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 3kzu_1_C DATA FIRST_RESID 1 DATA SEQUENCE MRRVVITGLG LVSPLASGVE ETWKRLLAGE SGARRVTEFE VDDLACQIAC DATA SEQUENCE RIPVGDGTNG TFNPDLHMDP KEQRKVDPFI VYAVGAADQA LDDAGWHPEN DATA SEQUENCE DEDQVRTGVL IGSGIGGIEG IVEAGYTLRD KGPRRISPFF IPGRLINLAS DATA SEQUENCE GHVSIKHKLR GPNHSVVTAC ATGTHAIGDA ARLIAFGDAD VMVAGGTESP DATA SEQUENCE VSRISLAGFA ACKALSTERN DDPTAASRPY DEDRDGFVMG EGAGIVVLEE DATA SEQUENCE LEHALARGAK IYAEVIGYGM SGDAFHITAP TESGEGAQRC MVAALKRAGI DATA SEQUENCE VPDEIDYINA HGTSTMADTI ELGAVERVVG EAAAKISMSS TKSSIGHLLG DATA SEQUENCE AAGAAEAVFS TLAIRDNIAP ATLNLDNPAA QTRIDLVPHK PRERKIDVAL DATA SEQUENCE SNSFGFGGTN ASLVLRRYTA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.310 176.300 0.017 0.000 1.140 1 M CA 0.000 55.311 55.300 0.018 0.000 0.988 1 M CB 0.000 32.614 32.600 0.023 0.000 1.302 2 R N 0.980 121.488 120.500 0.013 0.000 2.615 2 R HA 0.605 4.945 4.340 -0.000 0.000 0.270 2 R C -0.001 176.306 176.300 0.012 0.000 1.081 2 R CA -0.655 55.452 56.100 0.011 0.000 1.154 2 R CB 0.971 31.273 30.300 0.004 0.000 1.063 2 R HN 0.510 nan 8.270 nan 0.000 0.519 3 R N 0.470 120.981 120.500 0.018 0.000 2.531 3 R HA 0.319 4.659 4.340 -0.000 0.000 0.273 3 R C -0.667 175.636 176.300 0.006 0.000 1.070 3 R CA -0.413 55.702 56.100 0.025 0.000 1.112 3 R CB 1.057 31.388 30.300 0.052 0.000 1.049 3 R HN 0.245 nan 8.270 nan 0.000 0.508 4 V N 3.437 123.352 119.914 0.002 0.000 2.483 4 V HA 0.342 4.461 4.120 -0.000 0.000 0.297 4 V C -0.290 175.790 176.094 -0.024 0.000 1.027 4 V CA -0.771 61.512 62.300 -0.029 0.000 0.855 4 V CB 1.675 33.472 31.823 -0.042 0.000 0.995 4 V HN 0.598 nan 8.190 nan 0.000 0.424 5 V N 2.772 122.655 119.914 -0.052 0.000 2.919 5 V HA 0.691 4.811 4.120 -0.000 0.000 0.316 5 V C -0.354 175.705 176.094 -0.059 0.000 1.077 5 V CA -0.986 61.284 62.300 -0.050 0.000 0.977 5 V CB 2.170 33.930 31.823 -0.104 0.000 1.039 5 V HN 0.649 nan 8.190 nan 0.000 0.441 6 I N 3.109 123.666 120.570 -0.022 0.000 2.312 6 I HA 0.394 4.564 4.170 -0.000 0.000 0.291 6 I C 1.123 177.301 176.117 0.103 0.000 1.031 6 I CA 0.219 61.517 61.300 -0.004 0.000 1.293 6 I CB 1.773 39.757 38.000 -0.026 0.000 1.403 6 I HN 0.996 nan 8.210 nan 0.000 0.484 7 T N 0.685 115.278 114.554 0.064 0.000 3.043 7 T HA 0.405 4.755 4.350 -0.000 0.000 0.272 7 T C 0.378 175.186 174.700 0.180 0.000 0.990 7 T CA -0.298 61.861 62.100 0.099 0.000 0.897 7 T CB 0.517 69.358 68.868 -0.046 0.000 1.111 7 T HN 0.678 nan 8.240 nan 0.000 0.529 8 G N 0.816 109.691 108.800 0.125 0.000 2.720 8 G HA2 0.628 4.588 3.960 -0.000 0.000 0.295 8 G HA3 0.628 4.588 3.960 -0.000 0.000 0.295 8 G C -2.021 172.820 174.900 -0.098 0.000 1.437 8 G CA -0.927 44.230 45.100 0.095 0.000 0.886 8 G HN 0.335 nan 8.290 nan 0.000 0.509 9 L N 0.335 121.480 121.223 -0.131 0.000 2.401 9 L HA 0.891 5.231 4.340 -0.000 0.000 0.266 9 L C 0.308 177.110 176.870 -0.113 0.000 0.991 9 L CA -0.902 53.804 54.840 -0.222 0.000 0.818 9 L CB 2.691 44.511 42.059 -0.399 0.000 1.321 9 L HN 0.833 nan 8.230 nan 0.000 0.413 10 G N 1.904 110.634 108.800 -0.117 0.000 2.682 10 G HA2 0.725 4.685 3.960 -0.000 0.000 0.300 10 G HA3 0.725 4.685 3.960 -0.000 0.000 0.300 10 G C -2.284 172.555 174.900 -0.101 0.000 1.391 10 G CA -0.391 44.666 45.100 -0.071 0.000 0.990 10 G HN 0.311 nan 8.290 nan 0.000 0.501 11 L N 1.699 122.877 121.223 -0.076 0.000 2.562 11 L HA 0.622 4.962 4.340 -0.000 0.000 0.266 11 L C -1.219 175.592 176.870 -0.099 0.000 0.949 11 L CA -0.601 54.175 54.840 -0.107 0.000 0.879 11 L CB 2.277 44.277 42.059 -0.098 0.000 1.278 11 L HN 0.400 nan 8.230 nan 0.000 0.404 12 V N 4.012 123.817 119.914 -0.181 0.000 2.334 12 V HA 0.815 4.935 4.120 -0.000 0.000 0.281 12 V C -0.030 175.879 176.094 -0.308 0.000 1.016 12 V CA -0.047 62.076 62.300 -0.296 0.000 0.832 12 V CB 1.351 32.848 31.823 -0.544 0.000 0.999 12 V HN 0.892 nan 8.190 nan 0.000 0.439 13 S N 5.045 120.619 115.700 -0.209 0.000 2.667 13 S HA 0.664 5.134 4.470 -0.000 0.000 0.292 13 S C -2.524 172.007 174.600 -0.115 0.000 1.126 13 S CA -1.675 56.444 58.200 -0.136 0.000 0.881 13 S CB 2.449 65.651 63.200 0.003 0.000 1.132 13 S HN 0.327 nan 8.310 nan 0.000 0.492 14 P HA 0.144 nan 4.420 nan 0.000 0.230 14 P C 0.942 178.238 177.300 -0.006 0.000 1.158 14 P CA 0.676 63.751 63.100 -0.042 0.000 0.769 14 P CB -0.015 31.675 31.700 -0.017 0.000 0.807 15 L N -2.590 118.645 121.223 0.020 0.000 2.298 15 L HA 0.315 4.655 4.340 -0.000 0.000 0.209 15 L C 0.951 177.842 176.870 0.036 0.000 1.084 15 L CA 0.150 55.009 54.840 0.031 0.000 0.816 15 L CB -0.094 41.994 42.059 0.047 0.000 0.967 15 L HN -0.114 nan 8.230 nan 0.000 0.460 16 A N -1.167 121.675 122.820 0.036 0.000 2.583 16 A HA 0.420 4.740 4.320 -0.000 0.000 0.292 16 A C -1.036 176.572 177.584 0.040 0.000 1.045 16 A CA -0.424 51.645 52.037 0.053 0.000 0.672 16 A CB 0.971 20.015 19.000 0.075 0.000 1.283 16 A HN -0.175 nan 8.150 nan 0.000 0.419 17 S N 0.210 115.964 115.700 0.090 0.000 2.439 17 S HA 0.638 5.108 4.470 -0.000 0.000 0.282 17 S C 0.228 174.902 174.600 0.123 0.000 1.170 17 S CA 0.921 59.191 58.200 0.116 0.000 1.054 17 S CB 0.097 63.489 63.200 0.320 0.000 0.956 17 S HN 2.595 nan 8.310 nan 0.000 0.490 18 G N 3.058 111.912 108.800 0.090 0.000 2.653 18 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.656 18 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.656 18 G C 0.040 174.995 174.900 0.091 0.000 1.419 18 G CA -0.389 44.769 45.100 0.096 0.000 0.862 18 G HN 0.698 nan 8.290 nan 0.000 0.639 19 V N 1.650 121.610 119.914 0.076 0.000 2.283 19 V HA -0.070 4.050 4.120 -0.000 0.000 0.243 19 V C 2.590 178.772 176.094 0.146 0.000 1.039 19 V CA 2.484 64.829 62.300 0.074 0.000 1.016 19 V CB -0.326 31.494 31.823 -0.005 0.000 0.650 19 V HN 0.757 nan 8.190 nan 0.000 0.449 20 E N -0.059 120.223 120.200 0.137 0.000 2.106 20 E HA -0.209 4.141 4.350 -0.000 0.000 0.192 20 E C 2.185 178.906 176.600 0.202 0.000 0.984 20 E CA 1.092 57.604 56.400 0.187 0.000 0.806 20 E CB -0.145 29.644 29.700 0.148 0.000 0.750 20 E HN 0.589 nan 8.360 nan 0.000 0.458 21 E N 0.609 120.898 120.200 0.149 0.000 2.072 21 E HA -0.087 4.263 4.350 -0.000 0.000 0.191 21 E C 1.964 178.645 176.600 0.134 0.000 0.985 21 E CA 1.390 57.863 56.400 0.121 0.000 0.801 21 E CB -0.274 29.483 29.700 0.096 0.000 0.750 21 E HN 0.078 nan 8.360 nan 0.000 0.452 22 T N 0.242 114.898 114.554 0.170 0.000 2.684 22 T HA -0.180 4.170 4.350 -0.000 0.000 0.267 22 T C 1.389 176.233 174.700 0.240 0.000 1.036 22 T CA 1.359 63.580 62.100 0.202 0.000 1.148 22 T CB -0.578 68.451 68.868 0.268 0.000 0.863 22 T HN 0.440 nan 8.240 nan 0.000 0.436 23 W N 2.186 123.523 121.300 0.061 0.000 2.381 23 W HA -0.107 4.553 4.660 -0.000 0.000 0.301 23 W C 2.359 178.852 176.519 -0.044 0.000 1.205 23 W CA 1.235 58.578 57.345 -0.003 0.000 1.285 23 W CB -0.149 29.336 29.460 0.042 0.000 1.133 23 W HN 0.217 nan 8.180 nan 0.000 0.521 24 K N 0.742 121.189 120.400 0.078 0.000 2.026 24 K HA -0.222 4.097 4.320 -0.000 0.000 0.208 24 K C 2.202 178.731 176.600 -0.118 0.000 1.048 24 K CA 1.755 58.004 56.287 -0.063 0.000 0.929 24 K CB -0.265 32.248 32.500 0.021 0.000 0.713 24 K HN 0.071 nan 8.250 nan 0.000 0.439 25 R N 0.335 120.802 120.500 -0.055 0.000 2.092 25 R HA -0.121 4.218 4.340 -0.000 0.000 0.231 25 R C 2.418 178.641 176.300 -0.128 0.000 1.119 25 R CA 1.180 57.241 56.100 -0.065 0.000 0.970 25 R CB -0.407 29.885 30.300 -0.014 0.000 0.864 25 R HN 0.181 nan 8.270 nan 0.000 0.440 26 L N 1.066 122.182 121.223 -0.178 0.000 1.989 26 L HA -0.164 4.176 4.340 -0.000 0.000 0.211 26 L C 1.914 178.565 176.870 -0.365 0.000 1.071 26 L CA 1.744 56.409 54.840 -0.292 0.000 0.749 26 L CB -0.282 41.508 42.059 -0.447 0.000 0.890 26 L HN 0.144 nan 8.230 nan 0.000 0.431 27 L N -0.794 120.135 121.223 -0.491 0.000 2.291 27 L HA -0.071 4.269 4.340 -0.000 0.000 0.214 27 L C 2.386 179.086 176.870 -0.282 0.000 1.120 27 L CA 0.756 55.305 54.840 -0.485 0.000 0.799 27 L CB -0.759 40.910 42.059 -0.652 0.000 0.925 27 L HN 0.359 nan 8.230 nan 0.000 0.446 28 A N -0.240 122.451 122.820 -0.216 0.000 2.206 28 A HA 0.230 4.550 4.320 -0.000 0.000 0.211 28 A C 1.773 179.291 177.584 -0.109 0.000 1.158 28 A CA 0.814 52.769 52.037 -0.136 0.000 0.761 28 A CB -0.460 18.480 19.000 -0.101 0.000 0.801 28 A HN 0.516 nan 8.150 nan 0.000 0.473 29 G N -0.694 108.032 108.800 -0.124 0.000 2.132 29 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.234 29 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.234 29 G C -0.024 174.838 174.900 -0.062 0.000 0.989 29 G CA 0.362 45.411 45.100 -0.085 0.000 0.676 29 G HN 0.744 nan 8.290 nan 0.000 0.522 30 E N 0.587 120.746 120.200 -0.067 0.000 2.383 30 E HA 0.512 4.862 4.350 -0.000 0.000 0.264 30 E C 0.279 176.858 176.600 -0.035 0.000 1.050 30 E CA 0.249 56.623 56.400 -0.043 0.000 0.896 30 E CB 0.624 30.302 29.700 -0.038 0.000 0.982 30 E HN 0.231 nan 8.360 nan 0.000 0.424 31 S N 1.882 117.570 115.700 -0.019 0.000 2.509 31 S HA 0.466 4.936 4.470 -0.000 0.000 0.297 31 S C 0.625 175.223 174.600 -0.002 0.000 1.118 31 S CA -0.188 58.007 58.200 -0.009 0.000 1.074 31 S CB 1.501 64.699 63.200 -0.003 0.000 1.038 31 S HN 0.633 nan 8.310 nan 0.000 0.498 32 G N 2.209 111.012 108.800 0.004 0.000 2.985 32 G HA2 0.396 4.356 3.960 -0.000 0.000 0.209 32 G HA3 0.396 4.356 3.960 -0.000 0.000 0.209 32 G C 0.444 175.347 174.900 0.006 0.000 1.165 32 G CA 0.276 45.380 45.100 0.006 0.000 0.776 32 G HN 1.010 nan 8.290 nan 0.000 0.541 33 A N 1.014 123.839 122.820 0.008 0.000 2.409 33 A HA 0.702 5.022 4.320 -0.000 0.000 0.262 33 A C 0.526 178.112 177.584 0.003 0.000 1.113 33 A CA -0.434 51.609 52.037 0.010 0.000 0.790 33 A CB 0.182 19.190 19.000 0.015 0.000 1.046 33 A HN 0.614 nan 8.150 nan 0.000 0.496 34 R N 1.924 122.423 120.500 -0.002 0.000 2.710 34 R HA 0.542 4.882 4.340 -0.000 0.000 0.270 34 R C -1.051 175.237 176.300 -0.019 0.000 1.021 34 R CA -1.057 55.037 56.100 -0.010 0.000 0.889 34 R CB 1.112 31.404 30.300 -0.014 0.000 1.243 34 R HN 0.609 nan 8.270 nan 0.000 0.464 35 R N 1.054 121.539 120.500 -0.024 0.000 2.522 35 R HA 0.105 4.445 4.340 -0.000 0.000 0.284 35 R C -0.080 176.176 176.300 -0.074 0.000 1.032 35 R CA -0.234 55.843 56.100 -0.038 0.000 1.049 35 R CB 0.613 30.894 30.300 -0.031 0.000 0.956 35 R HN 0.292 nan 8.270 nan 0.000 0.422 36 V N 3.194 123.038 119.914 -0.117 0.000 2.585 36 V HA -0.037 4.083 4.120 -0.000 0.000 0.296 36 V C 1.504 177.448 176.094 -0.250 0.000 1.035 36 V CA 0.831 62.989 62.300 -0.237 0.000 1.084 36 V CB 1.231 32.811 31.823 -0.406 0.000 0.953 36 V HN 1.019 nan 8.190 nan 0.000 0.483 37 T N -0.295 114.116 114.554 -0.237 0.000 2.975 37 T HA 0.154 4.503 4.350 -0.000 0.000 0.261 37 T C 1.059 175.662 174.700 -0.162 0.000 0.984 37 T CA -0.144 61.861 62.100 -0.159 0.000 0.911 37 T CB 0.197 69.017 68.868 -0.080 0.000 1.127 37 T HN 0.512 nan 8.240 nan 0.000 0.514 38 E N 1.257 121.307 120.200 -0.251 0.000 2.285 38 E HA 0.280 4.630 4.350 -0.000 0.000 0.194 38 E C 0.063 176.694 176.600 0.051 0.000 0.997 38 E CA 0.537 56.889 56.400 -0.081 0.000 0.845 38 E CB -0.052 29.658 29.700 0.017 0.000 0.782 38 E HN 0.834 nan 8.360 nan 0.000 0.491 39 F N -2.048 117.930 119.950 0.047 0.000 2.685 39 F HA 0.572 5.099 4.527 -0.000 0.000 0.315 39 F C -0.487 175.337 175.800 0.041 0.000 1.126 39 F CA -2.010 56.018 58.000 0.046 0.000 0.950 39 F CB 0.765 39.799 39.000 0.056 0.000 1.360 39 F HN -0.414 nan 8.300 nan 0.000 0.469 40 E N 0.511 120.903 120.200 0.320 0.000 2.415 40 E HA 0.375 4.725 4.350 -0.000 0.000 0.263 40 E C 0.184 176.927 176.600 0.238 0.000 0.995 40 E CA 0.399 56.915 56.400 0.193 0.000 0.915 40 E CB 1.087 30.877 29.700 0.150 0.000 0.951 40 E HN 0.853 nan 8.360 nan 0.000 0.449 41 V N 0.461 120.445 119.914 0.117 0.000 3.382 41 V HA 0.240 4.360 4.120 -0.000 0.000 0.296 41 V C 0.747 176.884 176.094 0.072 0.000 1.529 41 V CA -0.016 62.352 62.300 0.114 0.000 1.048 41 V CB 0.548 32.403 31.823 0.054 0.000 0.878 41 V HN 0.428 nan 8.190 nan 0.000 0.442 42 D N 3.103 123.536 120.400 0.055 0.000 2.221 42 D HA -0.142 4.498 4.640 -0.000 0.000 0.204 42 D C 1.543 177.868 176.300 0.041 0.000 0.982 42 D CA 2.052 56.075 54.000 0.039 0.000 0.857 42 D CB -0.045 40.774 40.800 0.031 0.000 0.934 42 D HN 0.853 nan 8.370 nan 0.000 0.475 43 D N -0.492 119.939 120.400 0.052 0.000 2.339 43 D HA -0.029 4.611 4.640 -0.000 0.000 0.217 43 D C 0.563 176.895 176.300 0.052 0.000 1.050 43 D CA -0.084 53.944 54.000 0.046 0.000 0.856 43 D CB -0.256 40.571 40.800 0.044 0.000 0.922 43 D HN 0.169 nan 8.370 nan 0.000 0.518 44 L N 0.226 121.487 121.223 0.063 0.000 2.357 44 L HA 0.530 4.870 4.340 -0.000 0.000 0.273 44 L C 1.604 178.505 176.870 0.051 0.000 1.080 44 L CA -0.742 54.139 54.840 0.068 0.000 0.803 44 L CB 1.577 43.695 42.059 0.099 0.000 1.174 44 L HN -0.122 nan 8.230 nan 0.000 0.443 45 A N 1.224 124.072 122.820 0.046 0.000 1.898 45 A HA -0.116 4.204 4.320 -0.000 0.000 0.216 45 A C 0.981 178.584 177.584 0.031 0.000 1.181 45 A CA 0.809 52.866 52.037 0.034 0.000 0.620 45 A CB -0.258 18.759 19.000 0.029 0.000 0.819 45 A HN 0.689 nan 8.150 nan 0.000 0.442 46 C N 0.263 119.587 119.300 0.040 0.000 2.281 46 C HA 0.618 5.078 4.460 -0.000 0.000 0.325 46 C C 0.702 175.725 174.990 0.055 0.000 1.282 46 C CA -0.497 58.543 59.018 0.036 0.000 1.640 46 C CB 0.075 27.831 27.740 0.027 0.000 2.288 46 C HN 0.627 nan 8.230 nan 0.000 0.507 47 Q N 4.670 124.494 119.800 0.039 0.000 2.179 47 Q HA 0.302 4.642 4.340 -0.000 0.000 0.213 47 Q C 0.120 176.125 176.000 0.009 0.000 0.833 47 Q CA 0.089 55.911 55.803 0.031 0.000 0.990 47 Q CB 0.418 29.167 28.738 0.019 0.000 1.132 47 Q HN 0.902 nan 8.270 nan 0.000 0.493 48 I N -3.288 117.294 120.570 0.020 0.000 2.846 48 I HA 0.969 5.139 4.170 -0.000 0.000 0.307 48 I C -0.904 175.230 176.117 0.029 0.000 1.053 48 I CA -1.297 60.010 61.300 0.011 0.000 1.050 48 I CB 2.084 40.092 38.000 0.012 0.000 1.239 48 I HN -0.153 nan 8.210 nan 0.000 0.439 49 A N 2.649 125.482 122.820 0.022 0.000 2.586 49 A HA 0.649 4.968 4.320 -0.000 0.000 0.290 49 A C -1.669 175.930 177.584 0.025 0.000 1.086 49 A CA -0.552 51.509 52.037 0.040 0.000 0.665 49 A CB 1.258 20.293 19.000 0.058 0.000 1.279 49 A HN 0.828 nan 8.150 nan 0.000 0.423 50 C N 1.746 121.063 119.300 0.029 0.000 2.223 50 C HA 0.651 5.111 4.460 -0.000 0.000 0.324 50 C C 0.471 175.461 174.990 -0.000 0.000 1.196 50 C CA -0.471 58.555 59.018 0.013 0.000 1.628 50 C CB -0.979 26.771 27.740 0.017 0.000 2.229 50 C HN 0.639 nan 8.230 nan 0.000 0.486 51 R N 2.502 122.999 120.500 -0.005 0.000 2.589 51 R HA 0.554 4.894 4.340 -0.000 0.000 0.293 51 R C -0.532 175.747 176.300 -0.035 0.000 0.963 51 R CA -0.655 55.438 56.100 -0.010 0.000 0.905 51 R CB 1.687 31.995 30.300 0.012 0.000 1.144 51 R HN 0.635 nan 8.270 nan 0.000 0.459 52 I N 4.494 125.012 120.570 -0.087 0.000 2.683 52 I HA -0.008 4.162 4.170 -0.000 0.000 0.286 52 I C -1.616 174.502 176.117 0.001 0.000 1.175 52 I CA -1.178 60.056 61.300 -0.110 0.000 1.429 52 I CB 0.280 38.101 38.000 -0.299 0.000 1.371 52 I HN 0.233 nan 8.210 nan 0.000 0.569 53 P HA 0.099 nan 4.420 nan 0.000 0.276 53 P C -0.551 176.824 177.300 0.125 0.000 1.264 53 P CA -0.156 62.983 63.100 0.065 0.000 0.769 53 P CB 0.693 32.426 31.700 0.054 0.000 0.840 54 V N 1.698 121.690 119.914 0.129 0.000 2.617 54 V HA 0.977 5.097 4.120 -0.000 0.000 0.298 54 V C 0.424 176.580 176.094 0.102 0.000 1.048 54 V CA -0.008 62.391 62.300 0.166 0.000 0.964 54 V CB 1.047 32.974 31.823 0.174 0.000 1.004 54 V HN 0.812 nan 8.190 nan 0.000 0.466 55 G N 2.947 111.795 108.800 0.080 0.000 2.450 55 G HA2 0.318 4.277 3.960 -0.000 0.000 0.273 55 G HA3 0.318 4.277 3.960 -0.000 0.000 0.273 55 G C -0.417 174.489 174.900 0.010 0.000 1.221 55 G CA 0.238 45.364 45.100 0.042 0.000 0.900 55 G HN 0.882 nan 8.290 nan 0.000 0.483 56 D N -0.710 119.693 120.400 0.004 0.000 2.340 56 D HA 0.352 4.992 4.640 -0.000 0.000 0.220 56 D C 1.594 177.877 176.300 -0.027 0.000 1.039 56 D CA 1.181 55.170 54.000 -0.018 0.000 0.866 56 D CB 0.225 41.017 40.800 -0.012 0.000 0.913 56 D HN 1.927 nan 8.370 nan 0.000 0.523 57 G N -0.200 108.598 108.800 -0.004 0.000 2.195 57 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.224 57 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.224 57 G C 0.500 175.420 174.900 0.033 0.000 0.990 57 G CA 0.311 45.416 45.100 0.008 0.000 0.639 57 G HN 0.785 nan 8.290 nan 0.000 0.514 58 T N -1.989 112.581 114.554 0.027 0.000 2.881 58 T HA 0.527 4.877 4.350 -0.000 0.000 0.278 58 T C 0.603 175.329 174.700 0.042 0.000 0.982 58 T CA 0.606 62.725 62.100 0.032 0.000 0.989 58 T CB 1.496 70.376 68.868 0.020 0.000 1.058 58 T HN 1.353 nan 8.240 nan 0.000 0.529 59 N N -0.053 118.672 118.700 0.041 0.000 2.716 59 N HA -0.191 4.549 4.740 -0.000 0.000 0.250 59 N C 1.050 176.592 175.510 0.054 0.000 1.033 59 N CA 2.027 55.102 53.050 0.042 0.000 0.727 59 N CB -1.489 37.018 38.487 0.033 0.000 0.950 59 N HN 1.740 nan 8.380 nan 0.000 0.541 60 G N -1.971 106.870 108.800 0.068 0.000 2.168 60 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.263 60 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.263 60 G C 0.305 175.266 174.900 0.102 0.000 0.977 60 G CA 1.420 46.570 45.100 0.084 0.000 0.659 60 G HN 1.427 nan 8.290 nan 0.000 0.533 61 T N -1.839 112.775 114.554 0.101 0.000 2.868 61 T HA 0.584 4.934 4.350 -0.000 0.000 0.292 61 T C 0.008 174.832 174.700 0.206 0.000 1.028 61 T CA -0.506 61.672 62.100 0.129 0.000 1.059 61 T CB 1.939 70.862 68.868 0.091 0.000 0.991 61 T HN 0.886 nan 8.240 nan 0.000 0.531 62 F N 2.656 122.639 119.950 0.056 0.000 2.410 62 F HA 0.510 5.037 4.527 -0.000 0.000 0.349 62 F C -0.098 175.762 175.800 0.099 0.000 1.117 62 F CA -1.457 56.596 58.000 0.087 0.000 1.104 62 F CB 0.834 39.872 39.000 0.063 0.000 1.122 62 F HN 0.682 nan 8.300 nan 0.000 0.483 63 N N 8.434 126.876 118.700 -0.430 0.000 2.569 63 N HA 0.372 5.112 4.740 -0.000 0.000 0.254 63 N C -2.165 172.945 175.510 -0.666 0.000 1.004 63 N CA -2.610 50.188 53.050 -0.420 0.000 0.904 63 N CB 1.705 40.070 38.487 -0.203 0.000 1.165 63 N HN 0.245 nan 8.380 nan 0.000 0.513 64 P HA -0.065 nan 4.420 nan 0.000 0.221 64 P C 0.140 177.325 177.300 -0.191 0.000 1.145 64 P CA 0.944 63.767 63.100 -0.461 0.000 0.795 64 P CB 0.525 32.133 31.700 -0.154 0.000 0.775 65 D N -0.195 120.090 120.400 -0.193 0.000 2.263 65 D HA -0.066 4.574 4.640 -0.000 0.000 0.208 65 D C 1.932 178.123 176.300 -0.182 0.000 0.971 65 D CA 0.687 54.603 54.000 -0.139 0.000 0.867 65 D CB -0.641 40.091 40.800 -0.112 0.000 0.929 65 D HN 0.264 nan 8.370 nan 0.000 0.492 66 L N -0.081 120.958 121.223 -0.306 0.000 2.465 66 L HA -0.068 4.271 4.340 -0.000 0.000 0.224 66 L C 1.735 178.275 176.870 -0.551 0.000 1.145 66 L CA 0.815 55.389 54.840 -0.443 0.000 0.834 66 L CB -0.098 41.618 42.059 -0.571 0.000 0.944 66 L HN 0.195 nan 8.230 nan 0.000 0.451 67 H N -2.166 116.872 119.070 -0.054 0.000 2.927 67 H HA 0.380 4.936 4.556 -0.000 0.000 0.255 67 H C 0.402 175.730 175.328 -0.000 0.000 0.974 67 H CA 0.240 56.293 56.048 0.007 0.000 1.199 67 H CB 1.109 30.912 29.762 0.069 0.000 1.447 67 H HN 0.202 nan 8.280 nan 0.000 0.467 68 M N 1.152 120.791 119.600 0.066 0.000 2.421 68 M HA 0.189 4.669 4.480 -0.000 0.000 0.287 68 M C -1.297 174.990 176.300 -0.022 0.000 1.183 68 M CA -0.847 54.467 55.300 0.023 0.000 0.916 68 M CB 3.154 35.769 32.600 0.024 0.000 1.701 68 M HN -0.170 nan 8.290 nan 0.000 0.470 69 D N 3.274 123.656 120.400 -0.031 0.000 2.472 69 D HA 0.068 4.708 4.640 -0.000 0.000 0.237 69 D C -1.632 174.640 176.300 -0.047 0.000 1.141 69 D CA -1.031 52.944 54.000 -0.043 0.000 0.875 69 D CB 0.705 41.480 40.800 -0.043 0.000 1.192 69 D HN 0.247 nan 8.370 nan 0.000 0.450 70 P HA -0.201 nan 4.420 nan 0.000 0.216 70 P C 1.319 178.588 177.300 -0.052 0.000 1.150 70 P CA 2.417 65.491 63.100 -0.043 0.000 0.843 70 P CB 0.171 31.850 31.700 -0.035 0.000 0.787 71 K N 0.345 120.712 120.400 -0.056 0.000 2.103 71 K HA -0.208 4.112 4.320 -0.000 0.000 0.207 71 K C 1.945 178.474 176.600 -0.117 0.000 1.048 71 K CA 1.602 57.845 56.287 -0.074 0.000 0.930 71 K CB -1.399 31.062 32.500 -0.066 0.000 0.716 71 K HN 0.212 nan 8.250 nan 0.000 0.444 72 E N 0.319 120.456 120.200 -0.105 0.000 2.122 72 E HA -0.095 4.255 4.350 -0.000 0.000 0.190 72 E C 2.273 178.800 176.600 -0.121 0.000 0.977 72 E CA 0.862 57.188 56.400 -0.124 0.000 0.820 72 E CB -0.093 29.568 29.700 -0.064 0.000 0.770 72 E HN 0.757 nan 8.360 nan 0.000 0.462 73 Q N 0.500 120.246 119.800 -0.091 0.000 2.152 73 Q HA -0.118 4.222 4.340 -0.000 0.000 0.206 73 Q C 2.057 178.001 176.000 -0.093 0.000 0.985 73 Q CA 1.173 56.922 55.803 -0.090 0.000 0.863 73 Q CB -0.198 28.509 28.738 -0.053 0.000 0.904 73 Q HN 0.144 nan 8.270 nan 0.000 0.422 74 R N 0.472 120.920 120.500 -0.086 0.000 2.280 74 R HA -0.047 4.293 4.340 -0.000 0.000 0.207 74 R C 1.257 177.510 176.300 -0.078 0.000 1.043 74 R CA 0.729 56.790 56.100 -0.065 0.000 1.006 74 R CB 0.113 30.384 30.300 -0.048 0.000 0.885 74 R HN 0.146 nan 8.270 nan 0.000 0.467 75 K N 0.272 120.582 120.400 -0.151 0.000 2.374 75 K HA 0.078 4.398 4.320 -0.000 0.000 0.196 75 K C 0.176 176.739 176.600 -0.061 0.000 1.023 75 K CA 0.079 56.264 56.287 -0.169 0.000 1.103 75 K CB 1.038 33.230 32.500 -0.514 0.000 0.848 75 K HN -0.013 nan 8.250 nan 0.000 0.528 76 V N -2.490 117.360 119.914 -0.106 0.000 3.078 76 V HA 0.434 4.554 4.120 -0.000 0.000 0.311 76 V C -1.030 174.969 176.094 -0.158 0.000 1.138 76 V CA -1.354 60.846 62.300 -0.166 0.000 1.007 76 V CB 2.038 33.641 31.823 -0.365 0.000 1.045 76 V HN -0.188 nan 8.190 nan 0.000 0.432 77 D N 2.610 122.909 120.400 -0.168 0.000 2.344 77 D HA 0.422 5.061 4.640 -0.000 0.000 0.244 77 D C -1.797 174.328 176.300 -0.290 0.000 1.134 77 D CA -1.542 52.401 54.000 -0.095 0.000 0.930 77 D CB 1.618 42.528 40.800 0.183 0.000 1.175 77 D HN 0.428 nan 8.370 nan 0.000 0.437 78 P HA -0.092 nan 4.420 nan 0.000 0.220 78 P C 1.224 178.039 177.300 -0.808 0.000 1.148 78 P CA 0.813 63.589 63.100 -0.540 0.000 0.803 78 P CB -0.092 31.307 31.700 -0.501 0.000 0.782 79 F N -1.099 118.581 119.950 -0.450 0.000 2.192 79 F HA -0.183 4.344 4.527 -0.000 0.000 0.301 79 F C 1.831 177.511 175.800 -0.199 0.000 1.079 79 F CA 1.212 59.056 58.000 -0.259 0.000 1.303 79 F CB -1.638 37.308 39.000 -0.090 0.000 1.024 79 F HN -0.156 nan 8.300 nan 0.000 0.494 80 I N 0.487 120.439 120.570 -1.031 0.000 2.252 80 I HA -0.210 3.960 4.170 -0.000 0.000 0.245 80 I C 2.397 178.278 176.117 -0.394 0.000 1.102 80 I CA 1.043 61.886 61.300 -0.762 0.000 1.385 80 I CB -0.491 36.931 38.000 -0.962 0.000 1.064 80 I HN 0.099 nan 8.210 nan 0.000 0.414 81 V N 0.342 120.034 119.914 -0.369 0.000 2.343 81 V HA -0.296 3.824 4.120 -0.000 0.000 0.247 81 V C 2.349 178.507 176.094 0.106 0.000 1.051 81 V CA 1.795 64.032 62.300 -0.105 0.000 1.036 81 V CB -0.976 30.821 31.823 -0.044 0.000 0.654 81 V HN 0.281 nan 8.190 nan 0.000 0.451 82 Y N 1.047 121.330 120.300 -0.029 0.000 2.181 82 Y HA -0.134 4.416 4.550 -0.000 0.000 0.288 82 Y C 2.638 178.474 175.900 -0.107 0.000 1.146 82 Y CA 0.706 58.722 58.100 -0.140 0.000 1.164 82 Y CB -1.615 36.741 38.460 -0.174 0.000 0.982 82 Y HN 0.204 nan 8.280 nan 0.000 0.515 83 A N -0.065 122.808 122.820 0.089 0.000 1.908 83 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 83 A C 2.525 180.132 177.584 0.038 0.000 1.181 83 A CA 2.176 54.242 52.037 0.048 0.000 0.627 83 A CB -1.222 17.807 19.000 0.048 0.000 0.818 83 A HN 0.247 nan 8.150 nan 0.000 0.445 84 V N -0.110 119.828 119.914 0.039 0.000 2.343 84 V HA -0.181 3.939 4.120 -0.000 0.000 0.247 84 V C 2.816 178.924 176.094 0.022 0.000 1.051 84 V CA 1.974 64.322 62.300 0.079 0.000 1.036 84 V CB -1.508 30.373 31.823 0.097 0.000 0.654 84 V HN 0.620 nan 8.190 nan 0.000 0.451 85 G N -0.387 108.347 108.800 -0.111 0.000 2.421 85 G HA2 -0.204 3.755 3.960 -0.000 0.000 0.216 85 G HA3 -0.204 3.755 3.960 -0.000 0.000 0.216 85 G C 1.759 176.528 174.900 -0.218 0.000 1.171 85 G CA 1.052 45.813 45.100 -0.565 0.000 0.775 85 G HN 0.610 nan 8.290 nan 0.000 0.543 86 A N 1.001 123.767 122.820 -0.092 0.000 1.930 86 A HA 0.344 4.664 4.320 -0.000 0.000 0.217 86 A C 2.785 180.356 177.584 -0.022 0.000 1.175 86 A CA 2.088 54.091 52.037 -0.057 0.000 0.627 86 A CB -0.668 18.289 19.000 -0.072 0.000 0.815 86 A HN 0.737 nan 8.150 nan 0.000 0.443 87 A N 0.165 122.988 122.820 0.005 0.000 1.898 87 A HA -0.165 4.155 4.320 -0.000 0.000 0.216 87 A C 1.773 179.371 177.584 0.023 0.000 1.181 87 A CA 1.838 53.884 52.037 0.015 0.000 0.620 87 A CB -0.607 18.430 19.000 0.061 0.000 0.819 87 A HN 0.432 nan 8.150 nan 0.000 0.442 88 D N -0.253 120.228 120.400 0.135 0.000 2.116 88 D HA -0.194 4.446 4.640 -0.000 0.000 0.193 88 D C 2.191 178.591 176.300 0.167 0.000 0.998 88 D CA 1.723 55.866 54.000 0.238 0.000 0.836 88 D CB -0.472 40.562 40.800 0.391 0.000 0.951 88 D HN 0.631 nan 8.370 nan 0.000 0.449 89 Q N 0.067 119.945 119.800 0.130 0.000 2.061 89 Q HA -0.111 4.229 4.340 -0.000 0.000 0.204 89 Q C 2.224 178.260 176.000 0.060 0.000 0.984 89 Q CA 1.603 57.470 55.803 0.107 0.000 0.846 89 Q CB -0.158 28.625 28.738 0.074 0.000 0.902 89 Q HN 0.256 nan 8.270 nan 0.000 0.421 90 A N 0.614 123.441 122.820 0.011 0.000 1.930 90 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 90 A C 2.052 179.621 177.584 -0.024 0.000 1.175 90 A CA 0.988 53.014 52.037 -0.019 0.000 0.627 90 A CB -0.566 18.401 19.000 -0.054 0.000 0.815 90 A HN 0.274 nan 8.150 nan 0.000 0.443 91 L N -0.606 120.572 121.223 -0.074 0.000 2.093 91 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 91 L C 2.052 178.841 176.870 -0.135 0.000 1.085 91 L CA 1.242 55.970 54.840 -0.188 0.000 0.755 91 L CB -0.623 41.171 42.059 -0.441 0.000 0.904 91 L HN 0.267 nan 8.230 nan 0.000 0.435 92 D N -0.024 120.423 120.400 0.079 0.000 2.097 92 D HA -0.220 4.419 4.640 -0.000 0.000 0.195 92 D C 1.771 178.154 176.300 0.138 0.000 0.989 92 D CA 1.427 55.557 54.000 0.217 0.000 0.827 92 D CB -0.163 40.761 40.800 0.208 0.000 0.966 92 D HN 0.261 nan 8.370 nan 0.000 0.456 93 D N 0.085 120.545 120.400 0.101 0.000 2.117 93 D HA -0.071 4.569 4.640 -0.000 0.000 0.197 93 D C 1.765 178.126 176.300 0.101 0.000 0.987 93 D CA 1.494 55.558 54.000 0.107 0.000 0.829 93 D CB -0.120 40.749 40.800 0.114 0.000 0.961 93 D HN 0.098 nan 8.370 nan 0.000 0.460 94 A N -0.592 122.275 122.820 0.079 0.000 2.168 94 A HA 0.327 4.647 4.320 -0.000 0.000 0.215 94 A C 1.792 179.443 177.584 0.111 0.000 1.152 94 A CA 1.153 53.234 52.037 0.075 0.000 0.716 94 A CB -0.742 18.285 19.000 0.046 0.000 0.794 94 A HN 0.502 nan 8.150 nan 0.000 0.465 95 G N -2.151 106.719 108.800 0.117 0.000 2.295 95 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.287 95 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.287 95 G C -0.172 174.868 174.900 0.234 0.000 1.055 95 G CA 0.349 45.550 45.100 0.168 0.000 0.922 95 G HN 0.820 nan 8.290 nan 0.000 0.503 96 W N 0.614 121.795 121.300 -0.198 0.000 2.453 96 W HA 0.610 5.270 4.660 -0.000 0.000 0.310 96 W C -0.937 175.309 176.519 -0.455 0.000 1.000 96 W CA -0.852 56.372 57.345 -0.202 0.000 1.367 96 W CB 1.020 30.390 29.460 -0.151 0.000 1.269 96 W HN 0.318 nan 8.180 nan 0.000 0.418 97 H N 4.872 123.701 119.070 -0.400 0.000 2.716 97 H HA 0.256 4.812 4.556 -0.000 0.000 0.260 97 H C -2.213 172.815 175.328 -0.501 0.000 1.280 97 H CA -1.514 54.335 56.048 -0.332 0.000 1.506 97 H CB 1.138 30.834 29.762 -0.110 0.000 1.514 97 H HN 0.038 nan 8.280 nan 0.000 0.502 98 P HA -0.026 nan 4.420 nan 0.000 0.263 98 P C 0.422 177.586 177.300 -0.226 0.000 1.195 98 P CA 0.231 63.010 63.100 -0.535 0.000 0.762 98 P CB 1.292 32.781 31.700 -0.353 0.000 0.799 99 E N 1.351 121.435 120.200 -0.193 0.000 2.391 99 E HA 0.036 4.386 4.350 -0.000 0.000 0.206 99 E C 0.502 177.062 176.600 -0.065 0.000 0.851 99 E CA 0.527 56.868 56.400 -0.098 0.000 1.059 99 E CB -0.143 29.508 29.700 -0.083 0.000 1.065 99 E HN 0.577 nan 8.360 nan 0.000 0.512 100 N N 0.412 119.073 118.700 -0.066 0.000 2.476 100 N HA 0.036 4.776 4.740 -0.000 0.000 0.276 100 N C 0.501 176.007 175.510 -0.007 0.000 1.204 100 N CA -0.302 52.732 53.050 -0.026 0.000 0.974 100 N CB 0.836 39.316 38.487 -0.011 0.000 1.204 100 N HN -0.349 nan 8.380 nan 0.000 0.543 101 D N -0.834 119.571 120.400 0.009 0.000 2.117 101 D HA -0.210 4.430 4.640 -0.000 0.000 0.197 101 D C 1.416 177.740 176.300 0.039 0.000 0.987 101 D CA 1.318 55.330 54.000 0.019 0.000 0.829 101 D CB 0.054 40.865 40.800 0.018 0.000 0.961 101 D HN 0.767 nan 8.370 nan 0.000 0.460 102 E N 0.456 120.688 120.200 0.053 0.000 2.051 102 E HA -0.179 4.170 4.350 -0.000 0.000 0.192 102 E C 1.448 178.125 176.600 0.129 0.000 0.991 102 E CA 1.781 58.231 56.400 0.084 0.000 0.799 102 E CB -0.283 29.472 29.700 0.091 0.000 0.748 102 E HN 0.233 nan 8.360 nan 0.000 0.449 103 D N -0.028 120.454 120.400 0.138 0.000 2.178 103 D HA -0.126 4.514 4.640 -0.000 0.000 0.202 103 D C 1.926 178.327 176.300 0.167 0.000 0.974 103 D CA 0.880 55.020 54.000 0.232 0.000 0.841 103 D CB -0.178 40.644 40.800 0.036 0.000 0.953 103 D HN 0.408 nan 8.370 nan 0.000 0.478 104 Q N 0.176 120.016 119.800 0.066 0.000 2.049 104 Q HA -0.077 4.263 4.340 -0.000 0.000 0.198 104 Q C 2.434 178.482 176.000 0.079 0.000 0.971 104 Q CA 1.267 57.104 55.803 0.057 0.000 0.833 104 Q CB 0.021 28.772 28.738 0.022 0.000 0.896 104 Q HN 0.328 nan 8.270 nan 0.000 0.434 105 V N -1.326 118.631 119.914 0.071 0.000 2.970 105 V HA -0.037 4.083 4.120 -0.000 0.000 0.260 105 V C 1.489 177.623 176.094 0.068 0.000 1.100 105 V CA 1.160 63.496 62.300 0.061 0.000 1.122 105 V CB -0.225 31.626 31.823 0.046 0.000 0.721 105 V HN 0.179 nan 8.190 nan 0.000 0.483 106 R N 0.574 121.132 120.500 0.096 0.000 2.334 106 R HA 0.302 4.642 4.340 -0.000 0.000 0.216 106 R C 0.208 176.548 176.300 0.067 0.000 0.905 106 R CA 0.223 56.366 56.100 0.072 0.000 1.064 106 R CB -0.003 30.346 30.300 0.081 0.000 1.046 106 R HN 0.554 nan 8.270 nan 0.000 0.508 107 T N 0.353 114.984 114.554 0.128 0.000 2.786 107 T HA 0.613 4.963 4.350 -0.000 0.000 0.283 107 T C 0.240 174.998 174.700 0.096 0.000 0.992 107 T CA -0.513 61.674 62.100 0.145 0.000 0.954 107 T CB 2.235 71.311 68.868 0.347 0.000 0.934 107 T HN 0.218 nan 8.240 nan 0.000 0.440 108 G N 1.238 110.072 108.800 0.057 0.000 3.016 108 G HA2 0.761 4.721 3.960 -0.000 0.000 0.270 108 G HA3 0.761 4.721 3.960 -0.000 0.000 0.270 108 G C -1.353 173.578 174.900 0.052 0.000 1.352 108 G CA -0.762 44.371 45.100 0.055 0.000 1.060 108 G HN 0.670 nan 8.290 nan 0.000 0.538 109 V N -0.053 119.896 119.914 0.058 0.000 2.733 109 V HA 0.564 4.684 4.120 -0.000 0.000 0.306 109 V C -0.853 175.277 176.094 0.060 0.000 1.084 109 V CA -0.511 61.822 62.300 0.055 0.000 0.905 109 V CB 1.796 33.663 31.823 0.072 0.000 1.010 109 V HN 0.658 nan 8.190 nan 0.000 0.424 110 L N 6.057 127.298 121.223 0.030 0.000 2.529 110 L HA 0.636 4.976 4.340 -0.000 0.000 0.260 110 L C -1.481 175.384 176.870 -0.008 0.000 0.997 110 L CA -0.070 54.779 54.840 0.014 0.000 0.885 110 L CB 0.805 42.848 42.059 -0.027 0.000 1.185 110 L HN 0.617 nan 8.230 nan 0.000 0.442 111 I N 3.471 124.053 120.570 0.020 0.000 2.436 111 I HA 0.539 4.709 4.170 -0.000 0.000 0.289 111 I C 0.626 176.761 176.117 0.031 0.000 1.010 111 I CA -0.512 60.802 61.300 0.023 0.000 1.098 111 I CB 1.937 39.969 38.000 0.052 0.000 1.266 111 I HN 0.525 nan 8.210 nan 0.000 0.434 112 G N 3.043 111.848 108.800 0.008 0.000 2.491 112 G HA2 0.650 4.610 3.960 -0.000 0.000 0.327 112 G HA3 0.650 4.610 3.960 -0.000 0.000 0.327 112 G C -1.155 173.747 174.900 0.004 0.000 1.189 112 G CA -0.395 44.706 45.100 0.002 0.000 0.956 112 G HN 0.493 nan 8.290 nan 0.000 0.491 113 S N -1.843 113.835 115.700 -0.036 0.000 2.556 113 S HA 0.603 5.073 4.470 -0.000 0.000 0.271 113 S C 1.018 175.552 174.600 -0.111 0.000 1.135 113 S CA 0.248 58.389 58.200 -0.099 0.000 0.858 113 S CB 1.497 64.558 63.200 -0.233 0.000 1.114 113 S HN 0.997 nan 8.310 nan 0.000 0.468 114 G N 1.851 110.582 108.800 -0.115 0.000 2.411 114 G HA2 0.103 4.063 3.960 -0.000 0.000 0.213 114 G HA3 0.103 4.063 3.960 -0.000 0.000 0.213 114 G C 1.098 175.942 174.900 -0.092 0.000 1.166 114 G CA 0.962 46.013 45.100 -0.082 0.000 0.802 114 G HN 0.915 nan 8.290 nan 0.000 0.533 115 I N -3.598 116.886 120.570 -0.144 0.000 4.471 115 I HA 0.472 4.642 4.170 -0.000 0.000 0.326 115 I C 1.381 177.331 176.117 -0.280 0.000 1.300 115 I CA 0.702 61.919 61.300 -0.138 0.000 1.237 115 I CB 0.480 38.461 38.000 -0.032 0.000 1.195 115 I HN 0.358 nan 8.210 nan 0.000 0.427 116 G N 2.010 110.480 108.800 -0.550 0.000 2.556 116 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.283 116 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.283 116 G C 0.662 175.137 174.900 -0.708 0.000 1.177 116 G CA 0.044 44.462 45.100 -1.136 0.000 0.978 116 G HN 0.909 nan 8.290 nan 0.000 0.554 117 G N -0.116 108.530 108.800 -0.257 0.000 3.882 117 G HA2 0.488 4.448 3.960 -0.000 0.000 0.283 117 G HA3 0.488 4.448 3.960 -0.000 0.000 0.283 117 G C 1.279 176.216 174.900 0.061 0.000 1.283 117 G CA 0.725 45.900 45.100 0.125 0.000 1.402 117 G HN 0.997 nan 8.290 nan 0.000 0.618 118 I N -0.513 120.052 120.570 -0.007 0.000 2.194 118 I HA -0.214 3.956 4.170 -0.000 0.000 0.246 118 I C 2.454 178.573 176.117 0.003 0.000 1.093 118 I CA 1.923 63.221 61.300 -0.003 0.000 1.355 118 I CB 0.147 38.139 38.000 -0.013 0.000 1.046 118 I HN 0.492 nan 8.210 nan 0.000 0.413 119 E N 0.348 120.557 120.200 0.014 0.000 2.051 119 E HA -0.197 4.153 4.350 -0.000 0.000 0.192 119 E C 2.141 178.739 176.600 -0.003 0.000 0.991 119 E CA 1.377 57.771 56.400 -0.010 0.000 0.799 119 E CB -0.391 29.311 29.700 0.004 0.000 0.748 119 E HN 0.605 nan 8.360 nan 0.000 0.449 120 G N 0.863 109.701 108.800 0.063 0.000 2.422 120 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.218 120 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.218 120 G C 1.562 176.536 174.900 0.124 0.000 1.140 120 G CA 0.618 45.777 45.100 0.098 0.000 0.775 120 G HN 0.244 nan 8.290 nan 0.000 0.545 121 I N 0.413 121.082 120.570 0.164 0.000 2.179 121 I HA -0.171 3.998 4.170 -0.000 0.000 0.242 121 I C 2.751 178.822 176.117 -0.077 0.000 1.088 121 I CA 0.583 62.000 61.300 0.196 0.000 1.357 121 I CB -0.197 37.905 38.000 0.170 0.000 1.051 121 I HN 0.020 nan 8.210 nan 0.000 0.409 122 V N 0.527 120.341 119.914 -0.166 0.000 2.343 122 V HA -0.240 3.880 4.120 -0.000 0.000 0.247 122 V C 2.496 178.196 176.094 -0.657 0.000 1.051 122 V CA 1.693 63.740 62.300 -0.421 0.000 1.036 122 V CB -0.622 30.980 31.823 -0.369 0.000 0.654 122 V HN 0.402 nan 8.190 nan 0.000 0.451 123 E N 0.423 120.413 120.200 -0.349 0.000 2.077 123 E HA -0.173 4.177 4.350 -0.000 0.000 0.193 123 E C 2.363 178.832 176.600 -0.219 0.000 0.989 123 E CA 1.542 57.815 56.400 -0.213 0.000 0.800 123 E CB -0.563 29.107 29.700 -0.050 0.000 0.746 123 E HN 0.580 nan 8.360 nan 0.000 0.452 124 A N 1.096 123.723 122.820 -0.321 0.000 1.930 124 A HA -0.045 4.274 4.320 -0.000 0.000 0.217 124 A C 2.488 179.831 177.584 -0.402 0.000 1.175 124 A CA 1.757 53.486 52.037 -0.514 0.000 0.627 124 A CB -1.005 17.221 19.000 -1.290 0.000 0.815 124 A HN 0.330 nan 8.150 nan 0.000 0.443 125 G N -1.318 107.266 108.800 -0.359 0.000 2.442 125 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.219 125 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.219 125 G C 1.412 176.263 174.900 -0.081 0.000 1.141 125 G CA 1.243 46.206 45.100 -0.228 0.000 0.763 125 G HN 0.508 nan 8.290 nan 0.000 0.554 126 Y N 1.405 121.652 120.300 -0.090 0.000 2.200 126 Y HA -0.045 4.505 4.550 -0.000 0.000 0.290 126 Y C 3.241 179.098 175.900 -0.070 0.000 1.137 126 Y CA 1.043 59.104 58.100 -0.065 0.000 1.163 126 Y CB -1.197 37.233 38.460 -0.050 0.000 0.988 126 Y HN 0.112 nan 8.280 nan 0.000 0.518 127 T N 0.881 115.464 114.554 0.049 0.000 2.746 127 T HA -0.186 4.164 4.350 -0.000 0.000 0.267 127 T C 2.069 176.754 174.700 -0.025 0.000 1.039 127 T CA 1.352 63.448 62.100 -0.007 0.000 1.142 127 T CB -0.729 68.103 68.868 -0.060 0.000 0.866 127 T HN 0.188 nan 8.240 nan 0.000 0.444 128 L N 1.434 122.621 121.223 -0.060 0.000 2.013 128 L HA -0.087 4.253 4.340 -0.000 0.000 0.212 128 L C 2.473 179.338 176.870 -0.009 0.000 1.073 128 L CA 1.949 56.761 54.840 -0.047 0.000 0.753 128 L CB -0.523 41.495 42.059 -0.068 0.000 0.890 128 L HN 0.089 nan 8.230 nan 0.000 0.432 129 R N -1.073 119.437 120.500 0.016 0.000 2.073 129 R HA -0.110 4.230 4.340 -0.000 0.000 0.229 129 R C 1.791 178.101 176.300 0.016 0.000 1.120 129 R CA 1.619 57.734 56.100 0.025 0.000 0.967 129 R CB -0.172 30.158 30.300 0.050 0.000 0.862 129 R HN 0.421 nan 8.270 nan 0.000 0.436 130 D N -0.120 120.292 120.400 0.020 0.000 2.183 130 D HA -0.045 4.595 4.640 -0.000 0.000 0.205 130 D C 1.186 177.488 176.300 0.002 0.000 0.962 130 D CA 1.232 55.236 54.000 0.007 0.000 0.849 130 D CB 0.229 41.033 40.800 0.007 0.000 0.978 130 D HN 0.250 nan 8.370 nan 0.000 0.488 131 K N -0.725 119.676 120.400 0.002 0.000 2.425 131 K HA 0.389 4.709 4.320 -0.000 0.000 0.201 131 K C 0.572 177.170 176.600 -0.004 0.000 1.128 131 K CA 0.324 56.610 56.287 -0.001 0.000 1.000 131 K CB 2.134 34.633 32.500 -0.001 0.000 0.961 131 K HN 0.130 nan 8.250 nan 0.000 0.555 132 G N 1.961 110.757 108.800 -0.007 0.000 2.619 132 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.686 132 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.686 132 G C -2.472 172.420 174.900 -0.013 0.000 1.256 132 G CA -0.728 44.368 45.100 -0.008 0.000 0.826 132 G HN -0.169 nan 8.290 nan 0.000 0.619 133 P HA -0.088 nan 4.420 nan 0.000 0.220 133 P C 1.567 178.863 177.300 -0.007 0.000 1.148 133 P CA 0.911 64.005 63.100 -0.010 0.000 0.803 133 P CB 0.085 31.784 31.700 -0.001 0.000 0.782 134 R N -0.367 120.130 120.500 -0.005 0.000 2.280 134 R HA 0.068 4.408 4.340 -0.000 0.000 0.207 134 R C 1.784 178.082 176.300 -0.004 0.000 1.043 134 R CA 0.509 56.607 56.100 -0.003 0.000 1.006 134 R CB -0.308 29.991 30.300 -0.002 0.000 0.885 134 R HN 0.227 nan 8.270 nan 0.000 0.467 135 R N 0.466 120.962 120.500 -0.008 0.000 2.359 135 R HA 0.212 4.552 4.340 -0.000 0.000 0.231 135 R C 0.455 176.748 176.300 -0.012 0.000 0.913 135 R CA -0.230 55.866 56.100 -0.006 0.000 1.075 135 R CB 0.187 30.485 30.300 -0.005 0.000 1.087 135 R HN 0.017 nan 8.270 nan 0.000 0.515 136 I N 1.535 122.092 120.570 -0.021 0.000 2.648 136 I HA -0.050 4.119 4.170 -0.000 0.000 0.284 136 I C 1.167 177.295 176.117 0.018 0.000 1.153 136 I CA 0.033 61.312 61.300 -0.034 0.000 1.426 136 I CB 0.696 38.673 38.000 -0.038 0.000 1.381 136 I HN -0.039 nan 8.210 nan 0.000 0.571 137 S N 7.822 123.553 115.700 0.051 0.000 2.549 137 S HA 0.148 4.618 4.470 -0.000 0.000 0.283 137 S C -1.299 173.333 174.600 0.053 0.000 1.320 137 S CA -0.912 57.343 58.200 0.091 0.000 1.058 137 S CB 0.696 64.009 63.200 0.188 0.000 0.882 137 S HN 0.388 nan 8.310 nan 0.000 0.498 138 P HA -0.028 nan 4.420 nan 0.000 0.223 138 P C 0.264 177.328 177.300 -0.392 0.000 1.144 138 P CA 1.108 64.020 63.100 -0.313 0.000 0.783 138 P CB -0.010 31.359 31.700 -0.551 0.000 0.771 139 F N -3.127 116.880 119.950 0.096 0.000 2.765 139 F HA 0.151 4.678 4.527 -0.000 0.000 0.302 139 F C 1.900 177.780 175.800 0.132 0.000 1.111 139 F CA -0.307 57.746 58.000 0.089 0.000 1.359 139 F CB -0.923 38.120 39.000 0.071 0.000 1.097 139 F HN -0.154 nan 8.300 nan 0.000 0.577 140 F N 1.421 121.437 119.950 0.110 0.000 2.043 140 F HA -0.256 4.271 4.527 -0.000 0.000 0.297 140 F C 2.093 177.939 175.800 0.077 0.000 1.121 140 F CA 1.561 59.610 58.000 0.081 0.000 1.199 140 F CB -0.665 38.358 39.000 0.038 0.000 0.968 140 F HN -0.146 nan 8.300 nan 0.000 0.478 141 I N 1.969 122.313 120.570 -0.378 0.000 2.099 141 I HA -0.201 3.969 4.170 -0.000 0.000 0.239 141 I C -0.171 175.838 176.117 -0.180 0.000 1.066 141 I CA 1.941 62.959 61.300 -0.470 0.000 1.324 141 I CB -2.990 34.836 38.000 -0.290 0.000 1.037 141 I HN 0.153 nan 8.210 nan 0.000 0.401 142 P HA -0.093 nan 4.420 nan 0.000 0.218 142 P C 1.498 178.854 177.300 0.093 0.000 1.149 142 P CA 1.649 64.783 63.100 0.056 0.000 0.817 142 P CB -0.263 31.507 31.700 0.117 0.000 0.785 143 G N -0.748 108.115 108.800 0.106 0.000 2.848 143 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.208 143 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.208 143 G C 1.616 176.550 174.900 0.056 0.000 1.152 143 G CA 0.167 45.303 45.100 0.060 0.000 0.789 143 G HN 0.161 nan 8.290 nan 0.000 0.531 144 R N -1.031 119.520 120.500 0.084 0.000 2.419 144 R HA 0.368 4.708 4.340 -0.000 0.000 0.235 144 R C 0.714 177.130 176.300 0.193 0.000 0.899 144 R CA -0.347 55.853 56.100 0.166 0.000 1.048 144 R CB -0.074 30.230 30.300 0.007 0.000 1.182 144 R HN 0.227 nan 8.270 nan 0.000 0.544 145 L N 0.988 122.288 121.223 0.128 0.000 2.416 145 L HA 0.133 4.473 4.340 -0.000 0.000 0.272 145 L C 1.426 178.436 176.870 0.235 0.000 1.161 145 L CA -0.028 54.876 54.840 0.106 0.000 0.845 145 L CB 0.618 42.710 42.059 0.055 0.000 1.119 145 L HN 0.068 nan 8.230 nan 0.000 0.464 146 I N 2.456 123.095 120.570 0.114 0.000 2.208 146 I HA -0.305 3.865 4.170 -0.000 0.000 0.245 146 I C 2.159 178.404 176.117 0.214 0.000 1.097 146 I CA 1.315 62.681 61.300 0.110 0.000 1.363 146 I CB -0.243 37.732 38.000 -0.042 0.000 1.051 146 I HN 0.850 nan 8.210 nan 0.000 0.413 147 N N 1.094 119.879 118.700 0.143 0.000 2.550 147 N HA -0.130 4.610 4.740 -0.000 0.000 0.186 147 N C 1.549 177.147 175.510 0.148 0.000 1.110 147 N CA 0.734 53.863 53.050 0.132 0.000 0.912 147 N CB -0.202 38.345 38.487 0.100 0.000 0.968 147 N HN 0.316 nan 8.380 nan 0.000 0.448 148 L N 0.501 121.831 121.223 0.177 0.000 2.478 148 L HA 0.140 4.480 4.340 -0.000 0.000 0.223 148 L C 2.382 179.359 176.870 0.180 0.000 1.140 148 L CA 0.651 55.601 54.840 0.184 0.000 0.842 148 L CB -1.135 41.035 42.059 0.185 0.000 0.953 148 L HN 0.204 nan 8.230 nan 0.000 0.452 149 A N -0.437 122.469 122.820 0.144 0.000 1.858 149 A HA -0.177 4.143 4.320 -0.000 0.000 0.216 149 A C 2.543 180.200 177.584 0.122 0.000 1.190 149 A CA 1.898 53.984 52.037 0.083 0.000 0.617 149 A CB -0.527 18.561 19.000 0.146 0.000 0.827 149 A HN 0.376 nan 8.150 nan 0.000 0.443 150 S N -0.341 115.435 115.700 0.126 0.000 2.374 150 S HA -0.120 4.350 4.470 -0.000 0.000 0.227 150 S C 2.044 176.710 174.600 0.110 0.000 1.037 150 S CA 1.296 59.562 58.200 0.110 0.000 1.024 150 S CB -0.741 62.521 63.200 0.105 0.000 0.861 150 S HN 0.799 nan 8.310 nan 0.000 0.456 151 G N 1.304 110.174 108.800 0.115 0.000 2.459 151 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.217 151 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.217 151 G C 1.191 176.124 174.900 0.055 0.000 1.183 151 G CA 0.811 45.956 45.100 0.076 0.000 0.776 151 G HN 0.540 nan 8.290 nan 0.000 0.552 152 H N -0.203 118.874 119.070 0.012 0.000 2.353 152 H HA -0.058 4.498 4.556 -0.000 0.000 0.300 152 H C 2.868 178.212 175.328 0.027 0.000 1.090 152 H CA 1.365 57.413 56.048 -0.000 0.000 1.327 152 H CB -0.065 29.678 29.762 -0.031 0.000 1.383 152 H HN 0.197 nan 8.280 nan 0.000 0.508 153 V N 1.123 121.145 119.914 0.181 0.000 2.295 153 V HA -0.270 3.849 4.120 -0.000 0.000 0.246 153 V C 2.820 179.018 176.094 0.173 0.000 1.049 153 V CA 1.955 64.368 62.300 0.189 0.000 1.024 153 V CB -0.657 31.266 31.823 0.167 0.000 0.648 153 V HN 0.548 nan 8.190 nan 0.000 0.447 154 S N 0.198 115.967 115.700 0.116 0.000 2.368 154 S HA -0.184 4.286 4.470 -0.000 0.000 0.225 154 S C 1.957 176.592 174.600 0.059 0.000 1.030 154 S CA 1.864 60.119 58.200 0.092 0.000 0.999 154 S CB -0.672 62.567 63.200 0.065 0.000 0.844 154 S HN 0.530 nan 8.310 nan 0.000 0.459 155 I N 1.855 122.434 120.570 0.014 0.000 2.252 155 I HA -0.107 4.062 4.170 -0.000 0.000 0.245 155 I C 2.807 178.896 176.117 -0.046 0.000 1.102 155 I CA 1.557 62.838 61.300 -0.032 0.000 1.385 155 I CB -0.296 37.649 38.000 -0.092 0.000 1.064 155 I HN 0.346 nan 8.210 nan 0.000 0.414 156 K N 0.123 120.484 120.400 -0.065 0.000 2.097 156 K HA -0.183 4.137 4.320 -0.000 0.000 0.206 156 K C 1.686 178.115 176.600 -0.286 0.000 1.049 156 K CA 1.459 57.628 56.287 -0.196 0.000 0.933 156 K CB 0.025 32.368 32.500 -0.261 0.000 0.717 156 K HN 0.408 nan 8.250 nan 0.000 0.442 157 H N -0.784 118.313 119.070 0.046 0.000 2.594 157 H HA 0.115 4.671 4.556 -0.000 0.000 0.279 157 H C 0.097 175.437 175.328 0.021 0.000 1.042 157 H CA 0.829 56.907 56.048 0.050 0.000 1.177 157 H CB 1.090 30.896 29.762 0.073 0.000 1.524 157 H HN 0.250 nan 8.280 nan 0.000 0.537 158 K N 1.082 121.533 120.400 0.085 0.000 3.162 158 K HA -0.159 4.161 4.320 -0.000 0.000 0.268 158 K C -0.176 176.461 176.600 0.061 0.000 1.062 158 K CA 0.930 57.245 56.287 0.046 0.000 0.769 158 K CB -3.014 29.498 32.500 0.020 0.000 1.274 158 K HN 0.371 nan 8.250 nan 0.000 0.478 159 L N 0.268 121.541 121.223 0.085 0.000 2.255 159 L HA 0.430 4.770 4.340 -0.000 0.000 0.289 159 L C 1.491 178.400 176.870 0.067 0.000 1.046 159 L CA -0.650 54.243 54.840 0.089 0.000 0.816 159 L CB 1.443 43.569 42.059 0.112 0.000 1.197 159 L HN 0.411 nan 8.230 nan 0.000 0.427 160 R N 1.560 122.096 120.500 0.059 0.000 2.397 160 R HA 0.197 4.537 4.340 -0.000 0.000 0.241 160 R C 1.037 177.362 176.300 0.042 0.000 0.914 160 R CA -0.187 55.939 56.100 0.043 0.000 1.071 160 R CB 0.941 31.262 30.300 0.034 0.000 1.116 160 R HN 0.781 nan 8.270 nan 0.000 0.524 161 G N 1.771 110.603 108.800 0.052 0.000 2.553 161 G HA2 0.189 4.149 3.960 -0.000 0.000 0.278 161 G HA3 0.189 4.149 3.960 -0.000 0.000 0.278 161 G C -2.294 172.628 174.900 0.038 0.000 1.349 161 G CA -1.052 44.073 45.100 0.043 0.000 1.037 161 G HN -0.113 nan 8.290 nan 0.000 0.508 162 P HA 0.014 nan 4.420 nan 0.000 0.260 162 P C -0.572 176.764 177.300 0.060 0.000 1.172 162 P CA 0.312 63.435 63.100 0.037 0.000 0.760 162 P CB 0.374 32.103 31.700 0.049 0.000 0.773 163 N N 3.067 121.799 118.700 0.053 0.000 2.518 163 N HA 0.226 4.966 4.740 -0.000 0.000 0.254 163 N C -1.391 174.186 175.510 0.112 0.000 0.979 163 N CA -0.271 52.824 53.050 0.075 0.000 0.930 163 N CB 0.148 38.665 38.487 0.049 0.000 1.152 163 N HN 0.351 nan 8.380 nan 0.000 0.505 164 H N 0.953 120.038 119.070 0.024 0.000 2.985 164 H HA 0.718 5.274 4.556 -0.000 0.000 0.360 164 H C -1.532 173.811 175.328 0.025 0.000 1.221 164 H CA -0.614 55.447 56.048 0.021 0.000 1.121 164 H CB 1.946 31.717 29.762 0.015 0.000 1.854 164 H HN 0.435 nan 8.280 nan 0.000 0.551 165 S N 1.417 117.284 115.700 0.278 0.000 2.535 165 S HA 0.600 5.070 4.470 -0.000 0.000 0.272 165 S C -1.384 173.192 174.600 -0.041 0.000 1.149 165 S CA -0.145 58.088 58.200 0.055 0.000 0.888 165 S CB 0.418 63.679 63.200 0.102 0.000 1.110 165 S HN 0.682 nan 8.310 nan 0.000 0.463 166 V N 1.223 121.087 119.914 -0.084 0.000 3.046 166 V HA 1.008 5.128 4.120 -0.000 0.000 0.316 166 V C -0.683 175.384 176.094 -0.044 0.000 1.104 166 V CA -0.714 61.534 62.300 -0.087 0.000 1.006 166 V CB 1.625 33.374 31.823 -0.123 0.000 1.058 166 V HN 0.967 nan 8.190 nan 0.000 0.440 167 V N 2.744 122.630 119.914 -0.047 0.000 2.555 167 V HA 0.657 4.777 4.120 -0.000 0.000 0.283 167 V C 0.101 176.181 176.094 -0.023 0.000 1.020 167 V CA 0.799 63.081 62.300 -0.031 0.000 0.883 167 V CB 1.702 33.506 31.823 -0.031 0.000 1.030 167 V HN 1.430 nan 8.190 nan 0.000 0.448 168 T N 3.317 117.879 114.554 0.013 0.000 3.748 168 T HA 0.720 5.070 4.350 -0.000 0.000 0.281 168 T C 0.773 175.539 174.700 0.110 0.000 0.977 168 T CA 0.830 62.964 62.100 0.057 0.000 1.056 168 T CB 0.671 69.575 68.868 0.059 0.000 1.138 168 T HN 2.208 nan 8.240 nan 0.000 0.498 169 A N 0.922 123.783 122.820 0.069 0.000 5.395 169 A HA -0.332 3.988 4.320 -0.000 0.000 0.324 169 A C 2.005 179.613 177.584 0.040 0.000 1.813 169 A CA 1.592 53.661 52.037 0.053 0.000 0.714 169 A CB -2.007 17.072 19.000 0.132 0.000 1.374 169 A HN 1.244 nan 8.150 nan 0.000 0.390 170 C N 0.118 119.471 119.300 0.088 0.000 2.422 170 C HA 0.323 4.783 4.460 -0.000 0.000 0.286 170 C C 2.869 177.931 174.990 0.121 0.000 1.412 170 C CA 1.205 60.319 59.018 0.160 0.000 1.786 170 C CB -1.980 25.993 27.740 0.389 0.000 1.835 170 C HN 1.358 nan 8.230 nan 0.000 0.533 171 A N 0.573 123.460 122.820 0.112 0.000 2.195 171 A HA 0.072 4.391 4.320 -0.000 0.000 0.210 171 A C 2.035 179.699 177.584 0.134 0.000 1.165 171 A CA 1.190 53.275 52.037 0.080 0.000 0.806 171 A CB -0.703 18.382 19.000 0.142 0.000 0.847 171 A HN 0.486 nan 8.150 nan 0.000 0.482 172 T N 0.378 115.011 114.554 0.132 0.000 2.624 172 T HA -0.206 4.144 4.350 -0.000 0.000 0.268 172 T C 1.974 176.708 174.700 0.056 0.000 1.041 172 T CA 2.006 64.170 62.100 0.106 0.000 1.159 172 T CB -0.658 68.227 68.868 0.028 0.000 0.863 172 T HN 0.575 nan 8.240 nan 0.000 0.434 173 G N 0.441 109.239 108.800 -0.003 0.000 2.432 173 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.219 173 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.219 173 G C 1.683 176.539 174.900 -0.074 0.000 1.135 173 G CA 1.400 46.471 45.100 -0.049 0.000 0.767 173 G HN 0.483 nan 8.290 nan 0.000 0.550 174 T N 0.099 114.607 114.554 -0.077 0.000 2.809 174 T HA -0.018 4.331 4.350 -0.000 0.000 0.260 174 T C 2.004 176.632 174.700 -0.120 0.000 1.039 174 T CA 1.272 63.298 62.100 -0.124 0.000 1.141 174 T CB -0.363 68.414 68.868 -0.152 0.000 0.869 174 T HN 0.476 nan 8.240 nan 0.000 0.437 175 H N 1.147 120.230 119.070 0.021 0.000 2.353 175 H HA -0.007 4.549 4.556 -0.000 0.000 0.298 175 H C 2.477 177.740 175.328 -0.108 0.000 1.103 175 H CA 1.406 57.493 56.048 0.065 0.000 1.293 175 H CB -0.224 29.591 29.762 0.088 0.000 1.372 175 H HN 0.374 nan 8.280 nan 0.000 0.501 176 A N 0.650 123.473 122.820 0.005 0.000 1.877 176 A HA -0.156 4.164 4.320 -0.000 0.000 0.216 176 A C 2.379 179.873 177.584 -0.151 0.000 1.186 176 A CA 1.654 53.645 52.037 -0.077 0.000 0.620 176 A CB -0.645 18.317 19.000 -0.064 0.000 0.822 176 A HN 0.364 nan 8.150 nan 0.000 0.443 177 I N -0.545 119.912 120.570 -0.190 0.000 2.252 177 I HA -0.151 4.019 4.170 -0.000 0.000 0.245 177 I C 2.708 178.607 176.117 -0.363 0.000 1.102 177 I CA 1.002 62.163 61.300 -0.231 0.000 1.385 177 I CB -0.603 37.274 38.000 -0.205 0.000 1.064 177 I HN 0.404 nan 8.210 nan 0.000 0.414 178 G N 0.530 108.936 108.800 -0.656 0.000 2.421 178 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.216 178 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.216 178 G C 1.247 175.701 174.900 -0.743 0.000 1.171 178 G CA 0.979 45.291 45.100 -1.315 0.000 0.775 178 G HN 0.269 nan 8.290 nan 0.000 0.543 179 D N 0.924 121.087 120.400 -0.396 0.000 2.117 179 D HA 0.007 4.646 4.640 -0.000 0.000 0.198 179 D C 2.815 179.066 176.300 -0.081 0.000 0.982 179 D CA 1.153 55.110 54.000 -0.071 0.000 0.828 179 D CB -0.478 40.304 40.800 -0.029 0.000 0.967 179 D HN 0.294 nan 8.370 nan 0.000 0.464 180 A N 1.012 123.757 122.820 -0.125 0.000 1.933 180 A HA -0.063 4.257 4.320 -0.000 0.000 0.218 180 A C 2.301 179.833 177.584 -0.087 0.000 1.175 180 A CA 2.156 54.140 52.037 -0.088 0.000 0.628 180 A CB -0.686 18.256 19.000 -0.096 0.000 0.814 180 A HN 0.233 nan 8.150 nan 0.000 0.444 181 A N -0.226 122.518 122.820 -0.127 0.000 1.933 181 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 181 A C 2.223 179.779 177.584 -0.047 0.000 1.175 181 A CA 1.527 53.506 52.037 -0.098 0.000 0.628 181 A CB -0.427 18.500 19.000 -0.122 0.000 0.814 181 A HN 0.559 nan 8.150 nan 0.000 0.444 182 R N -0.580 119.906 120.500 -0.024 0.000 2.096 182 R HA 0.000 4.340 4.340 -0.000 0.000 0.235 182 R C 1.995 178.308 176.300 0.022 0.000 1.127 182 R CA 1.294 57.413 56.100 0.031 0.000 0.968 182 R CB -0.491 29.863 30.300 0.089 0.000 0.861 182 R HN 0.499 nan 8.270 nan 0.000 0.440 183 L N 0.311 121.542 121.223 0.013 0.000 2.079 183 L HA -0.212 4.128 4.340 -0.000 0.000 0.210 183 L C 2.261 179.128 176.870 -0.006 0.000 1.081 183 L CA 1.353 56.203 54.840 0.016 0.000 0.752 183 L CB -0.324 41.749 42.059 0.024 0.000 0.896 183 L HN 0.205 nan 8.230 nan 0.000 0.433 184 I N -0.614 119.940 120.570 -0.027 0.000 2.233 184 I HA -0.208 3.962 4.170 -0.000 0.000 0.243 184 I C 2.791 178.892 176.117 -0.026 0.000 1.093 184 I CA 0.974 62.246 61.300 -0.045 0.000 1.380 184 I CB -0.454 37.501 38.000 -0.076 0.000 1.067 184 I HN 0.151 nan 8.210 nan 0.000 0.413 185 A N 0.746 123.558 122.820 -0.014 0.000 1.917 185 A HA -0.265 4.055 4.320 -0.000 0.000 0.219 185 A C 2.485 180.074 177.584 0.008 0.000 1.182 185 A CA 2.415 54.452 52.037 0.001 0.000 0.633 185 A CB -1.616 17.391 19.000 0.013 0.000 0.819 185 A HN 0.463 nan 8.150 nan 0.000 0.448 186 F N -1.540 118.417 119.950 0.012 0.000 2.780 186 F HA 0.407 4.934 4.527 -0.000 0.000 0.299 186 F C 2.122 177.929 175.800 0.011 0.000 1.146 186 F CA 0.814 58.824 58.000 0.017 0.000 1.428 186 F CB -1.120 37.895 39.000 0.025 0.000 1.115 186 F HN 1.142 nan 8.300 nan 0.000 0.583 187 G N -0.379 108.424 108.800 0.004 0.000 2.159 187 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.227 187 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.227 187 G C 0.554 175.455 174.900 0.002 0.000 0.986 187 G CA 0.363 45.464 45.100 0.001 0.000 0.651 187 G HN 0.464 nan 8.290 nan 0.000 0.523 188 D N 0.443 120.845 120.400 0.004 0.000 2.312 188 D HA 0.360 5.000 4.640 -0.000 0.000 0.211 188 D C 1.327 177.628 176.300 0.001 0.000 0.964 188 D CA 1.590 55.595 54.000 0.008 0.000 0.877 188 D CB 0.363 41.173 40.800 0.017 0.000 0.924 188 D HN 1.026 nan 8.370 nan 0.000 0.515 189 A N 0.006 122.817 122.820 -0.016 0.000 2.612 189 A HA 0.379 4.699 4.320 -0.000 0.000 0.293 189 A C -0.611 176.923 177.584 -0.084 0.000 1.075 189 A CA -0.635 51.381 52.037 -0.035 0.000 0.680 189 A CB 1.436 20.418 19.000 -0.031 0.000 1.279 189 A HN -0.257 nan 8.150 nan 0.000 0.411 190 D N -0.551 119.762 120.400 -0.145 0.000 2.423 190 D HA 0.277 4.917 4.640 -0.000 0.000 0.212 190 D C -0.053 175.979 176.300 -0.446 0.000 1.060 190 D CA 1.038 54.866 54.000 -0.287 0.000 0.872 190 D CB 1.066 41.650 40.800 -0.360 0.000 1.012 190 D HN 0.242 nan 8.370 nan 0.000 0.503 191 V N 1.676 121.378 119.914 -0.353 0.000 2.841 191 V HA 0.439 4.559 4.120 -0.000 0.000 0.310 191 V C -0.657 175.339 176.094 -0.162 0.000 1.090 191 V CA -0.655 61.427 62.300 -0.363 0.000 0.930 191 V CB 2.767 34.258 31.823 -0.553 0.000 1.014 191 V HN -0.076 nan 8.190 nan 0.000 0.425 192 M N 3.597 123.113 119.600 -0.140 0.000 2.326 192 M HA 0.507 4.987 4.480 -0.000 0.000 0.292 192 M C -0.981 175.280 176.300 -0.065 0.000 1.081 192 M CA -0.598 54.660 55.300 -0.071 0.000 0.919 192 M CB 2.043 34.603 32.600 -0.066 0.000 1.634 192 M HN 0.347 nan 8.290 nan 0.000 0.451 193 V N 2.821 122.719 119.914 -0.026 0.000 2.385 193 V HA 0.743 4.863 4.120 -0.000 0.000 0.269 193 V C 0.176 176.251 176.094 -0.032 0.000 1.043 193 V CA -0.347 61.936 62.300 -0.029 0.000 0.906 193 V CB 0.820 32.642 31.823 -0.001 0.000 0.995 193 V HN 0.942 nan 8.190 nan 0.000 0.467 194 A N 3.963 126.749 122.820 -0.058 0.000 2.475 194 A HA 1.049 5.369 4.320 -0.000 0.000 0.301 194 A C 0.108 177.647 177.584 -0.076 0.000 1.059 194 A CA 0.098 52.096 52.037 -0.065 0.000 0.710 194 A CB 2.162 21.108 19.000 -0.090 0.000 1.288 194 A HN 1.395 nan 8.150 nan 0.000 0.408 195 G N -0.688 108.071 108.800 -0.068 0.000 2.404 195 G HA2 0.622 4.582 3.960 -0.000 0.000 0.253 195 G HA3 0.622 4.582 3.960 -0.000 0.000 0.253 195 G C -0.321 174.549 174.900 -0.050 0.000 1.253 195 G CA 0.395 45.449 45.100 -0.075 0.000 0.917 195 G HN 2.003 nan 8.290 nan 0.000 0.480 196 G N -1.382 107.389 108.800 -0.048 0.000 2.696 196 G HA2 0.733 4.693 3.960 -0.000 0.000 0.295 196 G HA3 0.733 4.693 3.960 -0.000 0.000 0.295 196 G C -1.275 173.621 174.900 -0.005 0.000 1.398 196 G CA 0.629 45.714 45.100 -0.025 0.000 0.920 196 G HN 1.234 nan 8.290 nan 0.000 0.492 197 T N -0.547 114.030 114.554 0.039 0.000 2.916 197 T HA 0.692 5.042 4.350 -0.000 0.000 0.305 197 T C -1.580 173.182 174.700 0.102 0.000 1.119 197 T CA -0.433 61.729 62.100 0.103 0.000 1.008 197 T CB 2.215 71.198 68.868 0.192 0.000 1.129 197 T HN 0.637 nan 8.240 nan 0.000 0.480 198 E N 0.934 121.220 120.200 0.144 0.000 2.352 198 E HA 0.542 4.892 4.350 -0.000 0.000 0.280 198 E C -1.296 175.442 176.600 0.229 0.000 0.930 198 E CA -0.562 55.893 56.400 0.093 0.000 0.765 198 E CB 1.796 31.480 29.700 -0.026 0.000 1.219 198 E HN 0.533 nan 8.360 nan 0.000 0.434 199 S N 3.179 118.992 115.700 0.187 0.000 2.062 199 S HA 0.397 4.866 4.470 -0.000 0.000 0.163 199 S C -2.198 172.484 174.600 0.136 0.000 1.612 199 S CA -0.965 57.376 58.200 0.234 0.000 1.251 199 S CB 1.010 64.319 63.200 0.182 0.000 1.174 199 S HN 0.448 nan 8.310 nan 0.000 0.428 200 P HA 0.232 nan 4.420 nan 0.000 0.268 200 P C -0.282 177.087 177.300 0.115 0.000 1.329 200 P CA -0.073 63.071 63.100 0.073 0.000 0.899 200 P CB 0.289 31.982 31.700 -0.012 0.000 1.378 201 V N 1.359 121.369 119.914 0.160 0.000 2.299 201 V HA 0.295 4.415 4.120 -0.000 0.000 0.255 201 V C 0.592 176.859 176.094 0.289 0.000 1.100 201 V CA 0.151 62.599 62.300 0.247 0.000 0.938 201 V CB -0.392 31.581 31.823 0.249 0.000 1.139 201 V HN 0.299 nan 8.190 nan 0.000 0.490 202 S N 3.474 119.243 115.700 0.114 0.000 2.596 202 S HA 0.560 5.030 4.470 -0.000 0.000 0.270 202 S C 0.479 174.833 174.600 -0.409 0.000 1.155 202 S CA -1.035 56.943 58.200 -0.369 0.000 0.827 202 S CB 2.029 65.107 63.200 -0.202 0.000 1.130 202 S HN 0.351 nan 8.310 nan 0.000 0.467 203 R N -0.416 119.640 120.500 -0.739 0.000 2.083 203 R HA -0.048 4.292 4.340 -0.000 0.000 0.237 203 R C 2.036 178.291 176.300 -0.074 0.000 1.137 203 R CA 1.787 57.726 56.100 -0.268 0.000 0.951 203 R CB -0.634 29.535 30.300 -0.218 0.000 0.851 203 R HN 0.687 nan 8.270 nan 0.000 0.434 204 I N 0.273 120.791 120.570 -0.086 0.000 2.226 204 I HA -0.253 3.916 4.170 -0.000 0.000 0.245 204 I C 2.278 178.406 176.117 0.018 0.000 1.100 204 I CA 1.575 62.860 61.300 -0.025 0.000 1.374 204 I CB -0.355 37.619 38.000 -0.042 0.000 1.057 204 I HN 0.019 nan 8.210 nan 0.000 0.413 205 S N -0.074 115.658 115.700 0.052 0.000 2.355 205 S HA -0.106 4.363 4.470 -0.000 0.000 0.222 205 S C 2.119 176.878 174.600 0.266 0.000 1.031 205 S CA 1.397 59.705 58.200 0.180 0.000 0.993 205 S CB -0.534 62.788 63.200 0.205 0.000 0.859 205 S HN 0.484 nan 8.310 nan 0.000 0.453 206 L N 1.265 122.605 121.223 0.195 0.000 2.012 206 L HA -0.127 4.213 4.340 -0.000 0.000 0.210 206 L C 3.010 179.972 176.870 0.152 0.000 1.073 206 L CA 1.416 56.374 54.840 0.195 0.000 0.748 206 L CB -0.775 41.407 42.059 0.205 0.000 0.891 206 L HN 0.450 nan 8.230 nan 0.000 0.431 207 A N 0.182 123.065 122.820 0.105 0.000 1.883 207 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 207 A C 2.399 180.012 177.584 0.048 0.000 1.186 207 A CA 1.905 53.983 52.037 0.069 0.000 0.624 207 A CB -1.362 17.666 19.000 0.047 0.000 0.822 207 A HN 0.463 nan 8.150 nan 0.000 0.444 208 G N -1.383 107.431 108.800 0.024 0.000 2.421 208 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.216 208 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.216 208 G C 1.349 176.182 174.900 -0.112 0.000 1.171 208 G CA 1.111 46.164 45.100 -0.079 0.000 0.775 208 G HN 0.433 nan 8.290 nan 0.000 0.543 209 F N 1.606 121.574 119.950 0.030 0.000 2.325 209 F HA 0.185 4.712 4.527 -0.000 0.000 0.299 209 F C 2.934 178.719 175.800 -0.025 0.000 1.090 209 F CA 0.673 58.683 58.000 0.015 0.000 1.392 209 F CB -0.068 38.918 39.000 -0.023 0.000 1.053 209 F HN 0.237 nan 8.300 nan 0.000 0.521 210 A N 0.012 122.908 122.820 0.127 0.000 1.930 210 A HA -0.030 4.290 4.320 -0.000 0.000 0.217 210 A C 2.414 180.026 177.584 0.047 0.000 1.175 210 A CA 1.492 53.566 52.037 0.061 0.000 0.627 210 A CB -1.171 17.861 19.000 0.054 0.000 0.815 210 A HN 0.276 nan 8.150 nan 0.000 0.443 211 A N -0.330 122.512 122.820 0.037 0.000 1.933 211 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 211 A C 2.138 179.740 177.584 0.031 0.000 1.175 211 A CA 1.682 53.733 52.037 0.023 0.000 0.628 211 A CB -1.350 17.653 19.000 0.005 0.000 0.814 211 A HN 1.246 nan 8.150 nan 0.000 0.444 212 C N -2.788 116.541 119.300 0.048 0.000 2.559 212 C HA 0.467 4.927 4.460 -0.000 0.000 0.300 212 C C 0.618 175.674 174.990 0.109 0.000 1.288 212 C CA -0.357 58.710 59.018 0.081 0.000 1.699 212 C CB -0.904 26.904 27.740 0.113 0.000 1.819 212 C HN 0.490 nan 8.230 nan 0.000 0.600 213 K N -0.190 120.257 120.400 0.078 0.000 3.129 213 K HA -0.213 4.107 4.320 -0.000 0.000 0.273 213 K C 0.812 177.446 176.600 0.058 0.000 1.123 213 K CA 1.077 57.397 56.287 0.055 0.000 0.800 213 K CB -2.245 30.281 32.500 0.044 0.000 1.238 213 K HN 0.860 nan 8.250 nan 0.000 0.492 214 A N -0.243 122.616 122.820 0.064 0.000 2.147 214 A HA 0.246 4.566 4.320 -0.000 0.000 0.211 214 A C 0.927 178.250 177.584 -0.435 0.000 1.160 214 A CA 0.258 52.277 52.037 -0.029 0.000 0.781 214 A CB 0.292 19.413 19.000 0.201 0.000 0.842 214 A HN 0.219 nan 8.150 nan 0.000 0.475 215 L N -0.291 120.735 121.223 -0.328 0.000 2.344 215 L HA 0.376 4.715 4.340 -0.000 0.000 0.272 215 L C 0.651 177.427 176.870 -0.156 0.000 1.035 215 L CA -0.678 53.940 54.840 -0.371 0.000 0.807 215 L CB 1.664 43.589 42.059 -0.223 0.000 1.237 215 L HN 0.122 nan 8.230 nan 0.000 0.442 216 S N 0.036 115.671 115.700 -0.108 0.000 2.537 216 S HA 0.080 4.550 4.470 -0.000 0.000 0.286 216 S C 0.814 175.401 174.600 -0.022 0.000 1.299 216 S CA 0.133 58.312 58.200 -0.035 0.000 1.067 216 S CB 0.273 63.470 63.200 -0.005 0.000 0.864 216 S HN 0.807 nan 8.310 nan 0.000 0.494 217 T N 0.827 115.376 114.554 -0.009 0.000 3.016 217 T HA 0.215 4.565 4.350 -0.000 0.000 0.271 217 T C 0.900 175.604 174.700 0.007 0.000 0.968 217 T CA 0.117 62.217 62.100 0.001 0.000 0.891 217 T CB -0.109 68.761 68.868 0.003 0.000 1.149 217 T HN 0.762 nan 8.240 nan 0.000 0.524 218 E N 1.124 121.328 120.200 0.007 0.000 2.474 218 E HA 0.189 4.539 4.350 -0.000 0.000 0.195 218 E C 1.246 177.852 176.600 0.010 0.000 1.039 218 E CA -0.494 55.911 56.400 0.009 0.000 0.881 218 E CB 0.148 29.854 29.700 0.010 0.000 0.970 218 E HN 0.269 nan 8.360 nan 0.000 0.486 219 R N 0.563 121.069 120.500 0.010 0.000 2.727 219 R HA 0.251 4.590 4.340 -0.000 0.000 0.410 219 R C 0.439 176.744 176.300 0.009 0.000 1.101 219 R CA -0.237 55.869 56.100 0.010 0.000 1.045 219 R CB 0.247 30.554 30.300 0.012 0.000 1.380 219 R HN 0.052 nan 8.270 nan 0.000 0.587 220 N N 1.472 120.177 118.700 0.009 0.000 2.289 220 N HA -0.148 4.592 4.740 -0.000 0.000 0.184 220 N C 0.892 176.405 175.510 0.005 0.000 1.016 220 N CA 1.407 54.462 53.050 0.008 0.000 0.872 220 N CB 0.167 38.660 38.487 0.010 0.000 0.973 220 N HN 0.425 nan 8.380 nan 0.000 0.433 221 D N -1.184 119.220 120.400 0.005 0.000 2.339 221 D HA 0.016 4.656 4.640 -0.000 0.000 0.217 221 D C -0.264 176.038 176.300 0.003 0.000 1.050 221 D CA 0.158 54.160 54.000 0.003 0.000 0.856 221 D CB 0.063 40.866 40.800 0.004 0.000 0.922 221 D HN -0.091 nan 8.370 nan 0.000 0.518 222 D N -0.076 120.327 120.400 0.005 0.000 2.849 222 D HA 0.201 4.841 4.640 -0.000 0.000 0.314 222 D C -2.007 174.297 176.300 0.007 0.000 1.210 222 D CA -1.782 52.221 54.000 0.006 0.000 0.756 222 D CB 1.310 42.114 40.800 0.007 0.000 1.222 222 D HN -0.174 nan 8.370 nan 0.000 0.521 223 P HA -0.099 nan 4.420 nan 0.000 0.218 223 P C 1.431 178.737 177.300 0.011 0.000 1.149 223 P CA 1.293 64.398 63.100 0.008 0.000 0.817 223 P CB 0.037 31.739 31.700 0.004 0.000 0.785 224 T N -3.619 110.940 114.554 0.008 0.000 3.072 224 T HA 0.121 4.471 4.350 -0.000 0.000 0.266 224 T C 1.663 176.372 174.700 0.014 0.000 1.127 224 T CA 0.859 62.965 62.100 0.009 0.000 1.107 224 T CB -0.788 68.082 68.868 0.005 0.000 0.910 224 T HN 0.011 nan 8.240 nan 0.000 0.513 225 A N 0.392 123.221 122.820 0.015 0.000 2.238 225 A HA 0.775 5.095 4.320 -0.000 0.000 0.210 225 A C 2.495 180.092 177.584 0.021 0.000 1.179 225 A CA 0.652 52.701 52.037 0.021 0.000 0.827 225 A CB -0.675 18.336 19.000 0.020 0.000 0.856 225 A HN 0.619 nan 8.150 nan 0.000 0.488 226 A N -0.372 122.459 122.820 0.019 0.000 1.898 226 A HA 0.065 4.385 4.320 -0.000 0.000 0.216 226 A C 1.632 179.230 177.584 0.023 0.000 1.181 226 A CA 1.351 53.400 52.037 0.020 0.000 0.620 226 A CB -0.571 18.441 19.000 0.021 0.000 0.819 226 A HN 0.475 nan 8.150 nan 0.000 0.442 227 S N 0.764 116.479 115.700 0.024 0.000 2.416 227 S HA 0.412 4.882 4.470 -0.000 0.000 0.287 227 S C 0.220 174.824 174.600 0.006 0.000 1.139 227 S CA -0.635 57.577 58.200 0.020 0.000 1.058 227 S CB -0.188 63.028 63.200 0.026 0.000 0.967 227 S HN 0.491 nan 8.310 nan 0.000 0.495 228 R N 3.491 123.988 120.500 -0.006 0.000 2.655 228 R HA 0.332 4.672 4.340 -0.000 0.000 0.261 228 R C -3.314 172.963 176.300 -0.038 0.000 1.624 228 R CA -1.678 54.419 56.100 -0.004 0.000 1.655 228 R CB 0.062 30.372 30.300 0.016 0.000 1.356 228 R HN 0.306 nan 8.270 nan 0.000 0.684 229 P HA -0.049 nan 4.420 nan 0.000 0.264 229 P C -0.646 176.543 177.300 -0.186 0.000 1.183 229 P CA 0.414 63.342 63.100 -0.286 0.000 0.763 229 P CB 0.031 31.506 31.700 -0.375 0.000 0.807 230 Y N -1.233 119.069 120.300 0.003 0.000 4.929 230 Y HA -0.293 4.257 4.550 -0.000 0.000 0.253 230 Y C 0.685 176.585 175.900 -0.000 0.000 0.946 230 Y CA 1.142 59.243 58.100 0.002 0.000 1.905 230 Y CB -2.609 35.846 38.460 -0.008 0.000 1.400 230 Y HN 0.348 nan 8.280 nan 0.000 0.531 231 D N 0.813 121.268 120.400 0.091 0.000 2.302 231 D HA 0.216 4.856 4.640 -0.000 0.000 0.248 231 D C 1.131 177.462 176.300 0.051 0.000 1.094 231 D CA 0.161 54.201 54.000 0.067 0.000 0.897 231 D CB 0.765 41.593 40.800 0.046 0.000 1.200 231 D HN 0.281 nan 8.370 nan 0.000 0.429 232 E N 1.115 121.344 120.200 0.048 0.000 2.187 232 E HA -0.221 4.129 4.350 -0.000 0.000 0.199 232 E C 0.316 176.935 176.600 0.031 0.000 1.004 232 E CA 1.231 57.654 56.400 0.038 0.000 0.813 232 E CB 0.146 29.867 29.700 0.034 0.000 0.736 232 E HN 0.509 nan 8.360 nan 0.000 0.468 233 D N -0.549 119.869 120.400 0.029 0.000 2.368 233 D HA 0.002 4.642 4.640 -0.000 0.000 0.218 233 D C -0.218 176.094 176.300 0.020 0.000 1.112 233 D CA -0.117 53.897 54.000 0.024 0.000 0.834 233 D CB 0.236 41.051 40.800 0.024 0.000 0.953 233 D HN 0.130 nan 8.370 nan 0.000 0.505 234 R N 1.019 121.529 120.500 0.018 0.000 2.679 234 R HA 0.110 4.450 4.340 -0.000 0.000 0.268 234 R C -0.183 176.125 176.300 0.014 0.000 1.044 234 R CA 0.338 56.445 56.100 0.011 0.000 1.105 234 R CB 0.457 30.755 30.300 -0.004 0.000 0.989 234 R HN -0.055 nan 8.270 nan 0.000 0.447 235 D N 0.229 120.637 120.400 0.013 0.000 2.672 235 D HA 0.200 4.840 4.640 -0.000 0.000 0.287 235 D C 0.034 176.336 176.300 0.004 0.000 1.559 235 D CA 0.135 54.142 54.000 0.012 0.000 0.796 235 D CB 0.368 41.174 40.800 0.009 0.000 1.181 235 D HN 0.904 nan 8.370 nan 0.000 0.458 236 G N 0.508 109.316 108.800 0.013 0.000 2.362 236 G HA2 0.277 4.237 3.960 -0.000 0.000 0.656 236 G HA3 0.277 4.237 3.960 -0.000 0.000 0.656 236 G C -0.628 174.287 174.900 0.026 0.000 1.376 236 G CA -0.680 44.413 45.100 -0.012 0.000 0.971 236 G HN 0.292 nan 8.290 nan 0.000 0.636 237 F N -0.295 119.679 119.950 0.040 0.000 2.403 237 F HA 0.777 5.304 4.527 -0.000 0.000 0.320 237 F C 0.265 176.071 175.800 0.009 0.000 1.176 237 F CA -1.462 56.547 58.000 0.015 0.000 1.206 237 F CB 1.035 40.059 39.000 0.041 0.000 1.235 237 F HN 0.381 nan 8.300 nan 0.000 0.565 238 V N 4.309 124.423 119.914 0.332 0.000 2.370 238 V HA 0.226 4.346 4.120 -0.000 0.000 0.283 238 V C 0.152 176.415 176.094 0.282 0.000 1.023 238 V CA -0.747 61.680 62.300 0.211 0.000 0.857 238 V CB 1.029 32.916 31.823 0.107 0.000 0.985 238 V HN 0.925 nan 8.190 nan 0.000 0.443 239 M N 4.878 124.625 119.600 0.245 0.000 2.248 239 M HA 0.501 4.981 4.480 -0.000 0.000 0.345 239 M C 0.491 176.823 176.300 0.053 0.000 1.243 239 M CA 0.723 56.103 55.300 0.134 0.000 1.090 239 M CB 0.327 32.977 32.600 0.083 0.000 1.683 239 M HN 0.767 nan 8.290 nan 0.000 0.450 240 G N 3.815 112.610 108.800 -0.007 0.000 2.788 240 G HA2 0.763 4.723 3.960 -0.000 0.000 0.293 240 G HA3 0.763 4.723 3.960 -0.000 0.000 0.293 240 G C -1.662 173.216 174.900 -0.037 0.000 1.305 240 G CA -0.756 44.336 45.100 -0.014 0.000 1.005 240 G HN 0.800 nan 8.290 nan 0.000 0.496 241 E N -1.665 118.503 120.200 -0.053 0.000 2.393 241 E HA 0.768 5.118 4.350 -0.000 0.000 0.273 241 E C -0.093 176.383 176.600 -0.207 0.000 0.918 241 E CA -0.728 55.639 56.400 -0.054 0.000 0.773 241 E CB 2.317 32.035 29.700 0.030 0.000 1.275 241 E HN 1.602 nan 8.360 nan 0.000 0.451 242 G N -0.162 108.501 108.800 -0.228 0.000 2.302 242 G HA2 0.451 4.411 3.960 -0.000 0.000 0.276 242 G HA3 0.451 4.411 3.960 -0.000 0.000 0.276 242 G C -1.656 173.159 174.900 -0.141 0.000 1.316 242 G CA -0.324 44.519 45.100 -0.428 0.000 0.988 242 G HN 1.134 nan 8.290 nan 0.000 0.479 243 A N -1.291 121.426 122.820 -0.172 0.000 2.547 243 A HA 0.975 5.295 4.320 -0.000 0.000 0.297 243 A C -0.101 177.402 177.584 -0.134 0.000 1.056 243 A CA 0.552 52.537 52.037 -0.086 0.000 0.688 243 A CB 1.602 20.600 19.000 -0.004 0.000 1.282 243 A HN 2.398 nan 8.150 nan 0.000 0.400 244 G N 0.970 109.690 108.800 -0.132 0.000 2.513 244 G HA2 0.634 4.594 3.960 -0.000 0.000 0.317 244 G HA3 0.634 4.594 3.960 -0.000 0.000 0.317 244 G C -1.012 173.808 174.900 -0.134 0.000 1.277 244 G CA -0.400 44.598 45.100 -0.170 0.000 0.955 244 G HN 0.536 nan 8.290 nan 0.000 0.484 245 I N 1.667 122.156 120.570 -0.135 0.000 2.686 245 I HA 0.427 4.597 4.170 -0.000 0.000 0.295 245 I C -0.070 175.965 176.117 -0.137 0.000 1.114 245 I CA -0.944 60.289 61.300 -0.111 0.000 1.038 245 I CB 1.802 39.758 38.000 -0.074 0.000 1.238 245 I HN 0.429 nan 8.210 nan 0.000 0.420 246 V N 3.510 123.344 119.914 -0.133 0.000 2.715 246 V HA 0.687 4.807 4.120 -0.000 0.000 0.310 246 V C -0.415 175.611 176.094 -0.113 0.000 1.054 246 V CA -0.763 61.450 62.300 -0.145 0.000 0.928 246 V CB 1.968 33.692 31.823 -0.164 0.000 1.007 246 V HN 0.353 nan 8.190 nan 0.000 0.437 247 V N 5.487 125.339 119.914 -0.104 0.000 2.385 247 V HA 0.411 4.531 4.120 -0.000 0.000 0.269 247 V C 0.150 176.175 176.094 -0.116 0.000 1.043 247 V CA -0.179 62.061 62.300 -0.100 0.000 0.906 247 V CB 0.828 32.600 31.823 -0.083 0.000 0.995 247 V HN 0.754 nan 8.190 nan 0.000 0.467 248 L N 4.754 125.898 121.223 -0.132 0.000 2.334 248 L HA 0.719 5.059 4.340 -0.000 0.000 0.275 248 L C -0.065 176.693 176.870 -0.187 0.000 1.036 248 L CA -0.311 54.447 54.840 -0.137 0.000 0.807 248 L CB 1.695 43.680 42.059 -0.123 0.000 1.231 248 L HN 0.643 nan 8.230 nan 0.000 0.438 249 E N 1.461 121.553 120.200 -0.181 0.000 2.321 249 E HA 0.137 4.487 4.350 -0.000 0.000 0.278 249 E C -1.253 175.246 176.600 -0.167 0.000 0.902 249 E CA -0.681 55.575 56.400 -0.241 0.000 0.758 249 E CB 1.947 31.497 29.700 -0.250 0.000 1.213 249 E HN 0.472 nan 8.360 nan 0.000 0.426 250 E N 3.740 123.834 120.200 -0.178 0.000 2.413 250 E HA -0.047 4.303 4.350 -0.000 0.000 0.263 250 E C 0.729 177.302 176.600 -0.044 0.000 1.015 250 E CA -0.059 56.288 56.400 -0.089 0.000 0.916 250 E CB 1.040 30.696 29.700 -0.074 0.000 0.947 250 E HN 0.625 nan 8.360 nan 0.000 0.440 251 L N 5.402 126.610 121.223 -0.025 0.000 1.989 251 L HA -0.217 4.122 4.340 -0.000 0.000 0.211 251 L C 1.932 178.793 176.870 -0.014 0.000 1.071 251 L CA 1.933 56.759 54.840 -0.023 0.000 0.749 251 L CB -0.445 41.631 42.059 0.029 0.000 0.890 251 L HN 0.551 nan 8.230 nan 0.000 0.431 252 E N -1.027 119.181 120.200 0.013 0.000 2.110 252 E HA -0.265 4.085 4.350 -0.000 0.000 0.193 252 E C 2.191 178.793 176.600 0.003 0.000 0.988 252 E CA 1.296 57.703 56.400 0.012 0.000 0.804 252 E CB -0.700 29.013 29.700 0.021 0.000 0.745 252 E HN 0.681 nan 8.360 nan 0.000 0.458 253 H N 0.690 119.710 119.070 -0.083 0.000 2.321 253 H HA -0.045 4.511 4.556 -0.000 0.000 0.300 253 H C 1.865 177.105 175.328 -0.147 0.000 1.087 253 H CA 1.792 57.771 56.048 -0.115 0.000 1.319 253 H CB 0.180 29.844 29.762 -0.164 0.000 1.379 253 H HN 0.129 nan 8.280 nan 0.000 0.501 254 A N 1.261 124.073 122.820 -0.014 0.000 1.877 254 A HA -0.104 4.216 4.320 -0.000 0.000 0.216 254 A C 2.913 180.423 177.584 -0.123 0.000 1.186 254 A CA 1.340 53.320 52.037 -0.094 0.000 0.620 254 A CB -0.902 18.020 19.000 -0.130 0.000 0.822 254 A HN 0.416 nan 8.150 nan 0.000 0.443 255 L N -0.790 120.369 121.223 -0.107 0.000 2.046 255 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 255 L C 3.083 179.907 176.870 -0.076 0.000 1.077 255 L CA 1.069 55.857 54.840 -0.087 0.000 0.747 255 L CB -0.596 41.434 42.059 -0.049 0.000 0.896 255 L HN 0.440 nan 8.230 nan 0.000 0.432 256 A N 0.941 123.707 122.820 -0.089 0.000 1.972 256 A HA -0.202 4.118 4.320 -0.000 0.000 0.219 256 A C 2.283 179.811 177.584 -0.093 0.000 1.169 256 A CA 1.777 53.761 52.037 -0.088 0.000 0.635 256 A CB -0.498 18.439 19.000 -0.104 0.000 0.810 256 A HN 0.582 nan 8.150 nan 0.000 0.446 257 R N -1.480 118.945 120.500 -0.125 0.000 2.334 257 R HA 0.345 4.685 4.340 -0.000 0.000 0.216 257 R C 0.972 177.246 176.300 -0.043 0.000 0.905 257 R CA 0.717 56.770 56.100 -0.078 0.000 1.064 257 R CB -0.498 29.751 30.300 -0.084 0.000 1.046 257 R HN 0.766 nan 8.270 nan 0.000 0.508 258 G N 0.876 109.641 108.800 -0.058 0.000 2.198 258 G HA2 -0.313 3.646 3.960 -0.000 0.000 0.257 258 G HA3 -0.313 3.646 3.960 -0.000 0.000 0.257 258 G C 0.257 175.124 174.900 -0.055 0.000 1.042 258 G CA 0.129 45.199 45.100 -0.049 0.000 0.791 258 G HN 0.701 nan 8.290 nan 0.000 0.502 259 A N -0.109 122.667 122.820 -0.074 0.000 2.445 259 A HA 0.588 4.908 4.320 -0.000 0.000 0.242 259 A C 0.903 178.414 177.584 -0.120 0.000 1.075 259 A CA 0.652 52.641 52.037 -0.080 0.000 0.777 259 A CB 0.278 19.221 19.000 -0.093 0.000 1.013 259 A HN 1.355 nan 8.150 nan 0.000 0.493 260 K N 1.803 122.124 120.400 -0.131 0.000 2.298 260 K HA 0.500 4.820 4.320 -0.000 0.000 0.280 260 K C -1.100 175.351 176.600 -0.249 0.000 1.032 260 K CA 0.058 56.221 56.287 -0.206 0.000 0.958 260 K CB 0.541 32.885 32.500 -0.261 0.000 0.978 260 K HN 0.469 nan 8.250 nan 0.000 0.472 261 I N 4.403 124.812 120.570 -0.269 0.000 2.355 261 I HA 0.120 4.290 4.170 -0.000 0.000 0.288 261 I C 0.022 176.033 176.117 -0.177 0.000 0.999 261 I CA -0.891 60.272 61.300 -0.230 0.000 1.163 261 I CB 0.957 38.730 38.000 -0.377 0.000 1.316 261 I HN 0.716 nan 8.210 nan 0.000 0.454 262 Y N 5.018 125.267 120.300 -0.085 0.000 2.206 262 Y HA 0.266 4.816 4.550 -0.000 0.000 0.292 262 Y C 1.256 177.141 175.900 -0.024 0.000 1.123 262 Y CA 0.933 58.998 58.100 -0.058 0.000 1.142 262 Y CB 0.203 38.615 38.460 -0.080 0.000 1.006 262 Y HN 0.670 nan 8.280 nan 0.000 0.518 263 A N -0.845 122.068 122.820 0.156 0.000 2.515 263 A HA 0.445 4.765 4.320 -0.000 0.000 0.292 263 A C -1.558 176.080 177.584 0.090 0.000 1.065 263 A CA -0.822 51.286 52.037 0.118 0.000 0.641 263 A CB 0.785 19.836 19.000 0.085 0.000 1.306 263 A HN 0.053 nan 8.150 nan 0.000 0.441 264 E N 0.210 120.469 120.200 0.098 0.000 2.183 264 E HA 0.582 4.932 4.350 -0.000 0.000 0.271 264 E C -1.316 175.307 176.600 0.039 0.000 0.919 264 E CA -0.645 55.804 56.400 0.082 0.000 0.781 264 E CB 1.749 31.530 29.700 0.135 0.000 1.140 264 E HN 0.469 nan 8.360 nan 0.000 0.402 265 V N 6.991 126.912 119.914 0.011 0.000 2.405 265 V HA 0.080 4.200 4.120 -0.000 0.000 0.264 265 V C 1.002 177.105 176.094 0.014 0.000 1.048 265 V CA 0.240 62.537 62.300 -0.007 0.000 0.966 265 V CB 0.255 32.051 31.823 -0.045 0.000 1.015 265 V HN 0.675 nan 8.190 nan 0.000 0.477 266 I N 1.968 122.553 120.570 0.026 0.000 4.187 266 I HA 0.655 4.825 4.170 -0.000 0.000 0.326 266 I C 0.824 176.969 176.117 0.046 0.000 1.302 266 I CA 0.196 61.517 61.300 0.035 0.000 1.196 266 I CB 0.697 38.717 38.000 0.033 0.000 1.095 266 I HN 0.564 nan 8.210 nan 0.000 0.411 267 G N 0.346 109.180 108.800 0.057 0.000 2.706 267 G HA2 0.557 4.517 3.960 -0.000 0.000 0.297 267 G HA3 0.557 4.517 3.960 -0.000 0.000 0.297 267 G C -2.474 172.517 174.900 0.152 0.000 1.403 267 G CA -0.399 44.752 45.100 0.084 0.000 0.954 267 G HN 0.084 nan 8.290 nan 0.000 0.500 268 Y N 0.338 120.632 120.300 -0.011 0.000 2.436 268 Y HA 0.674 5.224 4.550 -0.000 0.000 0.327 268 Y C -0.300 175.595 175.900 -0.008 0.000 1.138 268 Y CA -0.952 57.137 58.100 -0.019 0.000 1.042 268 Y CB 1.806 40.257 38.460 -0.015 0.000 1.302 268 Y HN 1.002 nan 8.280 nan 0.000 0.439 269 G N 4.932 113.655 108.800 -0.128 0.000 2.612 269 G HA2 0.726 4.686 3.960 -0.000 0.000 0.298 269 G HA3 0.726 4.686 3.960 -0.000 0.000 0.298 269 G C -1.810 172.915 174.900 -0.291 0.000 1.336 269 G CA -1.109 43.857 45.100 -0.223 0.000 0.953 269 G HN 0.556 nan 8.290 nan 0.000 0.482 270 M N 0.758 120.223 119.600 -0.226 0.000 2.531 270 M HA 0.649 5.129 4.480 -0.000 0.000 0.286 270 M C -0.258 176.025 176.300 -0.029 0.000 1.232 270 M CA -0.683 54.548 55.300 -0.115 0.000 0.877 270 M CB 2.945 35.478 32.600 -0.111 0.000 1.726 270 M HN 0.844 nan 8.290 nan 0.000 0.463 271 S N 0.206 115.925 115.700 0.033 0.000 2.643 271 S HA 0.946 5.416 4.470 -0.000 0.000 0.270 271 S C -1.026 173.607 174.600 0.055 0.000 1.166 271 S CA -0.697 57.519 58.200 0.027 0.000 0.815 271 S CB 1.800 65.003 63.200 0.005 0.000 1.139 271 S HN 1.002 nan 8.310 nan 0.000 0.472 272 G N -0.246 108.576 108.800 0.037 0.000 2.566 272 G HA2 0.550 4.510 3.960 -0.000 0.000 0.311 272 G HA3 0.550 4.510 3.960 -0.000 0.000 0.311 272 G C -0.511 174.411 174.900 0.036 0.000 1.322 272 G CA -0.673 44.457 45.100 0.049 0.000 0.969 272 G HN 0.559 nan 8.290 nan 0.000 0.490 273 D N 1.815 122.246 120.400 0.052 0.000 2.149 273 D HA 0.043 4.682 4.640 -0.000 0.000 0.201 273 D C 2.162 178.525 176.300 0.106 0.000 0.972 273 D CA 1.545 55.581 54.000 0.059 0.000 0.835 273 D CB -0.004 40.852 40.800 0.093 0.000 0.966 273 D HN 0.947 nan 8.370 nan 0.000 0.476 274 A N -0.781 122.103 122.820 0.106 0.000 2.745 274 A HA -0.265 4.055 4.320 -0.000 0.000 0.296 274 A C 0.815 178.499 177.584 0.166 0.000 1.500 274 A CA 1.084 53.181 52.037 0.099 0.000 0.766 274 A CB -2.243 16.797 19.000 0.066 0.000 1.030 274 A HN 0.362 nan 8.150 nan 0.000 0.489 275 F N -0.901 119.062 119.950 0.021 0.000 2.532 275 F HA 0.407 4.934 4.527 -0.000 0.000 0.276 275 F C 0.849 176.705 175.800 0.094 0.000 0.911 275 F CA 1.454 59.480 58.000 0.043 0.000 1.196 275 F CB 0.461 39.483 39.000 0.037 0.000 1.087 275 F HN 0.593 nan 8.300 nan 0.000 0.775 276 H N 0.235 119.192 119.070 -0.189 0.000 3.064 276 H HA 0.265 4.821 4.556 -0.000 0.000 0.352 276 H C 0.899 176.151 175.328 -0.126 0.000 1.260 276 H CA 0.173 56.035 56.048 -0.310 0.000 1.160 276 H CB 1.790 31.284 29.762 -0.447 0.000 1.879 276 H HN 0.233 nan 8.280 nan 0.000 0.544 277 I N 0.591 120.880 120.570 -0.470 0.000 2.361 277 I HA -0.126 4.044 4.170 -0.000 0.000 0.251 277 I C 1.281 177.299 176.117 -0.165 0.000 1.133 277 I CA 2.220 63.370 61.300 -0.249 0.000 1.413 277 I CB -0.245 37.578 38.000 -0.294 0.000 1.073 277 I HN 0.538 nan 8.210 nan 0.000 0.424 278 T N -2.234 112.317 114.554 -0.005 0.000 3.048 278 T HA 0.519 4.869 4.350 -0.000 0.000 0.254 278 T C 0.899 175.523 174.700 -0.126 0.000 0.942 278 T CA 0.256 62.126 62.100 -0.383 0.000 0.931 278 T CB -0.380 68.183 68.868 -0.509 0.000 1.220 278 T HN 0.363 nan 8.240 nan 0.000 0.503 279 A N 4.028 126.909 122.820 0.101 0.000 2.388 279 A HA 0.657 4.977 4.320 -0.000 0.000 0.257 279 A C -2.263 175.427 177.584 0.177 0.000 1.095 279 A CA -1.342 50.681 52.037 -0.023 0.000 0.791 279 A CB -0.128 18.652 19.000 -0.368 0.000 1.029 279 A HN 0.408 nan 8.150 nan 0.000 0.489 280 P HA 0.248 nan 4.420 nan 0.000 0.277 280 P C 0.204 177.467 177.300 -0.061 0.000 1.240 280 P CA -0.118 63.026 63.100 0.074 0.000 0.798 280 P CB 0.567 32.291 31.700 0.040 0.000 0.979 281 T N -2.508 111.884 114.554 -0.271 0.000 2.855 281 T HA 0.218 4.568 4.350 -0.000 0.000 0.314 281 T C 1.558 176.001 174.700 -0.429 0.000 1.077 281 T CA 0.385 62.057 62.100 -0.714 0.000 1.095 281 T CB -0.201 68.341 68.868 -0.544 0.000 0.987 281 T HN 0.500 nan 8.240 nan 0.000 0.546 282 E N 0.895 120.824 120.200 -0.452 0.000 2.208 282 E HA -0.052 4.298 4.350 -0.000 0.000 0.193 282 E C 2.362 178.854 176.600 -0.181 0.000 0.988 282 E CA 1.420 57.680 56.400 -0.232 0.000 0.828 282 E CB -0.866 28.727 29.700 -0.179 0.000 0.763 282 E HN 0.905 nan 8.360 nan 0.000 0.478 283 S N -1.968 113.603 115.700 -0.215 0.000 2.470 283 S HA 0.372 4.842 4.470 -0.000 0.000 0.222 283 S C 2.182 176.692 174.600 -0.150 0.000 1.024 283 S CA 0.977 59.083 58.200 -0.157 0.000 0.931 283 S CB 0.147 63.256 63.200 -0.151 0.000 0.791 283 S HN 1.611 nan 8.310 nan 0.000 0.513 284 G N 2.337 111.023 108.800 -0.189 0.000 2.203 284 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.263 284 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.263 284 G C 0.615 175.394 174.900 -0.202 0.000 1.012 284 G CA 0.875 45.850 45.100 -0.208 0.000 0.749 284 G HN 0.804 nan 8.290 nan 0.000 0.512 285 E N -0.287 119.812 120.200 -0.169 0.000 2.110 285 E HA 0.087 4.437 4.350 -0.000 0.000 0.193 285 E C 2.429 178.950 176.600 -0.132 0.000 0.988 285 E CA 1.964 58.286 56.400 -0.130 0.000 0.804 285 E CB -0.998 28.639 29.700 -0.104 0.000 0.745 285 E HN 0.695 nan 8.360 nan 0.000 0.458 286 G N 0.659 109.368 108.800 -0.152 0.000 2.402 286 G HA2 -0.175 3.784 3.960 -0.000 0.000 0.216 286 G HA3 -0.175 3.784 3.960 -0.000 0.000 0.216 286 G C 1.791 176.574 174.900 -0.195 0.000 1.162 286 G CA 1.095 46.116 45.100 -0.132 0.000 0.777 286 G HN 0.502 nan 8.290 nan 0.000 0.539 287 A N 0.401 122.988 122.820 -0.388 0.000 1.902 287 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 287 A C 2.290 179.726 177.584 -0.247 0.000 1.181 287 A CA 2.123 53.773 52.037 -0.645 0.000 0.623 287 A CB -0.573 17.682 19.000 -1.242 0.000 0.818 287 A HN 0.485 nan 8.150 nan 0.000 0.443 288 Q N -0.453 119.239 119.800 -0.180 0.000 2.061 288 Q HA -0.218 4.122 4.340 -0.000 0.000 0.204 288 Q C 2.290 178.262 176.000 -0.048 0.000 0.984 288 Q CA 1.799 57.551 55.803 -0.084 0.000 0.846 288 Q CB -0.164 28.527 28.738 -0.079 0.000 0.902 288 Q HN 0.660 nan 8.270 nan 0.000 0.421 289 R N -0.346 120.120 120.500 -0.057 0.000 2.096 289 R HA -0.141 4.199 4.340 -0.000 0.000 0.235 289 R C 2.650 178.940 176.300 -0.016 0.000 1.127 289 R CA 1.199 57.279 56.100 -0.034 0.000 0.968 289 R CB -0.677 29.601 30.300 -0.036 0.000 0.861 289 R HN 0.429 nan 8.270 nan 0.000 0.440 290 C N 0.798 120.096 119.300 -0.003 0.000 2.436 290 C HA -0.092 4.368 4.460 -0.000 0.000 0.277 290 C C 2.603 177.623 174.990 0.050 0.000 1.241 290 C CA 0.894 59.934 59.018 0.037 0.000 1.721 290 C CB -0.713 27.102 27.740 0.126 0.000 2.043 290 C HN 0.461 nan 8.230 nan 0.000 0.472 291 M N 0.060 119.707 119.600 0.077 0.000 2.080 291 M HA -0.147 4.332 4.480 -0.000 0.000 0.260 291 M C 2.100 178.417 176.300 0.029 0.000 1.068 291 M CA 1.810 57.150 55.300 0.068 0.000 1.109 291 M CB -0.580 32.069 32.600 0.081 0.000 1.342 291 M HN 0.328 nan 8.290 nan 0.000 0.405 292 V N 0.457 120.379 119.914 0.013 0.000 2.332 292 V HA -0.287 3.833 4.120 -0.000 0.000 0.248 292 V C 2.630 178.724 176.094 -0.000 0.000 1.055 292 V CA 2.071 64.372 62.300 0.003 0.000 1.038 292 V CB -1.215 30.604 31.823 -0.006 0.000 0.651 292 V HN 0.541 nan 8.190 nan 0.000 0.450 293 A N -0.114 122.702 122.820 -0.007 0.000 1.902 293 A HA -0.119 4.201 4.320 -0.000 0.000 0.217 293 A C 2.429 180.006 177.584 -0.011 0.000 1.181 293 A CA 2.120 54.147 52.037 -0.018 0.000 0.623 293 A CB -0.796 18.181 19.000 -0.039 0.000 0.818 293 A HN 0.577 nan 8.150 nan 0.000 0.443 294 A N -0.296 122.524 122.820 -0.001 0.000 1.902 294 A HA -0.020 4.300 4.320 -0.000 0.000 0.217 294 A C 2.157 179.757 177.584 0.027 0.000 1.181 294 A CA 1.500 53.551 52.037 0.023 0.000 0.623 294 A CB -0.593 18.430 19.000 0.040 0.000 0.818 294 A HN 0.475 nan 8.150 nan 0.000 0.443 295 L N -0.797 120.438 121.223 0.020 0.000 2.093 295 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 295 L C 2.585 179.463 176.870 0.014 0.000 1.085 295 L CA 1.753 56.604 54.840 0.018 0.000 0.755 295 L CB -0.394 41.673 42.059 0.014 0.000 0.904 295 L HN 0.435 nan 8.230 nan 0.000 0.435 296 K N 0.462 120.868 120.400 0.010 0.000 2.057 296 K HA -0.234 4.086 4.320 -0.000 0.000 0.206 296 K C 2.365 178.971 176.600 0.011 0.000 1.050 296 K CA 1.242 57.533 56.287 0.007 0.000 0.935 296 K CB 0.048 32.549 32.500 0.001 0.000 0.715 296 K HN -0.037 nan 8.250 nan 0.000 0.439 297 R N 0.744 121.253 120.500 0.015 0.000 2.105 297 R HA -0.058 4.282 4.340 -0.000 0.000 0.239 297 R C 1.797 178.115 176.300 0.030 0.000 1.135 297 R CA 1.821 57.936 56.100 0.025 0.000 0.967 297 R CB -0.693 29.628 30.300 0.036 0.000 0.861 297 R HN 0.294 nan 8.270 nan 0.000 0.442 298 A N -0.830 122.008 122.820 0.030 0.000 2.119 298 A HA 0.205 4.525 4.320 -0.000 0.000 0.217 298 A C 1.489 179.085 177.584 0.020 0.000 1.153 298 A CA 0.913 52.967 52.037 0.029 0.000 0.692 298 A CB -0.689 18.328 19.000 0.030 0.000 0.799 298 A HN 0.610 nan 8.150 nan 0.000 0.458 299 G N -0.375 108.435 108.800 0.016 0.000 2.198 299 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.257 299 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.257 299 G C 0.111 175.017 174.900 0.010 0.000 1.042 299 G CA 0.561 45.668 45.100 0.011 0.000 0.791 299 G HN 1.471 nan 8.290 nan 0.000 0.502 300 I N -2.764 117.813 120.570 0.011 0.000 2.957 300 I HA 0.908 5.077 4.170 -0.000 0.000 0.310 300 I C 0.452 176.574 176.117 0.009 0.000 1.063 300 I CA -1.582 59.724 61.300 0.010 0.000 1.033 300 I CB 2.256 40.264 38.000 0.013 0.000 1.230 300 I HN 0.324 nan 8.210 nan 0.000 0.447 301 V N 0.237 120.156 119.914 0.008 0.000 2.966 301 V HA 0.560 4.680 4.120 -0.000 0.000 0.317 301 V C -2.148 173.951 176.094 0.008 0.000 1.070 301 V CA -1.636 60.667 62.300 0.006 0.000 1.008 301 V CB 0.805 32.630 31.823 0.004 0.000 1.070 301 V HN 0.693 nan 8.190 nan 0.000 0.457 302 P HA -0.120 nan 4.420 nan 0.000 0.218 302 P C 1.138 178.443 177.300 0.008 0.000 1.148 302 P CA 1.778 64.881 63.100 0.006 0.000 0.822 302 P CB 0.100 31.802 31.700 0.003 0.000 0.784 303 D N -0.436 119.968 120.400 0.007 0.000 2.265 303 D HA -0.174 4.466 4.640 -0.000 0.000 0.208 303 D C 1.483 177.790 176.300 0.012 0.000 0.977 303 D CA 0.986 54.991 54.000 0.008 0.000 0.871 303 D CB -0.205 40.599 40.800 0.006 0.000 0.925 303 D HN 0.250 nan 8.370 nan 0.000 0.485 304 E N -0.757 119.451 120.200 0.013 0.000 2.478 304 E HA 0.098 4.448 4.350 -0.000 0.000 0.194 304 E C 0.203 176.819 176.600 0.025 0.000 1.045 304 E CA -0.154 56.256 56.400 0.017 0.000 0.868 304 E CB 0.520 30.229 29.700 0.015 0.000 0.885 304 E HN 0.398 nan 8.360 nan 0.000 0.505 305 I N 1.962 122.547 120.570 0.024 0.000 2.496 305 I HA -0.040 4.130 4.170 -0.000 0.000 0.285 305 I C 0.813 176.957 176.117 0.044 0.000 1.080 305 I CA 0.002 61.321 61.300 0.030 0.000 1.404 305 I CB 0.849 38.858 38.000 0.016 0.000 1.403 305 I HN -0.059 nan 8.210 nan 0.000 0.539 306 D N 4.124 124.568 120.400 0.073 0.000 2.490 306 D HA -0.005 4.634 4.640 -0.000 0.000 0.244 306 D C -0.394 176.007 176.300 0.167 0.000 0.979 306 D CA 1.047 55.108 54.000 0.102 0.000 0.924 306 D CB 0.467 41.330 40.800 0.105 0.000 1.075 306 D HN 0.393 nan 8.370 nan 0.000 0.488 307 Y N 0.857 121.175 120.300 0.031 0.000 2.406 307 Y HA 0.487 5.037 4.550 -0.000 0.000 0.340 307 Y C -1.492 174.432 175.900 0.039 0.000 0.975 307 Y CA -1.066 57.056 58.100 0.038 0.000 1.056 307 Y CB 1.181 39.674 38.460 0.054 0.000 1.210 307 Y HN -0.267 nan 8.280 nan 0.000 0.448 308 I N 6.229 126.376 120.570 -0.705 0.000 2.389 308 I HA 0.252 4.422 4.170 -0.000 0.000 0.288 308 I C -0.433 175.097 176.117 -0.978 0.000 0.999 308 I CA -0.793 60.138 61.300 -0.614 0.000 1.129 308 I CB 1.442 39.291 38.000 -0.252 0.000 1.288 308 I HN 0.612 nan 8.210 nan 0.000 0.444 309 N N 6.047 124.322 118.700 -0.708 0.000 2.439 309 N HA 0.315 5.055 4.740 -0.000 0.000 0.243 309 N C -0.242 175.189 175.510 -0.131 0.000 1.088 309 N CA -0.122 52.750 53.050 -0.297 0.000 0.940 309 N CB 1.217 39.713 38.487 0.015 0.000 1.180 309 N HN 0.749 nan 8.380 nan 0.000 0.505 310 A N 2.741 125.529 122.820 -0.053 0.000 2.386 310 A HA 0.019 4.339 4.320 -0.000 0.000 0.246 310 A C 1.243 178.815 177.584 -0.020 0.000 1.089 310 A CA -0.051 52.001 52.037 0.025 0.000 0.790 310 A CB 0.204 19.315 19.000 0.184 0.000 1.042 310 A HN 0.920 nan 8.150 nan 0.000 0.497 311 H N 1.009 119.997 119.070 -0.137 0.000 2.299 311 H HA 0.104 4.660 4.556 -0.000 0.000 0.302 311 H C 1.497 176.729 175.328 -0.160 0.000 1.078 311 H CA 1.840 57.763 56.048 -0.208 0.000 1.323 311 H CB -0.612 29.005 29.762 -0.242 0.000 1.381 311 H HN 1.225 nan 8.280 nan 0.000 0.498 312 G N 0.613 109.314 108.800 -0.165 0.000 2.266 312 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.269 312 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.269 312 G C 0.944 175.592 174.900 -0.421 0.000 0.863 312 G CA 0.960 45.861 45.100 -0.330 0.000 1.268 312 G HN 0.824 nan 8.290 nan 0.000 0.426 313 T N -2.293 111.988 114.554 -0.456 0.000 3.148 313 T HA 0.378 4.728 4.350 -0.000 0.000 0.253 313 T C 1.332 175.961 174.700 -0.119 0.000 1.134 313 T CA 1.070 62.940 62.100 -0.383 0.000 1.051 313 T CB 0.276 68.906 68.868 -0.397 0.000 0.959 313 T HN 1.833 nan 8.240 nan 0.000 0.525 314 S N 0.856 116.463 115.700 -0.154 0.000 3.909 314 S HA -0.132 4.338 4.470 -0.000 0.000 0.326 314 S C 0.274 174.874 174.600 -0.000 0.000 1.083 314 S CA 0.627 58.779 58.200 -0.081 0.000 0.939 314 S CB -2.010 61.173 63.200 -0.029 0.000 0.886 314 S HN 1.222 nan 8.310 nan 0.000 0.496 315 T N -1.415 113.144 114.554 0.008 0.000 2.910 315 T HA 0.698 5.048 4.350 -0.000 0.000 0.287 315 T C 1.540 176.264 174.700 0.040 0.000 1.050 315 T CA -0.686 61.453 62.100 0.064 0.000 1.011 315 T CB 0.858 69.818 68.868 0.155 0.000 1.195 315 T HN 0.004 nan 8.240 nan 0.000 0.540 316 M N 0.668 120.300 119.600 0.054 0.000 2.144 316 M HA -0.045 4.435 4.480 -0.000 0.000 0.260 316 M C 2.565 178.894 176.300 0.049 0.000 1.067 316 M CA 1.954 57.280 55.300 0.043 0.000 1.095 316 M CB -1.940 30.684 32.600 0.040 0.000 1.365 316 M HN 0.950 nan 8.290 nan 0.000 0.406 317 A N 0.054 122.917 122.820 0.071 0.000 2.178 317 A HA -0.161 4.159 4.320 -0.000 0.000 0.218 317 A C 1.623 179.260 177.584 0.087 0.000 1.157 317 A CA 1.487 53.573 52.037 0.082 0.000 0.689 317 A CB -0.703 18.374 19.000 0.129 0.000 0.787 317 A HN 0.400 nan 8.150 nan 0.000 0.465 318 D N 0.215 120.641 120.400 0.042 0.000 2.149 318 D HA -0.170 4.470 4.640 -0.000 0.000 0.194 318 D C 2.267 178.668 176.300 0.169 0.000 1.001 318 D CA 2.218 56.215 54.000 -0.006 0.000 0.849 318 D CB -0.653 39.996 40.800 -0.251 0.000 0.939 318 D HN 0.645 nan 8.370 nan 0.000 0.449 319 T N -1.399 113.238 114.554 0.139 0.000 2.951 319 T HA 0.004 4.354 4.350 -0.000 0.000 0.268 319 T C 2.266 177.021 174.700 0.092 0.000 1.073 319 T CA 0.336 62.523 62.100 0.145 0.000 1.134 319 T CB -0.373 68.551 68.868 0.094 0.000 0.884 319 T HN 0.154 nan 8.240 nan 0.000 0.479 320 I N 1.512 122.120 120.570 0.063 0.000 2.252 320 I HA -0.085 4.085 4.170 -0.000 0.000 0.245 320 I C 2.897 179.026 176.117 0.020 0.000 1.102 320 I CA 1.590 62.899 61.300 0.015 0.000 1.385 320 I CB -0.382 37.606 38.000 -0.020 0.000 1.064 320 I HN 0.347 nan 8.210 nan 0.000 0.414 321 E N 1.248 121.500 120.200 0.086 0.000 2.077 321 E HA -0.265 4.085 4.350 -0.000 0.000 0.193 321 E C 2.249 178.931 176.600 0.136 0.000 0.989 321 E CA 1.161 57.637 56.400 0.128 0.000 0.800 321 E CB -0.008 29.871 29.700 0.298 0.000 0.746 321 E HN 0.303 nan 8.360 nan 0.000 0.452 322 L N 0.816 122.142 121.223 0.172 0.000 2.012 322 L HA -0.046 4.293 4.340 -0.000 0.000 0.210 322 L C 2.257 179.146 176.870 0.032 0.000 1.073 322 L CA 2.526 57.423 54.840 0.095 0.000 0.748 322 L CB -1.104 41.004 42.059 0.081 0.000 0.891 322 L HN 0.217 nan 8.230 nan 0.000 0.431 323 G N -1.039 107.776 108.800 0.026 0.000 2.446 323 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.217 323 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.217 323 G C 1.606 176.497 174.900 -0.016 0.000 1.168 323 G CA 1.047 46.145 45.100 -0.003 0.000 0.771 323 G HN 0.680 nan 8.290 nan 0.000 0.551 324 A N 0.063 122.869 122.820 -0.024 0.000 1.877 324 A HA 0.048 4.368 4.320 -0.000 0.000 0.216 324 A C 2.630 180.205 177.584 -0.015 0.000 1.186 324 A CA 1.936 53.947 52.037 -0.043 0.000 0.620 324 A CB -0.759 18.184 19.000 -0.096 0.000 0.822 324 A HN 0.279 nan 8.150 nan 0.000 0.443 325 V N 0.146 120.069 119.914 0.015 0.000 2.287 325 V HA -0.315 3.805 4.120 -0.000 0.000 0.248 325 V C 2.423 178.516 176.094 -0.002 0.000 1.053 325 V CA 2.441 64.753 62.300 0.021 0.000 1.027 325 V CB -0.935 30.908 31.823 0.032 0.000 0.646 325 V HN 0.660 nan 8.190 nan 0.000 0.447 326 E N -0.350 119.844 120.200 -0.010 0.000 2.085 326 E HA -0.242 4.108 4.350 -0.000 0.000 0.194 326 E C 2.484 179.075 176.600 -0.015 0.000 0.994 326 E CA 1.297 57.688 56.400 -0.016 0.000 0.801 326 E CB -0.193 29.496 29.700 -0.019 0.000 0.743 326 E HN 0.537 nan 8.360 nan 0.000 0.453 327 R N 0.238 120.728 120.500 -0.017 0.000 2.075 327 R HA -0.096 4.244 4.340 -0.000 0.000 0.232 327 R C 2.447 178.738 176.300 -0.015 0.000 1.126 327 R CA 1.095 57.184 56.100 -0.019 0.000 0.963 327 R CB -0.338 29.946 30.300 -0.026 0.000 0.858 327 R HN 0.080 nan 8.270 nan 0.000 0.435 328 V N 1.038 120.945 119.914 -0.012 0.000 2.343 328 V HA -0.191 3.929 4.120 -0.000 0.000 0.247 328 V C 2.361 178.453 176.094 -0.004 0.000 1.051 328 V CA 1.940 64.236 62.300 -0.006 0.000 1.036 328 V CB -0.293 31.531 31.823 0.002 0.000 0.654 328 V HN 0.309 nan 8.190 nan 0.000 0.451 329 V N -1.977 117.934 119.914 -0.005 0.000 3.354 329 V HA 0.461 4.581 4.120 -0.000 0.000 0.258 329 V C 1.499 177.590 176.094 -0.006 0.000 1.159 329 V CA 0.872 63.169 62.300 -0.004 0.000 1.125 329 V CB -0.735 31.085 31.823 -0.005 0.000 0.774 329 V HN 0.653 nan 8.190 nan 0.000 0.464 330 G N 1.442 110.237 108.800 -0.008 0.000 2.651 330 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.315 330 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.315 330 G C 0.667 175.562 174.900 -0.008 0.000 1.258 330 G CA 0.726 45.821 45.100 -0.008 0.000 1.002 330 G HN 0.477 nan 8.290 nan 0.000 0.551 331 E N 1.238 121.435 120.200 -0.006 0.000 2.482 331 E HA 0.193 4.543 4.350 -0.000 0.000 0.196 331 E C 2.600 179.197 176.600 -0.004 0.000 1.047 331 E CA 1.109 57.506 56.400 -0.005 0.000 0.869 331 E CB -0.386 29.312 29.700 -0.004 0.000 0.836 331 E HN 0.768 nan 8.360 nan 0.000 0.520 332 A N 0.986 123.804 122.820 -0.003 0.000 2.168 332 A HA 0.099 4.418 4.320 -0.000 0.000 0.215 332 A C 2.329 179.912 177.584 -0.003 0.000 1.152 332 A CA 1.048 53.084 52.037 -0.001 0.000 0.716 332 A CB -0.219 18.782 19.000 0.002 0.000 0.794 332 A HN 0.227 nan 8.150 nan 0.000 0.465 333 A N 0.409 123.224 122.820 -0.008 0.000 1.903 333 A HA -0.039 4.281 4.320 -0.000 0.000 0.219 333 A C 2.394 179.971 177.584 -0.012 0.000 1.191 333 A CA 2.236 54.265 52.037 -0.013 0.000 0.638 333 A CB -0.995 17.994 19.000 -0.019 0.000 0.823 333 A HN 1.186 nan 8.150 nan 0.000 0.451 334 A N -1.273 121.542 122.820 -0.009 0.000 2.172 334 A HA -0.025 4.295 4.320 -0.000 0.000 0.216 334 A C 1.920 179.504 177.584 -0.001 0.000 1.154 334 A CA 1.480 53.513 52.037 -0.007 0.000 0.701 334 A CB -0.255 18.741 19.000 -0.006 0.000 0.789 334 A HN 0.582 nan 8.150 nan 0.000 0.465 335 K N -0.951 119.452 120.400 0.004 0.000 2.354 335 K HA 0.329 4.649 4.320 -0.000 0.000 0.194 335 K C -0.313 176.300 176.600 0.021 0.000 1.038 335 K CA 0.008 56.302 56.287 0.011 0.000 1.052 335 K CB 0.465 32.972 32.500 0.012 0.000 0.861 335 K HN 0.414 nan 8.250 nan 0.000 0.535 336 I N 1.336 121.916 120.570 0.017 0.000 2.385 336 I HA 0.075 4.245 4.170 -0.000 0.000 0.294 336 I C -0.198 175.940 176.117 0.035 0.000 0.988 336 I CA -0.361 60.956 61.300 0.028 0.000 1.265 336 I CB 1.859 39.864 38.000 0.009 0.000 1.388 336 I HN -0.121 nan 8.210 nan 0.000 0.480 337 S N 7.302 123.054 115.700 0.086 0.000 2.462 337 S HA 0.582 5.052 4.470 -0.000 0.000 0.294 337 S C -0.474 174.196 174.600 0.117 0.000 1.144 337 S CA -0.608 57.664 58.200 0.121 0.000 1.088 337 S CB 1.240 64.556 63.200 0.193 0.000 1.009 337 S HN 0.550 nan 8.310 nan 0.000 0.484 338 M N 3.886 123.506 119.600 0.033 0.000 2.259 338 M HA 0.512 4.992 4.480 -0.000 0.000 0.304 338 M C -0.930 175.392 176.300 0.036 0.000 1.019 338 M CA -0.215 55.054 55.300 -0.052 0.000 0.922 338 M CB 1.311 33.850 32.600 -0.103 0.000 1.600 338 M HN 0.730 nan 8.290 nan 0.000 0.433 339 S N 2.394 118.169 115.700 0.125 0.000 2.595 339 S HA 0.696 5.166 4.470 -0.000 0.000 0.281 339 S C -1.015 173.703 174.600 0.196 0.000 1.117 339 S CA -0.821 57.497 58.200 0.198 0.000 0.873 339 S CB 2.002 65.343 63.200 0.235 0.000 1.108 339 S HN 0.683 nan 8.310 nan 0.000 0.477 340 S N 0.865 116.680 115.700 0.193 0.000 2.474 340 S HA 0.431 4.901 4.470 -0.000 0.000 0.321 340 S C 1.020 175.665 174.600 0.073 0.000 1.080 340 S CA -0.122 58.141 58.200 0.104 0.000 1.106 340 S CB 0.374 63.584 63.200 0.017 0.000 0.984 340 S HN 0.959 nan 8.310 nan 0.000 0.464 341 T N 2.631 117.247 114.554 0.102 0.000 3.113 341 T HA 0.073 4.423 4.350 -0.000 0.000 0.263 341 T C 1.272 176.014 174.700 0.069 0.000 1.143 341 T CA 0.432 62.583 62.100 0.085 0.000 1.090 341 T CB -0.251 68.724 68.868 0.179 0.000 0.922 341 T HN 0.663 nan 8.240 nan 0.000 0.521 342 K N 1.908 122.318 120.400 0.015 0.000 2.362 342 K HA -0.050 4.270 4.320 -0.000 0.000 0.200 342 K C 2.630 179.219 176.600 -0.018 0.000 1.046 342 K CA 1.243 57.511 56.287 -0.030 0.000 0.952 342 K CB -0.239 32.171 32.500 -0.151 0.000 0.753 342 K HN 0.621 nan 8.250 nan 0.000 0.466 343 S N 0.110 115.801 115.700 -0.015 0.000 2.419 343 S HA -0.098 4.372 4.470 -0.000 0.000 0.233 343 S C 1.895 176.494 174.600 -0.002 0.000 1.016 343 S CA 1.416 59.612 58.200 -0.008 0.000 0.974 343 S CB 0.013 63.212 63.200 -0.002 0.000 0.786 343 S HN 0.088 nan 8.310 nan 0.000 0.492 344 S N 1.632 117.330 115.700 -0.003 0.000 2.510 344 S HA 0.360 4.830 4.470 -0.000 0.000 0.230 344 S C 1.649 176.257 174.600 0.015 0.000 1.066 344 S CA 0.450 58.644 58.200 -0.010 0.000 0.941 344 S CB -0.184 62.985 63.200 -0.052 0.000 0.829 344 S HN 0.772 nan 8.310 nan 0.000 0.530 345 I N -0.840 119.757 120.570 0.045 0.000 4.082 345 I HA 0.551 4.721 4.170 -0.000 0.000 0.337 345 I C 0.877 177.020 176.117 0.043 0.000 1.352 345 I CA -0.112 61.224 61.300 0.060 0.000 1.097 345 I CB -0.262 37.812 38.000 0.123 0.000 1.048 345 I HN 0.294 nan 8.210 nan 0.000 0.393 346 G N 2.263 111.085 108.800 0.036 0.000 2.645 346 G HA2 -0.324 3.635 3.960 -0.000 0.000 0.239 346 G HA3 -0.324 3.635 3.960 -0.000 0.000 0.239 346 G C -0.740 174.174 174.900 0.023 0.000 1.331 346 G CA 0.172 45.296 45.100 0.040 0.000 0.890 346 G HN 0.680 nan 8.290 nan 0.000 0.572 347 H N 0.424 119.407 119.070 -0.146 0.000 2.641 347 H HA 0.565 5.121 4.556 -0.000 0.000 0.295 347 H C 1.022 176.173 175.328 -0.295 0.000 1.070 347 H CA -1.037 54.810 56.048 -0.334 0.000 1.257 347 H CB 0.704 30.004 29.762 -0.770 0.000 1.393 347 H HN 0.336 nan 8.280 nan 0.000 0.464 348 L N 6.588 127.817 121.223 0.009 0.000 2.645 348 L HA 0.056 4.396 4.340 -0.000 0.000 0.235 348 L C 1.372 178.108 176.870 -0.223 0.000 1.150 348 L CA 0.525 55.297 54.840 -0.113 0.000 0.911 348 L CB -0.982 41.032 42.059 -0.074 0.000 1.077 348 L HN 0.754 nan 8.230 nan 0.000 0.438 349 L N -1.452 119.479 121.223 -0.488 0.000 5.712 349 L HA -0.412 3.928 4.340 -0.000 0.000 0.053 349 L C 1.885 178.637 176.870 -0.195 0.000 2.787 349 L CA 1.281 55.758 54.840 -0.604 0.000 1.527 349 L CB -1.808 39.901 42.059 -0.583 0.000 2.908 349 L HN 0.267 nan 8.230 nan 0.000 0.994 350 G N -1.138 107.568 108.800 -0.155 0.000 2.470 350 G HA2 0.056 4.016 3.960 -0.000 0.000 0.220 350 G HA3 0.056 4.016 3.960 -0.000 0.000 0.220 350 G C 1.222 176.087 174.900 -0.058 0.000 1.121 350 G CA 1.239 46.292 45.100 -0.077 0.000 0.766 350 G HN 0.851 nan 8.290 nan 0.000 0.553 351 A N 0.288 123.066 122.820 -0.071 0.000 2.238 351 A HA 0.655 4.975 4.320 -0.000 0.000 0.210 351 A C 2.542 180.074 177.584 -0.087 0.000 1.179 351 A CA 1.266 53.261 52.037 -0.071 0.000 0.827 351 A CB -0.205 18.755 19.000 -0.066 0.000 0.856 351 A HN 0.504 nan 8.150 nan 0.000 0.488 352 A N 0.163 122.949 122.820 -0.056 0.000 1.865 352 A HA 0.047 4.367 4.320 -0.000 0.000 0.217 352 A C 2.336 179.869 177.584 -0.086 0.000 1.191 352 A CA 1.934 53.944 52.037 -0.044 0.000 0.623 352 A CB -1.346 17.684 19.000 0.050 0.000 0.826 352 A HN 0.735 nan 8.150 nan 0.000 0.444 353 G N -1.013 107.743 108.800 -0.072 0.000 2.448 353 G HA2 0.071 4.030 3.960 -0.000 0.000 0.219 353 G HA3 0.071 4.030 3.960 -0.000 0.000 0.219 353 G C 1.608 176.428 174.900 -0.134 0.000 1.127 353 G CA 1.401 46.442 45.100 -0.099 0.000 0.766 353 G HN 0.792 nan 8.290 nan 0.000 0.552 354 A N 1.206 123.941 122.820 -0.141 0.000 1.855 354 A HA 0.415 4.735 4.320 -0.000 0.000 0.213 354 A C 2.829 180.259 177.584 -0.257 0.000 1.195 354 A CA 1.894 53.827 52.037 -0.172 0.000 0.610 354 A CB -0.872 18.044 19.000 -0.140 0.000 0.837 354 A HN 0.705 nan 8.150 nan 0.000 0.444 355 A N 0.031 122.669 122.820 -0.303 0.000 1.917 355 A HA -0.233 4.087 4.320 -0.000 0.000 0.219 355 A C 1.889 179.040 177.584 -0.721 0.000 1.182 355 A CA 1.955 53.665 52.037 -0.545 0.000 0.633 355 A CB -0.581 18.142 19.000 -0.462 0.000 0.819 355 A HN 0.638 nan 8.150 nan 0.000 0.448 356 E N -0.590 119.394 120.200 -0.360 0.000 2.216 356 E HA 0.078 4.428 4.350 -0.000 0.000 0.192 356 E C 2.206 178.748 176.600 -0.095 0.000 0.988 356 E CA 0.632 56.945 56.400 -0.145 0.000 0.834 356 E CB -0.208 29.477 29.700 -0.025 0.000 0.772 356 E HN 0.632 nan 8.360 nan 0.000 0.479 357 A N 0.761 123.483 122.820 -0.162 0.000 1.898 357 A HA -0.130 4.190 4.320 -0.000 0.000 0.216 357 A C 2.432 179.911 177.584 -0.175 0.000 1.181 357 A CA 0.974 52.928 52.037 -0.138 0.000 0.620 357 A CB -0.567 18.340 19.000 -0.155 0.000 0.819 357 A HN 0.115 nan 8.150 nan 0.000 0.442 358 V N -0.729 119.016 119.914 -0.281 0.000 2.287 358 V HA -0.249 3.871 4.120 -0.000 0.000 0.248 358 V C 2.361 178.317 176.094 -0.229 0.000 1.053 358 V CA 2.086 64.191 62.300 -0.327 0.000 1.027 358 V CB -1.028 30.555 31.823 -0.401 0.000 0.646 358 V HN 0.543 nan 8.190 nan 0.000 0.447 359 F N 0.841 120.705 119.950 -0.143 0.000 2.134 359 F HA -0.120 4.407 4.527 -0.000 0.000 0.299 359 F C 2.721 178.465 175.800 -0.094 0.000 1.097 359 F CA 1.366 59.306 58.000 -0.099 0.000 1.264 359 F CB -1.449 37.663 39.000 0.187 0.000 1.001 359 F HN 0.075 nan 8.300 nan 0.000 0.479 360 S N -0.632 115.183 115.700 0.191 0.000 2.382 360 S HA -0.158 4.312 4.470 -0.000 0.000 0.228 360 S C 2.114 176.743 174.600 0.048 0.000 1.027 360 S CA 1.679 60.000 58.200 0.202 0.000 0.991 360 S CB -0.603 62.693 63.200 0.161 0.000 0.823 360 S HN 0.396 nan 8.310 nan 0.000 0.469 361 T N 2.770 117.279 114.554 -0.075 0.000 2.708 361 T HA 0.033 4.383 4.350 -0.000 0.000 0.266 361 T C 1.689 176.279 174.700 -0.184 0.000 1.037 361 T CA 1.004 63.026 62.100 -0.130 0.000 1.146 361 T CB -0.358 68.367 68.868 -0.240 0.000 0.865 361 T HN 0.278 nan 8.240 nan 0.000 0.435 362 L N 0.577 121.554 121.223 -0.409 0.000 2.240 362 L HA 0.098 4.438 4.340 -0.000 0.000 0.211 362 L C 2.961 179.632 176.870 -0.332 0.000 1.106 362 L CA 0.601 55.043 54.840 -0.662 0.000 0.793 362 L CB -0.592 40.447 42.059 -1.700 0.000 0.927 362 L HN 0.222 nan 8.230 nan 0.000 0.446 363 A N 0.665 123.405 122.820 -0.133 0.000 1.902 363 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 363 A C 2.213 179.831 177.584 0.055 0.000 1.181 363 A CA 1.475 53.566 52.037 0.091 0.000 0.623 363 A CB -0.545 18.410 19.000 -0.076 0.000 0.818 363 A HN 0.331 nan 8.150 nan 0.000 0.443 364 I N -1.133 119.461 120.570 0.040 0.000 2.202 364 I HA -0.239 3.931 4.170 -0.000 0.000 0.242 364 I C 2.716 178.868 176.117 0.059 0.000 1.091 364 I CA 1.628 62.962 61.300 0.057 0.000 1.368 364 I CB -0.338 37.699 38.000 0.062 0.000 1.058 364 I HN 0.363 nan 8.210 nan 0.000 0.410 365 R N 0.849 121.378 120.500 0.048 0.000 2.091 365 R HA -0.201 4.138 4.340 -0.000 0.000 0.238 365 R C 1.024 177.374 176.300 0.084 0.000 1.136 365 R CA 2.051 58.192 56.100 0.067 0.000 0.959 365 R CB -0.040 30.305 30.300 0.074 0.000 0.856 365 R HN 0.299 nan 8.270 nan 0.000 0.437 366 D N -0.192 120.282 120.400 0.123 0.000 2.369 366 D HA 0.067 4.707 4.640 -0.000 0.000 0.211 366 D C -0.404 175.970 176.300 0.124 0.000 1.077 366 D CA 0.049 54.151 54.000 0.169 0.000 0.842 366 D CB 0.173 41.176 40.800 0.337 0.000 0.947 366 D HN 0.184 nan 8.370 nan 0.000 0.509 367 N N 0.856 119.611 118.700 0.092 0.000 2.714 367 N HA -0.220 4.520 4.740 -0.000 0.000 0.253 367 N C -0.479 175.050 175.510 0.032 0.000 1.024 367 N CA 0.527 53.608 53.050 0.052 0.000 0.726 367 N CB -0.915 37.597 38.487 0.042 0.000 0.908 367 N HN 0.402 nan 8.380 nan 0.000 0.542 368 I N -0.666 119.923 120.570 0.031 0.000 2.644 368 I HA 0.488 4.658 4.170 -0.000 0.000 0.291 368 I C -0.902 175.132 176.117 -0.138 0.000 1.180 368 I CA -0.700 60.578 61.300 -0.037 0.000 1.040 368 I CB 1.771 39.747 38.000 -0.041 0.000 1.255 368 I HN 0.121 nan 8.210 nan 0.000 0.422 369 A N 8.442 131.132 122.820 -0.216 0.000 2.260 369 A HA 0.748 5.068 4.320 -0.000 0.000 0.308 369 A C -2.666 174.758 177.584 -0.268 0.000 1.254 369 A CA -1.565 50.235 52.037 -0.396 0.000 0.874 369 A CB 0.110 18.988 19.000 -0.204 0.000 1.153 369 A HN 0.417 nan 8.150 nan 0.000 0.527 370 P HA 0.205 nan 4.420 nan 0.000 0.268 370 P C 0.098 177.339 177.300 -0.098 0.000 1.208 370 P CA 0.244 63.206 63.100 -0.230 0.000 0.777 370 P CB 0.637 32.227 31.700 -0.183 0.000 0.875 371 A N 2.226 124.978 122.820 -0.113 0.000 2.386 371 A HA 0.327 4.647 4.320 -0.000 0.000 0.248 371 A C 0.132 177.708 177.584 -0.014 0.000 1.082 371 A CA 0.154 52.158 52.037 -0.054 0.000 0.789 371 A CB -0.364 18.601 19.000 -0.059 0.000 1.025 371 A HN 0.484 nan 8.150 nan 0.000 0.490 372 T N 3.542 118.098 114.554 0.002 0.000 2.875 372 T HA 0.371 4.721 4.350 -0.000 0.000 0.307 372 T C 0.323 175.008 174.700 -0.025 0.000 1.013 372 T CA 0.029 62.142 62.100 0.021 0.000 0.970 372 T CB -0.623 68.294 68.868 0.081 0.000 0.986 372 T HN 0.409 nan 8.240 nan 0.000 0.536 373 L N 3.442 124.661 121.223 -0.007 0.000 2.483 373 L HA 0.118 4.458 4.340 -0.000 0.000 0.275 373 L C 1.014 177.899 176.870 0.025 0.000 1.220 373 L CA -0.276 54.575 54.840 0.018 0.000 0.833 373 L CB 0.070 42.138 42.059 0.015 0.000 1.102 373 L HN 0.699 nan 8.230 nan 0.000 0.490 374 N N 0.175 118.926 118.700 0.086 0.000 2.828 374 N HA -0.196 4.544 4.740 -0.000 0.000 0.248 374 N C -0.243 175.303 175.510 0.060 0.000 1.044 374 N CA 0.555 53.661 53.050 0.093 0.000 0.851 374 N CB -0.969 37.550 38.487 0.053 0.000 1.136 374 N HN 0.350 nan 8.380 nan 0.000 0.572 375 L N 2.150 123.334 121.223 -0.064 0.000 2.391 375 L HA 0.178 4.518 4.340 -0.000 0.000 0.249 375 L C 0.937 177.766 176.870 -0.068 0.000 1.308 375 L CA 0.525 55.302 54.840 -0.104 0.000 1.209 375 L CB -0.075 41.889 42.059 -0.158 0.000 1.401 375 L HN -0.019 nan 8.230 nan 0.000 0.416 376 D N 1.416 121.878 120.400 0.103 0.000 2.183 376 D HA -0.009 4.631 4.640 -0.000 0.000 0.205 376 D C -0.047 176.319 176.300 0.110 0.000 0.962 376 D CA 1.027 55.138 54.000 0.185 0.000 0.849 376 D CB 0.288 41.171 40.800 0.139 0.000 0.978 376 D HN 0.505 nan 8.370 nan 0.000 0.488 377 N N 0.444 119.185 118.700 0.068 0.000 2.640 377 N HA 0.234 4.973 4.740 -0.000 0.000 0.262 377 N C -2.858 172.679 175.510 0.045 0.000 1.174 377 N CA -0.969 52.111 53.050 0.051 0.000 0.791 377 N CB 2.418 40.932 38.487 0.045 0.000 1.279 377 N HN -0.192 nan 8.380 nan 0.000 0.535 378 P HA -0.032 nan 4.420 nan 0.000 0.264 378 P C 0.247 177.576 177.300 0.048 0.000 1.183 378 P CA 0.123 63.250 63.100 0.045 0.000 0.763 378 P CB 0.826 32.535 31.700 0.015 0.000 0.807 379 A N 2.973 125.835 122.820 0.070 0.000 2.119 379 A HA 0.336 4.656 4.320 -0.000 0.000 0.217 379 A C 0.963 178.574 177.584 0.046 0.000 1.153 379 A CA 1.469 53.541 52.037 0.058 0.000 0.692 379 A CB -0.381 18.661 19.000 0.070 0.000 0.799 379 A HN 0.610 nan 8.150 nan 0.000 0.458 380 A N -0.868 121.977 122.820 0.042 0.000 2.539 380 A HA 0.631 4.951 4.320 -0.000 0.000 0.296 380 A C -1.030 176.556 177.584 0.002 0.000 1.073 380 A CA -0.679 51.371 52.037 0.022 0.000 0.700 380 A CB 0.846 19.862 19.000 0.026 0.000 1.296 380 A HN 0.097 nan 8.150 nan 0.000 0.405 381 Q N 0.597 120.395 119.800 -0.004 0.000 2.261 381 Q HA 0.585 4.925 4.340 -0.000 0.000 0.252 381 Q C -0.363 175.622 176.000 -0.024 0.000 0.915 381 Q CA 0.166 55.961 55.803 -0.013 0.000 0.915 381 Q CB 1.622 30.355 28.738 -0.008 0.000 1.204 381 Q HN 0.784 nan 8.270 nan 0.000 0.421 382 T N 0.624 115.156 114.554 -0.036 0.000 2.889 382 T HA 0.370 4.720 4.350 -0.000 0.000 0.315 382 T C 0.232 174.907 174.700 -0.043 0.000 1.291 382 T CA -0.559 61.513 62.100 -0.046 0.000 1.028 382 T CB 1.074 69.896 68.868 -0.077 0.000 1.235 382 T HN 0.607 nan 8.240 nan 0.000 0.491 383 R N 1.807 122.285 120.500 -0.036 0.000 2.240 383 R HA 0.305 4.644 4.340 -0.000 0.000 0.203 383 R C 0.660 176.939 176.300 -0.036 0.000 1.011 383 R CA 0.237 56.319 56.100 -0.030 0.000 1.007 383 R CB -0.073 30.214 30.300 -0.021 0.000 0.911 383 R HN 0.553 nan 8.270 nan 0.000 0.468 384 I N 2.161 122.700 120.570 -0.052 0.000 2.648 384 I HA -0.102 4.068 4.170 -0.000 0.000 0.284 384 I C 0.307 176.385 176.117 -0.066 0.000 1.153 384 I CA -0.039 61.226 61.300 -0.060 0.000 1.426 384 I CB 0.314 38.262 38.000 -0.087 0.000 1.381 384 I HN -0.042 nan 8.210 nan 0.000 0.571 385 D N 6.959 127.334 120.400 -0.041 0.000 2.344 385 D HA 0.115 4.755 4.640 -0.000 0.000 0.253 385 D C 0.534 176.805 176.300 -0.049 0.000 1.255 385 D CA 0.095 54.075 54.000 -0.034 0.000 0.894 385 D CB 0.654 41.453 40.800 -0.003 0.000 1.067 385 D HN 0.377 nan 8.370 nan 0.000 0.492 386 L N 3.382 124.552 121.223 -0.089 0.000 2.612 386 L HA 0.068 4.408 4.340 -0.000 0.000 0.230 386 L C 0.526 177.368 176.870 -0.047 0.000 1.140 386 L CA -0.355 54.415 54.840 -0.117 0.000 0.896 386 L CB -0.074 41.852 42.059 -0.222 0.000 1.065 386 L HN 0.326 nan 8.230 nan 0.000 0.447 387 V N -0.643 119.254 119.914 -0.029 0.000 5.820 387 V HA -0.172 3.948 4.120 -0.000 0.000 0.300 387 V C -2.093 173.968 176.094 -0.054 0.000 0.585 387 V CA -0.282 62.008 62.300 -0.017 0.000 0.629 387 V CB -2.048 29.788 31.823 0.021 0.000 0.291 387 V HN 0.342 nan 8.190 nan 0.000 0.887 388 P HA 0.208 nan 4.420 nan 0.000 0.271 388 P C 1.010 178.195 177.300 -0.191 0.000 1.216 388 P CA 0.945 63.883 63.100 -0.270 0.000 0.771 388 P CB 0.810 32.274 31.700 -0.394 0.000 0.864 389 H N -0.975 118.092 119.070 -0.004 0.000 4.843 389 H HA -0.185 4.371 4.556 -0.000 0.000 0.075 389 H C 0.291 175.596 175.328 -0.038 0.000 0.584 389 H CA 1.956 57.994 56.048 -0.018 0.000 1.038 389 H CB -1.228 28.525 29.762 -0.015 0.000 0.452 389 H HN 0.527 nan 8.280 nan 0.000 0.765 390 K N 1.846 122.289 120.400 0.073 0.000 2.468 390 K HA 0.446 4.766 4.320 -0.000 0.000 0.252 390 K C -2.974 173.600 176.600 -0.043 0.000 0.932 390 K CA -1.785 54.503 56.287 0.001 0.000 0.794 390 K CB 2.710 35.215 32.500 0.008 0.000 1.241 390 K HN -0.166 nan 8.250 nan 0.000 0.428 391 P HA 0.075 nan 4.420 nan 0.000 0.269 391 P C -1.423 175.823 177.300 -0.091 0.000 1.215 391 P CA -0.171 62.855 63.100 -0.124 0.000 0.780 391 P CB 0.527 32.102 31.700 -0.210 0.000 0.898 392 R N 1.593 122.043 120.500 -0.084 0.000 2.439 392 R HA 0.232 4.572 4.340 -0.000 0.000 0.310 392 R C -0.487 175.779 176.300 -0.058 0.000 0.955 392 R CA -0.476 55.591 56.100 -0.055 0.000 0.853 392 R CB 0.903 31.185 30.300 -0.030 0.000 1.171 392 R HN 0.453 nan 8.270 nan 0.000 0.449 393 E N 4.318 124.490 120.200 -0.045 0.000 2.344 393 E HA 0.126 4.476 4.350 -0.000 0.000 0.270 393 E C -0.460 176.131 176.600 -0.015 0.000 1.021 393 E CA 0.184 56.566 56.400 -0.030 0.000 0.887 393 E CB 0.887 30.573 29.700 -0.023 0.000 0.997 393 E HN 0.567 nan 8.360 nan 0.000 0.429 394 R N 1.098 121.594 120.500 -0.006 0.000 2.728 394 R HA 0.255 4.595 4.340 -0.000 0.000 0.274 394 R C -1.214 175.095 176.300 0.016 0.000 1.032 394 R CA -1.103 55.000 56.100 0.006 0.000 0.866 394 R CB 0.672 30.979 30.300 0.011 0.000 1.263 394 R HN 0.200 nan 8.270 nan 0.000 0.475 395 K N 1.951 122.365 120.400 0.022 0.000 2.436 395 K HA 0.150 4.470 4.320 -0.000 0.000 0.282 395 K C -0.864 175.762 176.600 0.042 0.000 1.044 395 K CA 0.209 56.514 56.287 0.030 0.000 1.028 395 K CB 0.253 32.769 32.500 0.027 0.000 0.919 395 K HN 0.533 nan 8.250 nan 0.000 0.474 396 I N 5.037 125.636 120.570 0.048 0.000 2.476 396 I HA 0.093 4.263 4.170 -0.000 0.000 0.281 396 I C -0.340 175.818 176.117 0.068 0.000 1.040 396 I CA -0.553 60.789 61.300 0.070 0.000 1.094 396 I CB 1.716 39.757 38.000 0.068 0.000 1.219 396 I HN 0.664 nan 8.210 nan 0.000 0.450 397 D N 3.799 124.238 120.400 0.065 0.000 2.422 397 D HA 0.178 4.818 4.640 -0.000 0.000 0.218 397 D C 0.280 176.617 176.300 0.062 0.000 1.047 397 D CA 0.888 54.921 54.000 0.055 0.000 0.885 397 D CB 1.468 42.290 40.800 0.038 0.000 1.035 397 D HN 0.136 nan 8.370 nan 0.000 0.502 398 V N 0.979 120.936 119.914 0.072 0.000 2.531 398 V HA 0.714 4.834 4.120 -0.000 0.000 0.301 398 V C -0.642 175.513 176.094 0.101 0.000 1.034 398 V CA -0.970 61.373 62.300 0.071 0.000 0.865 398 V CB 1.872 33.725 31.823 0.050 0.000 0.995 398 V HN 0.090 nan 8.190 nan 0.000 0.424 399 A N 4.696 127.576 122.820 0.101 0.000 2.355 399 A HA 0.907 5.227 4.320 -0.000 0.000 0.317 399 A C -1.297 176.309 177.584 0.037 0.000 1.094 399 A CA -0.556 51.552 52.037 0.118 0.000 0.764 399 A CB 1.512 20.642 19.000 0.216 0.000 1.230 399 A HN 0.861 nan 8.150 nan 0.000 0.448 400 L N 2.202 123.409 121.223 -0.026 0.000 2.296 400 L HA 0.747 5.087 4.340 -0.000 0.000 0.286 400 L C -0.043 176.772 176.870 -0.090 0.000 1.023 400 L CA 0.135 54.948 54.840 -0.044 0.000 0.812 400 L CB 1.806 43.842 42.059 -0.040 0.000 1.223 400 L HN 0.577 nan 8.230 nan 0.000 0.421 401 S N 4.404 120.062 115.700 -0.069 0.000 2.478 401 S HA 0.652 5.122 4.470 -0.000 0.000 0.312 401 S C -0.829 173.686 174.600 -0.141 0.000 1.094 401 S CA -0.748 57.393 58.200 -0.098 0.000 1.081 401 S CB 0.409 63.568 63.200 -0.068 0.000 1.007 401 S HN 0.758 nan 8.310 nan 0.000 0.475 402 N N 2.184 120.754 118.700 -0.216 0.000 2.370 402 N HA 0.585 5.325 4.740 -0.000 0.000 0.303 402 N C -1.463 173.680 175.510 -0.612 0.000 1.103 402 N CA -0.508 52.263 53.050 -0.465 0.000 0.848 402 N CB 1.959 40.119 38.487 -0.544 0.000 1.235 402 N HN 0.504 nan 8.380 nan 0.000 0.496 403 S N 1.219 116.402 115.700 -0.863 0.000 2.668 403 S HA 0.522 4.992 4.470 -0.000 0.000 0.277 403 S C -1.422 172.728 174.600 -0.751 0.000 1.170 403 S CA -0.602 57.235 58.200 -0.604 0.000 0.994 403 S CB 0.439 63.493 63.200 -0.243 0.000 1.051 403 S HN 0.308 nan 8.310 nan 0.000 0.484 404 F N 1.716 121.265 119.950 -0.667 0.000 2.532 404 F HA 0.605 5.132 4.527 -0.000 0.000 0.365 404 F C 0.800 176.361 175.800 -0.399 0.000 1.112 404 F CA -0.904 56.788 58.000 -0.512 0.000 1.082 404 F CB 1.206 39.929 39.000 -0.462 0.000 1.319 404 F HN 0.656 nan 8.300 nan 0.000 0.457 405 G N 1.390 110.255 108.800 0.108 0.000 2.462 405 G HA2 0.463 4.422 3.960 -0.000 0.000 0.319 405 G HA3 0.463 4.422 3.960 -0.000 0.000 0.319 405 G C -0.549 174.586 174.900 0.391 0.000 1.171 405 G CA -0.704 44.550 45.100 0.256 0.000 0.920 405 G HN 0.420 nan 8.290 nan 0.000 0.499 406 F N 0.209 120.278 119.950 0.199 0.000 2.635 406 F HA 0.207 4.734 4.527 -0.000 0.000 0.379 406 F C 1.730 177.613 175.800 0.139 0.000 1.094 406 F CA 1.616 59.731 58.000 0.192 0.000 1.300 406 F CB 0.769 39.894 39.000 0.208 0.000 1.035 406 F HN 0.830 nan 8.300 nan 0.000 0.581 407 G N 1.664 110.583 108.800 0.197 0.000 2.176 407 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.232 407 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.232 407 G C 0.737 175.708 174.900 0.118 0.000 0.986 407 G CA -0.028 45.146 45.100 0.123 0.000 0.643 407 G HN 1.841 nan 8.290 nan 0.000 0.522 408 G N -1.166 107.725 108.800 0.152 0.000 2.149 408 G HA2 0.111 4.071 3.960 -0.000 0.000 0.235 408 G HA3 0.111 4.071 3.960 -0.000 0.000 0.235 408 G C 0.384 175.365 174.900 0.135 0.000 1.018 408 G CA 1.342 46.525 45.100 0.137 0.000 0.728 408 G HN 2.053 nan 8.290 nan 0.000 0.508 409 T N 0.686 115.342 114.554 0.170 0.000 2.728 409 T HA 0.553 4.903 4.350 -0.000 0.000 0.296 409 T C 0.045 174.884 174.700 0.232 0.000 0.940 409 T CA -0.464 61.752 62.100 0.195 0.000 1.013 409 T CB 0.177 69.166 68.868 0.201 0.000 0.912 409 T HN 0.286 nan 8.240 nan 0.000 0.484 410 N N 3.288 122.121 118.700 0.221 0.000 2.361 410 N HA 0.737 5.477 4.740 -0.000 0.000 0.302 410 N C -1.062 174.498 175.510 0.083 0.000 1.074 410 N CA -0.576 52.624 53.050 0.249 0.000 0.850 410 N CB 2.014 40.672 38.487 0.285 0.000 1.228 410 N HN 0.783 nan 8.380 nan 0.000 0.491 411 A N 0.541 123.318 122.820 -0.072 0.000 2.520 411 A HA 0.773 5.093 4.320 -0.000 0.000 0.298 411 A C -0.954 176.547 177.584 -0.138 0.000 1.051 411 A CA -0.552 51.350 52.037 -0.225 0.000 0.690 411 A CB 1.256 19.843 19.000 -0.687 0.000 1.281 411 A HN 0.451 nan 8.150 nan 0.000 0.402 412 S N 0.448 116.130 115.700 -0.030 0.000 2.541 412 S HA 0.743 5.213 4.470 -0.000 0.000 0.280 412 S C -1.033 173.616 174.600 0.083 0.000 1.112 412 S CA -0.400 57.793 58.200 -0.011 0.000 0.925 412 S CB 1.316 64.533 63.200 0.029 0.000 1.067 412 S HN 0.607 nan 8.310 nan 0.000 0.479 413 L N 2.143 123.381 121.223 0.025 0.000 2.354 413 L HA 0.734 5.074 4.340 -0.000 0.000 0.269 413 L C -1.114 175.767 176.870 0.017 0.000 1.005 413 L CA -0.889 53.972 54.840 0.036 0.000 0.819 413 L CB 1.952 43.987 42.059 -0.040 0.000 1.311 413 L HN 0.357 nan 8.230 nan 0.000 0.423 414 V N 4.010 123.942 119.914 0.031 0.000 2.448 414 V HA 0.482 4.602 4.120 -0.000 0.000 0.295 414 V C -0.203 175.904 176.094 0.021 0.000 1.025 414 V CA -0.477 61.838 62.300 0.025 0.000 0.859 414 V CB 1.772 33.615 31.823 0.033 0.000 0.988 414 V HN 0.480 nan 8.190 nan 0.000 0.431 415 L N 4.935 126.172 121.223 0.024 0.000 2.334 415 L HA 0.774 5.114 4.340 -0.000 0.000 0.273 415 L C -0.186 176.710 176.870 0.044 0.000 1.013 415 L CA -0.702 54.154 54.840 0.027 0.000 0.816 415 L CB 2.089 44.160 42.059 0.019 0.000 1.278 415 L HN 0.614 nan 8.230 nan 0.000 0.431 416 R N 1.343 121.872 120.500 0.049 0.000 2.698 416 R HA 0.410 4.750 4.340 -0.000 0.000 0.275 416 R C -0.658 175.684 176.300 0.071 0.000 1.001 416 R CA -0.900 55.232 56.100 0.054 0.000 0.896 416 R CB 2.145 32.470 30.300 0.041 0.000 1.218 416 R HN 0.612 nan 8.270 nan 0.000 0.462 417 R N 2.320 122.861 120.500 0.068 0.000 2.566 417 R HA -0.140 4.199 4.340 -0.000 0.000 0.273 417 R C -0.765 175.595 176.300 0.100 0.000 0.981 417 R CA 0.300 56.450 56.100 0.084 0.000 1.091 417 R CB 0.222 30.556 30.300 0.057 0.000 0.924 417 R HN 0.543 nan 8.270 nan 0.000 0.411 418 Y N 2.831 123.137 120.300 0.010 0.000 2.597 418 Y HA 0.072 4.621 4.550 -0.000 0.000 0.336 418 Y C -0.105 175.796 175.900 0.001 0.000 1.216 418 Y CA 0.956 59.058 58.100 0.003 0.000 1.463 418 Y CB 0.899 39.356 38.460 -0.005 0.000 1.303 418 Y HN 0.570 nan 8.280 nan 0.000 0.576 419 T N 5.464 119.528 114.554 -0.815 0.000 2.956 419 T HA 0.682 5.032 4.350 -0.000 0.000 0.312 419 T C -0.540 173.584 174.700 -0.960 0.000 1.151 419 T CA -0.205 61.436 62.100 -0.766 0.000 1.024 419 T CB 0.439 69.116 68.868 -0.319 0.000 1.140 419 T HN 1.095 nan 8.240 nan 0.000 0.473 420 A N 0.000 122.423 122.820 -0.661 0.000 2.254 420 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 420 A CA 0.000 51.841 52.037 -0.327 0.000 0.836 420 A CB 0.000 18.922 19.000 -0.129 0.000 0.831 420 A HN 0.000 nan 8.150 nan 0.000 0.486