 0.000 0.433 170 G N 0.670 109.466 108.800 -0.006 0.000 2.712 170 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.686 170 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.686 170 G C 0.149 175.046 174.900 -0.005 0.000 1.321 170 G CA 0.070 45.167 45.100 -0.005 0.000 0.813 170 G HN 0.299 nan 8.290 nan 0.000 0.599 171 K N 0.040 120.438 120.400 -0.003 0.000 2.209 171 K HA -0.064 4.256 4.320 -0.000 0.000 0.204 171 K C 2.125 178.723 176.600 -0.004 0.000 1.048 171 K CA 1.785 58.070 56.287 -0.003 0.000 0.940 171 K CB 0.039 32.540 32.500 0.001 0.000 0.729 171 K HN 0.431 nan 8.250 nan 0.000 0.451 172 E N 0.301 120.500 120.200 -0.003 0.000 2.250 172 E HA 0.033 4.383 4.350 -0.000 0.000 0.192 172 E C 0.723 177.319 176.600 -0.007 0.000 0.986 172 E CA 0.183 56.581 56.400 -0.003 0.000 0.849 172 E CB -0.068 29.633 29.700 0.001 0.000 0.797 172 E HN 0.300 nan 8.360 nan 0.000 0.482 173 G N 0.258 109.053 108.800 -0.009 0.000 2.647 173 G HA2 0.134 4.094 3.960 -0.000 0.000 0.234 173 G HA3 0.134 4.094 3.960 -0.000 0.000 0.234 173 G C -0.138 174.750 174.900 -0.020 0.000 1.252 173 G CA -0.387 44.706 45.100 -0.012 0.000 0.846 173 G HN 0.034 nan 8.290 nan 0.000 0.589 174 V N 1.429 121.330 119.914 -0.022 0.000 2.488 174 V HA 0.329 4.449 4.120 -0.000 0.000 0.277 174 V C 0.276 176.347 176.094 -0.038 0.000 1.046 174 V CA -0.047 62.233 62.300 -0.034 0.000 0.986 174 V CB 0.643 32.444 31.823 -0.036 0.000 0.989 174 V HN 0.474 nan 8.190 nan 0.000 0.475 175 I N 4.788 125.329 120.570 -0.049 0.000 2.447 175 I HA 0.555 4.725 4.170 -0.000 0.000 0.287 175 I C 0.362 176.443 176.117 -0.059 0.000 1.023 175 I CA -0.075 61.196 61.300 -0.048 0.000 1.083 175 I CB 2.206 40.179 38.000 -0.045 0.000 1.245 175 I HN 0.792 nan 8.210 nan 0.000 0.434 176 T N 2.407 116.931 114.554 -0.049 0.000 2.927 176 T HA 0.838 5.188 4.350 -0.000 0.000 0.286 176 T C -0.595 174.083 174.700 -0.038 0.000 1.040 176 T CA -0.878 61.193 62.100 -0.049 0.000 1.010 176 T CB 2.018 70.858 68.868 -0.046 0.000 1.177 176 T HN 0.174 nan 8.240 nan 0.000 0.546 177 V N 1.172 121.067 119.914 -0.033 0.000 2.443 177 V HA 0.481 4.601 4.120 -0.000 0.000 0.293 177 V C -0.200 175.882 176.094 -0.019 0.000 1.021 177 V CA -0.772 61.514 62.300 -0.023 0.000 0.848 177 V CB 1.246 33.057 31.823 -0.019 0.000 0.998 177 V HN 0.950 nan 8.190 nan 0.000 0.424 178 E N 1.790 121.980 120.200 -0.017 0.000 2.239 178 E HA 0.415 4.765 4.350 -0.000 0.000 0.261 178 E C -1.187 175.406 176.600 -0.012 0.000 1.016 178 E CA -0.938 55.453 56.400 -0.015 0.000 0.882 178 E CB 1.378 31.068 29.700 -0.017 0.000 1.190 178 E HN 0.657 nan 8.360 nan 0.000 0.415 179 D N 0.366 120.760 120.400 -0.011 0.000 2.351 179 D HA 0.229 4.869 4.640 -0.000 0.000 0.251 179 D C -0.095 176.199 176.300 -0.010 0.000 1.137 179 D CA 0.239 54.234 54.000 -0.009 0.000 0.879 179 D CB 1.001 41.796 40.800 -0.008 0.000 1.181 179 D HN 0.417 nan 8.370 nan 0.000 0.448 180 G N 0.357 109.152 108.800 -0.008 0.000 2.503 180 G HA2 0.310 4.270 3.960 -0.000 0.000 0.257 180 G HA3 0.310 4.270 3.960 -0.000 0.000 0.257 180 G C 1.066 175.961 174.900 -0.008 0.000 1.214 180 G CA -0.348 44.747 45.100 -0.008 0.000 0.839 180 G HN 0.511 nan 8.290 nan 0.000 0.559 181 T N -0.501 114.048 114.554 -0.008 0.000 3.010 181 T HA 0.297 4.647 4.350 -0.000 0.000 0.252 181 T C 1.367 176.063 174.700 -0.007 0.000 1.047 181 T CA 0.822 62.917 62.100 -0.008 0.000 1.140 181 T CB 0.120 68.983 68.868 -0.008 0.000 0.885 181 T HN 0.715 nan 8.240 nan 0.000 0.464 182 G N 0.868 109.664 108.800 -0.006 0.000 2.890 182 G HA2 0.528 4.488 3.960 -0.000 0.000 0.189 182 G HA3 0.528 4.488 3.960 -0.000 0.000 0.189 182 G C 0.359 175.256 174.900 -0.005 0.000 1.342 182 G CA -0.245 44.852 45.100 -0.006 0.000 1.026 182 G HN 0.251 nan 8.290 nan 0.000 0.579 183 L N -0.921 120.300 121.223 -0.005 0.000 2.375 183 L HA 0.307 4.647 4.340 -0.000 0.000 0.215 183 L C 0.942 177.809 176.870 -0.005 0.000 1.108 183 L CA 0.724 55.561 54.840 -0.005 0.000 0.830 183 L CB -0.357 41.699 42.059 -0.004 0.000 0.959 183 L HN 0.250 nan 8.230 nan 0.000 0.457 184 Q N 1.428 121.225 119.800 -0.005 0.000 2.293 184 Q HA 0.166 4.505 4.340 -0.000 0.000 0.251 184 Q C -0.804 175.192 176.000 -0.006 0.000 0.930 184 Q CA -0.230 55.570 55.803 -0.005 0.000 0.893 184 Q CB 0.780 29.515 28.738 -0.005 0.000 1.215 184 Q HN 0.296 nan 8.270 nan 0.000 0.425 185 D N 1.998 122.394 120.400 -0.006 0.000 2.350 185 D HA 0.173 4.813 4.640 -0.000 0.000 0.249 185 D C -0.238 176.058 176.300 -0.007 0.000 1.119 185 D CA 0.196 54.192 54.000 -0.006 0.000 0.886 185 D CB 1.133 41.929 40.800 -0.006 0.000 1.195 185 D HN 0.344 nan 8.370 nan 0.000 0.437 186 E N 0.658 120.853 120.200 -0.008 0.000 2.244 186 E HA 0.586 4.936 4.350 -0.000 0.000 0.266 186 E C -0.771 175.823 176.600 -0.010 0.000 0.914 186 E CA -0.877 55.518 56.400 -0.009 0.000 0.794 186 E CB 2.533 32.227 29.700 -0.009 0.000 1.210 186 E HN 0.176 nan 8.360 nan 0.000 0.414 187 L N 2.703 123.920 121.223 -0.010 0.000 2.471 187 L HA 0.361 4.701 4.340 -0.000 0.000 0.263 187 L C -1.613 175.251 176.870 -0.011 0.000 0.985 187 L CA -0.437 54.397 54.840 -0.011 0.000 0.868 187 L CB 0.774 42.827 42.059 -0.010 0.000 1.203 187 L HN 0.483 nan 8.230 nan 0.000 0.429 188 D N 3.713 124.105 120.400 -0.012 0.000 2.228 188 D HA 0.489 5.129 4.640 -0.000 0.000 0.247 188 D C -0.477 175.815 176.300 -0.013 0.000 0.995 188 D CA -0.232 53.761 54.000 -0.012 0.000 0.903 188 D CB 2.822 43.614 40.800 -0.013 0.000 1.205 188 D HN 0.267 nan 8.370 nan 0.000 0.459 189 V N -0.868 119.039 119.914 -0.012 0.000 2.459 189 V HA 0.744 4.864 4.120 -0.000 0.000 0.295 189 V C -0.085 176.002 176.094 -0.012 0.000 1.029 189 V CA -0.716 61.576 62.300 -0.012 0.000 0.874 189 V CB 1.575 33.392 31.823 -0.010 0.000 0.985 189 V HN 0.312 nan 8.190 nan 0.000 0.438 190 V N 2.467 122.373 119.914 -0.013 0.000 3.049 190 V HA 0.511 4.631 4.120 -0.000 0.000 0.309 190 V C -0.481 175.607 176.094 -0.011 0.000 1.148 190 V CA -0.547 61.745 62.300 -0.012 0.000 0.990 190 V CB 2.427 34.241 31.823 -0.015 0.000 1.039 190 V HN 1.040 nan 8.190 nan 0.000 0.430 191 E N 3.537 123.732 120.200 -0.009 0.000 2.383 191 E HA 0.439 4.789 4.350 -0.000 0.000 0.257 191 E C 0.200 176.798 176.600 -0.004 0.000 1.079 191 E CA 0.630 57.027 56.400 -0.005 0.000 0.934 191 E CB 0.729 30.427 29.700 -0.004 0.000 0.978 191 E HN 0.953 nan 8.360 nan 0.000 0.462 192 G N 1.697 110.496 108.800 -0.000 0.000 2.606 192 G HA2 0.635 4.595 3.960 -0.000 0.000 0.300 192 G HA3 0.635 4.595 3.960 -0.000 0.000 0.300 192 G C -1.220 173.687 174.900 0.012 0.000 1.360 192 G CA -0.657 44.444 45.100 0.002 0.000 0.783 192 G HN 0.379 nan 8.290 nan 0.000 0.484 193 M N -0.103 119.506 119.600 0.015 0.000 2.534 193 M HA 0.554 5.034 4.480 -0.000 0.000 0.280 193 M C -2.287 174.013 176.300 -0.001 0.000 1.217 193 M CA -0.645 54.678 55.300 0.039 0.000 0.893 193 M CB 2.507 35.167 32.600 0.100 0.000 1.730 193 M HN 0.714 nan 8.290 nan 0.000 0.483 194 Q N 3.540 123.342 119.800 0.004 0.000 2.305 194 Q HA 0.659 4.999 4.340 -0.000 0.000 0.271 194 Q C -2.225 173.778 176.000 0.006 0.000 1.046 194 Q CA -0.634 55.108 55.803 -0.102 0.000 0.798 194 Q CB 2.038 30.717 28.738 -0.098 0.000 1.286 194 Q HN 0.586 nan 8.270 nan 0.000 0.435 195 F N -0.106 119.843 119.950 -0.002 0.000 2.603 195 F HA 0.514 5.041 4.527 -0.000 0.000 0.317 195 F C -0.446 175.355 175.800 0.002 0.000 1.066 195 F CA -1.251 56.751 58.000 0.002 0.000 0.941 195 F CB 1.151 40.154 39.000 0.005 0.000 1.291 195 F HN 0.326 nan 8.300 nan 0.000 0.472 196 D N 2.360 122.920 120.400 0.267 0.000 2.671 196 D HA 0.170 4.809 4.640 -0.000 0.000 0.228 196 D C -0.469 175.939 176.300 0.180 0.000 1.102 196 D CA 0.452 54.540 54.000 0.147 0.000 1.044 196 D CB -0.063 40.800 40.800 0.106 0.000 1.113 196 D HN 0.404 nan 8.370 nan 0.000 0.480 197 R N -0.441 120.173 120.500 0.189 0.000 2.564 197 R HA 0.515 4.855 4.340 -0.000 0.000 0.284 197 R C 0.044 176.368 176.300 0.040 0.000 1.031 197 R CA -0.554 55.651 56.100 0.174 0.000 0.904 197 R CB 1.935 32.458 30.300 0.372 0.000 1.199 197 R HN 0.186 nan 8.270 nan 0.000 0.443 198 G N 1.434 110.216 108.800 -0.031 0.000 2.488 198 G HA2 0.330 4.290 3.960 -0.000 0.000 0.318 198 G HA3 0.330 4.290 3.960 -0.000 0.000 0.318 198 G C -0.836 174.012 174.900 -0.088 0.000 1.188 198 G CA -0.565 44.426 45.100 -0.181 0.000 0.944 198 G HN 0.539 nan 8.290 nan 0.000 0.495 199 Y N -1.141 119.229 120.300 0.115 0.000 2.652 199 Y HA 0.293 4.843 4.550 -0.000 0.000 0.344 199 Y C 0.984 177.016 175.900 0.219 0.000 1.254 199 Y CA -1.148 57.061 58.100 0.182 0.000 1.480 199 Y CB 0.273 38.893 38.460 0.267 0.000 1.345 199 Y HN 0.140 nan 8.280 nan 0.000 0.617 200 L N 1.421 122.972 121.223 0.546 0.000 2.591 200 L HA 0.249 4.589 4.340 -0.000 0.000 0.228 200 L C 0.299 177.422 176.870 0.421 0.000 1.133 200 L CA 0.712 55.806 54.840 0.423 0.000 0.880 200 L CB -0.599 41.662 42.059 0.337 0.000 1.033 200 L HN 0.774 nan 8.230 nan 0.000 0.450 201 S N -1.908 114.091 115.700 0.498 0.000 2.570 201 S HA 0.342 4.812 4.470 -0.000 0.000 0.286 201 S C -2.434 172.100 174.600 -0.109 0.000 1.143 201 S CA -0.662 57.596 58.200 0.096 0.000 0.921 201 S CB 1.362 64.356 63.200 -0.344 0.000 1.108 201 S HN -0.192 nan 8.310 nan 0.000 0.456 202 P HA 0.007 nan 4.420 nan 0.000 0.234 202 P C 0.176 177.269 177.300 -0.344 0.000 1.162 202 P CA 0.797 63.662 63.100 -0.392 0.000 0.759 202 P CB -0.160 31.488 31.700 -0.086 0.000 0.813 203 Y N -3.063 116.952 120.300 -0.475 0.000 2.490 203 Y HA 0.125 4.675 4.550 -0.000 0.000 0.281 203 Y C 1.482 177.135 175.900 -0.410 0.000 1.174 203 Y CA 0.257 58.103 58.100 -0.423 0.000 1.295 203 Y CB -0.787 37.416 38.460 -0.428 0.000 1.062 203 Y HN -0.059 nan 8.280 nan 0.000 0.522 204 F N -0.584 119.331 119.950 -0.059 0.000 2.664 204 F HA 0.145 4.672 4.527 -0.000 0.000 0.296 204 F C 0.938 176.678 175.800 -0.100 0.000 1.125 204 F CA -0.699 57.267 58.000 -0.057 0.000 1.444 204 F CB -0.526 38.455 39.000 -0.032 0.000 1.114 204 F HN -0.195 nan 8.300 nan 0.000 0.576 205 I N 3.331 123.869 120.570 -0.053 0.000 2.845 205 I HA -0.174 3.996 4.170 -0.000 0.000 0.290 205 I C 1.276 177.374 176.117 -0.032 0.000 1.202 205 I CA 0.375 61.630 61.300 -0.075 0.000 1.406 205 I CB 0.249 38.150 38.000 -0.164 0.000 1.383 205 I HN 0.289 nan 8.210 nan 0.000 0.549 206 N N 6.263 124.964 118.700 0.001 0.000 2.294 206 N HA 0.001 4.741 4.740 -0.000 0.000 0.186 206 N C -0.003 175.502 175.510 -0.009 0.000 1.107 206 N CA 0.017 53.066 53.050 -0.000 0.000 0.884 206 N CB 0.541 39.039 38.487 0.019 0.000 1.030 206 N HN 0.404 nan 8.380 nan 0.000 0.482 207 K N 2.356 122.753 120.400 -0.005 0.000 2.357 207 K HA 0.276 4.596 4.320 -0.000 0.000 0.251 207 K C -1.791 174.801 176.600 -0.013 0.000 1.069 207 K CA -1.643 54.641 56.287 -0.005 0.000 0.994 207 K CB 2.189 34.693 32.500 0.006 0.000 1.411 207 K HN 0.039 nan 8.250 nan 0.000 0.450 208 P HA -0.170 nan 4.420 nan 0.000 0.218 208 P C 0.756 178.045 177.300 -0.019 0.000 1.149 208 P CA 1.153 64.233 63.100 -0.035 0.000 0.817 208 P CB 0.554 32.227 31.700 -0.043 0.000 0.785 209 E N 0.244 120.438 120.200 -0.010 0.000 2.005 209 E HA -0.116 4.234 4.350 -0.000 0.000 0.198 209 E C 2.034 178.639 176.600 0.008 0.000 1.010 209 E CA 1.787 58.185 56.400 -0.003 0.000 0.825 209 E CB -1.549 28.150 29.700 -0.001 0.000 0.769 209 E HN 0.281 nan 8.360 nan 0.000 0.456 210 T N -0.419 114.145 114.554 0.017 0.000 2.929 210 T HA 0.050 4.400 4.350 -0.000 0.000 0.271 210 T C 1.303 176.031 174.700 0.047 0.000 1.085 210 T CA 1.019 63.140 62.100 0.035 0.000 1.125 210 T CB -0.348 68.543 68.868 0.038 0.000 0.874 210 T HN 0.487 nan 8.240 nan 0.000 0.494 211 G N 1.313 110.135 108.800 0.035 0.000 2.272 211 G HA2 0.068 4.028 3.960 -0.000 0.000 0.280 211 G HA3 0.068 4.028 3.960 -0.000 0.000 0.280 211 G C 0.025 174.988 174.900 0.104 0.000 1.067 211 G CA 0.023 45.154 45.100 0.051 0.000 0.902 211 G HN 0.986 nan 8.290 nan 0.000 0.500 212 A N -1.542 121.324 122.820 0.077 0.000 2.483 212 A HA 0.948 5.268 4.320 -0.000 0.000 0.286 212 A C -0.464 177.165 177.584 0.076 0.000 1.207 212 A CA -0.247 51.857 52.037 0.112 0.000 0.764 212 A CB 1.925 20.976 19.000 0.084 0.000 1.341 212 A HN 1.288 nan 8.150 nan 0.000 0.428 213 V N 1.656 121.627 119.914 0.095 0.000 2.325 213 V HA 0.325 4.445 4.120 -0.000 0.000 0.280 213 V C -0.581 175.537 176.094 0.041 0.000 1.016 213 V CA -0.329 62.014 62.300 0.070 0.000 0.818 213 V CB 0.801 32.686 31.823 0.103 0.000 1.019 213 V HN 0.839 nan 8.190 nan 0.000 0.434 214 E N 5.310 125.526 120.200 0.026 0.000 2.174 214 E HA 0.653 5.003 4.350 -0.000 0.000 0.282 214 E C -1.137 175.468 176.600 0.008 0.000 0.992 214 E CA -0.492 55.914 56.400 0.010 0.000 0.803 214 E CB 2.171 31.875 29.700 0.006 0.000 1.090 214 E HN 0.509 nan 8.360 nan 0.000 0.396 215 L N 2.699 123.921 121.223 -0.001 0.000 2.385 215 L HA 0.357 4.697 4.340 -0.000 0.000 0.273 215 L C -0.083 176.779 176.870 -0.013 0.000 0.990 215 L CA -0.927 53.912 54.840 -0.002 0.000 0.821 215 L CB 1.862 43.921 42.059 -0.001 0.000 1.279 215 L HN 0.348 nan 8.230 nan 0.000 0.412 216 E N 1.765 121.958 120.200 -0.012 0.000 2.167 216 E HA 0.115 4.465 4.350 -0.000 0.000 0.284 216 E C 0.324 176.897 176.600 -0.045 0.000 1.016 216 E CA -0.132 56.253 56.400 -0.024 0.000 0.817 216 E CB 1.597 31.288 29.700 -0.016 0.000 1.080 216 E HN 0.691 nan 8.360 nan 0.000 0.397 217 S N 2.559 118.218 115.700 -0.068 0.000 3.243 217 S HA -0.149 4.321 4.470 -0.000 0.000 0.333 217 S C -2.340 172.148 174.600 -0.187 0.000 0.913 217 S CA -0.138 57.990 58.200 -0.120 0.000 1.310 217 S CB -1.523 61.603 63.200 -0.124 0.000 0.894 217 S HN 0.240 nan 8.310 nan 0.000 0.498 218 P HA 0.648 nan 4.420 nan 0.000 0.283 218 P C 0.019 177.208 177.300 -0.184 0.000 1.278 218 P CA -0.988 62.048 63.100 -0.107 0.000 0.834 218 P CB 0.367 32.068 31.700 0.002 0.000 1.150 219 F N -0.157 119.791 119.950 -0.003 0.000 2.382 219 F HA 0.405 4.932 4.527 -0.000 0.000 0.331 219 F C 0.786 176.586 175.800 -0.001 0.000 1.121 219 F CA -0.056 57.943 58.000 -0.001 0.000 1.183 219 F CB 0.236 39.235 39.000 -0.001 0.000 1.207 219 F HN 0.006 nan 8.300 nan 0.000 0.555 220 I N 3.412 124.095 120.570 0.187 0.000 2.436 220 I HA 0.243 4.412 4.170 -0.000 0.000 0.289 220 I C -1.029 175.145 176.117 0.095 0.000 1.010 220 I CA -0.479 60.887 61.300 0.110 0.000 1.098 220 I CB 1.628 39.673 38.000 0.076 0.000 1.266 220 I HN 0.336 nan 8.210 nan 0.000 0.434 221 L N 7.694 128.957 121.223 0.066 0.000 2.275 221 L HA 0.539 4.878 4.340 -0.000 0.000 0.288 221 L C -1.136 175.751 176.870 0.029 0.000 1.046 221 L CA -0.485 54.379 54.840 0.041 0.000 0.805 221 L CB 1.157 43.230 42.059 0.024 0.000 1.193 221 L HN 0.608 nan 8.230 nan 0.000 0.426 222 L N 6.059 127.294 121.223 0.021 0.000 2.356 222 L HA 0.493 4.833 4.340 -0.000 0.000 0.264 222 L C 0.025 176.896 176.870 0.001 0.000 1.029 222 L CA -0.241 54.605 54.840 0.009 0.000 0.897 222 L CB 1.379 43.443 42.059 0.007 0.000 1.256 222 L HN 0.670 nan 8.230 nan 0.000 0.444 223 A N 0.809 123.628 122.820 -0.001 0.000 2.317 223 A HA 0.378 4.698 4.320 -0.000 0.000 0.327 223 A C 0.318 177.898 177.584 -0.007 0.000 1.178 223 A CA -0.442 51.593 52.037 -0.002 0.000 0.817 223 A CB 1.216 20.218 19.000 0.002 0.000 1.189 223 A HN 0.682 nan 8.150 nan 0.000 0.489 224 D N 0.631 121.028 120.400 -0.007 0.000 2.305 224 D HA 0.024 4.664 4.640 -0.000 0.000 0.206 224 D C 0.798 177.096 176.300 -0.002 0.000 0.974 224 D CA 1.034 55.028 54.000 -0.009 0.000 0.871 224 D CB 0.157 40.952 40.800 -0.009 0.000 0.947 224 D HN 0.687 nan 8.370 nan 0.000 0.516 225 K N -0.595 119.806 120.400 0.002 0.000 2.210 225 K HA 0.444 4.763 4.320 -0.000 0.000 0.236 225 K C -0.422 176.184 176.600 0.010 0.000 1.016 225 K CA -0.952 55.338 56.287 0.006 0.000 0.913 225 K CB 1.151 33.654 32.500 0.006 0.000 1.141 225 K HN -0.350 nan 8.250 nan 0.000 0.462 226 K N 0.641 121.049 120.400 0.014 0.000 2.270 226 K HA 0.195 4.515 4.320 -0.000 0.000 0.276 226 K C -0.485 176.126 176.600 0.017 0.000 1.023 226 K CA -0.322 55.976 56.287 0.018 0.000 0.955 226 K CB 0.515 33.027 32.500 0.019 0.000 0.975 226 K HN 0.425 nan 8.250 nan 0.000 0.471 227 I N 3.417 124.000 120.570 0.022 0.000 2.388 227 I HA 0.060 4.230 4.170 -0.000 0.000 0.281 227 I C 0.855 176.986 176.117 0.024 0.000 1.046 227 I CA 0.045 61.358 61.300 0.021 0.000 1.187 227 I CB 0.182 38.196 38.000 0.024 0.000 1.351 227 I HN 0.722 nan 8.210 nan 0.000 0.472 228 S N 4.261 119.972 115.700 0.018 0.000 2.527 228 S HA 0.131 4.601 4.470 -0.000 0.000 0.225 228 S C 0.905 175.513 174.600 0.015 0.000 1.046 228 S CA -0.034 58.177 58.200 0.017 0.000 0.929 228 S CB 0.161 63.369 63.200 0.013 0.000 0.851 228 S HN 0.577 nan 8.310 nan 0.000 0.565 229 N N 1.187 119.894 118.700 0.012 0.000 2.513 229 N HA 0.305 5.045 4.740 -0.000 0.000 0.274 229 N C 0.157 175.674 175.510 0.011 0.000 1.189 229 N CA -0.078 52.978 53.050 0.009 0.000 0.975 229 N CB 1.007 39.498 38.487 0.006 0.000 1.157 229 N HN 0.321 nan 8.380 nan 0.000 0.465 230 I N 1.115 121.691 120.570 0.010 0.000 3.956 230 I HA 0.204 4.374 4.170 -0.000 0.000 0.333 230 I C 2.151 178.272 176.117 0.006 0.000 1.302 230 I CA -0.098 61.208 61.300 0.011 0.000 1.122 230 I CB -0.150 37.858 38.000 0.012 0.000 1.013 230 I HN 0.455 nan 8.210 nan 0.000 0.405 231 R N 2.037 122.540 120.500 0.004 0.000 2.090 231 R HA -0.115 4.225 4.340 -0.000 0.000 0.228 231 R C 1.389 177.689 176.300 -0.001 0.000 1.110 231 R CA 1.494 57.594 56.100 0.001 0.000 0.973 231 R CB 0.105 30.405 30.300 0.000 0.000 0.869 231 R HN 0.389 nan 8.270 nan 0.000 0.440 232 E N -0.167 120.033 120.200 -0.000 0.000 2.516 232 E HA -0.111 4.239 4.350 -0.000 0.000 0.199 232 E C 1.362 177.959 176.600 -0.005 0.000 1.069 232 E CA 0.551 56.949 56.400 -0.003 0.000 0.876 232 E CB 0.003 29.703 29.700 -0.001 0.000 0.843 232 E HN 0.207 nan 8.360 nan 0.000 0.530 233 M N -0.099 119.499 119.600 -0.003 0.000 2.357 233 M HA 0.103 4.583 4.480 -0.000 0.000 0.266 233 M C 1.520 177.812 176.300 -0.012 0.000 1.095 233 M CA 0.983 56.280 55.300 -0.005 0.000 1.156 233 M CB 0.177 32.779 32.600 0.003 0.000 1.365 233 M HN 0.111 nan 8.290 nan 0.000 0.447 234 L N 0.411 121.628 121.223 -0.010 0.000 2.079 234 L HA -0.173 4.167 4.340 -0.000 0.000 0.210 234 L C -0.595 176.262 176.870 -0.022 0.000 1.081 234 L CA 1.159 55.990 54.840 -0.014 0.000 0.752 234 L CB -2.339 39.714 42.059 -0.010 0.000 0.896 234 L HN 0.245 nan 8.230 nan 0.000 0.433 235 P HA -0.149 nan 4.420 nan 0.000 0.215 235 P C 1.706 178.979 177.300 -0.045 0.000 1.153 235 P CA 1.930 65.012 63.100 -0.030 0.000 0.853 235 P CB -0.100 31.585 31.700 -0.024 0.000 0.788 236 V N -3.153 116.732 119.914 -0.048 0.000 2.575 236 V HA 0.008 4.128 4.120 -0.000 0.000 0.242 236 V C 2.402 178.445 176.094 -0.085 0.000 1.045 236 V CA 0.715 62.971 62.300 -0.074 0.000 1.065 236 V CB -1.812 29.972 31.823 -0.065 0.000 0.717 236 V HN -0.103 nan 8.190 nan 0.000 0.467 237 L N 0.874 122.065 121.223 -0.054 0.000 2.362 237 L HA 0.050 4.390 4.340 -0.000 0.000 0.219 237 L C 2.301 179.144 176.870 -0.045 0.000 1.134 237 L CA 1.963 56.777 54.840 -0.044 0.000 0.807 237 L CB -0.742 41.305 42.059 -0.019 0.000 0.927 237 L HN 0.552 nan 8.230 nan 0.000 0.447 238 E N -1.286 118.885 120.200 -0.048 0.000 2.364 238 E HA 0.031 4.381 4.350 -0.000 0.000 0.196 238 E C 1.940 178.503 176.600 -0.060 0.000 0.990 238 E CA 0.630 57.005 56.400 -0.042 0.000 0.886 238 E CB 0.318 30.000 29.700 -0.030 0.000 0.866 238 E HN 0.525 nan 8.360 nan 0.000 0.493 239 A N 0.907 123.673 122.820 -0.089 0.000 2.016 239 A HA -0.064 4.256 4.320 -0.000 0.000 0.217 239 A C 2.158 179.634 177.584 -0.180 0.000 1.162 239 A CA 1.194 53.158 52.037 -0.120 0.000 0.662 239 A CB -0.278 18.641 19.000 -0.135 0.000 0.812 239 A HN 0.219 nan 8.150 nan 0.000 0.450 240 V N -3.807 115.983 119.914 -0.206 0.000 3.608 240 V HA 0.408 4.528 4.120 -0.000 0.000 0.269 240 V C 2.022 178.069 176.094 -0.078 0.000 1.245 240 V CA 1.033 63.189 62.300 -0.240 0.000 1.138 240 V CB -0.532 31.113 31.823 -0.296 0.000 0.841 240 V HN 0.393 nan 8.190 nan 0.000 0.451 241 A N 1.157 123.944 122.820 -0.054 0.000 1.897 241 A HA 0.009 4.329 4.320 -0.000 0.000 0.215 241 A C 2.176 179.756 177.584 -0.008 0.000 1.181 241 A CA 1.581 53.608 52.037 -0.017 0.000 0.620 241 A CB -0.359 18.631 19.000 -0.015 0.000 0.821 241 A HN 0.553 nan 8.150 nan 0.000 0.443 242 K N -0.307 120.080 120.400 -0.022 0.000 2.444 242 K HA 0.286 4.606 4.320 -0.000 0.000 0.193 242 K C 1.223 177.824 176.600 0.003 0.000 1.024 242 K CA 0.460 56.742 56.287 -0.009 0.000 1.077 242 K CB 0.135 32.625 32.500 -0.016 0.000 0.833 242 K HN 0.400 nan 8.250 nan 0.000 0.517 243 A N 0.287 123.110 122.820 0.005 0.000 2.308 243 A HA 0.284 4.604 4.320 -0.000 0.000 0.217 243 A C 1.521 179.175 177.584 0.116 0.000 1.216 243 A CA 0.604 52.680 52.037 0.065 0.000 0.864 243 A CB -0.128 18.900 19.000 0.048 0.000 0.902 243 A HN 0.355 nan 8.150 nan 0.000 0.499 244 G N -0.068 108.779 108.800 0.078 0.000 2.353 244 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.258 244 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.258 244 G C 0.460 175.418 174.900 0.097 0.000 1.013 244 G CA 0.960 46.104 45.100 0.074 0.000 0.622 244 G HN 0.607 nan 8.290 nan 0.000 0.535 245 K N 1.339 121.842 120.400 0.173 0.000 2.098 245 K HA 0.517 4.837 4.320 -0.000 0.000 0.257 245 K C -2.216 174.495 176.600 0.184 0.000 0.999 245 K CA -1.715 54.684 56.287 0.187 0.000 0.924 245 K CB 0.976 33.629 32.500 0.255 0.000 1.028 245 K HN 0.097 nan 8.250 nan 0.000 0.466 246 P HA 0.185 nan 4.420 nan 0.000 0.286 246 P C -1.099 176.298 177.300 0.162 0.000 1.293 246 P CA -0.593 62.572 63.100 0.108 0.000 0.770 246 P CB 0.530 32.266 31.700 0.059 0.000 1.206 247 L N 0.299 121.582 121.223 0.100 0.000 2.526 247 L HA 0.430 4.770 4.340 -0.000 0.000 0.263 247 L C -1.872 175.017 176.870 0.033 0.000 0.943 247 L CA -0.744 54.160 54.840 0.106 0.000 0.859 247 L CB 1.629 43.736 42.059 0.081 0.000 1.313 247 L HN 0.277 nan 8.230 nan 0.000 0.406 248 L N 5.699 126.946 121.223 0.041 0.000 2.317 248 L HA 0.564 4.904 4.340 -0.000 0.000 0.281 248 L C -0.791 176.084 176.870 0.009 0.000 1.024 248 L CA -0.539 54.302 54.840 0.002 0.000 0.810 248 L CB 1.790 43.862 42.059 0.021 0.000 1.240 248 L HN 0.623 nan 8.230 nan 0.000 0.427 249 I N 6.088 126.645 120.570 -0.022 0.000 2.355 249 I HA 0.374 4.544 4.170 -0.000 0.000 0.288 249 I C -0.332 175.796 176.117 0.018 0.000 0.999 249 I CA -0.376 60.921 61.300 -0.004 0.000 1.163 249 I CB 1.655 39.642 38.000 -0.022 0.000 1.316 249 I HN 0.406 nan 8.210 nan 0.000 0.454 250 I N 6.122 126.711 120.570 0.032 0.000 2.355 250 I HA 0.763 4.933 4.170 -0.000 0.000 0.288 250 I C 0.108 176.229 176.117 0.006 0.000 0.999 250 I CA -0.243 61.076 61.300 0.032 0.000 1.163 250 I CB 1.479 39.499 38.000 0.034 0.000 1.316 250 I HN 0.651 nan 8.210 nan 0.000 0.454 251 A N 4.667 127.492 122.820 0.008 0.000 2.564 251 A HA 0.470 4.790 4.320 -0.000 0.000 0.288 251 A C 0.665 178.252 177.584 0.006 0.000 1.164 251 A CA -0.534 51.505 52.037 0.004 0.000 0.712 251 A CB 1.386 20.393 19.000 0.012 0.000 1.303 251 A HN 0.693 nan 8.150 nan 0.000 0.418 252 E N -0.283 119.921 120.200 0.007 0.000 2.114 252 E HA -0.186 4.164 4.350 -0.000 0.000 0.199 252 E C -0.185 176.431 176.600 0.027 0.000 1.008 252 E CA 1.889 58.298 56.400 0.015 0.000 0.810 252 E CB 0.160 29.871 29.700 0.018 0.000 0.739 252 E HN 0.576 nan 8.360 nan 0.000 0.456 253 D N -2.320 118.098 120.400 0.030 0.000 2.738 253 D HA 0.198 4.838 4.640 -0.000 0.000 0.308 253 D C -1.727 174.599 176.300 0.044 0.000 1.311 253 D CA -0.459 53.565 54.000 0.041 0.000 0.799 253 D CB 2.029 42.853 40.800 0.040 0.000 1.332 253 D HN -0.225 nan 8.370 nan 0.000 0.441 254 V N 1.768 121.716 119.914 0.057 0.000 2.447 254 V HA 0.311 4.431 4.120 -0.000 0.000 0.292 254 V C -0.238 175.892 176.094 0.060 0.000 1.021 254 V CA -0.661 61.675 62.300 0.060 0.000 0.850 254 V CB 1.526 33.397 31.823 0.080 0.000 1.005 254 V HN 0.410 nan 8.190 nan 0.000 0.426 255 E N 2.481 122.707 120.200 0.043 0.000 2.349 255 E HA 0.477 4.827 4.350 -0.000 0.000 0.265 255 E C 1.479 178.096 176.600 0.028 0.000 1.064 255 E CA 0.784 57.203 56.400 0.033 0.000 0.886 255 E CB 1.490 31.204 29.700 0.023 0.000 1.036 255 E HN 0.689 nan 8.360 nan 0.000 0.413 256 G N 2.332 111.142 108.800 0.017 0.000 2.656 256 G HA2 -0.441 3.519 3.960 -0.000 0.000 0.223 256 G HA3 -0.441 3.519 3.960 -0.000 0.000 0.223 256 G C 1.303 176.204 174.900 0.001 0.000 1.130 256 G CA 1.535 46.637 45.100 0.003 0.000 0.758 256 G HN 0.707 nan 8.290 nan 0.000 0.608 257 E N 0.320 120.524 120.200 0.006 0.000 2.031 257 E HA -0.041 4.309 4.350 -0.000 0.000 0.193 257 E C 2.766 179.373 176.600 0.011 0.000 0.994 257 E CA 1.193 57.596 56.400 0.004 0.000 0.800 257 E CB -0.259 29.444 29.700 0.006 0.000 0.752 257 E HN 0.418 nan 8.360 nan 0.000 0.447 258 A N 0.660 123.493 122.820 0.021 0.000 2.021 258 A HA 0.013 4.333 4.320 -0.000 0.000 0.216 258 A C 2.062 179.676 177.584 0.051 0.000 1.163 258 A CA 0.401 52.457 52.037 0.032 0.000 0.676 258 A CB -0.388 18.631 19.000 0.033 0.000 0.818 258 A HN 0.377 nan 8.150 nan 0.000 0.453 259 L N -0.243 121.013 121.223 0.056 0.000 1.976 259 L HA -0.087 4.252 4.340 -0.000 0.000 0.209 259 L C 2.715 179.608 176.870 0.039 0.000 1.071 259 L CA 1.847 56.739 54.840 0.086 0.000 0.746 259 L CB -0.384 41.721 42.059 0.077 0.000 0.890 259 L HN 0.315 nan 8.230 nan 0.000 0.432 260 A N -0.833 121.977 122.820 -0.015 0.000 2.019 260 A HA -0.214 4.105 4.320 -0.000 0.000 0.219 260 A C 2.283 179.842 177.584 -0.041 0.000 1.164 260 A CA 2.165 54.163 52.037 -0.065 0.000 0.644 260 A CB -1.225 17.732 19.000 -0.071 0.000 0.805 260 A HN 0.676 nan 8.150 nan 0.000 0.449 261 T N -1.586 112.966 114.554 -0.004 0.000 2.812 261 T HA 0.007 4.357 4.350 -0.000 0.000 0.264 261 T C 1.825 176.545 174.700 0.034 0.000 1.042 261 T CA 1.212 63.317 62.100 0.009 0.000 1.140 261 T CB -0.459 68.417 68.868 0.014 0.000 0.870 261 T HN 0.293 nan 8.240 nan 0.000 0.445 262 L N 0.632 121.898 121.223 0.071 0.000 2.093 262 L HA -0.015 4.325 4.340 -0.000 0.000 0.208 262 L C 2.909 179.879 176.870 0.167 0.000 1.085 262 L CA 0.621 55.545 54.840 0.140 0.000 0.755 262 L CB -0.579 41.605 42.059 0.207 0.000 0.904 262 L HN 0.161 nan 8.230 nan 0.000 0.435 263 V N -0.303 119.645 119.914 0.058 0.000 2.255 263 V HA -0.262 3.858 4.120 -0.000 0.000 0.247 263 V C 2.277 178.340 176.094 -0.051 0.000 1.051 263 V CA 1.826 64.052 62.300 -0.122 0.000 1.018 263 V CB -0.240 31.392 31.823 -0.319 0.000 0.641 263 V HN 0.251 nan 8.190 nan 0.000 0.445 264 V N 0.135 120.026 119.914 -0.039 0.000 3.217 264 V HA -0.099 4.021 4.120 -0.000 0.000 0.264 264 V C 2.031 178.140 176.094 0.024 0.000 1.135 264 V CA 1.460 63.756 62.300 -0.007 0.000 1.142 264 V CB -0.972 30.838 31.823 -0.021 0.000 0.754 264 V HN 0.600 nan 8.190 nan 0.000 0.484 265 N N 0.806 119.531 118.700 0.042 0.000 2.494 265 N HA -0.109 4.631 4.740 -0.000 0.000 0.182 265 N C 1.845 177.397 175.510 0.071 0.000 1.076 265 N CA 1.618 54.700 53.050 0.053 0.000 0.908 265 N CB 0.388 38.910 38.487 0.058 0.000 0.967 265 N HN 0.737 nan 8.380 nan 0.000 0.449 266 T N -1.474 113.137 114.554 0.096 0.000 3.082 266 T HA 0.091 4.441 4.350 -0.000 0.000 0.235 266 T C 1.151 175.894 174.700 0.072 0.000 0.991 266 T CA -0.191 61.974 62.100 0.107 0.000 1.220 266 T CB -0.300 68.685 68.868 0.194 0.000 0.909 266 T HN 0.098 nan 8.240 nan 0.000 0.424 267 M N 1.455 121.094 119.600 0.065 0.000 2.292 267 M HA 0.631 5.111 4.480 -0.000 0.000 0.342 267 M C 0.467 176.786 176.300 0.032 0.000 1.538 267 M CA -0.395 54.929 55.300 0.039 0.000 1.163 267 M CB 0.538 33.160 32.600 0.036 0.000 1.823 267 M HN 0.188 nan 8.290 nan 0.000 0.462 268 R N 0.888 121.400 120.500 0.020 0.000 3.728 268 R HA -0.090 4.250 4.340 -0.000 0.000 0.478 268 R C -0.254 176.056 176.300 0.017 0.000 0.932 268 R CA 1.127 57.236 56.100 0.014 0.000 1.317 268 R CB -2.137 28.171 30.300 0.014 0.000 1.987 268 R HN 1.144 nan 8.270 nan 0.000 0.509 269 G N -0.947 107.868 108.800 0.026 0.000 2.788 269 G HA2 0.629 4.589 3.960 -0.000 0.000 0.293 269 G HA3 0.629 4.589 3.960 -0.000 0.000 0.293 269 G C 1.274 176.191 174.900 0.028 0.000 1.305 269 G CA -0.314 44.802 45.100 0.027 0.000 1.005 269 G HN -0.008 nan 8.290 nan 0.000 0.496 270 I N -0.478 120.107 120.570 0.026 0.000 2.070 270 I HA -0.064 4.106 4.170 -0.000 0.000 0.224 270 I C 0.796 176.932 176.117 0.030 0.000 1.049 270 I CA 0.775 62.089 61.300 0.023 0.000 1.334 270 I CB -0.613 37.397 38.000 0.017 0.000 1.095 270 I HN 0.003 nan 8.210 nan 0.000 0.391 271 V N 1.978 121.912 119.914 0.033 0.000 2.455 271 V HA 0.088 4.208 4.120 -0.000 0.000 0.273 271 V C 0.119 176.245 176.094 0.054 0.000 1.045 271 V CA -0.470 61.853 62.300 0.038 0.000 0.976 271 V CB 0.442 32.283 31.823 0.029 0.000 0.993 271 V HN 0.224 nan 8.190 nan 0.000 0.475 272 K N 4.245 124.679 120.400 0.057 0.000 2.273 272 K HA 0.503 4.823 4.320 -0.000 0.000 0.287 272 K C -0.404 176.234 176.600 0.063 0.000 1.089 272 K CA -0.189 56.141 56.287 0.072 0.000 0.909 272 K CB 0.892 33.430 32.500 0.062 0.000 1.123 272 K HN 0.730 nan 8.250 nan 0.000 0.473 273 V N -0.255 119.701 119.914 0.070 0.000 3.102 273 V HA 0.977 5.097 4.120 -0.000 0.000 0.312 273 V C -0.935 175.062 176.094 -0.161 0.000 1.135 273 V CA -1.012 61.282 62.300 -0.010 0.000 1.022 273 V CB 1.869 33.687 31.823 -0.008 0.000 1.056 273 V HN 0.654 nan 8.190 nan 0.000 0.436 274 A N 0.958 123.554 122.820 -0.374 0.000 2.587 274 A HA 1.080 5.400 4.320 -0.000 0.000 0.293 274 A C -0.464 176.748 177.584 -0.619 0.000 1.087 274 A CA -0.359 51.109 52.037 -0.948 0.000 0.692 274 A CB 1.716 20.363 19.000 -0.588 0.000 1.291 274 A HN 2.594 nan 8.150 nan 0.000 0.407 275 A N 0.019 122.421 122.820 -0.697 0.000 2.486 275 A HA 0.828 5.148 4.320 -0.000 0.000 0.300 275 A C -0.737 176.823 177.584 -0.040 0.000 1.048 275 A CA -0.057 51.846 52.037 -0.223 0.000 0.696 275 A CB 1.403 20.334 19.000 -0.116 0.000 1.278 275 A HN 2.279 nan 8.150 nan 0.000 0.405 276 V N -0.964 118.976 119.914 0.044 0.000 2.925 276 V HA 0.600 4.720 4.120 -0.000 0.000 0.311 276 V C -0.409 175.752 176.094 0.113 0.000 1.104 276 V CA -1.269 61.102 62.300 0.118 0.000 0.954 276 V CB 1.550 33.479 31.823 0.177 0.000 1.022 276 V HN 0.866 nan 8.190 nan 0.000 0.427 277 K N 1.991 122.456 120.400 0.109 0.000 2.436 277 K HA 0.557 4.877 4.320 -0.000 0.000 0.275 277 K C 0.543 177.161 176.600 0.030 0.000 0.999 277 K CA 0.404 56.732 56.287 0.068 0.000 0.980 277 K CB 1.128 33.668 32.500 0.066 0.000 0.919 277 K HN 1.108 nan 8.250 nan 0.000 0.484 278 A N 5.038 127.835 122.820 -0.039 0.000 2.445 278 A HA 0.201 4.521 4.320 -0.000 0.000 0.242 278 A C -2.025 175.450 177.584 -0.182 0.000 1.075 278 A CA -1.092 50.846 52.037 -0.166 0.000 0.777 278 A CB -0.325 18.600 19.000 -0.125 0.000 1.013 278 A HN 0.462 nan 8.150 nan 0.000 0.493 279 P HA 0.386 nan 4.420 nan 0.000 0.272 279 P C 0.746 178.002 177.300 -0.074 0.000 1.223 279 P CA 1.373 64.338 63.100 -0.224 0.000 0.784 279 P CB 0.540 31.999 31.700 -0.401 0.000 0.923 280 G N 1.540 110.364 108.800 0.040 0.000 2.645 280 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.239 280 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.239 280 G C -0.894 174.152 174.900 0.243 0.000 1.331 280 G CA 0.089 45.269 45.100 0.133 0.000 0.890 280 G HN 0.773 nan 8.290 nan 0.000 0.572 281 F N -2.299 117.648 119.950 -0.006 0.000 2.654 281 F HA 0.750 5.277 4.527 -0.000 0.000 0.308 281 F C 0.981 176.783 175.800 0.004 0.000 1.108 281 F CA 0.401 58.400 58.000 -0.001 0.000 0.957 281 F CB 1.079 40.085 39.000 0.009 0.000 1.309 281 F HN 2.459 nan 8.300 nan 0.000 0.446 282 G N 1.902 110.685 108.800 -0.027 0.000 2.574 282 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.301 282 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.301 282 G C 0.447 175.262 174.900 -0.142 0.000 1.166 282 G CA 0.622 45.653 45.100 -0.116 0.000 0.971 282 G HN 0.850 nan 8.290 nan 0.000 0.542 283 D N 0.577 120.861 120.400 -0.193 0.000 2.277 283 D HA 0.047 4.687 4.640 -0.000 0.000 0.208 283 D C 2.507 178.725 176.300 -0.136 0.000 0.962 283 D CA 0.962 54.883 54.000 -0.132 0.000 0.865 283 D CB -0.019 40.715 40.800 -0.109 0.000 0.939 283 D HN 0.251 nan 8.370 nan 0.000 0.510 284 R N 1.463 121.845 120.500 -0.197 0.000 2.061 284 R HA -0.062 4.277 4.340 -0.000 0.000 0.230 284 R C 2.313 178.545 176.300 -0.114 0.000 1.140 284 R CA 1.295 57.302 56.100 -0.155 0.000 0.940 284 R CB -0.250 29.940 30.300 -0.183 0.000 0.839 284 R HN 0.195 nan 8.270 nan 0.000 0.429 285 R N 0.591 121.027 120.500 -0.107 0.000 2.200 285 R HA -0.059 4.281 4.340 -0.000 0.000 0.234 285 R C 1.654 177.909 176.300 -0.076 0.000 1.127 285 R CA 1.161 57.211 56.100 -0.084 0.000 0.989 285 R CB -0.340 29.927 30.300 -0.055 0.000 0.869 285 R HN 0.061 nan 8.270 nan 0.000 0.459 286 K N 1.246 121.605 120.400 -0.068 0.000 1.991 286 K HA -0.088 4.232 4.320 -0.000 0.000 0.212 286 K C 2.244 178.812 176.600 -0.054 0.000 1.049 286 K CA 1.806 58.061 56.287 -0.054 0.000 0.932 286 K CB -0.321 32.149 32.500 -0.049 0.000 0.717 286 K HN 0.339 nan 8.250 nan 0.000 0.441 287 A N 0.924 123.709 122.820 -0.059 0.000 2.021 287 A HA 0.022 4.342 4.320 -0.000 0.000 0.216 287 A C 2.119 179.668 177.584 -0.058 0.000 1.163 287 A CA 0.632 52.638 52.037 -0.052 0.000 0.676 287 A CB -0.215 18.755 19.000 -0.050 0.000 0.818 287 A HN 0.144 nan 8.150 nan 0.000 0.453 288 M N -0.976 118.579 119.600 -0.075 0.000 2.229 288 M HA -0.083 4.397 4.480 -0.000 0.000 0.264 288 M C 2.060 178.296 176.300 -0.106 0.000 1.063 288 M CA 1.186 56.433 55.300 -0.089 0.000 1.114 288 M CB -0.339 32.197 32.600 -0.107 0.000 1.387 288 M HN 0.495 nan 8.290 nan 0.000 0.420 289 L N 0.216 121.377 121.223 -0.102 0.000 2.179 289 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 289 L C 2.299 179.135 176.870 -0.058 0.000 1.096 289 L CA 1.654 56.435 54.840 -0.098 0.000 0.779 289 L CB -0.573 41.434 42.059 -0.086 0.000 0.922 289 L HN 0.198 nan 8.230 nan 0.000 0.443 290 Q N -0.235 119.538 119.800 -0.046 0.000 2.124 290 Q HA -0.208 4.132 4.340 -0.000 0.000 0.202 290 Q C 1.720 177.707 176.000 -0.022 0.000 0.977 290 Q CA 1.894 57.679 55.803 -0.029 0.000 0.850 290 Q CB -0.213 28.509 28.738 -0.027 0.000 0.901 290 Q HN 0.513 nan 8.270 nan 0.000 0.429 291 D N -0.182 120.201 120.400 -0.028 0.000 2.106 291 D HA -0.189 4.451 4.640 -0.000 0.000 0.191 291 D C 1.769 178.068 176.300 -0.002 0.000 0.997 291 D CA 1.553 55.543 54.000 -0.016 0.000 0.834 291 D CB -0.247 40.541 40.800 -0.020 0.000 0.956 291 D HN 0.359 nan 8.370 nan 0.000 0.448 292 I N 1.012 121.578 120.570 -0.006 0.000 2.226 292 I HA -0.272 3.898 4.170 -0.000 0.000 0.245 292 I C 2.467 178.595 176.117 0.019 0.000 1.100 292 I CA 1.132 62.445 61.300 0.022 0.000 1.374 292 I CB -0.250 37.762 38.000 0.021 0.000 1.057 292 I HN -0.067 nan 8.210 nan 0.000 0.413 293 A N 0.464 123.287 122.820 0.006 0.000 1.892 293 A HA -0.259 4.061 4.320 -0.000 0.000 0.218 293 A C 2.408 179.999 177.584 0.010 0.000 1.188 293 A CA 2.737 54.780 52.037 0.009 0.000 0.631 293 A CB -1.296 17.705 19.000 0.001 0.000 0.822 293 A HN 0.432 nan 8.150 nan 0.000 0.447 294 T N -0.008 114.549 114.554 0.005 0.000 2.708 294 T HA -0.155 4.195 4.350 -0.000 0.000 0.266 294 T C 1.833 176.538 174.700 0.008 0.000 1.037 294 T CA 1.534 63.636 62.100 0.005 0.000 1.146 294 T CB -0.415 68.454 68.868 0.001 0.000 0.865 294 T HN 0.319 nan 8.240 nan 0.000 0.435 295 L N 1.851 123.081 121.223 0.012 0.000 2.083 295 L HA -0.049 4.291 4.340 -0.000 0.000 0.209 295 L C 2.494 179.372 176.870 0.013 0.000 1.083 295 L CA 2.126 56.974 54.840 0.014 0.000 0.752 295 L CB -1.025 41.048 42.059 0.024 0.000 0.899 295 L HN 0.448 nan 8.230 nan 0.000 0.433 296 T N -3.913 110.651 114.554 0.018 0.000 3.081 296 T HA 0.302 4.651 4.350 -0.000 0.000 0.250 296 T C 1.297 176.006 174.700 0.014 0.000 1.100 296 T CA 0.245 62.354 62.100 0.016 0.000 1.038 296 T CB -0.372 68.513 68.868 0.028 0.000 0.962 296 T HN 0.646 nan 8.240 nan 0.000 0.516 297 G N 0.575 109.384 108.800 0.015 0.000 2.298 297 G HA2 0.119 4.079 3.960 -0.000 0.000 0.287 297 G HA3 0.119 4.079 3.960 -0.000 0.000 0.287 297 G C 0.243 175.159 174.900 0.027 0.000 1.075 297 G CA -0.182 44.928 45.100 0.016 0.000 0.960 297 G HN 1.037 nan 8.290 nan 0.000 0.502 298 G N -1.503 107.314 108.800 0.027 0.000 3.013 298 G HA2 0.887 4.847 3.960 -0.000 0.000 0.278 298 G HA3 0.887 4.847 3.960 -0.000 0.000 0.278 298 G C -0.381 174.532 174.900 0.022 0.000 1.353 298 G CA 0.184 45.305 45.100 0.034 0.000 1.043 298 G HN 0.743 nan 8.290 nan 0.000 0.523 299 T N -0.040 114.526 114.554 0.021 0.000 2.856 299 T HA 0.516 4.865 4.350 -0.000 0.000 0.283 299 T C 0.076 174.781 174.700 0.008 0.000 1.008 299 T CA -0.445 61.662 62.100 0.012 0.000 0.997 299 T CB 1.616 70.490 68.868 0.010 0.000 0.992 299 T HN 0.896 nan 8.240 nan 0.000 0.454 300 V N 0.752 120.667 119.914 0.001 0.000 2.432 300 V HA 0.504 4.624 4.120 -0.000 0.000 0.271 300 V C -0.125 175.967 176.094 -0.003 0.000 1.046 300 V CA -0.774 61.524 62.300 -0.004 0.000 0.945 300 V CB -0.216 31.601 31.823 -0.011 0.000 0.992 300 V HN 0.745 nan 8.190 nan 0.000 0.471 301 I N 5.110 125.679 120.570 -0.003 0.000 2.260 301 I HA 0.231 4.401 4.170 -0.000 0.000 0.297 301 I C 0.854 176.968 176.117 -0.005 0.000 1.143 301 I CA 1.053 62.351 61.300 -0.003 0.000 1.271 301 I CB 0.028 38.027 38.000 -0.002 0.000 1.461 301 I HN 0.736 nan 8.210 nan 0.000 0.530 302 S N 4.588 120.285 115.700 -0.005 0.000 2.616 302 S HA 0.304 4.774 4.470 -0.000 0.000 0.277 302 S C 1.061 175.658 174.600 -0.004 0.000 1.234 302 S CA -0.800 57.396 58.200 -0.006 0.000 1.028 302 S CB 1.650 64.845 63.200 -0.008 0.000 0.988 302 S HN 0.482 nan 8.310 nan 0.000 0.522 303 E N 1.491 121.688 120.200 -0.004 0.000 2.190 303 E HA -0.038 4.312 4.350 -0.000 0.000 0.191 303 E C 1.060 177.658 176.600 -0.003 0.000 0.978 303 E CA 0.732 57.130 56.400 -0.003 0.000 0.839 303 E CB -0.100 29.600 29.700 -0.001 0.000 0.787 303 E HN 0.619 nan 8.360 nan 0.000 0.473 304 E N 0.273 120.470 120.200 -0.004 0.000 2.516 304 E HA 0.011 4.361 4.350 -0.000 0.000 0.199 304 E C 1.502 178.099 176.600 -0.004 0.000 1.069 304 E CA 0.333 56.731 56.400 -0.004 0.000 0.876 304 E CB 0.011 29.708 29.700 -0.006 0.000 0.843 304 E HN 0.289 nan 8.360 nan 0.000 0.530 305 I N -1.942 118.626 120.570 -0.004 0.000 4.035 305 I HA 0.264 4.433 4.170 -0.000 0.000 0.321 305 I C 1.553 177.668 176.117 -0.003 0.000 1.289 305 I CA 0.394 61.691 61.300 -0.004 0.000 1.236 305 I CB 0.585 38.582 38.000 -0.004 0.000 1.076 305 I HN 0.229 nan 8.210 nan 0.000 0.418 306 G N 1.418 110.217 108.800 -0.003 0.000 2.254 306 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.225 306 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.225 306 G C 0.456 175.355 174.900 -0.003 0.000 1.003 306 G CA -0.332 44.767 45.100 -0.002 0.000 0.622 306 G HN 0.214 nan 8.290 nan 0.000 0.507 307 M N 1.479 121.077 119.600 -0.003 0.000 2.286 307 M HA 0.294 4.774 4.480 -0.000 0.000 0.365 307 M C 0.526 176.824 176.300 -0.003 0.000 1.443 307 M CA 1.100 56.398 55.300 -0.003 0.000 0.951 307 M CB 0.307 32.905 32.600 -0.003 0.000 1.961 307 M HN 0.347 nan 8.290 nan 0.000 0.468 308 E N 2.064 122.262 120.200 -0.003 0.000 2.281 308 E HA 0.333 4.683 4.350 -0.000 0.000 0.262 308 E C 0.295 176.892 176.600 -0.004 0.000 0.933 308 E CA -0.655 55.743 56.400 -0.003 0.000 0.809 308 E CB 1.573 31.271 29.700 -0.003 0.000 1.242 308 E HN 0.702 nan 8.360 nan 0.000 0.418 309 L N 1.338 122.558 121.223 -0.004 0.000 2.131 309 L HA -0.157 4.183 4.340 -0.000 0.000 0.210 309 L C 1.984 178.848 176.870 -0.009 0.000 1.092 309 L CA 1.169 56.005 54.840 -0.006 0.000 0.759 309 L CB -0.271 41.785 42.059 -0.004 0.000 0.903 309 L HN 0.594 nan 8.230 nan 0.000 0.435 310 E N 0.432 120.627 120.200 -0.008 0.000 2.153 310 E HA -0.185 4.165 4.350 -0.000 0.000 0.194 310 E C 0.751 177.344 176.600 -0.012 0.000 0.988 310 E CA 0.918 57.312 56.400 -0.010 0.000 0.811 310 E CB -0.001 29.694 29.700 -0.008 0.000 0.746 310 E HN 0.300 nan 8.360 nan 0.000 0.466 311 K N 0.722 121.116 120.400 -0.010 0.000 2.997 311 K HA 0.322 4.642 4.320 -0.000 0.000 0.249 311 K C -0.969 175.625 176.600 -0.011 0.000 1.284 311 K CA -0.203 56.078 56.287 -0.010 0.000 1.245 311 K CB 1.322 33.818 32.500 -0.007 0.000 1.670 311 K HN 0.019 nan 8.250 nan 0.000 0.385 312 A N 0.195 123.006 122.820 -0.015 0.000 2.486 312 A HA 0.689 5.009 4.320 -0.000 0.000 0.300 312 A C -0.411 177.156 177.584 -0.028 0.000 1.048 312 A CA -0.686 51.341 52.037 -0.017 0.000 0.696 312 A CB 1.235 20.226 19.000 -0.015 0.000 1.278 312 A HN 0.248 nan 8.150 nan 0.000 0.405 313 T N 1.256 115.793 114.554 -0.028 0.000 2.841 313 T HA 0.470 4.820 4.350 -0.000 0.000 0.276 313 T C 1.300 175.966 174.700 -0.058 0.000 1.003 313 T CA -0.551 61.523 62.100 -0.043 0.000 0.995 313 T CB 0.578 69.429 68.868 -0.029 0.000 1.260 313 T HN 0.365 nan 8.240 nan 0.000 0.581 314 L N 0.915 122.085 121.223 -0.089 0.000 2.042 314 L HA -0.114 4.226 4.340 -0.000 0.000 0.210 314 L C 2.824 179.698 176.870 0.007 0.000 1.076 314 L CA 1.662 56.431 54.840 -0.119 0.000 0.749 314 L CB -1.051 40.910 42.059 -0.164 0.000 0.893 314 L HN 0.847 nan 8.230 nan 0.000 0.432 315 E N -0.166 120.044 120.200 0.017 0.000 2.171 315 E HA -0.285 4.065 4.350 -0.000 0.000 0.197 315 E C 1.069 177.693 176.600 0.041 0.000 0.997 315 E CA 1.730 58.154 56.400 0.040 0.000 0.810 315 E CB -0.528 29.186 29.700 0.023 0.000 0.738 315 E HN 0.563 nan 8.360 nan 0.000 0.467 316 D N 0.388 120.804 120.400 0.026 0.000 2.317 316 D HA 0.024 4.664 4.640 -0.000 0.000 0.211 316 D C 0.430 176.755 176.300 0.042 0.000 0.966 316 D CA 0.357 54.372 54.000 0.024 0.000 0.876 316 D CB 0.090 40.895 40.800 0.009 0.000 0.927 316 D HN 0.131 nan 8.370 nan 0.000 0.519 317 L N 0.446 121.710 121.223 0.068 0.000 2.439 317 L HA 0.391 4.731 4.340 -0.000 0.000 0.261 317 L C 1.301 178.249 176.870 0.131 0.000 1.153 317 L CA -0.248 54.656 54.840 0.108 0.000 0.808 317 L CB 1.051 43.202 42.059 0.154 0.000 1.126 317 L HN -0.162 nan 8.230 nan 0.000 0.460 318 G N 0.433 109.300 108.800 0.112 0.000 2.522 318 G HA2 0.616 4.576 3.960 -0.000 0.000 0.304 318 G HA3 0.616 4.576 3.960 -0.000 0.000 0.304 318 G C -1.082 173.854 174.900 0.059 0.000 1.210 318 G CA -0.282 44.863 45.100 0.074 0.000 0.960 318 G HN 0.508 nan 8.290 nan 0.000 0.497 319 Q N -1.529 118.267 119.800 -0.007 0.000 2.377 319 Q HA 0.586 4.926 4.340 -0.000 0.000 0.279 319 Q C -1.000 174.956 176.000 -0.073 0.000 1.049 319 Q CA -0.737 55.011 55.803 -0.093 0.000 0.825 319 Q CB 2.612 31.248 28.738 -0.170 0.000 1.401 319 Q HN 0.869 nan 8.270 nan 0.000 0.404 320 A N 1.140 123.905 122.820 -0.093 0.000 2.566 320 A HA 0.481 4.801 4.320 -0.000 0.000 0.292 320 A C -0.436 177.097 177.584 -0.085 0.000 1.112 320 A CA -0.575 51.422 52.037 -0.067 0.000 0.707 320 A CB 1.586 20.563 19.000 -0.039 0.000 1.302 320 A HN 0.755 nan 8.150 nan 0.000 0.409 321 K N -0.576 119.785 120.400 -0.065 0.000 2.296 321 K HA 0.113 4.433 4.320 -0.000 0.000 0.200 321 K C 0.555 177.123 176.600 -0.053 0.000 1.048 321 K CA 1.031 57.281 56.287 -0.063 0.000 0.966 321 K CB 0.123 32.593 32.500 -0.049 0.000 0.754 321 K HN 0.571 nan 8.250 nan 0.000 0.466 322 R N -1.151 119.321 120.500 -0.046 0.000 2.712 322 R HA 0.377 4.717 4.340 -0.000 0.000 0.272 322 R C -2.124 174.154 176.300 -0.036 0.000 1.032 322 R CA -0.659 55.418 56.100 -0.038 0.000 0.874 322 R CB 2.455 32.735 30.300 -0.033 0.000 1.256 322 R HN -0.102 nan 8.270 nan 0.000 0.468 323 V N 1.809 121.704 119.914 -0.032 0.000 2.882 323 V HA 0.580 4.700 4.120 -0.000 0.000 0.295 323 V C -1.753 174.322 176.094 -0.033 0.000 1.273 323 V CA -0.515 61.763 62.300 -0.038 0.000 0.949 323 V CB 2.047 33.851 31.823 -0.033 0.000 1.071 323 V HN 0.577 nan 8.190 nan 0.000 0.432 324 V N 5.114 125.001 119.914 -0.045 0.000 2.487 324 V HA 0.829 4.949 4.120 -0.000 0.000 0.298 324 V C -0.713 175.359 176.094 -0.036 0.000 1.028 324 V CA -0.494 61.790 62.300 -0.027 0.000 0.860 324 V CB 1.464 33.274 31.823 -0.021 0.000 0.991 324 V HN 0.760 nan 8.190 nan 0.000 0.427 325 I N 6.495 127.075 120.570 0.017 0.000 2.474 325 I HA 0.597 4.767 4.170 -0.000 0.000 0.294 325 I C 0.203 176.406 176.117 0.144 0.000 1.005 325 I CA -0.152 61.176 61.300 0.048 0.000 1.113 325 I CB 1.892 39.951 38.000 0.098 0.000 1.289 325 I HN 0.985 nan 8.210 nan 0.000 0.436 326 N N 4.671 123.423 118.700 0.086 0.000 3.283 326 N HA 0.306 5.046 4.740 -0.000 0.000 0.338 326 N C 0.610 175.999 175.510 -0.201 0.000 1.517 326 N CA -0.776 52.353 53.050 0.131 0.000 0.733 326 N CB 0.855 39.392 38.487 0.084 0.000 1.797 326 N HN 0.405 nan 8.380 nan 0.000 0.637 327 K N -0.370 119.898 120.400 -0.220 0.000 2.127 327 K HA -0.235 4.085 4.320 -0.000 0.000 0.212 327 K C -0.312 176.033 176.600 -0.426 0.000 1.050 327 K CA 2.955 58.956 56.287 -0.477 0.000 0.929 327 K CB -0.231 32.194 32.500 -0.125 0.000 0.715 327 K HN 0.733 nan 8.250 nan 0.000 0.457 328 D N -2.991 117.278 120.400 -0.218 0.000 2.523 328 D HA 0.081 4.721 4.640 -0.000 0.000 0.269 328 D C -0.582 175.671 176.300 -0.078 0.000 1.374 328 D CA -0.362 53.561 54.000 -0.128 0.000 0.820 328 D CB 0.904 41.664 40.800 -0.068 0.000 1.211 328 D HN -0.164 nan 8.370 nan 0.000 0.502 329 T N 0.162 114.656 114.554 -0.099 0.000 2.881 329 T HA 0.602 4.951 4.350 -0.000 0.000 0.290 329 T C -1.047 173.547 174.700 -0.178 0.000 1.000 329 T CA -0.288 61.743 62.100 -0.114 0.000 0.978 329 T CB 1.919 70.736 68.868 -0.085 0.000 0.997 329 T HN -0.119 nan 8.240 nan 0.000 0.443 330 T N 2.481 116.820 114.554 -0.357 0.000 2.807 330 T HA 0.681 5.031 4.350 -0.000 0.000 0.279 330 T C -0.450 173.885 174.700 -0.608 0.000 0.993 330 T CA -0.594 61.205 62.100 -0.503 0.000 0.970 330 T CB 1.518 69.946 68.868 -0.734 0.000 0.950 330 T HN 0.644 nan 8.240 nan 0.000 0.441 331 T N 2.910 117.252 114.554 -0.355 0.000 2.937 331 T HA 0.645 4.995 4.350 -0.000 0.000 0.297 331 T C -0.525 174.082 174.700 -0.156 0.000 0.991 331 T CA -0.931 61.016 62.100 -0.254 0.000 0.990 331 T CB 0.260 69.031 68.868 -0.162 0.000 0.991 331 T HN 0.653 nan 8.240 nan 0.000 0.440 332 I N 2.644 123.148 120.570 -0.109 0.000 2.498 332 I HA 0.787 4.956 4.170 -0.000 0.000 0.301 332 I C -1.221 174.876 176.117 -0.034 0.000 0.984 332 I CA -1.363 59.908 61.300 -0.048 0.000 1.204 332 I CB 1.496 39.495 38.000 -0.001 0.000 1.362 332 I HN 0.603 nan 8.210 nan 0.000 0.471 333 I N 4.454 125.005 120.570 -0.031 0.000 2.466 333 I HA 0.327 4.497 4.170 -0.000 0.000 0.289 333 I C -0.832 175.269 176.117 -0.027 0.000 1.026 333 I CA -0.398 60.885 61.300 -0.029 0.000 1.078 333 I CB 1.553 39.533 38.000 -0.033 0.000 1.249 333 I HN 0.733 nan 8.210 nan 0.000 0.429 334 D N 4.938 125.324 120.400 -0.022 0.000 3.437 334 D HA -0.113 4.527 4.640 -0.000 0.000 0.243 334 D C -0.027 176.258 176.300 -0.024 0.000 1.104 334 D CA 0.791 54.777 54.000 -0.023 0.000 1.009 334 D CB -0.126 40.658 40.800 -0.028 0.000 0.937 334 D HN 0.823 nan 8.370 nan 0.000 0.417 335 G N 0.925 109.716 108.800 -0.016 0.000 2.432 335 G HA2 0.400 4.360 3.960 -0.000 0.000 0.257 335 G HA3 0.400 4.360 3.960 -0.000 0.000 0.257 335 G C 1.372 176.262 174.900 -0.017 0.000 1.238 335 G CA -0.354 44.738 45.100 -0.013 0.000 0.838 335 G HN 0.306 nan 8.290 nan 0.000 0.547 336 V N 2.488 122.389 119.914 -0.021 0.000 3.444 336 V HA 0.039 4.158 4.120 -0.000 0.000 0.271 336 V C 2.067 178.155 176.094 -0.009 0.000 1.188 336 V CA 0.743 63.031 62.300 -0.021 0.000 1.168 336 V CB -1.023 30.782 31.823 -0.031 0.000 0.810 336 V HN 0.796 nan 8.190 nan 0.000 0.500 337 G N 0.918 109.715 108.800 -0.004 0.000 2.321 337 G HA2 0.092 4.051 3.960 -0.000 0.000 0.237 337 G HA3 0.092 4.051 3.960 -0.000 0.000 0.237 337 G C 0.065 174.964 174.900 -0.001 0.000 1.282 337 G CA -0.257 44.844 45.100 0.001 0.000 0.886 337 G HN 0.266 nan 8.290 nan 0.000 0.528 338 E N 1.398 121.598 120.200 0.000 0.000 2.437 338 E HA -0.020 4.329 4.350 -0.000 0.000 0.263 338 E C 1.282 177.881 176.600 -0.002 0.000 1.030 338 E CA -0.220 56.180 56.400 -0.001 0.000 0.934 338 E CB 0.748 30.448 29.700 0.000 0.000 0.943 338 E HN 0.525 nan 8.360 nan 0.000 0.444 339 E N 1.745 121.943 120.200 -0.002 0.000 2.150 339 E HA -0.143 4.207 4.350 -0.000 0.000 0.193 339 E C 1.641 178.240 176.600 -0.002 0.000 0.985 339 E CA 1.204 57.603 56.400 -0.003 0.000 0.814 339 E CB -0.093 29.605 29.700 -0.003 0.000 0.752 339 E HN 0.550 nan 8.360 nan 0.000 0.466 340 A N 1.284 124.103 122.820 -0.002 0.000 1.873 340 A HA -0.063 4.257 4.320 -0.000 0.000 0.215 340 A C 2.415 179.998 177.584 -0.002 0.000 1.186 340 A CA 2.026 54.062 52.037 -0.002 0.000 0.616 340 A CB -0.626 18.373 19.000 -0.001 0.000 0.823 340 A HN 0.266 nan 8.150 nan 0.000 0.442 341 A N -0.131 122.689 122.820 -0.001 0.000 1.902 341 A HA -0.072 4.248 4.320 -0.000 0.000 0.217 341 A C 2.116 179.699 177.584 -0.001 0.000 1.181 341 A CA 1.595 53.632 52.037 -0.001 0.000 0.623 341 A CB -0.613 18.387 19.000 0.001 0.000 0.818 341 A HN 0.499 nan 8.150 nan 0.000 0.443 342 I N -0.923 119.646 120.570 -0.001 0.000 2.286 342 I HA -0.215 3.955 4.170 -0.000 0.000 0.245 342 I C 2.576 178.692 176.117 -0.003 0.000 1.104 342 I CA 1.019 62.319 61.300 -0.001 0.000 1.397 342 I CB -0.297 37.703 38.000 -0.000 0.000 1.072 342 I HN 0.207 nan 8.210 nan 0.000 0.417 343 Q N 0.809 120.607 119.800 -0.003 0.000 2.170 343 Q HA -0.089 4.251 4.340 -0.000 0.000 0.203 343 Q C 2.308 178.305 176.000 -0.004 0.000 0.976 343 Q CA 1.609 57.410 55.803 -0.003 0.000 0.858 343 Q CB -0.978 27.758 28.738 -0.003 0.000 0.907 343 Q HN 0.569 nan 8.270 nan 0.000 0.433 344 G N 0.029 108.827 108.800 -0.004 0.000 2.418 344 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.217 344 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.217 344 G C 1.671 176.568 174.900 -0.006 0.000 1.158 344 G CA 0.783 45.880 45.100 -0.004 0.000 0.771 344 G HN 0.274 nan 8.290 nan 0.000 0.545 345 R N -0.210 120.286 120.500 -0.006 0.000 2.148 345 R HA 0.116 4.456 4.340 -0.000 0.000 0.223 345 R C 2.544 178.839 176.300 -0.009 0.000 1.088 345 R CA 0.674 56.770 56.100 -0.008 0.000 0.985 345 R CB -0.432 29.863 30.300 -0.007 0.000 0.880 345 R HN 0.238 nan 8.270 nan 0.000 0.451 346 V N 0.267 120.177 119.914 -0.007 0.000 2.270 346 V HA -0.192 3.928 4.120 -0.000 0.000 0.245 346 V C 2.230 178.319 176.094 -0.009 0.000 1.043 346 V CA 1.973 64.268 62.300 -0.008 0.000 1.014 346 V CB -0.746 31.073 31.823 -0.006 0.000 0.645 346 V HN 0.504 nan 8.190 nan 0.000 0.447 347 A N -1.198 121.618 122.820 -0.007 0.000 1.972 347 A HA -0.289 4.031 4.320 -0.000 0.000 0.219 347 A C 2.156 179.735 177.584 -0.008 0.000 1.169 347 A CA 1.922 53.954 52.037 -0.007 0.000 0.635 347 A CB -0.462 18.534 19.000 -0.006 0.000 0.810 347 A HN 0.644 nan 8.150 nan 0.000 0.446 348 Q N -0.693 119.101 119.800 -0.009 0.000 2.079 348 Q HA -0.093 4.247 4.340 -0.000 0.000 0.200 348 Q C 1.959 177.951 176.000 -0.013 0.000 0.974 348 Q CA 1.651 57.447 55.803 -0.011 0.000 0.840 348 Q CB -0.232 28.499 28.738 -0.011 0.000 0.898 348 Q HN 0.790 nan 8.270 nan 0.000 0.430 349 I N -0.192 120.370 120.570 -0.015 0.000 2.406 349 I HA -0.179 3.991 4.170 -0.000 0.000 0.249 349 I C 2.286 178.393 176.117 -0.017 0.000 1.122 349 I CA 0.419 61.708 61.300 -0.018 0.000 1.431 349 I CB -0.218 37.770 38.000 -0.021 0.000 1.087 349 I HN 0.069 nan 8.210 nan 0.000 0.424 350 R N 0.833 121.325 120.500 -0.014 0.000 2.103 350 R HA -0.248 4.091 4.340 -0.000 0.000 0.242 350 R C 2.180 178.474 176.300 -0.011 0.000 1.142 350 R CA 1.649 57.742 56.100 -0.012 0.000 0.960 350 R CB -0.700 29.594 30.300 -0.010 0.000 0.858 350 R HN 0.534 nan 8.270 nan 0.000 0.439 351 Q N 0.919 120.713 119.800 -0.010 0.000 1.975 351 Q HA -0.225 4.115 4.340 -0.000 0.000 0.205 351 Q C 2.018 178.011 176.000 -0.011 0.000 0.990 351 Q CA 1.781 57.578 55.803 -0.009 0.000 0.845 351 Q CB -0.053 28.679 28.738 -0.009 0.000 0.913 351 Q HN 0.403 nan 8.270 nan 0.000 0.420 352 Q N -0.120 119.672 119.800 -0.013 0.000 2.389 352 Q HA -0.181 4.159 4.340 -0.000 0.000 0.213 352 Q C 1.904 177.895 176.000 -0.015 0.000 0.989 352 Q CA 1.144 56.938 55.803 -0.015 0.000 0.891 352 Q CB -0.165 28.562 28.738 -0.019 0.000 0.923 352 Q HN 0.509 nan 8.270 nan 0.000 0.455 353 I N 1.043 121.604 120.570 -0.016 0.000 2.676 353 I HA -0.228 3.942 4.170 -0.000 0.000 0.259 353 I C 2.475 178.585 176.117 -0.011 0.000 1.194 353 I CA 0.873 62.164 61.300 -0.016 0.000 1.473 353 I CB -0.421 37.569 38.000 -0.017 0.000 1.096 353 I HN 0.296 nan 8.210 nan 0.000 0.443 354 E N 1.526 121.721 120.200 -0.008 0.000 2.267 354 E HA -0.278 4.072 4.350 -0.000 0.000 0.197 354 E C 1.514 178.112 176.600 -0.003 0.000 0.998 354 E CA 1.254 57.651 56.400 -0.005 0.000 0.830 354 E CB -0.057 29.640 29.700 -0.005 0.000 0.751 354 E HN 0.471 nan 8.360 nan 0.000 0.491 355 E N 1.425 121.623 120.200 -0.004 0.000 2.021 355 E HA -0.080 4.270 4.350 -0.000 0.000 0.200 355 E C 1.123 177.726 176.600 0.003 0.000 1.015 355 E CA 2.095 58.495 56.400 -0.000 0.000 0.824 355 E CB -0.471 29.229 29.700 -0.001 0.000 0.762 355 E HN 0.467 nan 8.360 nan 0.000 0.454 356 A N -0.593 122.230 122.820 0.004 0.000 2.783 356 A HA -0.282 4.037 4.320 -0.000 0.000 0.292 356 A C 1.392 178.986 177.584 0.016 0.000 1.495 356 A CA 1.237 53.280 52.037 0.010 0.000 0.787 356 A CB -2.453 16.551 19.000 0.007 0.000 1.017 356 A HN 0.314 nan 8.150 nan 0.000 0.516 357 T N -1.000 113.566 114.554 0.019 0.000 2.867 357 T HA 0.217 4.566 4.350 -0.000 0.000 0.268 357 T C 0.950 175.671 174.700 0.035 0.000 1.057 357 T CA 1.627 63.741 62.100 0.023 0.000 1.136 357 T CB -0.025 68.857 68.868 0.023 0.000 0.874 357 T HN 1.584 nan 8.240 nan 0.000 0.466 358 S N -0.577 115.153 115.700 0.050 0.000 2.541 358 S HA 0.319 4.789 4.470 -0.000 0.000 0.271 358 S C -0.688 173.959 174.600 0.078 0.000 1.133 358 S CA -0.728 57.516 58.200 0.073 0.000 0.876 358 S CB 1.766 65.032 63.200 0.109 0.000 1.105 358 S HN -0.007 nan 8.310 nan 0.000 0.470 359 D N 1.179 121.626 120.400 0.079 0.000 2.309 359 D HA 0.016 4.656 4.640 -0.000 0.000 0.212 359 D C 1.114 177.469 176.300 0.091 0.000 0.968 359 D CA 1.071 55.111 54.000 0.066 0.000 0.882 359 D CB -0.075 40.760 40.800 0.058 0.000 0.918 359 D HN 0.595 nan 8.370 nan 0.000 0.503 360 Y N 1.246 121.549 120.300 0.004 0.000 2.153 360 Y HA -0.136 4.414 4.550 -0.000 0.000 0.289 360 Y C 1.416 177.315 175.900 -0.001 0.000 1.127 360 Y CA 1.652 59.755 58.100 0.005 0.000 1.131 360 Y CB -0.214 38.250 38.460 0.007 0.000 0.995 360 Y HN -0.109 nan 8.280 nan 0.000 0.505 361 D N -0.571 119.848 120.400 0.032 0.000 2.144 361 D HA -0.134 4.506 4.640 -0.000 0.000 0.200 361 D C 2.142 178.388 176.300 -0.090 0.000 0.978 361 D CA 1.148 55.115 54.000 -0.056 0.000 0.833 361 D CB -0.172 40.650 40.800 0.037 0.000 0.961 361 D HN 0.193 nan 8.370 nan 0.000 0.470 362 R N 0.657 121.128 120.500 -0.048 0.000 2.148 362 R HA -0.104 4.235 4.340 -0.000 0.000 0.227 362 R C 1.935 178.194 176.300 -0.067 0.000 1.103 362 R CA 0.921 56.995 56.100 -0.044 0.000 0.983 362 R CB 0.098 30.389 30.300 -0.016 0.000 0.874 362 R HN 0.276 nan 8.270 nan 0.000 0.451 363 E N 0.082 120.222 120.200 -0.099 0.000 2.122 363 E HA -0.155 4.195 4.350 -0.000 0.000 0.190 363 E C 1.522 178.028 176.600 -0.157 0.000 0.977 363 E CA 0.813 57.148 56.400 -0.108 0.000 0.820 363 E CB 0.262 29.905 29.700 -0.096 0.000 0.770 363 E HN -0.014 nan 8.360 nan 0.000 0.462 364 K N 0.403 120.644 120.400 -0.265 0.000 2.155 364 K HA 0.016 4.336 4.320 -0.000 0.000 0.203 364 K C 2.006 178.512 176.600 -0.157 0.000 1.052 364 K CA 0.636 56.760 56.287 -0.273 0.000 0.948 364 K CB 0.022 32.248 32.500 -0.456 0.000 0.728 364 K HN 0.148 nan 8.250 nan 0.000 0.448 365 L N -0.102 121.045 121.223 -0.127 0.000 2.240 365 L HA -0.081 4.259 4.340 -0.000 0.000 0.211 365 L C 2.287 179.121 176.870 -0.060 0.000 1.106 365 L CA 0.680 55.472 54.840 -0.080 0.000 0.793 365 L CB -0.293 41.728 42.059 -0.063 0.000 0.927 365 L HN 0.168 nan 8.230 nan 0.000 0.446 366 Q N 0.991 120.753 119.800 -0.063 0.000 2.119 366 Q HA -0.209 4.131 4.340 -0.000 0.000 0.201 366 Q C 1.905 177.883 176.000 -0.037 0.000 0.972 366 Q CA 1.644 57.421 55.803 -0.044 0.000 0.847 366 Q CB -0.005 28.709 28.738 -0.041 0.000 0.903 366 Q HN 0.465 nan 8.270 nan 0.000 0.433 367 E N -0.610 119.562 120.200 -0.047 0.000 2.150 367 E HA -0.133 4.217 4.350 -0.000 0.000 0.193 367 E C 2.071 178.658 176.600 -0.021 0.000 0.985 367 E CA 0.819 57.200 56.400 -0.032 0.000 0.814 367 E CB -0.014 29.663 29.700 -0.038 0.000 0.752 367 E HN 0.296 nan 8.360 nan 0.000 0.466 368 R N 0.263 120.744 120.500 -0.030 0.000 2.115 368 R HA -0.056 4.284 4.340 -0.000 0.000 0.226 368 R C 2.361 178.653 176.300 -0.014 0.000 1.100 368 R CA 0.722 56.809 56.100 -0.022 0.000 0.980 368 R CB -0.103 30.176 30.300 -0.035 0.000 0.875 368 R HN 0.036 nan 8.270 nan 0.000 0.445 369 V N 1.063 120.966 119.914 -0.018 0.000 2.270 369 V HA -0.236 3.884 4.120 -0.000 0.000 0.245 369 V C 2.471 178.561 176.094 -0.007 0.000 1.043 369 V CA 2.003 64.295 62.300 -0.013 0.000 1.014 369 V CB -0.778 31.036 31.823 -0.016 0.000 0.645 369 V HN 0.381 nan 8.190 nan 0.000 0.447 370 A N -0.099 122.717 122.820 -0.007 0.000 1.892 370 A HA -0.251 4.069 4.320 -0.000 0.000 0.218 370 A C 2.289 179.875 177.584 0.004 0.000 1.188 370 A CA 1.981 54.017 52.037 -0.003 0.000 0.631 370 A CB -0.507 18.491 19.000 -0.003 0.000 0.822 370 A HN 0.424 nan 8.150 nan 0.000 0.447 371 K N -0.910 119.496 120.400 0.010 0.000 2.032 371 K HA -0.125 4.194 4.320 -0.000 0.000 0.209 371 K C 1.925 178.537 176.600 0.021 0.000 1.048 371 K CA 1.321 57.622 56.287 0.024 0.000 0.927 371 K CB -0.802 31.724 32.500 0.043 0.000 0.712 371 K HN 0.440 nan 8.250 nan 0.000 0.441 372 L N 0.552 121.783 121.223 0.014 0.000 2.034 372 L HA 0.034 4.374 4.340 -0.000 0.000 0.203 372 L C 2.119 178.993 176.870 0.006 0.000 1.074 372 L CA 1.892 56.739 54.840 0.012 0.000 0.748 372 L CB -0.872 41.191 42.059 0.006 0.000 0.905 372 L HN 0.124 nan 8.230 nan 0.000 0.439 373 A N -1.162 121.659 122.820 0.002 0.000 2.123 373 A HA 0.146 4.466 4.320 -0.000 0.000 0.214 373 A C 2.159 179.742 177.584 -0.001 0.000 1.152 373 A CA 0.898 52.934 52.037 -0.001 0.000 0.728 373 A CB -1.109 17.889 19.000 -0.003 0.000 0.814 373 A HN 0.501 nan 8.150 nan 0.000 0.464 374 G N -0.598 108.202 108.800 -0.000 0.000 2.448 374 G HA2 0.362 4.322 3.960 -0.000 0.000 0.218 374 G HA3 0.362 4.322 3.960 -0.000 0.000 0.218 374 G C 1.115 176.013 174.900 -0.003 0.000 1.135 374 G CA 0.668 45.767 45.100 -0.001 0.000 0.784 374 G HN 1.578 nan 8.290 nan 0.000 0.543 375 G N -1.562 107.237 108.800 -0.001 0.000 2.804 375 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.230 375 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.230 375 G C -0.589 174.307 174.900 -0.008 0.000 1.386 375 G CA -0.249 44.849 45.100 -0.003 0.000 0.875 375 G HN 0.945 nan 8.290 nan 0.000 0.557 376 V N 0.386 120.293 119.914 -0.012 0.000 2.540 376 V HA 0.742 4.861 4.120 -0.000 0.000 0.302 376 V C 0.726 176.808 176.094 -0.019 0.000 1.035 376 V CA -0.059 62.230 62.300 -0.018 0.000 0.873 376 V CB 1.626 33.435 31.823 -0.024 0.000 0.992 376 V HN 2.015 nan 8.190 nan 0.000 0.428 377 A N 4.483 127.290 122.820 -0.021 0.000 2.252 377 A HA 0.715 5.035 4.320 -0.000 0.000 0.309 377 A C -0.247 177.323 177.584 -0.024 0.000 1.285 377 A CA -0.410 51.614 52.037 -0.020 0.000 0.900 377 A CB 0.869 19.858 19.000 -0.019 0.000 1.157 377 A HN 1.340 nan 8.150 nan 0.000 0.536 378 V N 1.963 121.864 119.914 -0.022 0.000 2.481 378 V HA 0.735 4.855 4.120 -0.000 0.000 0.286 378 V C -0.364 175.718 176.094 -0.020 0.000 1.042 378 V CA -0.606 61.680 62.300 -0.023 0.000 0.928 378 V CB 0.998 32.808 31.823 -0.022 0.000 0.986 378 V HN 0.595 nan 8.190 nan 0.000 0.462 379 I N 5.103 125.661 120.570 -0.020 0.000 2.359 379 I HA 0.427 4.597 4.170 -0.000 0.000 0.284 379 I C 0.241 176.349 176.117 -0.015 0.000 1.018 379 I CA -0.494 60.797 61.300 -0.016 0.000 1.173 379 I CB 1.278 39.268 38.000 -0.016 0.000 1.326 379 I HN 0.618 nan 8.210 nan 0.000 0.462 380 K N 5.614 126.006 120.400 -0.013 0.000 2.316 380 K HA 0.386 4.706 4.320 -0.000 0.000 0.289 380 K C -0.646 175.949 176.600 -0.010 0.000 1.070 380 K CA -0.455 55.825 56.287 -0.012 0.000 0.928 380 K CB 1.652 34.145 32.500 -0.012 0.000 1.039 380 K HN 0.315 nan 8.250 nan 0.000 0.480 381 V N 2.970 122.879 119.914 -0.009 0.000 2.383 381 V HA 0.263 4.383 4.120 -0.000 0.000 0.275 381 V C 0.705 176.795 176.094 -0.006 0.000 1.036 381 V CA -0.602 61.694 62.300 -0.007 0.000 0.889 381 V CB 1.280 33.099 31.823 -0.006 0.000 0.985 381 V HN 0.907 nan 8.190 nan 0.000 0.459 382 G N 3.185 111.982 108.800 -0.006 0.000 2.410 382 G HA2 0.837 4.797 3.960 -0.000 0.000 0.330 382 G HA3 0.837 4.797 3.960 -0.000 0.000 0.330 382 G C -0.496 174.401 174.900 -0.005 0.000 1.142 382 G CA 0.152 45.248 45.100 -0.005 0.000 0.902 382 G HN 1.188 nan 8.290 nan 0.000 0.491 383 A N -0.457 122.360 122.820 -0.005 0.000 2.536 383 A HA 0.795 5.114 4.320 -0.000 0.000 0.293 383 A C 0.769 178.350 177.584 -0.004 0.000 1.119 383 A CA 0.423 52.458 52.037 -0.004 0.000 0.654 383 A CB 0.383 19.381 19.000 -0.004 0.000 1.291 383 A HN 1.774 nan 8.150 nan 0.000 0.439 384 A N -0.781 122.037 122.820 -0.004 0.000 1.935 384 A HA 0.472 4.792 4.320 -0.000 0.000 0.214 384 A C 1.263 178.844 177.584 -0.004 0.000 1.178 384 A CA 2.248 54.283 52.037 -0.004 0.000 0.640 384 A CB -0.393 18.605 19.000 -0.003 0.000 0.825 384 A HN 2.061 nan 8.150 nan 0.000 0.447 385 T N -2.556 111.996 114.554 -0.004 0.000 2.906 385 T HA 0.373 4.722 4.350 -0.000 0.000 0.295 385 T C 0.572 175.269 174.700 -0.004 0.000 1.061 385 T CA 0.075 62.173 62.100 -0.004 0.000 1.000 385 T CB 1.718 70.584 68.868 -0.003 0.000 1.103 385 T HN 0.325 nan 8.240 nan 0.000 0.486 386 E N 1.562 121.760 120.200 -0.004 0.000 2.070 386 E HA -0.141 4.209 4.350 -0.000 0.000 0.197 386 E C 1.891 178.488 176.600 -0.004 0.000 1.004 386 E CA 1.990 58.388 56.400 -0.004 0.000 0.805 386 E CB -0.187 29.511 29.700 -0.004 0.000 0.744 386 E HN 0.594 nan 8.360 nan 0.000 0.451 387 V N 1.117 121.029 119.914 -0.004 0.000 2.392 387 V HA -0.263 3.856 4.120 -0.000 0.000 0.249 387 V C 2.403 178.495 176.094 -0.003 0.000 1.059 387 V CA 2.319 64.617 62.300 -0.004 0.000 1.051 387 V CB -0.669 31.152 31.823 -0.004 0.000 0.658 387 V HN 0.355 nan 8.190 nan 0.000 0.455 388 E N -0.693 119.505 120.200 -0.003 0.000 2.158 388 E HA -0.171 4.179 4.350 -0.000 0.000 0.191 388 E C 2.159 178.757 176.600 -0.003 0.000 0.982 388 E CA 0.981 57.379 56.400 -0.003 0.000 0.823 388 E CB -0.012 29.686 29.700 -0.003 0.000 0.766 388 E HN 0.551 nan 8.360 nan 0.000 0.468 389 M N 0.546 120.144 119.600 -0.003 0.000 2.171 389 M HA -0.073 4.407 4.480 -0.000 0.000 0.260 389 M C 1.946 178.244 176.300 -0.003 0.000 1.087 389 M CA 1.278 56.576 55.300 -0.003 0.000 1.154 389 M CB -0.164 32.434 32.600 -0.004 0.000 1.331 389 M HN -0.127 nan 8.290 nan 0.000 0.431 390 K N 0.308 120.706 120.400 -0.003 0.000 2.362 390 K HA -0.203 4.117 4.320 -0.000 0.000 0.202 390 K C 1.892 178.491 176.600 -0.001 0.000 1.045 390 K CA 1.145 57.431 56.287 -0.003 0.000 0.936 390 K CB -0.080 32.419 32.500 -0.003 0.000 0.747 390 K HN 0.417 nan 8.250 nan 0.000 0.467 391 E N 1.341 121.541 120.200 -0.001 0.000 2.030 391 E HA -0.155 4.195 4.350 -0.000 0.000 0.189 391 E C 1.814 178.414 176.600 0.000 0.000 0.974 391 E CA 1.115 57.515 56.400 -0.001 0.000 0.807 391 E CB 0.049 29.748 29.700 -0.002 0.000 0.771 391 E HN 0.109 nan 8.360 nan 0.000 0.451 392 K N 1.129 121.528 120.400 -0.001 0.000 2.074 392 K HA -0.223 4.097 4.320 -0.000 0.000 0.209 392 K C 2.361 178.961 176.600 0.001 0.000 1.048 392 K CA 1.864 58.151 56.287 -0.000 0.000 0.926 392 K CB -0.158 32.341 32.500 -0.002 0.000 0.713 392 K HN -0.037 nan 8.250 nan 0.000 0.444 393 K N 0.158 120.558 120.400 0.000 0.000 2.034 393 K HA -0.231 4.089 4.320 -0.000 0.000 0.214 393 K C 1.982 178.585 176.600 0.006 0.000 1.051 393 K CA 1.749 58.036 56.287 0.001 0.000 0.931 393 K CB -0.317 32.183 32.500 -0.001 0.000 0.715 393 K HN 0.245 nan 8.250 nan 0.000 0.446 394 A N 1.317 124.141 122.820 0.008 0.000 1.908 394 A HA -0.204 4.116 4.320 -0.000 0.000 0.218 394 A C 2.195 179.790 177.584 0.018 0.000 1.181 394 A CA 1.774 53.819 52.037 0.014 0.000 0.627 394 A CB -0.606 18.401 19.000 0.011 0.000 0.818 394 A HN 0.437 nan 8.150 nan 0.000 0.445 395 R N -0.672 119.835 120.500 0.012 0.000 2.096 395 R HA -0.080 4.260 4.340 -0.000 0.000 0.235 395 R C 1.988 178.297 176.300 0.015 0.000 1.127 395 R CA 1.513 57.621 56.100 0.012 0.000 0.968 395 R CB -0.336 29.967 30.300 0.006 0.000 0.861 395 R HN 0.359 nan 8.270 nan 0.000 0.440 396 V N 0.971 120.892 119.914 0.011 0.000 2.295 396 V HA -0.230 3.890 4.120 -0.000 0.000 0.246 396 V C 1.943 178.047 176.094 0.016 0.000 1.049 396 V CA 1.927 64.232 62.300 0.009 0.000 1.024 396 V CB -0.415 31.409 31.823 0.001 0.000 0.648 396 V HN 0.404 nan 8.190 nan 0.000 0.447 397 E N -0.274 119.939 120.200 0.021 0.000 2.130 397 E HA -0.258 4.092 4.350 -0.000 0.000 0.196 397 E C 1.972 178.627 176.600 0.092 0.000 0.998 397 E CA 1.470 57.890 56.400 0.034 0.000 0.806 397 E CB -0.167 29.558 29.700 0.041 0.000 0.738 397 E HN 0.621 nan 8.360 nan 0.000 0.459 398 D N 0.106 120.555 120.400 0.082 0.000 2.097 398 D HA -0.132 4.507 4.640 -0.000 0.000 0.195 398 D C 1.921 178.276 176.300 0.091 0.000 0.989 398 D CA 1.324 55.378 54.000 0.090 0.000 0.827 398 D CB -0.115 40.711 40.800 0.043 0.000 0.966 398 D HN 0.157 nan 8.370 nan 0.000 0.456 399 A N 0.932 123.785 122.820 0.055 0.000 1.898 399 A HA -0.097 4.223 4.320 -0.000 0.000 0.216 399 A C 2.317 179.929 177.584 0.046 0.000 1.181 399 A CA 0.723 52.785 52.037 0.042 0.000 0.620 399 A CB -0.818 18.196 19.000 0.022 0.000 0.819 399 A HN 0.224 nan 8.150 nan 0.000 0.442 400 L N -1.207 120.035 121.223 0.032 0.000 1.990 400 L HA -0.265 4.075 4.340 -0.000 0.000 0.213 400 L C 2.655 179.534 176.870 0.015 0.000 1.072 400 L CA 2.106 56.946 54.840 0.000 0.000 0.755 400 L CB -0.466 41.568 42.059 -0.042 0.000 0.889 400 L HN 0.507 nan 8.230 nan 0.000 0.432 401 H N -0.286 118.784 119.070 -0.000 0.000 2.252 401 H HA -0.222 4.334 4.556 -0.000 0.000 0.292 401 H C 2.111 177.441 175.328 0.004 0.000 1.082 401 H CA 1.942 57.991 56.048 0.002 0.000 1.229 401 H CB -0.413 29.349 29.762 0.002 0.000 1.353 401 H HN 0.538 nan 8.280 nan 0.000 0.488 402 A N -0.265 122.651 122.820 0.160 0.000 2.070 402 A HA -0.141 4.179 4.320 -0.000 0.000 0.220 402 A C 2.637 180.257 177.584 0.059 0.000 1.159 402 A CA 1.937 54.024 52.037 0.083 0.000 0.656 402 A CB -0.656 18.375 19.000 0.052 0.000 0.800 402 A HN 0.475 nan 8.150 nan 0.000 0.453 403 T N -0.410 114.175 114.554 0.052 0.000 2.732 403 T HA -0.092 4.258 4.350 -0.000 0.000 0.261 403 T C 2.027 176.745 174.700 0.030 0.000 1.040 403 T CA 1.311 63.429 62.100 0.031 0.000 1.145 403 T CB -0.216 68.664 68.868 0.019 0.000 0.866 403 T HN 0.535 nan 8.240 nan 0.000 0.427 404 R N 1.122 121.641 120.500 0.031 0.000 2.127 404 R HA -0.011 4.329 4.340 -0.000 0.000 0.238 404 R C 2.548 178.871 176.300 0.039 0.000 1.134 404 R CA 1.281 57.397 56.100 0.025 0.000 0.975 404 R CB -0.340 29.968 30.300 0.013 0.000 0.865 404 R HN 0.336 nan 8.270 nan 0.000 0.447 405 A N 0.556 123.409 122.820 0.055 0.000 2.072 405 A HA 0.138 4.458 4.320 -0.000 0.000 0.216 405 A C 2.167 179.773 177.584 0.037 0.000 1.156 405 A CA 1.045 53.113 52.037 0.052 0.000 0.701 405 A CB -0.102 18.936 19.000 0.062 0.000 0.816 405 A HN 0.348 nan 8.150 nan 0.000 0.458 406 A N -0.502 122.337 122.820 0.032 0.000 1.903 406 A HA 0.135 4.455 4.320 -0.000 0.000 0.213 406 A C 2.075 179.672 177.584 0.021 0.000 1.185 406 A CA 1.295 53.347 52.037 0.025 0.000 0.628 406 A CB -0.774 18.240 19.000 0.023 0.000 0.830 406 A HN 0.297 nan 8.150 nan 0.000 0.446 407 V N 0.446 120.371 119.914 0.020 0.000 2.380 407 V HA -0.309 3.811 4.120 -0.000 0.000 0.251 407 V C 2.400 178.504 176.094 0.017 0.000 1.063 407 V CA 2.456 64.766 62.300 0.016 0.000 1.055 407 V CB -0.789 31.042 31.823 0.013 0.000 0.657 407 V HN 0.633 nan 8.190 nan 0.000 0.455 408 E N -0.626 119.586 120.200 0.020 0.000 2.076 408 E HA -0.110 4.240 4.350 -0.000 0.000 0.190 408 E C 1.640 178.252 176.600 0.019 0.000 0.979 408 E CA 1.132 57.544 56.400 0.021 0.000 0.807 408 E CB 0.089 29.805 29.700 0.026 0.000 0.761 408 E HN 0.639 nan 8.360 nan 0.000 0.454 409 E N -0.897 119.315 120.200 0.020 0.000 2.789 409 E HA 0.207 4.557 4.350 -0.000 0.000 0.217 409 E C 0.009 176.620 176.600 0.018 0.000 0.970 409 E CA 0.098 56.509 56.400 0.019 0.000 1.201 409 E CB 1.665 31.376 29.700 0.020 0.000 1.069 409 E HN 0.241 nan 8.360 nan 0.000 0.499 410 G N 1.220 110.031 108.800 0.018 0.000 2.741 410 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.222 410 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.222 410 G C -0.240 174.672 174.900 0.019 0.000 1.364 410 G CA -0.401 44.709 45.100 0.018 0.000 0.866 410 G HN 0.499 nan 8.290 nan 0.000 0.555 411 V N -2.626 117.299 119.914 0.019 0.000 3.074 411 V HA 1.005 5.125 4.120 -0.000 0.000 0.314 411 V C 0.556 176.662 176.094 0.020 0.000 1.117 411 V CA 0.222 62.533 62.300 0.019 0.000 1.014 411 V CB 1.438 33.271 31.823 0.017 0.000 1.057 411 V HN 2.549 nan 8.190 nan 0.000 0.438 412 V N -1.358 118.568 119.914 0.021 0.000 3.206 412 V HA 0.967 5.086 4.120 -0.000 0.000 0.305 412 V C 0.346 176.454 176.094 0.023 0.000 1.257 412 V CA -0.806 61.508 62.300 0.023 0.000 1.057 412 V CB 1.157 32.995 31.823 0.024 0.000 1.075 412 V HN 2.314 nan 8.190 nan 0.000 0.443 413 A N 0.840 123.677 122.820 0.028 0.000 2.550 413 A HA 0.435 4.755 4.320 -0.000 0.000 0.263 413 A C 1.434 179.029 177.584 0.019 0.000 1.065 413 A CA 0.681 52.733 52.037 0.026 0.000 0.786 413 A CB -0.556 18.467 19.000 0.037 0.000 0.985 413 A HN 2.143 nan 8.150 nan 0.000 0.518 414 G N 2.160 110.965 108.800 0.009 0.000 2.920 414 G HA2 0.239 4.199 3.960 -0.000 0.000 0.208 414 G HA3 0.239 4.199 3.960 -0.000 0.000 0.208 414 G C 0.874 175.777 174.900 0.005 0.000 1.159 414 G CA 0.666 45.770 45.100 0.006 0.000 0.784 414 G HN 1.133 nan 8.290 nan 0.000 0.535 415 G N -0.263 108.541 108.800 0.008 0.000 3.496 415 G HA2 0.407 4.367 3.960 -0.000 0.000 0.273 415 G HA3 0.407 4.367 3.960 -0.000 0.000 0.273 415 G C 1.196 176.112 174.900 0.027 0.000 1.279 415 G CA 0.241 45.349 45.100 0.013 0.000 1.041 415 G HN 1.074 nan 8.290 nan 0.000 0.539 416 G N -0.835 107.979 108.800 0.023 0.000 2.166 416 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.260 416 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.260 416 G C 1.249 176.168 174.900 0.032 0.000 0.986 416 G CA 0.632 45.748 45.100 0.026 0.000 0.683 416 G HN 0.535 nan 8.290 nan 0.000 0.527 417 V N 0.606 120.540 119.914 0.034 0.000 2.270 417 V HA -0.027 4.093 4.120 -0.000 0.000 0.245 417 V C 3.278 179.397 176.094 0.042 0.000 1.043 417 V CA 2.833 65.158 62.300 0.042 0.000 1.014 417 V CB -1.358 30.489 31.823 0.039 0.000 0.645 417 V HN 0.986 nan 8.190 nan 0.000 0.447 418 A N 0.239 123.081 122.820 0.036 0.000 1.896 418 A HA -0.261 4.059 4.320 -0.000 0.000 0.220 418 A C 2.218 179.821 177.584 0.033 0.000 1.206 418 A CA 2.289 54.347 52.037 0.035 0.000 0.647 418 A CB -0.792 18.225 19.000 0.029 0.000 0.828 418 A HN 0.388 nan 8.150 nan 0.000 0.455 419 L N -0.330 120.911 121.223 0.029 0.000 2.042 419 L HA -0.140 4.200 4.340 -0.000 0.000 0.210 419 L C 2.450 179.337 176.870 0.028 0.000 1.076 419 L CA 1.527 56.383 54.840 0.027 0.000 0.749 419 L CB -0.961 41.113 42.059 0.025 0.000 0.893 419 L HN 0.402 nan 8.230 nan 0.000 0.432 420 I N -0.933 119.657 120.570 0.032 0.000 2.394 420 I HA -0.283 3.887 4.170 -0.000 0.000 0.251 420 I C 2.631 178.771 176.117 0.037 0.000 1.136 420 I CA 0.739 62.060 61.300 0.034 0.000 1.425 420 I CB -0.385 37.639 38.000 0.039 0.000 1.079 420 I HN 0.311 nan 8.210 nan 0.000 0.425 421 R N 1.365 121.891 120.500 0.043 0.000 2.070 421 R HA -0.157 4.183 4.340 -0.000 0.000 0.232 421 R C 2.383 178.704 176.300 0.034 0.000 1.138 421 R CA 2.351 58.478 56.100 0.046 0.000 0.936 421 R CB -0.710 29.621 30.300 0.052 0.000 0.839 421 R HN 0.285 nan 8.270 nan 0.000 0.429 422 V N -1.028 118.903 119.914 0.029 0.000 2.392 422 V HA -0.123 3.997 4.120 -0.000 0.000 0.249 422 V C 2.181 178.287 176.094 0.020 0.000 1.059 422 V CA 1.933 64.247 62.300 0.023 0.000 1.051 422 V CB -1.355 30.480 31.823 0.020 0.000 0.658 422 V HN 0.401 nan 8.190 nan 0.000 0.455 423 A N 1.346 124.178 122.820 0.021 0.000 2.019 423 A HA -0.126 4.194 4.320 -0.000 0.000 0.219 423 A C 2.539 180.133 177.584 0.017 0.000 1.164 423 A CA 2.363 54.410 52.037 0.018 0.000 0.644 423 A CB -0.858 18.153 19.000 0.018 0.000 0.805 423 A HN 0.999 nan 8.150 nan 0.000 0.449 424 S N -0.535 115.177 115.700 0.021 0.000 2.446 424 S HA -0.020 4.450 4.470 -0.000 0.000 0.225 424 S C 1.796 176.407 174.600 0.017 0.000 1.016 424 S CA 0.817 59.029 58.200 0.020 0.000 0.943 424 S CB -0.169 63.046 63.200 0.026 0.000 0.786 424 S HN 0.568 nan 8.310 nan 0.000 0.508 425 K N 1.482 121.893 120.400 0.018 0.000 1.985 425 K HA 0.008 4.327 4.320 -0.000 0.000 0.210 425 K C 0.912 177.519 176.600 0.011 0.000 1.047 425 K CA 1.295 57.591 56.287 0.015 0.000 0.932 425 K CB -0.678 31.832 32.500 0.016 0.000 0.716 425 K HN 0.474 nan 8.250 nan 0.000 0.439 426 L N -0.189 121.040 121.223 0.011 0.000 2.955 426 L HA 0.302 4.642 4.340 -0.000 0.000 0.238 426 L C 1.133 178.008 176.870 0.008 0.000 1.359 426 L CA -0.097 54.748 54.840 0.009 0.000 1.214 426 L CB 0.074 42.137 42.059 0.008 0.000 1.600 426 L HN -0.063 nan 8.230 nan 0.000 0.442 427 A N -1.097 121.727 122.820 0.008 0.000 2.206 427 A HA -0.012 4.308 4.320 -0.000 0.000 0.211 427 A C 1.634 179.221 177.584 0.005 0.000 1.158 427 A CA 0.657 52.699 52.037 0.007 0.000 0.761 427 A CB -0.162 18.842 19.000 0.007 0.000 0.801 427 A HN 0.454 nan 8.150 nan 0.000 0.473 428 D N -0.887 119.516 120.400 0.005 0.000 2.346 428 D HA 0.088 4.728 4.640 -0.000 0.000 0.206 428 D C 0.419 176.721 176.300 0.004 0.000 1.001 428 D CA -0.115 53.887 54.000 0.004 0.000 0.871 428 D CB -0.164 40.638 40.800 0.003 0.000 0.943 428 D HN 0.288 nan 8.370 nan 0.000 0.518 429 L N 1.914 123.139 121.223 0.004 0.000 2.653 429 L HA -0.074 4.266 4.340 -0.000 0.000 0.288 429 L C 0.379 177.251 176.870 0.003 0.000 1.243 429 L CA 0.897 55.739 54.840 0.004 0.000 0.906 429 L CB 0.046 42.107 42.059 0.004 0.000 1.154 429 L HN -0.162 nan 8.230 nan 0.000 0.498 430 R N 2.817 123.319 120.500 0.003 0.000 2.912 430 R HA 0.804 5.144 4.340 -0.000 0.000 0.262 430 R C -0.037 176.265 176.300 0.002 0.000 1.057 430 R CA -0.292 55.810 56.100 0.002 0.000 0.981 430 R CB 1.407 31.709 30.300 0.002 0.000 1.201 430 R HN 0.775 nan 8.270 nan 0.000 0.484 431 G N -0.205 108.596 108.800 0.002 0.000 3.262 431 G HA2 0.347 4.307 3.960 -0.000 0.000 0.229 431 G HA3 0.347 4.307 3.960 -0.000 0.000 0.229 431 G C -0.273 174.628 174.900 0.002 0.000 1.280 431 G CA -0.135 44.967 45.100 0.002 0.000 0.951 431 G HN 0.322 nan 8.290 nan 0.000 0.589 432 Q N -0.410 119.391 119.800 0.002 0.000 2.263 432 Q HA 0.157 4.497 4.340 -0.000 0.000 0.196 432 Q C 1.182 177.183 176.000 0.001 0.000 0.965 432 Q CA 0.113 55.917 55.803 0.001 0.000 0.851 432 Q CB -0.164 28.575 28.738 0.001 0.000 0.948 432 Q HN 0.545 nan 8.270 nan 0.000 0.516 433 N N 1.163 119.864 118.700 0.002 0.000 2.454 433 N HA -0.075 4.665 4.740 -0.000 0.000 0.254 433 N C 0.642 176.153 175.510 0.002 0.000 1.228 433 N CA 0.011 53.062 53.050 0.002 0.000 0.900 433 N CB 0.611 39.099 38.487 0.002 0.000 1.089 433 N HN 0.304 nan 8.380 nan 0.000 0.449 434 E N 1.790 121.991 120.200 0.002 0.000 2.333 434 E HA -0.211 4.139 4.350 -0.000 0.000 0.198 434 E C 0.231 176.832 176.600 0.002 0.000 1.007 434 E CA 1.200 57.601 56.400 0.002 0.000 0.845 434 E CB 0.143 29.844 29.700 0.001 0.000 0.766 434 E HN 0.555 nan 8.360 nan 0.000 0.507 435 D N 0.876 121.277 120.400 0.002 0.000 2.183 435 D HA -0.126 4.514 4.640 -0.000 0.000 0.203 435 D C 1.779 178.081 176.300 0.003 0.000 0.969 435 D CA 0.859 54.861 54.000 0.003 0.000 0.842 435 D CB -0.090 40.712 40.800 0.003 0.000 0.957 435 D HN 0.356 nan 8.370 nan 0.000 0.484 436 Q N 0.004 119.805 119.800 0.003 0.000 2.230 436 Q HA -0.075 4.265 4.340 -0.000 0.000 0.202 436 Q C 1.644 177.646 176.000 0.003 0.000 0.963 436 Q CA 0.573 56.378 55.803 0.003 0.000 0.866 436 Q CB 0.237 28.977 28.738 0.003 0.000 0.931 436 Q HN 0.162 nan 8.270 nan 0.000 0.452 437 N N -0.227 118.475 118.700 0.003 0.000 2.039 437 N HA -0.152 4.588 4.740 -0.000 0.000 0.193 437 N C 1.831 177.343 175.510 0.004 0.000 1.044 437 N CA 1.291 54.343 53.050 0.003 0.000 0.847 437 N CB -0.629 37.860 38.487 0.003 0.000 1.030 437 N HN 0.037 nan 8.380 nan 0.000 0.422 438 V N 1.249 121.165 119.914 0.004 0.000 2.313 438 V HA -0.265 3.855 4.120 -0.000 0.000 0.253 438 V C 2.428 178.525 176.094 0.005 0.000 1.070 438 V CA 2.176 64.479 62.300 0.004 0.000 1.057 438 V CB -1.421 30.404 31.823 0.004 0.000 0.653 438 V HN 0.424 nan 8.190 nan 0.000 0.450 439 G N -0.220 108.583 108.800 0.005 0.000 2.440 439 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.218 439 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.218 439 G C 1.498 176.401 174.900 0.006 0.000 1.154 439 G CA 1.352 46.456 45.100 0.006 0.000 0.767 439 G HN 0.550 nan 8.290 nan 0.000 0.552 440 I N -0.038 120.535 120.570 0.005 0.000 2.193 440 I HA -0.030 4.140 4.170 -0.000 0.000 0.240 440 I C 2.675 178.796 176.117 0.006 0.000 1.084 440 I CA 0.939 62.242 61.300 0.005 0.000 1.365 440 I CB -0.197 37.806 38.000 0.005 0.000 1.064 440 I HN -0.093 nan 8.210 nan 0.000 0.410 441 K N 0.971 121.374 120.400 0.006 0.000 2.089 441 K HA -0.138 4.182 4.320 -0.000 0.000 0.210 441 K C 2.049 178.653 176.600 0.006 0.000 1.048 441 K CA 1.138 57.428 56.287 0.006 0.000 0.926 441 K CB -0.948 31.555 32.500 0.005 0.000 0.714 441 K HN 0.131 nan 8.250 nan 0.000 0.448 442 V N 0.677 120.594 119.914 0.007 0.000 2.231 442 V HA -0.319 3.801 4.120 -0.000 0.000 0.248 442 V C 2.234 178.333 176.094 0.009 0.000 1.054 442 V CA 2.296 64.600 62.300 0.007 0.000 1.015 442 V CB -0.858 30.970 31.823 0.008 0.000 0.638 442 V HN 0.409 nan 8.190 nan 0.000 0.444 443 A N -0.952 121.873 122.820 0.009 0.000 1.972 443 A HA -0.126 4.193 4.320 -0.000 0.000 0.219 443 A C 2.201 179.791 177.584 0.010 0.000 1.169 443 A CA 1.631 53.674 52.037 0.010 0.000 0.635 443 A CB -0.468 18.537 19.000 0.009 0.000 0.810 443 A HN 0.501 nan 8.150 nan 0.000 0.446 444 L N -1.393 119.836 121.223 0.009 0.000 1.961 444 L HA -0.203 4.137 4.340 -0.000 0.000 0.210 444 L C 2.782 179.659 176.870 0.011 0.000 1.072 444 L CA 1.908 56.754 54.840 0.010 0.000 0.749 444 L CB -0.574 41.491 42.059 0.009 0.000 0.889 444 L HN 0.377 nan 8.230 nan 0.000 0.432 445 R N -0.220 120.286 120.500 0.009 0.000 2.153 445 R HA -0.247 4.093 4.340 -0.000 0.000 0.252 445 R C 2.179 178.486 176.300 0.010 0.000 1.158 445 R CA 1.731 57.836 56.100 0.009 0.000 0.975 445 R CB -0.340 29.964 30.300 0.007 0.000 0.871 445 R HN 0.454 nan 8.270 nan 0.000 0.450 446 A N -0.252 122.575 122.820 0.011 0.000 2.067 446 A HA -0.120 4.200 4.320 -0.000 0.000 0.219 446 A C 1.966 179.558 177.584 0.014 0.000 1.158 446 A CA 1.145 53.190 52.037 0.013 0.000 0.661 446 A CB -0.271 18.737 19.000 0.014 0.000 0.801 446 A HN 0.306 nan 8.150 nan 0.000 0.452 447 M N -0.580 119.029 119.600 0.015 0.000 2.492 447 M HA -0.052 4.428 4.480 -0.000 0.000 0.262 447 M C 1.087 177.398 176.300 0.018 0.000 1.090 447 M CA 0.816 56.126 55.300 0.017 0.000 1.110 447 M CB -0.112 32.498 32.600 0.017 0.000 1.407 447 M HN 0.439 nan 8.290 nan 0.000 0.470 448 E N 0.370 120.580 120.200 0.015 0.000 2.502 448 E HA 0.041 4.391 4.350 -0.000 0.000 0.194 448 E C 1.730 178.337 176.600 0.013 0.000 1.062 448 E CA 0.236 56.645 56.400 0.015 0.000 0.867 448 E CB 0.066 29.773 29.700 0.012 0.000 0.888 448 E HN 0.447 nan 8.360 nan 0.000 0.510 449 A N 2.450 125.278 122.820 0.013 0.000 1.840 449 A HA -0.041 4.279 4.320 -0.000 0.000 0.214 449 A C -0.268 177.324 177.584 0.013 0.000 1.198 449 A CA 0.792 52.836 52.037 0.011 0.000 0.608 449 A CB -1.263 17.744 19.000 0.012 0.000 0.839 449 A HN 0.110 nan 8.150 nan 0.000 0.443 450 P HA -0.156 nan 4.420 nan 0.000 0.214 450 P C 1.791 179.102 177.300 0.019 0.000 1.163 450 P CA 1.016 64.126 63.100 0.016 0.000 0.883 450 P CB -0.102 31.609 31.700 0.018 0.000 0.788 451 L N -0.436 120.800 121.223 0.022 0.000 1.970 451 L HA -0.191 4.149 4.340 -0.000 0.000 0.212 451 L C 2.464 179.344 176.870 0.016 0.000 1.071 451 L CA 1.979 56.836 54.840 0.027 0.000 0.751 451 L CB -0.687 41.392 42.059 0.032 0.000 0.889 451 L HN -0.278 nan 8.230 nan 0.000 0.432 452 R N -1.070 119.434 120.500 0.007 0.000 2.139 452 R HA -0.252 4.088 4.340 -0.000 0.000 0.243 452 R C 2.312 178.611 176.300 -0.001 0.000 1.145 452 R CA 1.750 57.848 56.100 -0.004 0.000 0.976 452 R CB -0.286 30.012 30.300 -0.003 0.000 0.866 452 R HN 0.476 nan 8.270 nan 0.000 0.449 453 Q N 0.516 120.319 119.800 0.006 0.000 2.020 453 Q HA -0.050 4.290 4.340 -0.000 0.000 0.198 453 Q C 1.832 177.839 176.000 0.012 0.000 0.974 453 Q CA 1.500 57.307 55.803 0.007 0.000 0.829 453 Q CB -0.082 28.661 28.738 0.008 0.000 0.894 453 Q HN 0.239 nan 8.270 nan 0.000 0.433 454 I N 0.034 120.616 120.570 0.020 0.000 2.113 454 I HA -0.321 3.849 4.170 -0.000 0.000 0.242 454 I C 2.183 178.325 176.117 0.042 0.000 1.064 454 I CA 1.425 62.743 61.300 0.031 0.000 1.320 454 I CB -1.204 36.822 38.000 0.044 0.000 1.028 454 I HN 0.102 nan 8.210 nan 0.000 0.406 455 V N 0.810 120.747 119.914 0.039 0.000 2.324 455 V HA -0.279 3.841 4.120 -0.000 0.000 0.250 455 V C 2.530 178.628 176.094 0.007 0.000 1.060 455 V CA 1.850 64.162 62.300 0.020 0.000 1.042 455 V CB -0.605 31.177 31.823 -0.069 0.000 0.650 455 V HN 0.333 nan 8.190 nan 0.000 0.450 456 L N 0.434 121.658 121.223 0.001 0.000 2.072 456 L HA -0.076 4.264 4.340 -0.000 0.000 0.205 456 L C 2.159 179.033 176.870 0.006 0.000 1.079 456 L CA 1.690 56.529 54.840 -0.001 0.000 0.752 456 L CB -0.707 41.351 42.059 -0.003 0.000 0.906 456 L HN 0.306 nan 8.230 nan 0.000 0.436 457 N N -1.097 117.609 118.700 0.010 0.000 2.503 457 N HA -0.187 4.553 4.740 -0.000 0.000 0.189 457 N C 1.449 176.967 175.510 0.013 0.000 1.048 457 N CA 1.451 54.507 53.050 0.010 0.000 0.905 457 N CB -0.601 37.892 38.487 0.010 0.000 0.951 457 N HN 0.448 nan 8.380 nan 0.000 0.446 458 C N -1.731 117.582 119.300 0.021 0.000 2.912 458 C HA 0.408 4.868 4.460 -0.000 0.000 0.274 458 C C 1.627 176.630 174.990 0.021 0.000 1.248 458 C CA 0.047 59.082 59.018 0.027 0.000 1.694 458 C CB -0.536 27.237 27.740 0.055 0.000 2.024 458 C HN 0.546 nan 8.230 nan 0.000 0.605 459 G N 1.465 110.273 108.800 0.013 0.000 2.136 459 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.242 459 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.242 459 G C -0.386 174.518 174.900 0.006 0.000 0.989 459 G CA 0.036 45.141 45.100 0.008 0.000 0.682 459 G HN 0.487 nan 8.290 nan 0.000 0.522 460 E N 0.860 121.061 120.200 0.001 0.000 2.214 460 E HA 0.351 4.701 4.350 -0.000 0.000 0.274 460 E C 0.415 176.992 176.600 -0.038 0.000 0.977 460 E CA -0.742 55.647 56.400 -0.018 0.000 0.827 460 E CB 0.797 30.480 29.700 -0.029 0.000 1.130 460 E HN 0.412 nan 8.360 nan 0.000 0.394 461 E N 3.046 123.221 120.200 -0.041 0.000 2.606 461 E HA -0.051 4.299 4.350 -0.000 0.000 0.248 461 E C -1.672 174.888 176.600 -0.067 0.000 1.005 461 E CA -0.839 55.536 56.400 -0.042 0.000 0.946 461 E CB 0.338 30.017 29.700 -0.035 0.000 0.928 461 E HN 0.226 nan 8.360 nan 0.000 0.494 462 P HA -0.128 nan 4.420 nan 0.000 0.215 462 P C 1.490 178.758 177.300 -0.053 0.000 1.160 462 P CA 0.976 64.040 63.100 -0.060 0.000 0.869 462 P CB 0.090 31.769 31.700 -0.034 0.000 0.782 463 S N -0.064 115.616 115.700 -0.034 0.000 2.390 463 S HA -0.219 4.251 4.470 -0.000 0.000 0.234 463 S C 2.072 176.654 174.600 -0.030 0.000 1.063 463 S CA 2.039 60.224 58.200 -0.025 0.000 1.108 463 S CB -2.019 61.170 63.200 -0.018 0.000 0.975 463 S HN -0.048 nan 8.310 nan 0.000 0.442 464 V N 1.345 121.236 119.914 -0.038 0.000 2.270 464 V HA -0.107 4.013 4.120 -0.000 0.000 0.245 464 V C 2.648 178.716 176.094 -0.045 0.000 1.043 464 V CA 1.622 63.901 62.300 -0.035 0.000 1.014 464 V CB -0.687 31.119 31.823 -0.029 0.000 0.645 464 V HN 0.458 nan 8.190 nan 0.000 0.447 465 V N 0.207 120.061 119.914 -0.100 0.000 2.332 465 V HA -0.294 3.826 4.120 -0.000 0.000 0.248 465 V C 2.665 178.735 176.094 -0.040 0.000 1.055 465 V CA 2.134 64.352 62.300 -0.136 0.000 1.038 465 V CB -1.037 30.501 31.823 -0.476 0.000 0.651 465 V HN 0.576 nan 8.190 nan 0.000 0.450 466 A N 0.624 123.418 122.820 -0.043 0.000 1.858 466 A HA -0.326 3.994 4.320 -0.000 0.000 0.216 466 A C 2.057 179.646 177.584 0.008 0.000 1.190 466 A CA 2.418 54.451 52.037 -0.007 0.000 0.617 466 A CB -1.022 17.972 19.000 -0.009 0.000 0.827 466 A HN 0.696 nan 8.150 nan 0.000 0.443 467 N N -0.423 118.274 118.700 -0.004 0.000 2.091 467 N HA -0.217 4.523 4.740 -0.000 0.000 0.193 467 N C 1.760 177.269 175.510 -0.002 0.000 1.021 467 N CA 3.210 56.258 53.050 -0.003 0.000 0.862 467 N CB -0.478 38.002 38.487 -0.012 0.000 1.018 467 N HN 0.522 nan 8.380 nan 0.000 0.429 468 T N -2.093 112.449 114.554 -0.019 0.000 2.896 468 T HA 0.003 4.353 4.350 -0.000 0.000 0.263 468 T C 1.934 176.649 174.700 0.024 0.000 1.050 468 T CA 1.232 63.299 62.100 -0.055 0.000 1.140 468 T CB -0.754 67.980 68.868 -0.223 0.000 0.877 468 T HN 0.019 nan 8.240 nan 0.000 0.457 469 V N 2.223 122.180 119.914 0.072 0.000 2.282 469 V HA -0.214 3.906 4.120 -0.000 0.000 0.249 469 V C 2.887 179.062 176.094 0.135 0.000 1.057 469 V CA 2.180 64.552 62.300 0.120 0.000 1.032 469 V CB -0.674 31.213 31.823 0.106 0.000 0.645 469 V HN 0.539 nan 8.190 nan 0.000 0.447 470 K N 0.228 120.676 120.400 0.081 0.000 2.103 470 K HA -0.152 4.168 4.320 -0.000 0.000 0.207 470 K C 2.129 178.768 176.600 0.064 0.000 1.048 470 K CA 1.547 57.872 56.287 0.064 0.000 0.930 470 K CB -0.654 31.867 32.500 0.036 0.000 0.716 470 K HN 0.599 nan 8.250 nan 0.000 0.444 471 G N 0.798 109.635 108.800 0.060 0.000 2.625 471 G HA2 -0.059 3.900 3.960 -0.000 0.000 0.214 471 G HA3 -0.059 3.900 3.960 -0.000 0.000 0.214 471 G C 0.749 175.671 174.900 0.037 0.000 1.132 471 G CA 0.623 45.745 45.100 0.036 0.000 0.782 471 G HN 0.354 nan 8.290 nan 0.000 0.538 472 G N -1.030 107.839 108.800 0.116 0.000 2.641 472 G HA2 0.524 4.484 3.960 -0.000 0.000 0.239 472 G HA3 0.524 4.484 3.960 -0.000 0.000 0.239 472 G C -1.059 173.875 174.900 0.057 0.000 1.402 472 G CA -0.444 44.694 45.100 0.062 0.000 1.046 472 G HN 0.122 nan 8.290 nan 0.000 0.565 473 D N -1.987 118.444 120.400 0.052 0.000 2.602 473 D HA 0.486 5.126 4.640 -0.000 0.000 0.236 473 D C 0.751 177.101 176.300 0.083 0.000 1.209 473 D CA 0.636 54.663 54.000 0.046 0.000 0.831 473 D CB 2.063 42.860 40.800 -0.005 0.000 1.478 473 D HN 0.882 nan 8.370 nan 0.000 0.438 474 G N 1.773 110.612 108.800 0.066 0.000 2.634 474 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.309 474 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.309 474 G C 0.404 175.362 174.900 0.098 0.000 1.265 474 G CA 0.062 45.203 45.100 0.069 0.000 0.998 474 G HN 0.573 nan 8.290 nan 0.000 0.551 475 N N 0.551 119.313 118.700 0.102 0.000 2.389 475 N HA 0.165 4.905 4.740 -0.000 0.000 0.237 475 N C -0.127 175.482 175.510 0.164 0.000 1.148 475 N CA 0.109 53.224 53.050 0.108 0.000 0.854 475 N CB 0.073 38.604 38.487 0.073 0.000 1.115 475 N HN 0.448 nan 8.380 nan 0.000 0.492 476 Y N 0.927 121.258 120.300 0.052 0.000 2.377 476 Y HA 0.469 5.019 4.550 0.000 0.000 0.330 476 Y C 0.775 176.738 175.900 0.106 0.000 1.108 476 Y CA -0.150 57.995 58.100 0.075 0.000 1.308 476 Y CB 0.489 38.988 38.460 0.066 0.000 1.216 476 Y HN 0.121 nan 8.280 nan 0.000 0.518 477 G N 3.830 112.484 108.800 -0.244 0.000 2.706 477 G HA2 0.265 4.224 3.960 -0.000 0.000 0.307 477 G HA3 0.265 4.224 3.960 -0.000 0.000 0.307 477 G C -2.469 172.348 174.900 -0.138 0.000 1.307 477 G CA -0.893 44.112 45.100 -0.159 0.000 0.790 477 G HN 0.538 nan 8.290 nan 0.000 0.503 478 Y N 1.314 121.510 120.300 -0.175 0.000 2.341 478 Y HA 0.644 5.194 4.550 -0.000 0.000 0.337 478 Y C -0.340 175.411 175.900 -0.249 0.000 1.014 478 Y CA -1.361 56.535 58.100 -0.341 0.000 1.111 478 Y CB 1.760 40.030 38.460 -0.318 0.000 1.194 478 Y HN 0.473 nan 8.280 nan 0.000 0.462 479 N N 4.620 122.839 118.700 -0.802 0.000 2.485 479 N HA 0.283 5.023 4.740 -0.000 0.000 0.243 479 N C 0.195 175.187 175.510 -0.864 0.000 0.987 479 N CA 0.271 52.975 53.050 -0.577 0.000 0.940 479 N CB 1.424 39.691 38.487 -0.368 0.000 1.122 479 N HN 0.843 nan 8.380 nan 0.000 0.509 480 A N 3.659 126.154 122.820 -0.542 0.000 2.019 480 A HA -0.004 4.315 4.320 -0.000 0.000 0.219 480 A C 1.995 179.448 177.584 -0.218 0.000 1.164 480 A CA 1.619 53.468 52.037 -0.315 0.000 0.644 480 A CB -0.662 18.343 19.000 0.009 0.000 0.805 480 A HN 0.744 nan 8.150 nan 0.000 0.449 481 A N -0.524 122.178 122.820 -0.197 0.000 1.969 481 A HA -0.044 4.276 4.320 -0.000 0.000 0.218 481 A C 2.263 179.760 177.584 -0.145 0.000 1.169 481 A CA 2.301 54.258 52.037 -0.133 0.000 0.635 481 A CB -0.747 18.191 19.000 -0.105 0.000 0.810 481 A HN 0.824 nan 8.150 nan 0.000 0.445 482 T N -4.095 110.330 114.554 -0.215 0.000 3.010 482 T HA 0.225 4.575 4.350 -0.000 0.000 0.257 482 T C 0.276 174.845 174.700 -0.219 0.000 1.020 482 T CA 0.728 62.720 62.100 -0.180 0.000 0.938 482 T CB -0.228 68.547 68.868 -0.155 0.000 1.049 482 T HN 0.593 nan 8.240 nan 0.000 0.522 483 E N 0.461 120.436 120.200 -0.375 0.000 2.791 483 E HA -0.181 4.169 4.350 -0.000 0.000 0.271 483 E C -0.748 175.638 176.600 -0.357 0.000 1.044 483 E CA 0.702 56.880 56.400 -0.369 0.000 0.814 483 E CB -2.269 27.404 29.700 -0.045 0.000 1.400 483 E HN 0.748 nan 8.360 nan 0.000 0.423 484 E N -0.318 119.600 120.200 -0.471 0.000 2.227 484 E HA 0.503 4.853 4.350 -0.000 0.000 0.268 484 E C -0.677 175.670 176.600 -0.421 0.000 0.907 484 E CA -0.746 55.468 56.400 -0.310 0.000 0.786 484 E CB 1.001 30.628 29.700 -0.122 0.000 1.191 484 E HN 0.077 nan 8.360 nan 0.000 0.411 485 Y N 0.622 120.897 120.300 -0.042 0.000 2.307 485 Y HA 0.640 5.190 4.550 0.000 0.000 0.324 485 Y C 1.080 176.945 175.900 -0.059 0.000 1.238 485 Y CA 0.259 58.285 58.100 -0.124 0.000 1.280 485 Y CB 1.551 39.947 38.460 -0.106 0.000 1.248 485 Y HN 0.649 nan 8.280 nan 0.000 0.508 486 G N 0.795 109.616 108.800 0.035 0.000 2.323 486 G HA2 0.000 3.960 3.960 -0.000 0.000 0.291 486 G HA3 0.000 3.960 3.960 -0.000 0.000 0.291 486 G C -1.951 173.051 174.900 0.171 0.000 1.278 486 G CA -1.185 44.022 45.100 0.178 0.000 0.860 486 G HN 0.555 nan 8.290 nan 0.000 0.504 487 N N 1.101 119.905 118.700 0.173 0.000 2.406 487 N HA 0.125 4.865 4.740 -0.000 0.000 0.251 487 N C 1.717 177.264 175.510 0.063 0.000 1.069 487 N CA -0.572 52.564 53.050 0.144 0.000 0.947 487 N CB 0.774 39.334 38.487 0.121 0.000 1.111 487 N HN 0.410 nan 8.380 nan 0.000 0.497 488 M N 3.501 123.125 119.600 0.041 0.000 2.195 488 M HA -0.180 4.300 4.480 -0.000 0.000 0.260 488 M C 1.665 177.970 176.300 0.008 0.000 1.066 488 M CA 1.292 56.595 55.300 0.004 0.000 1.089 488 M CB -0.554 32.046 32.600 0.000 0.000 1.377 488 M HN 0.577 nan 8.290 nan 0.000 0.411 489 I N 0.416 121.001 120.570 0.024 0.000 2.286 489 I HA -0.258 3.912 4.170 -0.000 0.000 0.245 489 I C 1.974 178.100 176.117 0.015 0.000 1.104 489 I CA 1.119 62.430 61.300 0.018 0.000 1.397 489 I CB -0.397 37.617 38.000 0.024 0.000 1.072 489 I HN 0.205 nan 8.210 nan 0.000 0.417 490 D N 0.658 121.071 120.400 0.022 0.000 2.144 490 D HA -0.162 4.478 4.640 -0.000 0.000 0.199 490 D C 2.093 178.397 176.300 0.007 0.000 0.984 490 D CA 1.422 55.432 54.000 0.018 0.000 0.834 490 D CB -0.221 40.597 40.800 0.029 0.000 0.955 490 D HN 0.353 nan 8.370 nan 0.000 0.465 491 M N -0.437 119.164 119.600 0.000 0.000 2.686 491 M HA 0.117 4.596 4.480 -0.000 0.000 0.246 491 M C 1.085 177.370 176.300 -0.024 0.000 1.096 491 M CA 0.597 55.885 55.300 -0.019 0.000 1.076 491 M CB 0.154 32.730 32.600 -0.041 0.000 1.504 491 M HN 0.029 nan 8.290 nan 0.000 0.524 492 G N 1.734 110.526 108.800 -0.013 0.000 2.198 492 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.260 492 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.260 492 G C -0.084 174.805 174.900 -0.019 0.000 1.025 492 G CA -0.243 44.849 45.100 -0.013 0.000 0.769 492 G HN 0.427 nan 8.290 nan 0.000 0.507 493 I N 1.105 121.662 120.570 -0.022 0.000 2.479 493 I HA 0.438 4.608 4.170 -0.000 0.000 0.279 493 I C 0.199 176.310 176.117 -0.011 0.000 1.102 493 I CA -1.091 60.194 61.300 -0.025 0.000 1.196 493 I CB -0.004 37.969 38.000 -0.046 0.000 1.427 493 I HN 0.243 nan 8.210 nan 0.000 0.503 494 L N 1.947 123.168 121.223 -0.004 0.000 2.386 494 L HA 0.735 5.075 4.340 -0.000 0.000 0.271 494 L C -0.490 176.384 176.870 0.006 0.000 0.993 494 L CA -0.571 54.272 54.840 0.005 0.000 0.819 494 L CB 1.539 43.603 42.059 0.009 0.000 1.294 494 L HN 0.007 nan 8.230 nan 0.000 0.414 495 D N 2.324 122.730 120.400 0.010 0.000 2.210 495 D HA 0.431 5.071 4.640 -0.000 0.000 0.249 495 D C -2.416 173.894 176.300 0.016 0.000 1.062 495 D CA -1.301 52.707 54.000 0.012 0.000 0.891 495 D CB 1.414 42.222 40.800 0.013 0.000 1.186 495 D HN 0.405 nan 8.370 nan 0.000 0.432 496 P HA 0.039 nan 4.420 nan 0.000 0.269 496 P C 0.750 178.063 177.300 0.023 0.000 1.217 496 P CA 0.010 63.123 63.100 0.022 0.000 0.783 496 P CB 0.604 32.320 31.700 0.027 0.000 0.898 497 T N 0.509 115.077 114.554 0.023 0.000 2.812 497 T HA -0.130 4.220 4.350 -0.000 0.000 0.264 497 T C 1.640 176.355 174.700 0.024 0.000 1.042 497 T CA 1.122 63.235 62.100 0.022 0.000 1.140 497 T CB -0.359 68.521 68.868 0.020 0.000 0.870 497 T HN 0.422 nan 8.240 nan 0.000 0.445 498 K N 1.058 121.474 120.400 0.027 0.000 2.015 498 K HA -0.204 4.115 4.320 -0.000 0.000 0.220 498 K C 2.370 178.993 176.600 0.038 0.000 1.055 498 K CA 2.114 58.421 56.287 0.033 0.000 0.951 498 K CB -0.804 31.720 32.500 0.039 0.000 0.725 498 K HN 0.253 nan 8.250 nan 0.000 0.449 499 V N -0.093 119.842 119.914 0.035 0.000 2.332 499 V HA -0.239 3.881 4.120 -0.000 0.000 0.248 499 V C 1.749 177.865 176.094 0.038 0.000 1.055 499 V CA 2.627 64.949 62.300 0.036 0.000 1.038 499 V CB -0.852 30.983 31.823 0.019 0.000 0.651 499 V HN 0.489 nan 8.190 nan 0.000 0.450 500 T N 0.523 115.095 114.554 0.030 0.000 2.746 500 T HA -0.148 4.202 4.350 -0.000 0.000 0.267 500 T C 1.931 176.650 174.700 0.032 0.000 1.039 500 T CA 2.047 64.164 62.100 0.029 0.000 1.142 500 T CB -0.354 68.528 68.868 0.024 0.000 0.866 500 T HN 0.688 nan 8.240 nan 0.000 0.444 501 R N 1.045 121.561 120.500 0.027 0.000 2.061 501 R HA -0.081 4.259 4.340 -0.000 0.000 0.230 501 R C 2.577 178.890 176.300 0.022 0.000 1.140 501 R CA 1.829 57.940 56.100 0.017 0.000 0.940 501 R CB -0.629 29.676 30.300 0.008 0.000 0.839 501 R HN 0.188 nan 8.270 nan 0.000 0.429 502 S N 0.835 116.562 115.700 0.045 0.000 2.378 502 S HA -0.294 4.176 4.470 -0.000 0.000 0.229 502 S C 2.071 176.783 174.600 0.186 0.000 1.052 502 S CA 1.720 59.988 58.200 0.113 0.000 1.084 502 S CB -0.578 62.727 63.200 0.175 0.000 0.950 502 S HN 0.632 nan 8.310 nan 0.000 0.440 503 A N 1.067 123.963 122.820 0.128 0.000 1.892 503 A HA -0.098 4.222 4.320 -0.000 0.000 0.218 503 A C 2.160 179.805 177.584 0.101 0.000 1.188 503 A CA 1.545 53.650 52.037 0.114 0.000 0.631 503 A CB -0.789 18.249 19.000 0.063 0.000 0.822 503 A HN 0.483 nan 8.150 nan 0.000 0.447 504 L N -1.098 120.160 121.223 0.059 0.000 2.093 504 L HA -0.216 4.123 4.340 -0.000 0.000 0.208 504 L C 2.819 179.703 176.870 0.025 0.000 1.085 504 L CA 1.757 56.618 54.840 0.036 0.000 0.755 504 L CB -0.411 41.659 42.059 0.018 0.000 0.904 504 L HN 0.548 nan 8.230 nan 0.000 0.435 505 Q N -1.454 118.341 119.800 -0.009 0.000 2.049 505 Q HA -0.210 4.130 4.340 -0.000 0.000 0.198 505 Q C 2.056 178.012 176.000 -0.073 0.000 0.971 505 Q CA 1.620 57.370 55.803 -0.089 0.000 0.833 505 Q CB -0.114 28.509 28.738 -0.191 0.000 0.896 505 Q HN 0.434 nan 8.270 nan 0.000 0.434 506 Y N 0.294 120.598 120.300 0.006 0.000 2.145 506 Y HA -0.200 4.351 4.550 0.000 0.000 0.286 506 Y C 2.379 178.283 175.900 0.006 0.000 1.145 506 Y CA 1.069 59.172 58.100 0.005 0.000 1.148 506 Y CB -0.714 37.748 38.460 0.004 0.000 0.981 506 Y HN 0.142 nan 8.280 nan 0.000 0.507 507 A N 0.036 122.957 122.820 0.169 0.000 1.917 507 A HA -0.229 4.091 4.320 -0.000 0.000 0.219 507 A C 2.456 180.082 177.584 0.069 0.000 1.182 507 A CA 2.247 54.341 52.037 0.094 0.000 0.633 507 A CB -1.279 17.760 19.000 0.064 0.000 0.819 507 A HN 0.422 nan 8.150 nan 0.000 0.448 508 A N -0.698 122.153 122.820 0.050 0.000 1.897 508 A HA -0.023 4.297 4.320 -0.000 0.000 0.215 508 A C 2.465 180.065 177.584 0.028 0.000 1.181 508 A CA 2.079 54.132 52.037 0.027 0.000 0.620 508 A CB -0.983 18.022 19.000 0.007 0.000 0.821 508 A HN 0.763 nan 8.150 nan 0.000 0.443 509 S N -0.431 115.288 115.700 0.032 0.000 2.363 509 S HA -0.184 4.286 4.470 -0.000 0.000 0.218 509 S C 1.954 176.586 174.600 0.052 0.000 1.035 509 S CA 2.057 60.279 58.200 0.036 0.000 1.043 509 S CB -0.988 62.240 63.200 0.046 0.000 0.986 509 S HN 0.633 nan 8.310 nan 0.000 0.423 510 V N 2.273 122.233 119.914 0.077 0.000 2.324 510 V HA -0.158 3.962 4.120 -0.000 0.000 0.250 510 V C 2.849 178.970 176.094 0.044 0.000 1.060 510 V CA 2.415 64.752 62.300 0.061 0.000 1.042 510 V CB -1.464 30.397 31.823 0.064 0.000 0.650 510 V HN 0.695 nan 8.190 nan 0.000 0.450 511 A N -0.199 122.646 122.820 0.041 0.000 1.883 511 A HA -0.111 4.209 4.320 -0.000 0.000 0.217 511 A C 2.371 179.971 177.584 0.026 0.000 1.186 511 A CA 2.201 54.257 52.037 0.031 0.000 0.624 511 A CB -1.502 17.515 19.000 0.028 0.000 0.822 511 A HN 0.662 nan 8.150 nan 0.000 0.444 512 G N -0.274 108.541 108.800 0.025 0.000 2.480 512 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.216 512 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.216 512 G C 1.377 176.292 174.900 0.024 0.000 1.200 512 G CA 1.156 46.269 45.100 0.021 0.000 0.782 512 G HN 0.330 nan 8.290 nan 0.000 0.554 513 L N 0.470 121.710 121.223 0.028 0.000 2.054 513 L HA -0.201 4.139 4.340 -0.000 0.000 0.220 513 L C 3.055 179.943 176.870 0.030 0.000 1.081 513 L CA 1.811 56.670 54.840 0.030 0.000 0.780 513 L CB -0.588 41.493 42.059 0.036 0.000 0.893 513 L HN 0.295 nan 8.230 nan 0.000 0.438 514 M N -2.089 117.529 119.600 0.030 0.000 2.200 514 M HA -0.158 4.322 4.480 -0.000 0.000 0.265 514 M C 2.201 178.516 176.300 0.026 0.000 1.066 514 M CA 1.448 56.766 55.300 0.029 0.000 1.127 514 M CB -0.342 32.275 32.600 0.028 0.000 1.379 514 M HN 0.172 nan 8.290 nan 0.000 0.420 515 I N 0.239 120.823 120.570 0.023 0.000 2.614 515 I HA -0.188 3.982 4.170 -0.000 0.000 0.258 515 I C 2.060 178.190 176.117 0.022 0.000 1.189 515 I CA 1.263 62.575 61.300 0.020 0.000 1.462 515 I CB -0.378 37.632 38.000 0.017 0.000 1.092 515 I HN 0.362 nan 8.210 nan 0.000 0.442 516 T N -3.913 110.656 114.554 0.024 0.000 3.105 516 T HA 0.152 4.502 4.350 -0.000 0.000 0.253 516 T C 0.738 175.458 174.700 0.033 0.000 1.047 516 T CA -0.228 61.888 62.100 0.026 0.000 0.944 516 T CB -0.486 68.396 68.868 0.024 0.000 1.016 516 T HN -0.028 nan 8.240 nan 0.000 0.544 517 T N 2.828 117.403 114.554 0.035 0.000 2.814 517 T HA 0.228 4.578 4.350 -0.000 0.000 0.297 517 T C 0.666 175.398 174.700 0.054 0.000 0.956 517 T CA -0.289 61.837 62.100 0.044 0.000 1.123 517 T CB 1.085 69.978 68.868 0.041 0.000 0.902 517 T HN 0.137 nan 8.240 nan 0.000 0.528 518 E N 0.659 120.903 120.200 0.073 0.000 2.490 518 E HA 0.182 4.531 4.350 -0.000 0.000 0.209 518 E C 0.046 176.748 176.600 0.170 0.000 0.971 518 E CA 0.089 56.555 56.400 0.109 0.000 0.988 518 E CB 0.724 30.488 29.700 0.107 0.000 1.029 518 E HN 0.565 nan 8.360 nan 0.000 0.496 519 C N 0.698 120.065 119.300 0.112 0.000 3.006 519 C HA 0.642 5.102 4.460 -0.000 0.000 0.359 519 C C -1.433 173.554 174.990 -0.006 0.000 1.103 519 C CA -0.613 58.434 59.018 0.048 0.000 1.286 519 C CB 0.251 28.073 27.740 0.138 0.000 1.694 519 C HN 0.107 nan 8.230 nan 0.000 0.511 520 M N 5.211 124.779 119.600 -0.053 0.000 2.395 520 M HA 0.643 5.123 4.480 -0.000 0.000 0.307 520 M C -1.103 175.251 176.300 0.091 0.000 1.091 520 M CA -0.607 54.739 55.300 0.077 0.000 0.919 520 M CB 2.168 34.911 32.600 0.239 0.000 1.662 520 M HN 0.406 nan 8.290 nan 0.000 0.440 521 V N 1.524 121.453 119.914 0.025 0.000 2.577 521 V HA 0.766 4.885 4.120 -0.000 0.000 0.303 521 V C -0.470 175.553 176.094 -0.118 0.000 1.042 521 V CA -0.336 61.942 62.300 -0.037 0.000 0.872 521 V CB 2.137 33.938 31.823 -0.036 0.000 0.998 521 V HN 0.958 nan 8.190 nan 0.000 0.423 522 T N 2.424 116.858 114.554 -0.200 0.000 2.802 522 T HA 0.399 4.749 4.350 -0.000 0.000 0.311 522 T C -1.270 173.302 174.700 -0.213 0.000 1.405 522 T CA -0.563 61.370 62.100 -0.279 0.000 1.016 522 T CB 1.794 70.326 68.868 -0.559 0.000 1.352 522 T HN 0.656 nan 8.240 nan 0.000 0.498 523 D N 1.544 121.841 120.400 -0.172 0.000 2.400 523 D HA 0.298 4.938 4.640 -0.000 0.000 0.238 523 D C 0.270 176.504 176.300 -0.110 0.000 1.157 523 D CA 0.092 54.024 54.000 -0.113 0.000 0.889 523 D CB 0.387 41.136 40.800 -0.085 0.000 1.199 523 D HN 0.386 nan 8.370 nan 0.000 0.436 524 L N 3.261 124.448 121.223 -0.061 0.000 2.499 524 L HA 0.136 4.476 4.340 -0.000 0.000 0.273 524 L C -1.260 175.589 176.870 -0.036 0.000 1.195 524 L CA -1.484 53.335 54.840 -0.035 0.000 0.882 524 L CB -0.145 41.905 42.059 -0.015 0.000 1.133 524 L HN 0.397 nan 8.230 nan 0.000 0.483 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.091 63.100 -0.015 0.000 0.800 525 P CB 0.000 31.705 31.700 0.008 0.000 0.726