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 2i4n_1_B DATA FIRST_RESID -3 DATA SEQUENCE RGSHMRLSRF FLPILKENPK EAEIVSHRLM LRAGMLRQEA AGIYAWLPLG DATA SEQUENCE HRVLKKIEQI VREEQNRAGA IELLMPTLQL ADLWRESGRY DAYGPEMLRI DATA SEQUENCE ADRHKRELLY GPTNEEMITE IFRAYIKSYK SLPLNLYHIQ WKFRDEQRPR DATA SEQUENCE FGVMRGREFL MKDAYSFDVD EAGARKSYNK MFVAYLRTFA RMGLKAIPMR DATA SEQUENCE AETGPIGGDL SHEFIVLAET GESGVYIDRD VLNLPVPDEN VDYDGDLTPI DATA SEQUENCE IKQWTSVYAA TEDVHEPARY ESEVPEANRL NTRGIEVGQI FYFGTKYSDS DATA SEQUENCE MKANVTGPDG TDAPIHGGSY GVGVSRLLGA IIEACHDDNG IIWPEAVAPF DATA SEQUENCE RVTILNLKQG DAATDAACDQ LYRELSAKGV DVLYDDTDQR AGAKFATADL DATA SEQUENCE IGIPWQIHVG PRGLAEGKVE LKRRSDGARE NLALADVVAR LT 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 -3 R HA 0.000 nan 4.340 nan 0.000 0.208 -3 R C 0.000 176.320 176.300 0.033 0.000 0.893 -3 R CA 0.000 56.104 56.100 0.006 0.000 0.921 -3 R CB 0.000 30.304 30.300 0.007 0.000 0.687 -2 G N 1.308 110.131 108.800 0.038 0.000 3.129 -2 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.304 -2 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.304 -2 G C -0.099 174.906 174.900 0.175 0.000 0.679 -2 G CA 0.465 45.607 45.100 0.070 0.000 0.812 -2 G HN 0.286 nan 8.290 nan 0.000 0.409 -1 S N 2.782 118.562 115.700 0.133 0.000 2.549 -1 S HA 0.529 4.999 4.470 -0.000 0.000 0.283 -1 S C 0.463 175.215 174.600 0.252 0.000 1.320 -1 S CA 0.205 58.478 58.200 0.122 0.000 1.058 -1 S CB 0.080 63.299 63.200 0.032 0.000 0.882 -1 S HN 1.156 nan 8.310 nan 0.000 0.498 0 H N 2.087 121.258 119.070 0.168 0.000 2.974 0 H HA 0.735 5.291 4.556 -0.000 0.000 0.366 0 H C -1.285 174.207 175.328 0.274 0.000 1.155 0 H CA -1.223 54.923 56.048 0.164 0.000 1.186 0 H CB 1.207 30.900 29.762 -0.115 0.000 1.799 0 H HN 0.545 nan 8.280 nan 0.000 0.541 1 M N 2.354 122.185 119.600 0.386 0.000 2.296 1 M HA 0.323 4.803 4.480 -0.000 0.000 0.268 1 M C -1.827 174.434 176.300 -0.064 0.000 1.048 1 M CA -0.137 55.211 55.300 0.080 0.000 0.966 1 M CB 1.928 34.417 32.600 -0.185 0.000 1.912 1 M HN 0.744 nan 8.290 nan 0.000 0.484 2 R N 3.310 123.757 120.500 -0.089 0.000 2.404 2 R HA 0.495 4.835 4.340 -0.000 0.000 0.291 2 R C 0.922 177.107 176.300 -0.191 0.000 1.025 2 R CA -0.559 55.387 56.100 -0.256 0.000 0.991 2 R CB 1.009 31.146 30.300 -0.272 0.000 1.053 2 R HN 0.874 nan 8.270 nan 0.000 0.479 3 L N 1.743 122.827 121.223 -0.233 0.000 2.109 3 L HA -0.173 4.167 4.340 -0.000 0.000 0.207 3 L C 1.992 178.867 176.870 0.007 0.000 1.086 3 L CA 1.522 56.310 54.840 -0.086 0.000 0.760 3 L CB -0.092 41.901 42.059 -0.110 0.000 0.910 3 L HN 0.840 nan 8.230 nan 0.000 0.437 4 S N -0.656 114.996 115.700 -0.082 0.000 2.440 4 S HA -0.215 4.255 4.470 -0.000 0.000 0.238 4 S C 1.721 176.347 174.600 0.043 0.000 1.010 4 S CA 0.845 59.026 58.200 -0.031 0.000 0.972 4 S CB -0.464 62.685 63.200 -0.086 0.000 0.774 4 S HN 0.462 nan 8.310 nan 0.000 0.501 5 R N -0.363 120.180 120.500 0.072 0.000 2.515 5 R HA 0.427 4.767 4.340 -0.000 0.000 0.294 5 R C -0.770 175.704 176.300 0.289 0.000 1.021 5 R CA -0.247 55.935 56.100 0.137 0.000 1.081 5 R CB 0.064 30.428 30.300 0.107 0.000 1.263 5 R HN 0.378 nan 8.270 nan 0.000 0.557 6 F N -0.648 119.351 119.950 0.082 0.000 2.782 6 F HA 0.430 4.957 4.527 -0.000 0.000 0.366 6 F C -1.235 174.706 175.800 0.234 0.000 1.171 6 F CA -2.135 55.951 58.000 0.143 0.000 1.064 6 F CB 1.316 40.384 39.000 0.114 0.000 1.449 6 F HN -0.184 nan 8.300 nan 0.000 0.520 7 F N 3.841 123.483 119.950 -0.514 0.000 2.824 7 F HA 0.526 5.053 4.527 -0.000 0.000 0.375 7 F C -2.023 173.560 175.800 -0.361 0.000 1.190 7 F CA -0.756 57.039 58.000 -0.340 0.000 1.180 7 F CB 0.765 39.589 39.000 -0.294 0.000 1.477 7 F HN 0.145 nan 8.300 nan 0.000 0.542 8 L N 8.368 129.399 121.223 -0.320 0.000 2.401 8 L HA 0.626 4.965 4.340 -0.000 0.000 0.263 8 L C -2.457 174.255 176.870 -0.264 0.000 1.004 8 L CA -1.756 52.958 54.840 -0.210 0.000 0.881 8 L CB 1.015 43.149 42.059 0.124 0.000 1.219 8 L HN 0.260 nan 8.230 nan 0.000 0.441 9 P HA 0.227 nan 4.420 nan 0.000 0.241 9 P C -0.165 177.053 177.300 -0.138 0.000 1.780 9 P CA -0.432 62.500 63.100 -0.281 0.000 1.111 9 P CB 0.192 31.668 31.700 -0.373 0.000 1.852 10 I N 2.967 123.490 120.570 -0.077 0.000 2.813 10 I HA 0.035 4.205 4.170 -0.000 0.000 0.287 10 I C 1.026 177.120 176.117 -0.039 0.000 1.196 10 I CA -0.141 61.138 61.300 -0.035 0.000 1.421 10 I CB 0.072 38.067 38.000 -0.009 0.000 1.365 10 I HN 0.233 nan 8.210 nan 0.000 0.591 11 L N 6.238 127.444 121.223 -0.029 0.000 2.305 11 L HA 0.246 4.586 4.340 -0.000 0.000 0.284 11 L C 1.214 178.069 176.870 -0.024 0.000 1.013 11 L CA -0.754 54.068 54.840 -0.031 0.000 0.819 11 L CB 1.448 43.486 42.059 -0.035 0.000 1.227 11 L HN 0.604 nan 8.230 nan 0.000 0.417 12 K N 1.873 122.260 120.400 -0.022 0.000 1.975 12 K HA -0.262 4.058 4.320 -0.000 0.000 0.233 12 K C 0.793 177.383 176.600 -0.018 0.000 0.991 12 K CA 2.085 58.361 56.287 -0.018 0.000 1.022 12 K CB -0.208 32.281 32.500 -0.018 0.000 0.723 12 K HN 0.710 nan 8.250 nan 0.000 0.473 13 E N 0.742 120.930 120.200 -0.021 0.000 2.586 13 E HA 0.190 4.540 4.350 -0.000 0.000 0.232 13 E C -0.731 175.849 176.600 -0.032 0.000 0.854 13 E CA -0.720 55.666 56.400 -0.023 0.000 0.938 13 E CB 0.281 29.969 29.700 -0.020 0.000 1.518 13 E HN 0.138 nan 8.360 nan 0.000 0.400 14 N N 1.795 120.474 118.700 -0.035 0.000 2.422 14 N HA 0.253 4.993 4.740 -0.000 0.000 0.264 14 N C -2.299 173.176 175.510 -0.057 0.000 1.063 14 N CA -1.115 51.905 53.050 -0.049 0.000 0.959 14 N CB 0.546 39.005 38.487 -0.046 0.000 1.087 14 N HN 0.173 nan 8.380 nan 0.000 0.483 15 P HA -0.010 nan 4.420 nan 0.000 0.258 15 P C 0.787 178.041 177.300 -0.077 0.000 1.187 15 P CA 0.090 63.140 63.100 -0.083 0.000 0.767 15 P CB 0.481 32.107 31.700 -0.125 0.000 0.770 16 K N 3.328 123.698 120.400 -0.049 0.000 2.163 16 K HA -0.256 4.064 4.320 -0.000 0.000 0.210 16 K C 1.463 178.041 176.600 -0.036 0.000 1.048 16 K CA 1.734 58.000 56.287 -0.035 0.000 0.928 16 K CB -0.193 32.293 32.500 -0.023 0.000 0.716 16 K HN 0.620 nan 8.250 nan 0.000 0.459 17 E N 1.103 121.274 120.200 -0.048 0.000 2.511 17 E HA -0.000 4.350 4.350 -0.000 0.000 0.196 17 E C -0.009 176.565 176.600 -0.044 0.000 1.066 17 E CA 0.265 56.648 56.400 -0.027 0.000 0.871 17 E CB 0.170 29.867 29.700 -0.004 0.000 0.863 17 E HN 0.209 nan 8.360 nan 0.000 0.520 18 A N 1.080 123.817 122.820 -0.137 0.000 2.304 18 A HA 0.349 4.669 4.320 -0.000 0.000 0.323 18 A C 0.404 177.995 177.584 0.011 0.000 1.195 18 A CA -0.615 51.315 52.037 -0.180 0.000 0.826 18 A CB 1.059 19.753 19.000 -0.509 0.000 1.184 18 A HN 0.123 nan 8.150 nan 0.000 0.496 19 E N 0.940 121.239 120.200 0.165 0.000 2.364 19 E HA 0.118 4.468 4.350 -0.000 0.000 0.196 19 E C -0.004 176.666 176.600 0.117 0.000 0.990 19 E CA 0.525 57.021 56.400 0.160 0.000 0.886 19 E CB 0.171 30.024 29.700 0.256 0.000 0.866 19 E HN 0.818 nan 8.360 nan 0.000 0.493 20 I N -3.958 116.685 120.570 0.122 0.000 2.892 20 I HA 0.197 4.367 4.170 -0.000 0.000 0.306 20 I C 1.097 177.190 176.117 -0.039 0.000 1.078 20 I CA -0.908 60.391 61.300 -0.001 0.000 1.032 20 I CB 1.334 39.267 38.000 -0.113 0.000 1.229 20 I HN -0.352 nan 8.210 nan 0.000 0.435 21 V N 1.340 121.177 119.914 -0.128 0.000 2.392 21 V HA -0.226 3.894 4.120 -0.000 0.000 0.249 21 V C 2.480 178.460 176.094 -0.190 0.000 1.059 21 V CA 2.391 64.565 62.300 -0.210 0.000 1.051 21 V CB -1.521 30.049 31.823 -0.423 0.000 0.658 21 V HN 1.040 nan 8.190 nan 0.000 0.455 22 S N -0.291 115.322 115.700 -0.145 0.000 2.355 22 S HA -0.292 4.178 4.470 -0.000 0.000 0.222 22 S C 2.049 176.658 174.600 0.015 0.000 1.031 22 S CA 1.668 59.816 58.200 -0.086 0.000 0.993 22 S CB -0.953 62.212 63.200 -0.058 0.000 0.859 22 S HN 0.770 nan 8.310 nan 0.000 0.453 23 H N 1.539 120.571 119.070 -0.065 0.000 2.352 23 H HA -0.069 4.487 4.556 -0.000 0.000 0.299 23 H C 2.642 177.940 175.328 -0.050 0.000 1.097 23 H CA 1.424 57.442 56.048 -0.049 0.000 1.311 23 H CB -0.070 29.697 29.762 0.008 0.000 1.377 23 H HN 0.422 nan 8.280 nan 0.000 0.504 24 R N 0.427 120.887 120.500 -0.067 0.000 2.082 24 R HA -0.144 4.196 4.340 -0.000 0.000 0.234 24 R C 2.610 178.858 176.300 -0.087 0.000 1.136 24 R CA 1.753 57.775 56.100 -0.131 0.000 0.935 24 R CB -0.254 29.983 30.300 -0.106 0.000 0.842 24 R HN 0.312 nan 8.270 nan 0.000 0.430 25 L N 0.252 121.431 121.223 -0.074 0.000 2.012 25 L HA -0.230 4.110 4.340 -0.000 0.000 0.210 25 L C 2.772 179.634 176.870 -0.012 0.000 1.073 25 L CA 1.673 56.479 54.840 -0.058 0.000 0.748 25 L CB -0.405 41.594 42.059 -0.099 0.000 0.891 25 L HN 0.342 nan 8.230 nan 0.000 0.431 26 M N -0.732 118.876 119.600 0.013 0.000 2.144 26 M HA -0.272 4.208 4.480 -0.000 0.000 0.260 26 M C 2.282 178.601 176.300 0.032 0.000 1.067 26 M CA 1.812 57.147 55.300 0.058 0.000 1.095 26 M CB -0.416 32.221 32.600 0.060 0.000 1.365 26 M HN 0.278 nan 8.290 nan 0.000 0.406 27 L N -1.015 120.206 121.223 -0.003 0.000 2.095 27 L HA -0.141 4.199 4.340 -0.000 0.000 0.204 27 L C 2.701 179.556 176.870 -0.024 0.000 1.080 27 L CA 1.019 55.845 54.840 -0.023 0.000 0.759 27 L CB -0.453 41.555 42.059 -0.085 0.000 0.914 27 L HN 0.246 nan 8.230 nan 0.000 0.439 28 R N 0.030 120.512 120.500 -0.030 0.000 2.075 28 R HA -0.063 4.277 4.340 -0.000 0.000 0.232 28 R C 1.937 178.236 176.300 -0.002 0.000 1.126 28 R CA 1.294 57.379 56.100 -0.025 0.000 0.963 28 R CB -0.318 29.964 30.300 -0.030 0.000 0.858 28 R HN 0.265 nan 8.270 nan 0.000 0.435 29 A N 0.409 123.243 122.820 0.023 0.000 2.261 29 A HA 0.186 4.506 4.320 -0.000 0.000 0.208 29 A C 1.000 178.631 177.584 0.078 0.000 1.223 29 A CA 0.643 52.719 52.037 0.065 0.000 0.833 29 A CB -0.359 18.703 19.000 0.103 0.000 0.830 29 A HN 0.465 nan 8.150 nan 0.000 0.483 30 G N -0.963 107.854 108.800 0.029 0.000 2.314 30 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.292 30 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.292 30 G C 0.501 175.432 174.900 0.052 0.000 1.059 30 G CA 0.794 45.891 45.100 -0.004 0.000 0.982 30 G HN 0.451 nan 8.290 nan 0.000 0.505 31 M N -1.857 117.795 119.600 0.086 0.000 2.567 31 M HA 0.462 4.942 4.480 -0.000 0.000 0.261 31 M C 0.676 177.037 176.300 0.101 0.000 1.180 31 M CA 0.566 55.954 55.300 0.147 0.000 1.143 31 M CB 0.536 33.258 32.600 0.203 0.000 1.319 31 M HN 0.288 nan 8.290 nan 0.000 0.490 32 L N -0.535 120.697 121.223 0.016 0.000 2.424 32 L HA 0.587 4.927 4.340 -0.000 0.000 0.258 32 L C -1.242 175.626 176.870 -0.004 0.000 0.995 32 L CA -0.385 54.403 54.840 -0.087 0.000 0.821 32 L CB 2.237 44.181 42.059 -0.191 0.000 1.383 32 L HN 0.013 nan 8.230 nan 0.000 0.410 33 R N 2.332 122.853 120.500 0.035 0.000 2.515 33 R HA 0.361 4.700 4.340 -0.000 0.000 0.278 33 R C -1.524 174.878 176.300 0.171 0.000 1.107 33 R CA -0.622 55.541 56.100 0.104 0.000 0.945 33 R CB 1.709 32.044 30.300 0.058 0.000 1.219 33 R HN 0.810 nan 8.270 nan 0.000 0.434 34 Q N 3.197 123.102 119.800 0.174 0.000 2.313 34 Q HA 0.047 4.387 4.340 -0.000 0.000 0.266 34 Q C -0.407 175.502 176.000 -0.153 0.000 0.989 34 Q CA 0.385 56.093 55.803 -0.158 0.000 0.890 34 Q CB 1.131 29.798 28.738 -0.118 0.000 1.200 34 Q HN 0.575 nan 8.270 nan 0.000 0.396 35 E N 2.140 122.200 120.200 -0.233 0.000 2.485 35 E HA 0.312 4.662 4.350 -0.000 0.000 0.213 35 E C -0.641 175.867 176.600 -0.152 0.000 0.923 35 E CA 0.530 56.845 56.400 -0.141 0.000 1.054 35 E CB 1.451 31.088 29.700 -0.105 0.000 1.077 35 E HN 0.653 nan 8.360 nan 0.000 0.509 36 A N 0.390 123.072 122.820 -0.229 0.000 2.601 36 A HA 0.665 4.985 4.320 -0.000 0.000 0.291 36 A C -1.098 176.335 177.584 -0.250 0.000 1.075 36 A CA -0.248 51.681 52.037 -0.180 0.000 0.671 36 A CB 0.759 19.689 19.000 -0.116 0.000 1.277 36 A HN 0.012 nan 8.150 nan 0.000 0.417 37 A N 0.089 122.810 122.820 -0.165 0.000 2.558 37 A HA 0.456 4.776 4.320 -0.000 0.000 0.262 37 A C 1.709 179.174 177.584 -0.198 0.000 1.049 37 A CA 1.489 53.429 52.037 -0.162 0.000 0.804 37 A CB -1.289 17.654 19.000 -0.095 0.000 0.957 37 A HN 2.853 nan 8.150 nan 0.000 0.520 38 G N 1.756 110.389 108.800 -0.278 0.000 2.168 38 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.257 38 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.257 38 G C -0.002 174.776 174.900 -0.203 0.000 0.997 38 G CA 0.669 45.663 45.100 -0.177 0.000 0.708 38 G HN 1.001 nan 8.290 nan 0.000 0.520 39 I N -0.125 120.186 120.570 -0.432 0.000 2.439 39 I HA 0.526 4.696 4.170 -0.000 0.000 0.285 39 I C -0.503 175.317 176.117 -0.494 0.000 1.021 39 I CA -1.145 59.998 61.300 -0.263 0.000 1.091 39 I CB 1.354 39.284 38.000 -0.117 0.000 1.242 39 I HN 0.022 nan 8.210 nan 0.000 0.439 40 Y N 3.990 124.234 120.300 -0.093 0.000 2.485 40 Y HA 0.729 5.279 4.550 -0.000 0.000 0.345 40 Y C 0.403 176.148 175.900 -0.257 0.000 0.998 40 Y CA -0.945 57.017 58.100 -0.231 0.000 1.059 40 Y CB 1.938 40.131 38.460 -0.444 0.000 1.234 40 Y HN 0.563 nan 8.280 nan 0.000 0.461 41 A N 1.633 124.417 122.820 -0.060 0.000 2.327 41 A HA 0.538 4.858 4.320 -0.000 0.000 0.283 41 A C -1.710 175.782 177.584 -0.155 0.000 1.127 41 A CA -0.509 51.517 52.037 -0.018 0.000 0.810 41 A CB 0.179 19.195 19.000 0.026 0.000 1.066 41 A HN 0.780 nan 8.150 nan 0.000 0.492 42 W N 3.097 124.465 121.300 0.112 0.000 2.278 42 W HA 0.526 5.186 4.660 -0.000 0.000 0.317 42 W C -0.306 176.286 176.519 0.120 0.000 1.030 42 W CA -0.337 57.098 57.345 0.151 0.000 1.334 42 W CB 0.595 30.181 29.460 0.210 0.000 1.215 42 W HN 0.469 nan 8.180 nan 0.000 0.405 43 L N 5.333 126.714 121.223 0.264 0.000 2.472 43 L HA 0.202 4.542 4.340 -0.000 0.000 0.260 43 L C -1.021 176.007 176.870 0.263 0.000 1.209 43 L CA -1.631 53.350 54.840 0.236 0.000 0.817 43 L CB 0.307 42.462 42.059 0.160 0.000 1.106 43 L HN 0.139 nan 8.230 nan 0.000 0.479 44 P HA -0.186 nan 4.420 nan 0.000 0.215 44 P C 1.626 179.103 177.300 0.295 0.000 1.157 44 P CA 0.933 64.148 63.100 0.192 0.000 0.868 44 P CB 0.173 31.817 31.700 -0.094 0.000 0.788 45 L N -0.411 120.981 121.223 0.280 0.000 2.083 45 L HA -0.044 4.295 4.340 -0.000 0.000 0.209 45 L C 2.307 179.348 176.870 0.286 0.000 1.083 45 L CA 2.270 57.338 54.840 0.379 0.000 0.752 45 L CB -1.499 40.810 42.059 0.417 0.000 0.899 45 L HN -0.038 nan 8.230 nan 0.000 0.433 46 G N -2.372 106.615 108.800 0.312 0.000 2.422 46 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.218 46 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.218 46 G C 1.501 176.643 174.900 0.403 0.000 1.140 46 G CA 0.913 46.237 45.100 0.374 0.000 0.775 46 G HN 0.563 nan 8.290 nan 0.000 0.545 47 H N 0.548 119.788 119.070 0.282 0.000 2.357 47 H HA 0.105 4.661 4.556 -0.000 0.000 0.301 47 H C 2.712 178.068 175.328 0.047 0.000 1.082 47 H CA 1.303 57.459 56.048 0.179 0.000 1.342 47 H CB -0.096 29.778 29.762 0.187 0.000 1.389 47 H HN 0.211 nan 8.280 nan 0.000 0.511 48 R N -0.503 119.987 120.500 -0.018 0.000 2.117 48 R HA -0.115 4.225 4.340 -0.000 0.000 0.243 48 R C 2.353 178.505 176.300 -0.247 0.000 1.143 48 R CA 1.524 57.524 56.100 -0.167 0.000 0.968 48 R CB -0.373 29.858 30.300 -0.115 0.000 0.863 48 R HN 0.246 nan 8.270 nan 0.000 0.444 49 V N 0.089 119.885 119.914 -0.196 0.000 2.302 49 V HA -0.158 3.961 4.120 -0.000 0.000 0.243 49 V C 2.033 177.979 176.094 -0.246 0.000 1.036 49 V CA 1.266 63.382 62.300 -0.307 0.000 1.020 49 V CB -0.534 31.041 31.823 -0.414 0.000 0.657 49 V HN 0.244 nan 8.190 nan 0.000 0.453 50 L N 0.462 121.581 121.223 -0.174 0.000 2.051 50 L HA -0.228 4.112 4.340 -0.000 0.000 0.214 50 L C 2.474 179.183 176.870 -0.269 0.000 1.076 50 L CA 2.030 56.732 54.840 -0.230 0.000 0.758 50 L CB -0.751 41.110 42.059 -0.331 0.000 0.890 50 L HN 0.188 nan 8.230 nan 0.000 0.433 51 K N -0.308 119.900 120.400 -0.319 0.000 2.009 51 K HA -0.163 4.157 4.320 -0.000 0.000 0.210 51 K C 2.070 178.537 176.600 -0.221 0.000 1.049 51 K CA 1.349 57.465 56.287 -0.286 0.000 0.929 51 K CB -0.453 31.848 32.500 -0.332 0.000 0.714 51 K HN 0.349 nan 8.250 nan 0.000 0.440 52 K N 0.956 121.220 120.400 -0.228 0.000 2.044 52 K HA -0.117 4.203 4.320 -0.000 0.000 0.210 52 K C 2.356 178.854 176.600 -0.169 0.000 1.049 52 K CA 1.202 57.372 56.287 -0.194 0.000 0.927 52 K CB -0.600 31.767 32.500 -0.222 0.000 0.713 52 K HN 0.206 nan 8.250 nan 0.000 0.443 53 I N 1.056 121.520 120.570 -0.176 0.000 2.179 53 I HA -0.268 3.902 4.170 -0.000 0.000 0.242 53 I C 2.590 178.613 176.117 -0.157 0.000 1.088 53 I CA 1.229 62.441 61.300 -0.146 0.000 1.357 53 I CB -0.263 37.664 38.000 -0.122 0.000 1.051 53 I HN 0.280 nan 8.210 nan 0.000 0.409 54 E N 0.319 120.415 120.200 -0.174 0.000 2.049 54 E HA -0.357 3.993 4.350 -0.000 0.000 0.198 54 E C 2.153 178.671 176.600 -0.137 0.000 1.007 54 E CA 1.881 58.181 56.400 -0.166 0.000 0.809 54 E CB -0.041 29.554 29.700 -0.175 0.000 0.749 54 E HN 0.318 nan 8.360 nan 0.000 0.450 55 Q N 0.636 120.358 119.800 -0.130 0.000 2.124 55 Q HA -0.121 4.219 4.340 -0.000 0.000 0.202 55 Q C 1.897 177.830 176.000 -0.111 0.000 0.977 55 Q CA 1.282 57.022 55.803 -0.105 0.000 0.850 55 Q CB -0.161 28.517 28.738 -0.100 0.000 0.901 55 Q HN 0.359 nan 8.270 nan 0.000 0.429 56 I N -0.991 119.501 120.570 -0.130 0.000 2.113 56 I HA -0.294 3.876 4.170 -0.000 0.000 0.238 56 I C 2.066 178.068 176.117 -0.192 0.000 1.070 56 I CA 1.084 62.297 61.300 -0.145 0.000 1.332 56 I CB -0.498 37.415 38.000 -0.144 0.000 1.044 56 I HN 0.056 nan 8.210 nan 0.000 0.402 57 V N 1.032 120.810 119.914 -0.227 0.000 2.250 57 V HA -0.392 3.728 4.120 -0.000 0.000 0.250 57 V C 2.658 178.593 176.094 -0.264 0.000 1.060 57 V CA 2.525 64.646 62.300 -0.298 0.000 1.030 57 V CB -0.861 30.792 31.823 -0.282 0.000 0.643 57 V HN 0.453 nan 8.190 nan 0.000 0.445 58 R N 0.043 120.449 120.500 -0.156 0.000 2.097 58 R HA -0.257 4.083 4.340 -0.000 0.000 0.236 58 R C 2.320 178.560 176.300 -0.100 0.000 1.135 58 R CA 2.469 58.533 56.100 -0.060 0.000 0.934 58 R CB -0.457 29.859 30.300 0.027 0.000 0.846 58 R HN 0.634 nan 8.270 nan 0.000 0.431 59 E N -0.412 119.729 120.200 -0.099 0.000 2.114 59 E HA -0.227 4.123 4.350 -0.000 0.000 0.199 59 E C 1.999 178.516 176.600 -0.139 0.000 1.008 59 E CA 1.633 57.976 56.400 -0.096 0.000 0.810 59 E CB 0.020 29.669 29.700 -0.086 0.000 0.739 59 E HN 0.432 nan 8.360 nan 0.000 0.456 60 E N 0.168 120.250 120.200 -0.196 0.000 2.122 60 E HA -0.101 4.249 4.350 -0.000 0.000 0.190 60 E C 2.132 178.546 176.600 -0.308 0.000 0.977 60 E CA 0.491 56.755 56.400 -0.227 0.000 0.820 60 E CB -0.056 29.498 29.700 -0.243 0.000 0.770 60 E HN 0.277 nan 8.360 nan 0.000 0.462 61 Q N 0.966 120.533 119.800 -0.389 0.000 2.061 61 Q HA -0.120 4.220 4.340 -0.000 0.000 0.204 61 Q C 1.864 177.653 176.000 -0.352 0.000 0.984 61 Q CA 0.971 56.470 55.803 -0.507 0.000 0.846 61 Q CB -0.473 27.667 28.738 -0.996 0.000 0.902 61 Q HN 0.259 nan 8.270 nan 0.000 0.421 62 N N 0.740 119.313 118.700 -0.213 0.000 2.104 62 N HA -0.157 4.583 4.740 -0.000 0.000 0.190 62 N C 1.732 177.152 175.510 -0.150 0.000 1.024 62 N CA 0.877 53.875 53.050 -0.087 0.000 0.853 62 N CB -0.363 38.120 38.487 -0.007 0.000 1.008 62 N HN 0.239 nan 8.380 nan 0.000 0.424 63 R N 0.769 121.155 120.500 -0.190 0.000 2.120 63 R HA 0.013 4.353 4.340 -0.000 0.000 0.234 63 R C 1.429 177.466 176.300 -0.439 0.000 1.123 63 R CA 1.154 57.132 56.100 -0.204 0.000 0.975 63 R CB -0.081 30.142 30.300 -0.127 0.000 0.866 63 R HN 0.159 nan 8.270 nan 0.000 0.446 64 A N -0.745 121.672 122.820 -0.671 0.000 2.238 64 A HA 0.201 4.521 4.320 -0.000 0.000 0.208 64 A C 1.268 178.540 177.584 -0.519 0.000 1.177 64 A CA 0.834 52.207 52.037 -1.107 0.000 0.804 64 A CB 0.032 18.450 19.000 -0.971 0.000 0.823 64 A HN 0.544 nan 8.150 nan 0.000 0.482 65 G N -2.206 106.422 108.800 -0.288 0.000 2.179 65 G HA2 0.110 4.070 3.960 -0.000 0.000 0.220 65 G HA3 0.110 4.070 3.960 -0.000 0.000 0.220 65 G C 0.460 175.334 174.900 -0.044 0.000 0.990 65 G CA 0.153 45.178 45.100 -0.125 0.000 0.646 65 G HN 1.531 nan 8.290 nan 0.000 0.517 66 A N -0.051 122.738 122.820 -0.052 0.000 2.351 66 A HA 0.747 5.066 4.320 -0.000 0.000 0.257 66 A C 0.254 177.990 177.584 0.253 0.000 1.087 66 A CA 0.089 52.184 52.037 0.096 0.000 0.798 66 A CB 0.381 19.395 19.000 0.022 0.000 1.033 66 A HN 0.795 nan 8.150 nan 0.000 0.488 67 I N 1.182 121.920 120.570 0.279 0.000 2.362 67 I HA 0.246 4.416 4.170 -0.000 0.000 0.289 67 I C 0.365 176.444 176.117 -0.065 0.000 0.994 67 I CA -0.187 61.193 61.300 0.133 0.000 1.158 67 I CB 1.598 39.632 38.000 0.057 0.000 1.315 67 I HN 0.803 nan 8.210 nan 0.000 0.451 68 E N 6.641 126.642 120.200 -0.332 0.000 2.331 68 E HA 0.518 4.868 4.350 -0.000 0.000 0.272 68 E C -1.257 175.121 176.600 -0.370 0.000 1.036 68 E CA -0.498 55.409 56.400 -0.822 0.000 0.864 68 E CB 1.029 30.248 29.700 -0.803 0.000 1.035 68 E HN 0.463 nan 8.360 nan 0.000 0.408 69 L N 1.511 122.544 121.223 -0.316 0.000 2.485 69 L HA 0.675 5.015 4.340 -0.000 0.000 0.245 69 L C -1.698 175.135 176.870 -0.061 0.000 1.137 69 L CA -1.199 53.553 54.840 -0.147 0.000 0.954 69 L CB 0.491 42.490 42.059 -0.100 0.000 1.560 69 L HN 0.455 nan 8.230 nan 0.000 0.403 70 L N 0.428 121.652 121.223 0.003 0.000 2.438 70 L HA 0.741 5.081 4.340 -0.000 0.000 0.270 70 L C -1.102 175.842 176.870 0.123 0.000 0.972 70 L CA -0.221 54.694 54.840 0.125 0.000 0.831 70 L CB 1.850 43.952 42.059 0.072 0.000 1.273 70 L HN 0.708 nan 8.230 nan 0.000 0.405 71 M N 6.144 125.894 119.600 0.250 0.000 2.359 71 M HA 0.536 5.016 4.480 -0.000 0.000 0.322 71 M C -2.180 174.220 176.300 0.166 0.000 1.166 71 M CA -1.721 53.647 55.300 0.114 0.000 1.067 71 M CB 1.400 33.979 32.600 -0.034 0.000 1.523 71 M HN 0.443 nan 8.290 nan 0.000 0.467 72 P HA 0.064 nan 4.420 nan 0.000 0.272 72 P C 0.170 177.469 177.300 -0.001 0.000 1.230 72 P CA -0.089 63.033 63.100 0.036 0.000 0.788 72 P CB 0.388 32.094 31.700 0.010 0.000 0.949 73 T N -0.894 113.598 114.554 -0.104 0.000 2.896 73 T HA 0.040 4.390 4.350 -0.000 0.000 0.263 73 T C 0.980 175.395 174.700 -0.475 0.000 1.050 73 T CA 0.632 62.527 62.100 -0.341 0.000 1.140 73 T CB -0.487 68.098 68.868 -0.471 0.000 0.877 73 T HN 0.224 nan 8.240 nan 0.000 0.457 74 L N 1.687 122.740 121.223 -0.284 0.000 2.307 74 L HA 0.514 4.854 4.340 -0.000 0.000 0.282 74 L C -0.209 176.629 176.870 -0.055 0.000 1.051 74 L CA -0.777 53.952 54.840 -0.186 0.000 0.804 74 L CB 1.480 43.465 42.059 -0.124 0.000 1.197 74 L HN 0.197 nan 8.230 nan 0.000 0.431 75 Q N 3.283 123.080 119.800 -0.005 0.000 2.356 75 Q HA 0.492 4.832 4.340 -0.000 0.000 0.270 75 Q C -1.084 174.973 176.000 0.094 0.000 1.058 75 Q CA -0.844 55.018 55.803 0.097 0.000 0.802 75 Q CB 3.019 31.908 28.738 0.251 0.000 1.303 75 Q HN 0.505 nan 8.270 nan 0.000 0.444 76 L N 1.951 123.247 121.223 0.121 0.000 2.584 76 L HA -0.021 4.319 4.340 -0.000 0.000 0.272 76 L C 1.315 178.309 176.870 0.207 0.000 1.195 76 L CA -0.036 54.877 54.840 0.123 0.000 0.920 76 L CB 0.252 42.374 42.059 0.105 0.000 1.173 76 L HN 0.898 nan 8.230 nan 0.000 0.489 77 A N 2.344 125.257 122.820 0.155 0.000 2.131 77 A HA -0.193 4.126 4.320 -0.000 0.000 0.220 77 A C 1.778 179.517 177.584 0.258 0.000 1.158 77 A CA 1.265 53.447 52.037 0.242 0.000 0.665 77 A CB -0.333 18.831 19.000 0.273 0.000 0.795 77 A HN 0.865 nan 8.150 nan 0.000 0.460 78 D N -0.143 120.343 120.400 0.144 0.000 2.127 78 D HA -0.199 4.441 4.640 -0.000 0.000 0.190 78 D C 1.768 178.141 176.300 0.122 0.000 1.000 78 D CA 1.452 55.498 54.000 0.077 0.000 0.839 78 D CB -0.484 40.344 40.800 0.047 0.000 0.955 78 D HN 0.298 nan 8.370 nan 0.000 0.446 79 L N -0.168 121.156 121.223 0.168 0.000 2.085 79 L HA -0.226 4.114 4.340 -0.000 0.000 0.218 79 L C 2.141 179.061 176.870 0.084 0.000 1.080 79 L CA 1.681 56.585 54.840 0.107 0.000 0.776 79 L CB -0.672 41.464 42.059 0.129 0.000 0.891 79 L HN 0.243 nan 8.230 nan 0.000 0.437 80 W N -0.837 120.517 121.300 0.091 0.000 2.476 80 W HA -0.011 4.649 4.660 -0.000 0.000 0.281 80 W C 2.609 179.217 176.519 0.148 0.000 1.230 80 W CA 0.574 58.016 57.345 0.161 0.000 1.287 80 W CB -0.362 29.260 29.460 0.270 0.000 1.108 80 W HN 0.010 nan 8.180 nan 0.000 0.567 81 R N 0.210 120.839 120.500 0.216 0.000 2.189 81 R HA -0.097 4.243 4.340 -0.000 0.000 0.218 81 R C 1.815 178.140 176.300 0.042 0.000 1.074 81 R CA 1.089 57.224 56.100 0.058 0.000 0.991 81 R CB -0.386 29.829 30.300 -0.142 0.000 0.883 81 R HN 0.339 nan 8.270 nan 0.000 0.457 82 E N 0.863 121.082 120.200 0.031 0.000 2.047 82 E HA -0.153 4.197 4.350 -0.000 0.000 0.191 82 E C 1.797 178.390 176.600 -0.011 0.000 0.987 82 E CA 1.665 58.065 56.400 -0.000 0.000 0.799 82 E CB 0.144 29.838 29.700 -0.010 0.000 0.752 82 E HN 0.281 nan 8.360 nan 0.000 0.449 83 S N -1.025 114.664 115.700 -0.018 0.000 2.501 83 S HA 0.104 4.574 4.470 -0.000 0.000 0.220 83 S C 1.310 175.898 174.600 -0.019 0.000 0.997 83 S CA 0.619 58.795 58.200 -0.040 0.000 0.919 83 S CB 0.427 63.605 63.200 -0.037 0.000 0.778 83 S HN 0.404 nan 8.310 nan 0.000 0.523 84 G N 1.684 110.515 108.800 0.050 0.000 2.324 84 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.292 84 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.292 84 G C 0.319 175.297 174.900 0.130 0.000 1.079 84 G CA 0.169 45.329 45.100 0.100 0.000 1.026 84 G HN 0.523 nan 8.290 nan 0.000 0.506 85 R N -0.932 119.698 120.500 0.217 0.000 2.509 85 R HA 0.179 4.519 4.340 -0.000 0.000 0.300 85 R C 1.644 178.221 176.300 0.461 0.000 0.985 85 R CA -0.376 55.894 56.100 0.283 0.000 1.092 85 R CB 0.037 30.502 30.300 0.275 0.000 1.237 85 R HN 0.470 nan 8.270 nan 0.000 0.546 86 Y N 1.658 122.142 120.300 0.307 0.000 2.173 86 Y HA -0.299 4.251 4.550 -0.000 0.000 0.282 86 Y C 1.159 177.176 175.900 0.194 0.000 1.192 86 Y CA 1.803 60.070 58.100 0.278 0.000 1.176 86 Y CB 0.204 38.772 38.460 0.180 0.000 0.969 86 Y HN 0.031 nan 8.280 nan 0.000 0.519 87 D N -1.437 119.015 120.400 0.086 0.000 2.431 87 D HA 0.237 4.877 4.640 -0.000 0.000 0.213 87 D C 1.819 178.139 176.300 0.034 0.000 1.130 87 D CA 0.678 54.665 54.000 -0.023 0.000 0.834 87 D CB 0.310 41.118 40.800 0.013 0.000 0.985 87 D HN 0.392 nan 8.370 nan 0.000 0.504 88 A N -0.062 122.812 122.820 0.090 0.000 1.969 88 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 88 A C 1.600 179.135 177.584 -0.081 0.000 1.169 88 A CA 1.067 53.109 52.037 0.008 0.000 0.635 88 A CB -0.490 18.517 19.000 0.012 0.000 0.810 88 A HN 0.229 nan 8.150 nan 0.000 0.445 89 Y N -0.966 119.379 120.300 0.074 0.000 2.503 89 Y HA 0.298 4.848 4.550 -0.000 0.000 0.278 89 Y C 2.045 177.951 175.900 0.011 0.000 1.111 89 Y CA 0.377 58.509 58.100 0.053 0.000 1.270 89 Y CB 0.018 38.514 38.460 0.059 0.000 1.063 89 Y HN 0.530 nan 8.280 nan 0.000 0.548 90 G N 0.910 109.769 108.800 0.098 0.000 2.556 90 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.283 90 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.283 90 G C -1.390 173.531 174.900 0.035 0.000 1.177 90 G CA 0.204 45.325 45.100 0.035 0.000 0.978 90 G HN 0.240 nan 8.290 nan 0.000 0.554 91 P HA 0.102 nan 4.420 nan 0.000 0.218 91 P C 1.418 178.753 177.300 0.058 0.000 1.149 91 P CA 1.541 64.662 63.100 0.034 0.000 0.817 91 P CB -0.074 31.644 31.700 0.031 0.000 0.785 92 E N -1.418 118.837 120.200 0.092 0.000 2.510 92 E HA -0.070 4.280 4.350 -0.000 0.000 0.202 92 E C 0.480 177.143 176.600 0.105 0.000 1.072 92 E CA 0.477 56.945 56.400 0.113 0.000 0.883 92 E CB -0.110 29.702 29.700 0.186 0.000 0.818 92 E HN 0.234 nan 8.360 nan 0.000 0.548 93 M N 1.265 120.910 119.600 0.076 0.000 2.243 93 M HA 0.196 4.676 4.480 -0.000 0.000 0.324 93 M C -1.204 175.100 176.300 0.006 0.000 1.031 93 M CA -0.977 54.332 55.300 0.014 0.000 0.949 93 M CB 1.569 34.146 32.600 -0.038 0.000 1.615 93 M HN -0.068 nan 8.290 nan 0.000 0.430 94 L N 6.513 127.758 121.223 0.036 0.000 2.282 94 L HA 0.384 4.724 4.340 -0.000 0.000 0.287 94 L C -0.317 176.512 176.870 -0.068 0.000 1.075 94 L CA 0.193 55.030 54.840 -0.005 0.000 0.839 94 L CB 0.195 42.216 42.059 -0.062 0.000 1.219 94 L HN 0.601 nan 8.230 nan 0.000 0.434 95 R N 5.270 125.728 120.500 -0.069 0.000 2.404 95 R HA 0.667 5.007 4.340 -0.000 0.000 0.291 95 R C -0.843 175.429 176.300 -0.047 0.000 1.025 95 R CA -0.578 55.484 56.100 -0.063 0.000 0.991 95 R CB 1.430 31.700 30.300 -0.050 0.000 1.053 95 R HN 0.568 nan 8.270 nan 0.000 0.479 96 I N 0.588 121.139 120.570 -0.033 0.000 2.934 96 I HA 0.525 4.695 4.170 -0.000 0.000 0.306 96 I C -0.676 175.436 176.117 -0.009 0.000 1.110 96 I CA -1.019 60.264 61.300 -0.028 0.000 1.019 96 I CB 2.356 40.339 38.000 -0.028 0.000 1.227 96 I HN 0.602 nan 8.210 nan 0.000 0.434 97 A N 2.923 125.737 122.820 -0.010 0.000 2.343 97 A HA 0.623 4.943 4.320 -0.000 0.000 0.308 97 A C -0.854 176.724 177.584 -0.010 0.000 1.092 97 A CA -0.668 51.370 52.037 0.000 0.000 0.751 97 A CB 0.852 19.853 19.000 0.003 0.000 1.203 97 A HN 0.750 nan 8.150 nan 0.000 0.452 98 D N 1.367 121.767 120.400 -0.000 0.000 2.398 98 D HA 0.036 4.676 4.640 -0.000 0.000 0.264 98 D C 1.123 177.377 176.300 -0.077 0.000 1.263 98 D CA -0.366 53.620 54.000 -0.023 0.000 1.037 98 D CB 0.291 41.099 40.800 0.013 0.000 1.101 98 D HN 0.577 nan 8.370 nan 0.000 0.551 99 R N -1.315 119.070 120.500 -0.192 0.000 2.339 99 R HA -0.016 4.324 4.340 -0.000 0.000 0.199 99 R C 0.165 176.208 176.300 -0.428 0.000 1.018 99 R CA 0.655 56.565 56.100 -0.318 0.000 1.036 99 R CB -0.466 29.600 30.300 -0.390 0.000 0.899 99 R HN 0.422 nan 8.270 nan 0.000 0.473 100 H N 1.928 120.997 119.070 -0.003 0.000 2.649 100 H HA 0.123 4.679 4.556 -0.000 0.000 0.258 100 H C -0.489 174.839 175.328 0.000 0.000 1.165 100 H CA -0.235 55.812 56.048 -0.001 0.000 1.006 100 H CB 0.459 30.220 29.762 -0.001 0.000 1.743 100 H HN 0.241 nan 8.280 nan 0.000 0.609 101 K N 1.335 121.773 120.400 0.062 0.000 4.430 101 K HA -0.237 4.083 4.320 -0.000 0.000 0.283 101 K C -0.636 175.999 176.600 0.058 0.000 0.845 101 K CA 0.576 56.890 56.287 0.045 0.000 0.819 101 K CB -1.394 31.126 32.500 0.033 0.000 1.735 101 K HN 0.280 nan 8.250 nan 0.000 0.429 102 R N 2.317 122.854 120.500 0.062 0.000 2.337 102 R HA 0.066 4.406 4.340 -0.000 0.000 0.319 102 R C -0.441 175.887 176.300 0.046 0.000 0.954 102 R CA -0.837 55.296 56.100 0.056 0.000 0.840 102 R CB 0.992 31.331 30.300 0.066 0.000 1.164 102 R HN 0.507 nan 8.270 nan 0.000 0.472 103 E N 4.181 124.409 120.200 0.048 0.000 2.901 103 E HA -0.149 4.201 4.350 -0.000 0.000 0.225 103 E C -0.004 176.630 176.600 0.056 0.000 1.184 103 E CA 0.536 56.973 56.400 0.063 0.000 0.933 103 E CB -0.178 29.573 29.700 0.085 0.000 1.021 103 E HN 0.313 nan 8.360 nan 0.000 0.517 104 L N 2.582 123.824 121.223 0.032 0.000 2.397 104 L HA 0.679 5.019 4.340 -0.000 0.000 0.266 104 L C -0.020 176.835 176.870 -0.026 0.000 1.040 104 L CA -1.603 53.244 54.840 0.012 0.000 0.800 104 L CB 0.655 42.717 42.059 0.005 0.000 1.324 104 L HN 0.484 nan 8.230 nan 0.000 0.469 105 L N -1.583 119.606 121.223 -0.057 0.000 2.643 105 L HA 0.402 4.741 4.340 -0.000 0.000 0.256 105 L C -1.230 175.606 176.870 -0.057 0.000 0.931 105 L CA -0.582 54.201 54.840 -0.095 0.000 0.895 105 L CB 1.178 43.094 42.059 -0.237 0.000 1.430 105 L HN 0.333 nan 8.230 nan 0.000 0.419 106 Y N 1.707 121.929 120.300 -0.131 0.000 2.480 106 Y HA 0.584 5.134 4.550 -0.000 0.000 0.341 106 Y C 1.173 177.046 175.900 -0.045 0.000 1.031 106 Y CA 0.463 58.516 58.100 -0.077 0.000 1.295 106 Y CB 1.183 39.560 38.460 -0.137 0.000 1.162 106 Y HN 1.001 nan 8.280 nan 0.000 0.523 107 G N 8.015 116.844 108.800 0.049 0.000 2.334 107 G HA2 0.119 4.079 3.960 -0.000 0.000 0.261 107 G HA3 0.119 4.079 3.960 -0.000 0.000 0.261 107 G C -1.901 173.097 174.900 0.163 0.000 1.257 107 G CA -1.031 44.128 45.100 0.099 0.000 0.935 107 G HN 0.639 nan 8.290 nan 0.000 0.480 108 P HA 0.077 nan 4.420 nan 0.000 0.236 108 P C 0.614 177.965 177.300 0.084 0.000 1.177 108 P CA 0.673 63.765 63.100 -0.013 0.000 0.773 108 P CB 0.805 32.241 31.700 -0.440 0.000 0.878 109 T N -1.482 113.200 114.554 0.215 0.000 2.648 109 T HA 0.297 4.647 4.350 -0.000 0.000 0.300 109 T C -1.079 173.807 174.700 0.311 0.000 1.751 109 T CA -0.444 61.823 62.100 0.279 0.000 0.959 109 T CB 0.081 69.114 68.868 0.276 0.000 1.888 109 T HN -0.218 nan 8.240 nan 0.000 0.480 110 N N -0.275 118.557 118.700 0.220 0.000 2.142 110 N HA 0.224 4.963 4.740 -0.000 0.000 0.233 110 N C 0.645 175.884 175.510 -0.451 0.000 1.335 110 N CA -0.151 52.907 53.050 0.014 0.000 0.837 110 N CB 0.710 39.282 38.487 0.143 0.000 1.238 110 N HN 0.450 nan 8.380 nan 0.000 0.501 111 E N 1.069 120.931 120.200 -0.565 0.000 2.136 111 E HA -0.242 4.108 4.350 -0.000 0.000 0.202 111 E C 1.068 177.158 176.600 -0.850 0.000 1.019 111 E CA 1.593 57.419 56.400 -0.958 0.000 0.819 111 E CB 0.071 28.947 29.700 -1.372 0.000 0.739 111 E HN 0.425 nan 8.360 nan 0.000 0.458 112 E N -1.061 118.716 120.200 -0.706 0.000 2.170 112 E HA 0.028 4.378 4.350 -0.000 0.000 0.191 112 E C 1.867 178.286 176.600 -0.302 0.000 0.981 112 E CA 0.460 56.555 56.400 -0.508 0.000 0.830 112 E CB 0.006 29.292 29.700 -0.690 0.000 0.775 112 E HN 0.165 nan 8.360 nan 0.000 0.470 113 M N 0.080 119.527 119.600 -0.256 0.000 2.086 113 M HA -0.103 4.376 4.480 -0.000 0.000 0.261 113 M C 2.283 178.510 176.300 -0.122 0.000 1.067 113 M CA 1.127 56.352 55.300 -0.125 0.000 1.116 113 M CB -0.341 32.221 32.600 -0.064 0.000 1.348 113 M HN 0.211 nan 8.290 nan 0.000 0.407 114 I N 0.371 120.806 120.570 -0.224 0.000 2.315 114 I HA -0.202 3.968 4.170 -0.000 0.000 0.248 114 I C 2.060 178.230 176.117 0.089 0.000 1.117 114 I CA 1.563 62.797 61.300 -0.109 0.000 1.404 114 I CB -0.387 37.444 38.000 -0.282 0.000 1.071 114 I HN 0.255 nan 8.210 nan 0.000 0.419 115 T N 0.288 114.869 114.554 0.045 0.000 2.746 115 T HA -0.194 4.156 4.350 -0.000 0.000 0.267 115 T C 1.859 176.651 174.700 0.155 0.000 1.039 115 T CA 1.449 63.671 62.100 0.203 0.000 1.142 115 T CB -0.334 68.598 68.868 0.107 0.000 0.866 115 T HN 0.417 nan 8.240 nan 0.000 0.444 116 E N 0.962 121.184 120.200 0.037 0.000 2.160 116 E HA -0.137 4.213 4.350 -0.000 0.000 0.195 116 E C 2.092 178.696 176.600 0.007 0.000 0.991 116 E CA 1.018 57.423 56.400 0.008 0.000 0.810 116 E CB -0.213 29.474 29.700 -0.022 0.000 0.742 116 E HN 0.532 nan 8.360 nan 0.000 0.466 117 I N -0.106 120.494 120.570 0.051 0.000 2.333 117 I HA -0.183 3.986 4.170 -0.000 0.000 0.246 117 I C 2.370 178.565 176.117 0.130 0.000 1.106 117 I CA 0.470 61.833 61.300 0.105 0.000 1.411 117 I CB -0.395 37.676 38.000 0.118 0.000 1.082 117 I HN 0.054 nan 8.210 nan 0.000 0.420 118 F N 3.107 123.005 119.950 -0.087 0.000 2.126 118 F HA -0.271 4.256 4.527 -0.000 0.000 0.299 118 F C 2.619 178.367 175.800 -0.087 0.000 1.096 118 F CA 1.896 59.776 58.000 -0.200 0.000 1.255 118 F CB -0.247 38.480 39.000 -0.454 0.000 0.997 118 F HN -0.012 nan 8.300 nan 0.000 0.479 119 R N 0.692 121.142 120.500 -0.084 0.000 2.235 119 R HA 0.160 4.500 4.340 -0.000 0.000 0.213 119 R C 1.842 177.971 176.300 -0.284 0.000 1.059 119 R CA 1.137 57.128 56.100 -0.182 0.000 0.997 119 R CB -1.267 29.027 30.300 -0.011 0.000 0.884 119 R HN 0.194 nan 8.270 nan 0.000 0.462 120 A N -0.375 122.212 122.820 -0.389 0.000 2.067 120 A HA 0.059 4.379 4.320 -0.000 0.000 0.217 120 A C 0.867 177.966 177.584 -0.808 0.000 1.156 120 A CA 0.652 52.270 52.037 -0.699 0.000 0.683 120 A CB -0.251 18.104 19.000 -1.076 0.000 0.808 120 A HN 0.473 nan 8.150 nan 0.000 0.455 121 Y N -1.788 118.378 120.300 -0.224 0.000 2.550 121 Y HA 0.362 4.912 4.550 -0.000 0.000 0.275 121 Y C 0.213 175.956 175.900 -0.263 0.000 1.148 121 Y CA -1.153 56.823 58.100 -0.206 0.000 1.200 121 Y CB 0.636 38.993 38.460 -0.171 0.000 1.299 121 Y HN -0.021 nan 8.280 nan 0.000 0.509 122 I N 2.148 122.530 120.570 -0.314 0.000 2.304 122 I HA 0.257 4.426 4.170 -0.000 0.000 0.291 122 I C 0.420 176.320 176.117 -0.362 0.000 1.018 122 I CA -0.370 60.683 61.300 -0.412 0.000 1.260 122 I CB 1.497 39.005 38.000 -0.819 0.000 1.390 122 I HN 0.132 nan 8.210 nan 0.000 0.475 123 K N 2.646 122.949 120.400 -0.162 0.000 2.450 123 K HA 0.219 4.539 4.320 -0.000 0.000 0.206 123 K C 0.292 176.892 176.600 0.001 0.000 1.148 123 K CA 0.130 56.367 56.287 -0.083 0.000 1.014 123 K CB 1.116 33.580 32.500 -0.060 0.000 0.966 123 K HN 0.470 nan 8.250 nan 0.000 0.566 124 S N 0.036 115.745 115.700 0.015 0.000 2.536 124 S HA 0.229 4.699 4.470 -0.000 0.000 0.287 124 S C 0.584 175.243 174.600 0.099 0.000 1.101 124 S CA -0.729 57.509 58.200 0.062 0.000 0.950 124 S CB 0.718 63.914 63.200 -0.007 0.000 1.056 124 S HN 0.293 nan 8.310 nan 0.000 0.481 125 Y N 3.586 123.938 120.300 0.087 0.000 2.365 125 Y HA -0.049 4.501 4.550 -0.000 0.000 0.287 125 Y C 1.541 177.499 175.900 0.096 0.000 1.162 125 Y CA 1.631 59.796 58.100 0.108 0.000 1.260 125 Y CB -0.364 38.152 38.460 0.093 0.000 0.976 125 Y HN 0.615 nan 8.280 nan 0.000 0.548 126 K N 0.522 120.618 120.400 -0.507 0.000 2.097 126 K HA -0.116 4.204 4.320 -0.000 0.000 0.206 126 K C 2.203 178.720 176.600 -0.138 0.000 1.049 126 K CA 1.521 57.540 56.287 -0.448 0.000 0.933 126 K CB -0.247 32.015 32.500 -0.396 0.000 0.717 126 K HN 0.275 nan 8.250 nan 0.000 0.442 127 S N 0.682 116.355 115.700 -0.044 0.000 2.500 127 S HA -0.006 4.464 4.470 -0.000 0.000 0.239 127 S C 0.593 175.252 174.600 0.097 0.000 0.989 127 S CA 0.614 58.830 58.200 0.027 0.000 0.951 127 S CB -0.166 63.058 63.200 0.040 0.000 0.759 127 S HN 0.134 nan 8.310 nan 0.000 0.523 128 L N 2.213 123.514 121.223 0.131 0.000 2.375 128 L HA 0.437 4.777 4.340 -0.000 0.000 0.268 128 L C -2.097 174.859 176.870 0.144 0.000 1.058 128 L CA -2.341 52.612 54.840 0.188 0.000 0.803 128 L CB 0.220 42.434 42.059 0.258 0.000 1.212 128 L HN -0.048 nan 8.230 nan 0.000 0.451 129 P HA 0.292 nan 4.420 nan 0.000 0.275 129 P C -1.215 176.188 177.300 0.172 0.000 1.228 129 P CA -0.391 62.810 63.100 0.168 0.000 0.786 129 P CB 1.863 33.642 31.700 0.132 0.000 0.927 130 L N 2.343 123.705 121.223 0.232 0.000 2.401 130 L HA 0.601 4.941 4.340 -0.000 0.000 0.266 130 L C -0.926 176.132 176.870 0.314 0.000 0.991 130 L CA -0.409 54.572 54.840 0.235 0.000 0.818 130 L CB 1.976 44.179 42.059 0.239 0.000 1.321 130 L HN 0.365 nan 8.230 nan 0.000 0.413 131 N N 4.852 123.710 118.700 0.264 0.000 2.581 131 N HA 0.368 5.108 4.740 -0.000 0.000 0.279 131 N C -1.767 173.925 175.510 0.303 0.000 1.124 131 N CA -0.295 52.938 53.050 0.305 0.000 0.833 131 N CB 1.004 39.600 38.487 0.183 0.000 1.338 131 N HN 0.594 nan 8.380 nan 0.000 0.533 132 L N 3.193 124.640 121.223 0.374 0.000 2.379 132 L HA 0.559 4.899 4.340 -0.000 0.000 0.269 132 L C -0.367 176.741 176.870 0.397 0.000 1.084 132 L CA -0.945 54.077 54.840 0.304 0.000 0.802 132 L CB 0.853 43.054 42.059 0.236 0.000 1.175 132 L HN 0.512 nan 8.230 nan 0.000 0.448 133 Y N -0.274 120.114 120.300 0.148 0.000 2.609 133 Y HA 0.651 5.201 4.550 -0.000 0.000 0.336 133 Y C -0.956 175.056 175.900 0.187 0.000 1.129 133 Y CA -1.156 57.026 58.100 0.136 0.000 1.040 133 Y CB 1.169 39.668 38.460 0.064 0.000 1.310 133 Y HN 0.710 nan 8.280 nan 0.000 0.460 134 H N 0.924 120.068 119.070 0.124 0.000 2.977 134 H HA 0.820 5.375 4.556 -0.000 0.000 0.350 134 H C -1.821 173.551 175.328 0.073 0.000 1.238 134 H CA -1.749 54.288 56.048 -0.018 0.000 1.124 134 H CB 2.777 32.530 29.762 -0.014 0.000 1.866 134 H HN 0.714 nan 8.280 nan 0.000 0.550 135 I N 2.240 122.760 120.570 -0.083 0.000 2.464 135 I HA 0.217 4.387 4.170 -0.000 0.000 0.277 135 I C -0.848 175.037 176.117 -0.388 0.000 1.040 135 I CA -0.252 60.911 61.300 -0.229 0.000 1.153 135 I CB 1.402 39.320 38.000 -0.137 0.000 1.274 135 I HN 0.544 nan 8.210 nan 0.000 0.469 136 Q N 4.906 124.367 119.800 -0.565 0.000 2.456 136 Q HA 0.434 4.774 4.340 -0.000 0.000 0.284 136 Q C -1.940 173.810 176.000 -0.417 0.000 1.061 136 Q CA -0.559 54.958 55.803 -0.476 0.000 0.799 136 Q CB 1.763 30.175 28.738 -0.544 0.000 1.445 136 Q HN 0.367 nan 8.270 nan 0.000 0.411 137 W N 2.920 124.157 121.300 -0.106 0.000 2.253 137 W HA 0.401 5.061 4.660 -0.000 0.000 0.322 137 W C 0.146 176.665 176.519 0.001 0.000 1.342 137 W CA -0.051 57.274 57.345 -0.033 0.000 1.218 137 W CB 0.755 30.286 29.460 0.118 0.000 1.205 137 W HN 0.248 nan 8.180 nan 0.000 0.551 138 K N 3.082 123.484 120.400 0.005 0.000 2.340 138 K HA 0.616 4.936 4.320 -0.000 0.000 0.244 138 K C -1.684 174.943 176.600 0.045 0.000 0.973 138 K CA -1.251 54.985 56.287 -0.085 0.000 0.828 138 K CB 2.524 34.666 32.500 -0.597 0.000 1.226 138 K HN 0.348 nan 8.250 nan 0.000 0.437 139 F N 1.419 121.436 119.950 0.111 0.000 2.539 139 F HA 0.371 4.898 4.527 -0.000 0.000 0.328 139 F C -0.812 175.080 175.800 0.152 0.000 1.148 139 F CA -0.630 57.400 58.000 0.051 0.000 0.940 139 F CB 1.441 40.205 39.000 -0.394 0.000 1.194 139 F HN 0.312 nan 8.300 nan 0.000 0.438 140 R N 3.798 124.271 120.500 -0.045 0.000 2.409 140 R HA 0.171 4.511 4.340 -0.000 0.000 0.313 140 R C -0.971 175.161 176.300 -0.281 0.000 0.953 140 R CA -0.842 55.237 56.100 -0.034 0.000 0.849 140 R CB 1.245 31.595 30.300 0.083 0.000 1.171 140 R HN 0.474 nan 8.270 nan 0.000 0.458 141 D N 2.735 123.109 120.400 -0.043 0.000 2.848 141 D HA -0.029 4.611 4.640 -0.000 0.000 0.232 141 D C -0.103 176.184 176.300 -0.022 0.000 1.107 141 D CA 0.035 54.044 54.000 0.015 0.000 1.020 141 D CB -0.198 40.738 40.800 0.225 0.000 1.148 141 D HN 0.306 nan 8.370 nan 0.000 0.453 142 E N 0.364 120.509 120.200 -0.093 0.000 2.812 142 E HA -0.209 4.141 4.350 -0.000 0.000 0.276 142 E C 0.992 177.562 176.600 -0.050 0.000 0.946 142 E CA 0.547 56.903 56.400 -0.073 0.000 0.971 142 E CB 0.518 30.143 29.700 -0.125 0.000 0.960 142 E HN 0.377 nan 8.360 nan 0.000 0.479 143 Q N 3.292 123.072 119.800 -0.033 0.000 2.137 143 Q HA -0.038 4.302 4.340 -0.000 0.000 0.198 143 Q C 0.186 176.159 176.000 -0.044 0.000 0.960 143 Q CA 0.882 56.670 55.803 -0.026 0.000 0.847 143 Q CB 0.322 29.052 28.738 -0.013 0.000 0.915 143 Q HN 0.339 nan 8.270 nan 0.000 0.448 144 R N 0.962 121.422 120.500 -0.066 0.000 2.545 144 R HA 0.341 4.681 4.340 -0.000 0.000 0.289 144 R C -2.724 173.499 176.300 -0.130 0.000 1.327 144 R CA -1.915 54.131 56.100 -0.089 0.000 1.040 144 R CB 1.698 31.947 30.300 -0.086 0.000 1.176 144 R HN 0.047 nan 8.270 nan 0.000 0.518 145 P HA 0.286 nan 4.420 nan 0.000 0.281 145 P C -0.874 176.306 177.300 -0.200 0.000 1.252 145 P CA -0.388 62.624 63.100 -0.148 0.000 0.778 145 P CB 1.165 32.794 31.700 -0.119 0.000 0.895 146 R N 1.521 121.848 120.500 -0.289 0.000 2.885 146 R HA 0.538 4.878 4.340 -0.000 0.000 0.260 146 R C -0.411 175.678 176.300 -0.352 0.000 1.107 146 R CA -0.825 54.967 56.100 -0.514 0.000 0.978 146 R CB 0.569 30.168 30.300 -1.168 0.000 1.227 146 R HN 0.219 nan 8.270 nan 0.000 0.473 147 F N 0.022 119.916 119.950 -0.093 0.000 3.069 147 F HA -0.265 4.262 4.527 -0.000 0.000 0.285 147 F C 0.973 176.551 175.800 -0.370 0.000 0.827 147 F CA 1.351 59.263 58.000 -0.147 0.000 1.108 147 F CB -2.433 36.522 39.000 -0.074 0.000 1.252 147 F HN 0.998 nan 8.300 nan 0.000 0.483 148 G N -0.076 108.401 108.800 -0.539 0.000 2.574 148 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.286 148 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.286 148 G C 0.952 175.635 174.900 -0.362 0.000 1.212 148 G CA 1.401 46.047 45.100 -0.756 0.000 0.979 148 G HN 1.511 nan 8.290 nan 0.000 0.557 149 V N -1.294 118.384 119.914 -0.392 0.000 2.546 149 V HA -0.202 3.918 4.120 -0.000 0.000 0.254 149 V C 2.811 178.922 176.094 0.029 0.000 1.076 149 V CA 3.093 65.331 62.300 -0.103 0.000 1.087 149 V CB -0.734 31.099 31.823 0.017 0.000 0.674 149 V HN 0.631 nan 8.190 nan 0.000 0.470 150 M N 0.299 119.905 119.600 0.011 0.000 2.067 150 M HA -0.037 4.443 4.480 -0.000 0.000 0.260 150 M C 1.756 178.076 176.300 0.034 0.000 1.069 150 M CA 1.703 57.034 55.300 0.051 0.000 1.117 150 M CB -0.677 31.983 32.600 0.100 0.000 1.334 150 M HN 0.458 nan 8.290 nan 0.000 0.407 151 R N 0.910 121.432 120.500 0.036 0.000 2.547 151 R HA 0.453 4.793 4.340 -0.000 0.000 0.280 151 R C -0.541 175.716 176.300 -0.071 0.000 1.630 151 R CA -0.224 55.851 56.100 -0.042 0.000 1.470 151 R CB 0.443 30.735 30.300 -0.013 0.000 1.178 151 R HN 0.251 nan 8.270 nan 0.000 0.591 152 G N 0.722 109.476 108.800 -0.076 0.000 2.887 152 G HA2 0.313 4.273 3.960 -0.000 0.000 0.277 152 G HA3 0.313 4.273 3.960 -0.000 0.000 0.277 152 G C 0.045 174.875 174.900 -0.117 0.000 1.346 152 G CA -0.555 44.545 45.100 0.000 0.000 1.058 152 G HN 0.436 nan 8.290 nan 0.000 0.535 153 R N -1.054 119.363 120.500 -0.138 0.000 2.164 153 R HA 0.190 4.530 4.340 -0.000 0.000 0.198 153 R C 0.437 176.472 176.300 -0.440 0.000 1.028 153 R CA 0.033 55.835 56.100 -0.497 0.000 1.083 153 R CB 0.434 30.309 30.300 -0.708 0.000 1.026 153 R HN 0.554 nan 8.270 nan 0.000 0.514 154 E N 1.166 121.368 120.200 0.004 0.000 2.134 154 E HA 0.253 4.603 4.350 -0.000 0.000 0.278 154 E C -1.297 175.694 176.600 0.652 0.000 0.959 154 E CA -0.460 56.124 56.400 0.306 0.000 0.783 154 E CB 0.721 30.563 29.700 0.236 0.000 1.095 154 E HN -0.013 nan 8.360 nan 0.000 0.399 155 F N 2.280 122.546 119.950 0.527 0.000 2.645 155 F HA 0.523 5.050 4.527 -0.000 0.000 0.310 155 F C -1.949 174.046 175.800 0.324 0.000 1.102 155 F CA -1.524 56.805 58.000 0.548 0.000 0.952 155 F CB 0.776 39.938 39.000 0.270 0.000 1.326 155 F HN 0.249 nan 8.300 nan 0.000 0.456 156 L N 3.561 124.691 121.223 -0.154 0.000 2.289 156 L HA 0.654 4.994 4.340 -0.000 0.000 0.285 156 L C -0.948 175.708 176.870 -0.357 0.000 1.049 156 L CA -0.607 53.744 54.840 -0.816 0.000 0.804 156 L CB 1.453 42.728 42.059 -1.307 0.000 1.195 156 L HN 0.897 nan 8.230 nan 0.000 0.428 157 M N 4.543 123.906 119.600 -0.394 0.000 2.446 157 M HA 0.350 4.830 4.480 -0.000 0.000 0.294 157 M C -1.208 174.971 176.300 -0.202 0.000 1.158 157 M CA -0.854 54.337 55.300 -0.181 0.000 0.899 157 M CB 1.833 34.388 32.600 -0.076 0.000 1.687 157 M HN 0.491 nan 8.290 nan 0.000 0.455 158 K N 4.361 124.697 120.400 -0.107 0.000 2.267 158 K HA 0.206 4.526 4.320 -0.000 0.000 0.282 158 K C -1.639 174.978 176.600 0.029 0.000 1.078 158 K CA -0.051 56.214 56.287 -0.037 0.000 0.903 158 K CB 0.360 32.820 32.500 -0.068 0.000 1.111 158 K HN 0.731 nan 8.250 nan 0.000 0.475 159 D N 3.176 123.631 120.400 0.091 0.000 2.408 159 D HA 0.450 5.090 4.640 -0.000 0.000 0.243 159 D C -0.760 175.458 176.300 -0.137 0.000 1.075 159 D CA -0.685 53.312 54.000 -0.005 0.000 0.832 159 D CB 1.692 42.511 40.800 0.032 0.000 1.162 159 D HN 0.400 nan 8.370 nan 0.000 0.515 160 A N 1.954 124.608 122.820 -0.276 0.000 2.313 160 A HA 0.770 5.090 4.320 -0.000 0.000 0.323 160 A C -1.611 175.700 177.584 -0.454 0.000 1.133 160 A CA -0.754 51.203 52.037 -0.134 0.000 0.847 160 A CB 1.165 20.234 19.000 0.115 0.000 1.308 160 A HN 0.530 nan 8.150 nan 0.000 0.475 161 Y N -0.229 120.268 120.300 0.329 0.000 2.399 161 Y HA 0.456 5.006 4.550 -0.000 0.000 0.327 161 Y C 0.285 176.292 175.900 0.178 0.000 1.111 161 Y CA -0.634 57.563 58.100 0.162 0.000 1.047 161 Y CB 2.055 40.599 38.460 0.140 0.000 1.259 161 Y HN 0.777 nan 8.280 nan 0.000 0.434 162 S N 1.697 117.490 115.700 0.155 0.000 2.608 162 S HA 0.861 5.331 4.470 -0.000 0.000 0.291 162 S C -1.189 173.264 174.600 -0.245 0.000 1.146 162 S CA -0.663 57.622 58.200 0.142 0.000 1.043 162 S CB 1.243 64.597 63.200 0.257 0.000 1.037 162 S HN 0.399 nan 8.310 nan 0.000 0.520 163 F N 0.760 120.730 119.950 0.033 0.000 2.771 163 F HA 0.418 4.945 4.527 -0.000 0.000 0.365 163 F C -0.749 175.067 175.800 0.028 0.000 1.169 163 F CA -0.622 57.313 58.000 -0.109 0.000 1.093 163 F CB 1.461 40.202 39.000 -0.432 0.000 1.363 163 F HN 0.521 nan 8.300 nan 0.000 0.496 164 D N 0.686 121.206 120.400 0.200 0.000 2.374 164 D HA 0.436 5.075 4.640 -0.000 0.000 0.239 164 D C 0.988 177.441 176.300 0.254 0.000 0.991 164 D CA -0.601 53.529 54.000 0.217 0.000 0.960 164 D CB 2.089 42.985 40.800 0.159 0.000 1.284 164 D HN 0.139 nan 8.370 nan 0.000 0.512 165 V N -0.834 119.223 119.914 0.239 0.000 2.427 165 V HA -0.034 4.085 4.120 -0.000 0.000 0.248 165 V C 0.835 177.075 176.094 0.243 0.000 1.051 165 V CA 1.556 64.001 62.300 0.242 0.000 1.048 165 V CB -1.027 30.914 31.823 0.197 0.000 0.666 165 V HN 0.716 nan 8.190 nan 0.000 0.456 166 D N -1.537 118.957 120.400 0.156 0.000 2.812 166 D HA 0.153 4.793 4.640 -0.000 0.000 0.318 166 D C 0.801 176.908 176.300 -0.322 0.000 1.234 166 D CA -0.439 53.560 54.000 -0.002 0.000 0.989 166 D CB 2.259 43.041 40.800 -0.031 0.000 1.442 166 D HN -0.008 nan 8.370 nan 0.000 0.537 167 E N -0.028 119.812 120.200 -0.601 0.000 2.001 167 E HA -0.124 4.226 4.350 -0.000 0.000 0.193 167 E C 2.145 178.568 176.600 -0.295 0.000 0.994 167 E CA 1.426 57.514 56.400 -0.520 0.000 0.815 167 E CB -0.404 29.073 29.700 -0.371 0.000 0.770 167 E HN 0.510 nan 8.360 nan 0.000 0.453 168 A N 0.974 123.676 122.820 -0.196 0.000 1.971 168 A HA -0.248 4.072 4.320 -0.000 0.000 0.222 168 A C 2.283 179.802 177.584 -0.108 0.000 1.182 168 A CA 2.274 54.229 52.037 -0.137 0.000 0.649 168 A CB -1.574 17.374 19.000 -0.086 0.000 0.818 168 A HN 0.502 nan 8.150 nan 0.000 0.458 169 G N -0.676 108.080 108.800 -0.074 0.000 2.639 169 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.216 169 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.216 169 G C 1.834 176.712 174.900 -0.037 0.000 1.267 169 G CA 1.930 47.020 45.100 -0.017 0.000 0.801 169 G HN 1.073 nan 8.290 nan 0.000 0.592 170 A N 0.372 123.155 122.820 -0.061 0.000 1.986 170 A HA -0.110 4.210 4.320 -0.000 0.000 0.220 170 A C 2.413 179.899 177.584 -0.163 0.000 1.171 170 A CA 1.825 53.821 52.037 -0.068 0.000 0.640 170 A CB -0.429 18.557 19.000 -0.024 0.000 0.811 170 A HN 0.410 nan 8.150 nan 0.000 0.451 171 R N -0.552 119.769 120.500 -0.298 0.000 2.152 171 R HA -0.110 4.230 4.340 -0.000 0.000 0.232 171 R C 1.987 178.257 176.300 -0.050 0.000 1.117 171 R CA 1.446 57.402 56.100 -0.240 0.000 0.981 171 R CB -0.197 29.943 30.300 -0.266 0.000 0.870 171 R HN 0.557 nan 8.270 nan 0.000 0.451 172 K N -0.296 120.088 120.400 -0.026 0.000 2.044 172 K HA 0.031 4.350 4.320 -0.000 0.000 0.204 172 K C 2.209 178.843 176.600 0.056 0.000 1.049 172 K CA 0.948 57.245 56.287 0.017 0.000 0.945 172 K CB 0.006 32.515 32.500 0.014 0.000 0.724 172 K HN -0.041 nan 8.250 nan 0.000 0.440 173 S N 0.531 116.272 115.700 0.068 0.000 2.400 173 S HA -0.177 4.293 4.470 -0.000 0.000 0.232 173 S C 1.645 176.280 174.600 0.059 0.000 1.025 173 S CA 1.135 59.379 58.200 0.073 0.000 0.993 173 S CB -0.319 62.950 63.200 0.115 0.000 0.808 173 S HN 0.302 nan 8.310 nan 0.000 0.478 174 Y N 2.991 123.306 120.300 0.024 0.000 2.049 174 Y HA -0.242 4.308 4.550 -0.000 0.000 0.277 174 Y C 2.015 177.911 175.900 -0.007 0.000 1.143 174 Y CA 2.143 60.289 58.100 0.078 0.000 1.115 174 Y CB -0.787 37.730 38.460 0.095 0.000 0.975 174 Y HN 0.365 nan 8.280 nan 0.000 0.487 175 N N 0.034 118.860 118.700 0.210 0.000 2.094 175 N HA -0.245 4.495 4.740 -0.000 0.000 0.191 175 N C 1.735 177.263 175.510 0.030 0.000 1.023 175 N CA 1.437 54.535 53.050 0.079 0.000 0.857 175 N CB -0.305 38.184 38.487 0.004 0.000 1.013 175 N HN 0.386 nan 8.380 nan 0.000 0.426 176 K N 0.541 120.965 120.400 0.040 0.000 2.015 176 K HA -0.161 4.159 4.320 -0.000 0.000 0.216 176 K C 2.184 178.810 176.600 0.043 0.000 1.052 176 K CA 1.516 57.893 56.287 0.151 0.000 0.937 176 K CB -0.104 32.445 32.500 0.081 0.000 0.719 176 K HN 0.159 nan 8.250 nan 0.000 0.446 177 M N -0.280 119.158 119.600 -0.270 0.000 2.117 177 M HA -0.153 4.327 4.480 -0.000 0.000 0.262 177 M C 2.120 178.194 176.300 -0.377 0.000 1.065 177 M CA 1.442 56.436 55.300 -0.510 0.000 1.114 177 M CB -0.864 30.996 32.600 -1.234 0.000 1.361 177 M HN 0.172 nan 8.290 nan 0.000 0.408 178 F N 0.801 120.479 119.950 -0.453 0.000 2.065 178 F HA -0.261 4.266 4.527 -0.000 0.000 0.298 178 F C 2.157 177.870 175.800 -0.145 0.000 1.112 178 F CA 1.535 59.367 58.000 -0.279 0.000 1.212 178 F CB -0.017 38.858 39.000 -0.208 0.000 0.975 178 F HN -0.115 nan 8.300 nan 0.000 0.476 179 V N 0.552 120.626 119.914 0.266 0.000 2.295 179 V HA -0.319 3.800 4.120 -0.000 0.000 0.246 179 V C 2.688 178.835 176.094 0.088 0.000 1.049 179 V CA 1.771 64.152 62.300 0.135 0.000 1.024 179 V CB -1.674 30.121 31.823 -0.048 0.000 0.648 179 V HN 0.495 nan 8.190 nan 0.000 0.447 180 A N -1.257 121.651 122.820 0.147 0.000 2.019 180 A HA -0.207 4.113 4.320 -0.000 0.000 0.219 180 A C 2.090 179.605 177.584 -0.116 0.000 1.164 180 A CA 1.668 53.741 52.037 0.059 0.000 0.644 180 A CB -0.671 18.296 19.000 -0.054 0.000 0.805 180 A HN 0.554 nan 8.150 nan 0.000 0.449 181 Y N -0.210 119.811 120.300 -0.466 0.000 2.220 181 Y HA -0.040 4.510 4.550 -0.000 0.000 0.291 181 Y C 2.165 177.678 175.900 -0.645 0.000 1.129 181 Y CA 0.811 58.425 58.100 -0.811 0.000 1.161 181 Y CB -0.579 37.142 38.460 -1.232 0.000 0.997 181 Y HN 0.194 nan 8.280 nan 0.000 0.522 182 L N -0.595 120.505 121.223 -0.204 0.000 2.042 182 L HA -0.295 4.045 4.340 -0.000 0.000 0.210 182 L C 2.510 179.316 176.870 -0.108 0.000 1.076 182 L CA 1.558 56.319 54.840 -0.132 0.000 0.749 182 L CB -0.406 41.531 42.059 -0.203 0.000 0.893 182 L HN 0.153 nan 8.230 nan 0.000 0.432 183 R N -1.018 119.409 120.500 -0.122 0.000 2.062 183 R HA -0.099 4.241 4.340 -0.000 0.000 0.229 183 R C 2.277 178.476 176.300 -0.169 0.000 1.128 183 R CA 1.754 57.798 56.100 -0.094 0.000 0.960 183 R CB -0.677 29.590 30.300 -0.054 0.000 0.855 183 R HN 0.328 nan 8.270 nan 0.000 0.432 184 T N 1.296 115.641 114.554 -0.349 0.000 2.597 184 T HA -0.180 4.170 4.350 -0.000 0.000 0.267 184 T C 1.532 175.979 174.700 -0.423 0.000 1.053 184 T CA 1.765 63.555 62.100 -0.517 0.000 1.165 184 T CB -0.368 67.926 68.868 -0.957 0.000 0.863 184 T HN 0.085 nan 8.240 nan 0.000 0.427 185 F N 1.569 121.410 119.950 -0.181 0.000 2.234 185 F HA 0.166 4.693 4.527 -0.000 0.000 0.299 185 F C 2.613 178.389 175.800 -0.039 0.000 1.087 185 F CA 0.150 58.085 58.000 -0.107 0.000 1.340 185 F CB -1.159 37.785 39.000 -0.093 0.000 1.031 185 F HN 0.155 nan 8.300 nan 0.000 0.500 186 A N 0.218 123.102 122.820 0.106 0.000 1.930 186 A HA -0.135 4.185 4.320 -0.000 0.000 0.217 186 A C 2.282 179.902 177.584 0.059 0.000 1.175 186 A CA 1.032 53.126 52.037 0.095 0.000 0.627 186 A CB -0.583 18.466 19.000 0.081 0.000 0.815 186 A HN 0.284 nan 8.150 nan 0.000 0.443 187 R N -1.129 119.377 120.500 0.010 0.000 2.285 187 R HA 0.091 4.431 4.340 -0.000 0.000 0.213 187 R C 0.725 177.037 176.300 0.019 0.000 1.068 187 R CA 0.944 57.044 56.100 0.000 0.000 1.004 187 R CB -0.222 30.050 30.300 -0.046 0.000 0.873 187 R HN 0.516 nan 8.270 nan 0.000 0.467 188 M N -0.192 119.436 119.600 0.046 0.000 2.655 188 M HA 0.202 4.682 4.480 -0.000 0.000 0.311 188 M C 0.336 176.701 176.300 0.109 0.000 1.229 188 M CA -0.181 55.165 55.300 0.077 0.000 0.972 188 M CB 1.389 34.048 32.600 0.098 0.000 1.366 188 M HN 0.144 nan 8.290 nan 0.000 0.500 189 G N 2.203 111.061 108.800 0.096 0.000 2.357 189 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.282 189 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.282 189 G C -0.555 174.408 174.900 0.105 0.000 0.910 189 G CA 0.316 45.475 45.100 0.098 0.000 1.267 189 G HN 0.515 nan 8.290 nan 0.000 0.476 190 L N -0.433 120.863 121.223 0.122 0.000 2.438 190 L HA 0.421 4.761 4.340 -0.000 0.000 0.270 190 L C 0.270 177.218 176.870 0.129 0.000 0.972 190 L CA -0.976 53.929 54.840 0.110 0.000 0.831 190 L CB 2.124 44.240 42.059 0.096 0.000 1.273 190 L HN 0.053 nan 8.230 nan 0.000 0.405 191 K N 2.991 123.460 120.400 0.115 0.000 2.171 191 K HA 0.476 4.796 4.320 -0.000 0.000 0.274 191 K C -0.071 176.608 176.600 0.131 0.000 1.110 191 K CA -0.189 56.191 56.287 0.156 0.000 0.952 191 K CB 0.845 33.437 32.500 0.153 0.000 1.309 191 K HN 0.611 nan 8.250 nan 0.000 0.414 192 A N 4.417 127.322 122.820 0.142 0.000 2.289 192 A HA 0.373 4.693 4.320 -0.000 0.000 0.298 192 A C -0.254 177.438 177.584 0.180 0.000 1.208 192 A CA -0.672 51.410 52.037 0.074 0.000 0.845 192 A CB 0.273 19.217 19.000 -0.094 0.000 1.125 192 A HN 0.497 nan 8.150 nan 0.000 0.517 193 I N 4.664 125.301 120.570 0.111 0.000 2.336 193 I HA 0.340 4.510 4.170 -0.000 0.000 0.292 193 I C -2.163 173.906 176.117 -0.081 0.000 0.991 193 I CA -2.833 58.552 61.300 0.141 0.000 1.227 193 I CB 1.421 39.513 38.000 0.152 0.000 1.366 193 I HN 0.419 nan 8.210 nan 0.000 0.466 194 P HA 0.303 nan 4.420 nan 0.000 0.276 194 P C -0.887 176.350 177.300 -0.106 0.000 1.235 194 P CA -0.296 62.488 63.100 -0.527 0.000 0.772 194 P CB 1.098 32.546 31.700 -0.420 0.000 0.871 195 M N 2.272 121.803 119.600 -0.114 0.000 2.446 195 M HA 0.347 4.827 4.480 -0.000 0.000 0.294 195 M C 0.072 176.310 176.300 -0.103 0.000 1.158 195 M CA -1.075 54.197 55.300 -0.047 0.000 0.899 195 M CB 2.897 35.459 32.600 -0.063 0.000 1.687 195 M HN 0.123 nan 8.290 nan 0.000 0.455 196 R N 1.728 122.136 120.500 -0.154 0.000 2.623 196 R HA 0.677 5.017 4.340 -0.000 0.000 0.271 196 R C -1.122 175.069 176.300 -0.183 0.000 1.043 196 R CA 0.438 56.370 56.100 -0.280 0.000 1.083 196 R CB 0.465 30.637 30.300 -0.214 0.000 0.974 196 R HN 0.755 nan 8.270 nan 0.000 0.436 197 A N 2.547 125.251 122.820 -0.194 0.000 2.552 197 A HA 0.563 4.882 4.320 -0.000 0.000 0.288 197 A C -1.399 176.149 177.584 -0.060 0.000 1.193 197 A CA -0.664 51.308 52.037 -0.109 0.000 0.713 197 A CB 1.313 20.238 19.000 -0.125 0.000 1.305 197 A HN 0.689 nan 8.150 nan 0.000 0.424 198 E N -0.755 119.445 120.200 0.000 0.000 2.199 198 E HA 0.456 4.806 4.350 -0.000 0.000 0.269 198 E C 0.663 177.349 176.600 0.143 0.000 0.899 198 E CA 0.121 56.554 56.400 0.056 0.000 0.772 198 E CB 1.516 31.250 29.700 0.058 0.000 1.155 198 E HN 0.715 nan 8.360 nan 0.000 0.408 199 T N 0.995 115.667 114.554 0.196 0.000 3.067 199 T HA 0.233 4.583 4.350 -0.000 0.000 0.261 199 T C 1.246 176.137 174.700 0.318 0.000 1.110 199 T CA 0.438 62.773 62.100 0.393 0.000 1.113 199 T CB -0.135 68.964 68.868 0.385 0.000 0.917 199 T HN 0.756 nan 8.240 nan 0.000 0.499 200 G N 2.957 111.859 108.800 0.169 0.000 2.574 200 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.286 200 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.286 200 G C -1.727 173.180 174.900 0.011 0.000 1.212 200 G CA 0.056 45.205 45.100 0.083 0.000 0.979 200 G HN 0.516 nan 8.290 nan 0.000 0.557 201 P HA 0.368 nan 4.420 nan 0.000 0.253 201 P C 0.952 178.199 177.300 -0.089 0.000 1.459 201 P CA 0.277 63.279 63.100 -0.163 0.000 0.908 201 P CB -0.150 31.284 31.700 -0.444 0.000 1.470 202 I N -1.360 119.191 120.570 -0.031 0.000 4.057 202 I HA 0.270 4.440 4.170 -0.000 0.000 0.334 202 I C 1.066 177.212 176.117 0.048 0.000 1.308 202 I CA 0.425 61.699 61.300 -0.043 0.000 1.125 202 I CB -0.005 37.776 38.000 -0.365 0.000 1.034 202 I HN 0.062 nan 8.210 nan 0.000 0.401 203 G N 0.897 109.731 108.800 0.057 0.000 2.846 203 G HA2 0.247 4.207 3.960 -0.000 0.000 0.660 203 G HA3 0.247 4.207 3.960 -0.000 0.000 0.660 203 G C 0.094 175.116 174.900 0.202 0.000 1.464 203 G CA -0.542 44.592 45.100 0.056 0.000 0.891 203 G HN 1.012 nan 8.290 nan 0.000 0.552 204 G N -0.956 107.917 108.800 0.121 0.000 2.663 204 G HA2 0.337 4.297 3.960 -0.000 0.000 0.686 204 G HA3 0.337 4.297 3.960 -0.000 0.000 0.686 204 G C -0.152 174.810 174.900 0.104 0.000 1.246 204 G CA 0.639 45.806 45.100 0.111 0.000 0.795 204 G HN 1.329 nan 8.290 nan 0.000 0.627 205 D N -0.725 119.725 120.400 0.083 0.000 2.407 205 D HA 0.202 4.842 4.640 -0.000 0.000 0.208 205 D C 0.977 177.315 176.300 0.065 0.000 1.083 205 D CA 0.197 54.239 54.000 0.070 0.000 0.844 205 D CB 0.371 41.202 40.800 0.052 0.000 0.967 205 D HN 0.361 nan 8.370 nan 0.000 0.506 206 L N 0.522 121.807 121.223 0.104 0.000 2.296 206 L HA 0.534 4.874 4.340 -0.000 0.000 0.286 206 L C -0.889 176.072 176.870 0.151 0.000 1.023 206 L CA -0.238 54.641 54.840 0.065 0.000 0.812 206 L CB 1.398 43.438 42.059 -0.032 0.000 1.223 206 L HN -0.188 nan 8.230 nan 0.000 0.421 207 S N 2.247 117.998 115.700 0.085 0.000 2.560 207 S HA 0.483 4.953 4.470 -0.000 0.000 0.283 207 S C -1.705 172.830 174.600 -0.108 0.000 1.141 207 S CA -0.610 57.603 58.200 0.022 0.000 0.902 207 S CB 0.913 63.976 63.200 -0.228 0.000 1.104 207 S HN 0.737 nan 8.310 nan 0.000 0.454 208 H N 1.923 120.974 119.070 -0.031 0.000 2.600 208 H HA 0.452 5.008 4.556 -0.000 0.000 0.357 208 H C -0.278 174.946 175.328 -0.173 0.000 1.106 208 H CA -0.741 55.239 56.048 -0.113 0.000 1.193 208 H CB 1.420 31.082 29.762 -0.167 0.000 1.594 208 H HN 0.675 nan 8.280 nan 0.000 0.526 209 E N 2.789 122.945 120.200 -0.073 0.000 2.248 209 E HA 0.316 4.666 4.350 -0.000 0.000 0.272 209 E C -1.048 175.489 176.600 -0.104 0.000 1.008 209 E CA -0.676 55.726 56.400 0.003 0.000 0.856 209 E CB 1.601 31.311 29.700 0.018 0.000 1.120 209 E HN 0.293 nan 8.360 nan 0.000 0.397 210 F N 1.549 121.490 119.950 -0.015 0.000 2.404 210 F HA 0.443 4.970 4.527 -0.000 0.000 0.354 210 F C 0.006 175.713 175.800 -0.154 0.000 1.122 210 F CA -0.657 57.297 58.000 -0.077 0.000 1.080 210 F CB 1.105 40.091 39.000 -0.024 0.000 1.131 210 F HN 0.263 nan 8.300 nan 0.000 0.471 211 I N 4.267 124.819 120.570 -0.030 0.000 2.499 211 I HA 0.358 4.528 4.170 -0.000 0.000 0.288 211 I C -1.093 174.989 176.117 -0.058 0.000 1.048 211 I CA -1.039 60.227 61.300 -0.056 0.000 1.062 211 I CB 2.072 40.049 38.000 -0.038 0.000 1.238 211 I HN 0.125 nan 8.210 nan 0.000 0.426 212 V N 6.402 126.266 119.914 -0.083 0.000 2.439 212 V HA 0.293 4.413 4.120 -0.000 0.000 0.282 212 V C 0.222 176.294 176.094 -0.037 0.000 1.039 212 V CA -0.701 61.565 62.300 -0.056 0.000 0.913 212 V CB 1.304 33.083 31.823 -0.073 0.000 0.983 212 V HN 0.380 nan 8.190 nan 0.000 0.460 213 L N 4.263 125.476 121.223 -0.017 0.000 2.461 213 L HA 0.565 4.905 4.340 -0.000 0.000 0.272 213 L C 0.550 177.404 176.870 -0.028 0.000 1.197 213 L CA 1.260 56.087 54.840 -0.023 0.000 0.836 213 L CB 0.439 42.493 42.059 -0.008 0.000 1.105 213 L HN 0.945 nan 8.230 nan 0.000 0.477 214 A N 1.976 124.771 122.820 -0.041 0.000 2.535 214 A HA 0.669 4.989 4.320 -0.000 0.000 0.296 214 A C 0.046 177.601 177.584 -0.048 0.000 1.248 214 A CA -0.412 51.599 52.037 -0.044 0.000 0.686 214 A CB 1.022 19.983 19.000 -0.065 0.000 1.315 214 A HN 0.655 nan 8.150 nan 0.000 0.460 215 E N -0.212 119.957 120.200 -0.051 0.000 2.714 215 E HA 0.179 4.529 4.350 -0.000 0.000 0.219 215 E C -0.727 175.820 176.600 -0.088 0.000 0.979 215 E CA 0.567 56.932 56.400 -0.058 0.000 1.092 215 E CB 0.851 30.531 29.700 -0.034 0.000 1.049 215 E HN 0.689 nan 8.360 nan 0.000 0.487 216 T N -2.052 112.429 114.554 -0.122 0.000 3.186 216 T HA 0.592 4.942 4.350 -0.000 0.000 0.320 216 T C -0.258 174.331 174.700 -0.186 0.000 0.955 216 T CA -0.752 61.236 62.100 -0.187 0.000 1.030 216 T CB 1.368 70.054 68.868 -0.305 0.000 1.013 216 T HN 0.034 nan 8.240 nan 0.000 0.454 217 G N 1.748 110.463 108.800 -0.141 0.000 2.530 217 G HA2 0.489 4.449 3.960 -0.000 0.000 0.316 217 G HA3 0.489 4.449 3.960 -0.000 0.000 0.316 217 G C 0.275 175.136 174.900 -0.066 0.000 1.298 217 G CA -0.804 44.235 45.100 -0.102 0.000 0.948 217 G HN 0.777 nan 8.290 nan 0.000 0.486 218 E N 0.809 120.990 120.200 -0.031 0.000 2.204 218 E HA -0.052 4.298 4.350 -0.000 0.000 0.195 218 E C 1.170 177.781 176.600 0.018 0.000 0.990 218 E CA 1.101 57.520 56.400 0.032 0.000 0.821 218 E CB 0.179 29.913 29.700 0.058 0.000 0.750 218 E HN 0.493 nan 8.360 nan 0.000 0.477 219 S N -1.185 114.511 115.700 -0.007 0.000 2.526 219 S HA 0.736 5.206 4.470 -0.000 0.000 0.293 219 S C -0.061 174.513 174.600 -0.043 0.000 1.092 219 S CA -0.656 57.539 58.200 -0.009 0.000 0.980 219 S CB 1.992 65.192 63.200 0.001 0.000 1.048 219 S HN 0.147 nan 8.310 nan 0.000 0.483 220 G N 0.599 109.368 108.800 -0.052 0.000 2.388 220 G HA2 0.669 4.629 3.960 -0.000 0.000 0.330 220 G HA3 0.669 4.629 3.960 -0.000 0.000 0.330 220 G C -0.447 174.351 174.900 -0.169 0.000 1.142 220 G CA -0.736 44.284 45.100 -0.134 0.000 0.908 220 G HN 1.530 nan 8.290 nan 0.000 0.473 221 V N -0.161 119.575 119.914 -0.297 0.000 3.001 221 V HA 0.817 4.937 4.120 -0.000 0.000 0.314 221 V C -1.565 174.264 176.094 -0.442 0.000 1.099 221 V CA -1.538 60.631 62.300 -0.218 0.000 0.989 221 V CB 1.696 33.460 31.823 -0.098 0.000 1.040 221 V HN 0.678 nan 8.190 nan 0.000 0.434 222 Y N 4.337 124.510 120.300 -0.211 0.000 2.349 222 Y HA 0.765 5.315 4.550 -0.000 0.000 0.324 222 Y C 0.047 176.003 175.900 0.094 0.000 1.005 222 Y CA -0.680 57.280 58.100 -0.233 0.000 1.240 222 Y CB 1.706 39.665 38.460 -0.836 0.000 1.117 222 Y HN 0.913 nan 8.280 nan 0.000 0.463 223 I N -1.277 119.464 120.570 0.284 0.000 2.957 223 I HA 0.655 4.825 4.170 -0.000 0.000 0.310 223 I C -0.931 175.397 176.117 0.352 0.000 1.063 223 I CA -0.990 60.517 61.300 0.345 0.000 1.033 223 I CB 2.290 40.398 38.000 0.181 0.000 1.230 223 I HN 0.325 nan 8.210 nan 0.000 0.447 224 D N 3.379 123.966 120.400 0.311 0.000 2.277 224 D HA 0.231 4.871 4.640 -0.000 0.000 0.249 224 D C 0.937 177.303 176.300 0.109 0.000 1.134 224 D CA -0.233 53.874 54.000 0.179 0.000 0.863 224 D CB 1.490 42.384 40.800 0.157 0.000 1.143 224 D HN 0.576 nan 8.370 nan 0.000 0.458 225 R N 2.804 123.346 120.500 0.071 0.000 2.153 225 R HA -0.174 4.166 4.340 -0.000 0.000 0.252 225 R C 0.981 177.294 176.300 0.022 0.000 1.158 225 R CA 1.254 57.379 56.100 0.042 0.000 0.975 225 R CB -0.145 30.171 30.300 0.025 0.000 0.871 225 R HN 0.624 nan 8.270 nan 0.000 0.450 226 D N 0.450 120.856 120.400 0.010 0.000 2.182 226 D HA -0.122 4.518 4.640 -0.000 0.000 0.201 226 D C 1.629 177.892 176.300 -0.062 0.000 0.986 226 D CA 0.709 54.695 54.000 -0.023 0.000 0.847 226 D CB -0.179 40.605 40.800 -0.027 0.000 0.942 226 D HN 0.007 nan 8.370 nan 0.000 0.467 227 V N 0.892 120.779 119.914 -0.046 0.000 3.244 227 V HA -0.182 3.938 4.120 -0.000 0.000 0.273 227 V C 1.775 177.807 176.094 -0.104 0.000 1.180 227 V CA 0.959 63.198 62.300 -0.102 0.000 1.182 227 V CB -0.437 31.393 31.823 0.012 0.000 0.796 227 V HN 0.194 nan 8.190 nan 0.000 0.543 228 L N -0.804 120.391 121.223 -0.046 0.000 2.638 228 L HA 0.236 4.575 4.340 -0.000 0.000 0.232 228 L C 1.614 178.485 176.870 0.001 0.000 1.099 228 L CA 0.175 55.023 54.840 0.012 0.000 0.883 228 L CB -0.088 41.991 42.059 0.034 0.000 1.136 228 L HN 0.273 nan 8.230 nan 0.000 0.492 229 N N -0.268 118.401 118.700 -0.051 0.000 2.325 229 N HA 0.155 4.895 4.740 -0.000 0.000 0.182 229 N C 0.356 175.820 175.510 -0.077 0.000 1.088 229 N CA 0.085 53.111 53.050 -0.040 0.000 0.879 229 N CB 0.211 38.674 38.487 -0.039 0.000 0.983 229 N HN 0.110 nan 8.380 nan 0.000 0.471 230 L N 3.046 124.142 121.223 -0.211 0.000 2.601 230 L HA 0.045 4.385 4.340 -0.000 0.000 0.277 230 L C -1.626 175.224 176.870 -0.034 0.000 1.219 230 L CA -0.965 53.669 54.840 -0.343 0.000 0.915 230 L CB -0.440 40.973 42.059 -1.078 0.000 1.160 230 L HN -0.031 nan 8.230 nan 0.000 0.494 231 P HA 0.100 nan 4.420 nan 0.000 0.270 231 P C -0.597 176.945 177.300 0.402 0.000 1.223 231 P CA -0.252 62.957 63.100 0.182 0.000 0.785 231 P CB 0.866 32.635 31.700 0.115 0.000 0.923 232 V N 2.487 122.589 119.914 0.313 0.000 2.630 232 V HA 0.380 4.500 4.120 -0.000 0.000 0.305 232 V C -2.051 174.137 176.094 0.156 0.000 1.046 232 V CA -1.818 60.649 62.300 0.279 0.000 0.934 232 V CB 0.855 32.792 31.823 0.190 0.000 1.003 232 V HN 0.546 nan 8.190 nan 0.000 0.451 233 P HA 0.247 nan 4.420 nan 0.000 0.275 233 P C -0.906 176.406 177.300 0.019 0.000 1.227 233 P CA -0.331 62.790 63.100 0.035 0.000 0.781 233 P CB 0.396 32.077 31.700 -0.032 0.000 0.906 234 D N 1.850 122.259 120.400 0.014 0.000 2.348 234 D HA -0.017 4.623 4.640 -0.000 0.000 0.249 234 D C 1.043 177.350 176.300 0.012 0.000 1.110 234 D CA -0.459 53.551 54.000 0.017 0.000 0.967 234 D CB 1.009 41.821 40.800 0.020 0.000 1.139 234 D HN 0.435 nan 8.370 nan 0.000 0.466 235 E N 1.544 121.757 120.200 0.022 0.000 2.301 235 E HA -0.309 4.041 4.350 -0.000 0.000 0.202 235 E C 0.412 177.037 176.600 0.041 0.000 1.017 235 E CA 1.410 57.831 56.400 0.034 0.000 0.831 235 E CB -0.913 28.801 29.700 0.023 0.000 0.742 235 E HN 0.610 nan 8.360 nan 0.000 0.491 236 N N 0.661 119.374 118.700 0.021 0.000 2.336 236 N HA 0.072 4.812 4.740 -0.000 0.000 0.189 236 N C 0.236 175.745 175.510 -0.002 0.000 1.113 236 N CA -0.020 53.041 53.050 0.017 0.000 0.858 236 N CB 0.857 39.350 38.487 0.010 0.000 0.970 236 N HN -0.023 nan 8.380 nan 0.000 0.471 237 V N 1.706 121.599 119.914 -0.036 0.000 2.752 237 V HA -0.139 3.981 4.120 -0.000 0.000 0.306 237 V C 0.082 176.108 176.094 -0.114 0.000 1.099 237 V CA 0.593 62.815 62.300 -0.129 0.000 1.240 237 V CB 0.604 32.265 31.823 -0.270 0.000 0.887 237 V HN 0.223 nan 8.190 nan 0.000 0.499 238 D N 6.064 126.398 120.400 -0.111 0.000 2.479 238 D HA 0.121 4.761 4.640 -0.000 0.000 0.218 238 D C 0.526 176.794 176.300 -0.053 0.000 1.131 238 D CA -0.192 53.789 54.000 -0.032 0.000 0.916 238 D CB 0.326 41.117 40.800 -0.015 0.000 1.022 238 D HN 0.714 nan 8.370 nan 0.000 0.515 239 Y N 1.286 121.574 120.300 -0.020 0.000 2.465 239 Y HA -0.141 4.409 4.550 -0.000 0.000 0.289 239 Y C 1.811 177.700 175.900 -0.018 0.000 1.150 239 Y CA 0.682 58.766 58.100 -0.026 0.000 1.293 239 Y CB 0.218 38.657 38.460 -0.036 0.000 0.977 239 Y HN 0.344 nan 8.280 nan 0.000 0.556 240 D N -0.535 119.941 120.400 0.127 0.000 2.363 240 D HA 0.047 4.687 4.640 -0.000 0.000 0.226 240 D C 1.094 177.417 176.300 0.038 0.000 1.020 240 D CA 0.498 54.543 54.000 0.074 0.000 0.892 240 D CB -0.138 40.697 40.800 0.060 0.000 0.900 240 D HN 0.321 nan 8.370 nan 0.000 0.531 241 G N -0.595 108.214 108.800 0.016 0.000 2.753 241 G HA2 0.224 4.184 3.960 -0.000 0.000 0.285 241 G HA3 0.224 4.184 3.960 -0.000 0.000 0.285 241 G C -0.881 174.008 174.900 -0.018 0.000 1.344 241 G CA -0.518 44.579 45.100 -0.005 0.000 1.050 241 G HN -0.102 nan 8.290 nan 0.000 0.532 242 D N -0.447 119.938 120.400 -0.024 0.000 2.358 242 D HA 0.149 4.789 4.640 -0.000 0.000 0.258 242 D C 1.163 177.432 176.300 -0.053 0.000 1.223 242 D CA 0.007 53.987 54.000 -0.033 0.000 0.886 242 D CB 0.688 41.471 40.800 -0.028 0.000 1.120 242 D HN 0.131 nan 8.370 nan 0.000 0.482 243 L N 2.833 124.018 121.223 -0.064 0.000 2.616 243 L HA 0.027 4.367 4.340 -0.000 0.000 0.229 243 L C 2.103 178.913 176.870 -0.100 0.000 1.110 243 L CA -0.004 54.779 54.840 -0.094 0.000 0.884 243 L CB -0.172 41.821 42.059 -0.109 0.000 1.115 243 L HN 0.406 nan 8.230 nan 0.000 0.481 244 T N 0.573 115.078 114.554 -0.082 0.000 2.620 244 T HA -0.195 4.155 4.350 -0.000 0.000 0.267 244 T C -0.485 174.172 174.700 -0.071 0.000 1.044 244 T CA 1.695 63.746 62.100 -0.081 0.000 1.161 244 T CB -1.503 67.330 68.868 -0.058 0.000 0.862 244 T HN 0.221 nan 8.240 nan 0.000 0.438 245 P HA -0.032 nan 4.420 nan 0.000 0.216 245 P C 1.457 178.749 177.300 -0.012 0.000 1.150 245 P CA 1.004 64.087 63.100 -0.029 0.000 0.843 245 P CB -0.259 31.427 31.700 -0.023 0.000 0.787 246 I N -1.631 118.928 120.570 -0.019 0.000 2.233 246 I HA -0.169 4.001 4.170 -0.000 0.000 0.243 246 I C 2.123 178.265 176.117 0.040 0.000 1.093 246 I CA 1.004 62.335 61.300 0.052 0.000 1.380 246 I CB -0.661 37.351 38.000 0.020 0.000 1.067 246 I HN -0.143 nan 8.210 nan 0.000 0.413 247 I N 1.223 121.695 120.570 -0.162 0.000 2.127 247 I HA -0.281 3.889 4.170 -0.000 0.000 0.241 247 I C 2.480 178.526 176.117 -0.118 0.000 1.075 247 I CA 1.699 62.789 61.300 -0.350 0.000 1.334 247 I CB -1.315 36.413 38.000 -0.453 0.000 1.040 247 I HN 0.213 nan 8.210 nan 0.000 0.405 248 K N 0.495 120.857 120.400 -0.063 0.000 2.015 248 K HA -0.243 4.077 4.320 -0.000 0.000 0.216 248 K C 2.168 178.783 176.600 0.024 0.000 1.052 248 K CA 1.681 57.960 56.287 -0.013 0.000 0.937 248 K CB -0.276 32.213 32.500 -0.018 0.000 0.719 248 K HN 0.264 nan 8.250 nan 0.000 0.446 249 Q N -1.257 118.563 119.800 0.034 0.000 2.308 249 Q HA -0.182 4.158 4.340 -0.000 0.000 0.209 249 Q C 0.726 176.702 176.000 -0.040 0.000 0.985 249 Q CA 1.308 57.109 55.803 -0.004 0.000 0.881 249 Q CB 0.069 28.812 28.738 0.009 0.000 0.917 249 Q HN 0.460 nan 8.270 nan 0.000 0.443 250 W N -0.741 120.557 121.300 -0.003 0.000 3.102 250 W HA 0.073 4.733 4.660 -0.000 0.000 0.401 250 W C 1.033 177.605 176.519 0.088 0.000 1.070 250 W CA 0.484 57.871 57.345 0.070 0.000 1.921 250 W CB 0.827 30.383 29.460 0.160 0.000 1.118 250 W HN 0.071 nan 8.180 nan 0.000 0.647 251 T N -6.181 108.490 114.554 0.196 0.000 3.029 251 T HA -0.025 4.325 4.350 -0.000 0.000 0.256 251 T C 1.718 176.475 174.700 0.095 0.000 0.914 251 T CA 0.563 62.765 62.100 0.169 0.000 0.880 251 T CB -0.321 68.651 68.868 0.174 0.000 1.246 251 T HN -0.074 nan 8.240 nan 0.000 0.523 252 S N 2.231 117.966 115.700 0.058 0.000 2.469 252 S HA 0.056 4.526 4.470 -0.000 0.000 0.238 252 S C 0.918 175.551 174.600 0.055 0.000 0.998 252 S CA 0.324 58.548 58.200 0.042 0.000 0.957 252 S CB -1.163 62.046 63.200 0.015 0.000 0.764 252 S HN 0.763 nan 8.310 nan 0.000 0.514 253 V N -1.657 118.292 119.914 0.057 0.000 2.617 253 V HA 0.542 4.662 4.120 -0.000 0.000 0.298 253 V C -0.145 176.035 176.094 0.144 0.000 1.048 253 V CA -1.626 60.726 62.300 0.088 0.000 0.964 253 V CB 0.267 32.114 31.823 0.039 0.000 1.004 253 V HN 0.271 nan 8.190 nan 0.000 0.466 254 Y N 3.326 123.688 120.300 0.103 0.000 2.677 254 Y HA 0.451 5.001 4.550 -0.000 0.000 0.335 254 Y C 0.515 176.515 175.900 0.167 0.000 1.162 254 Y CA 0.934 59.130 58.100 0.160 0.000 1.483 254 Y CB -0.072 38.535 38.460 0.246 0.000 1.209 254 Y HN 1.123 nan 8.280 nan 0.000 0.528 255 A N 4.962 127.632 122.820 -0.249 0.000 2.408 255 A HA 0.907 5.227 4.320 -0.000 0.000 0.295 255 A C -1.469 175.948 177.584 -0.278 0.000 1.040 255 A CA -0.043 51.933 52.037 -0.101 0.000 0.707 255 A CB 0.909 19.915 19.000 0.011 0.000 1.235 255 A HN 1.151 nan 8.150 nan 0.000 0.418 256 A N 1.641 124.394 122.820 -0.113 0.000 2.540 256 A HA 0.793 5.113 4.320 -0.000 0.000 0.297 256 A C 0.032 177.642 177.584 0.045 0.000 1.056 256 A CA 0.106 52.102 52.037 -0.069 0.000 0.700 256 A CB 0.545 19.502 19.000 -0.071 0.000 1.280 256 A HN 1.889 nan 8.150 nan 0.000 0.398 257 T N -0.623 113.947 114.554 0.025 0.000 2.726 257 T HA 0.315 4.665 4.350 -0.000 0.000 0.294 257 T C 0.978 175.749 174.700 0.118 0.000 1.013 257 T CA 0.446 62.576 62.100 0.049 0.000 0.996 257 T CB 0.453 69.335 68.868 0.023 0.000 1.016 257 T HN 0.807 nan 8.240 nan 0.000 0.529 258 E N -0.006 120.276 120.200 0.137 0.000 2.347 258 E HA -0.110 4.240 4.350 -0.000 0.000 0.196 258 E C 0.892 177.571 176.600 0.131 0.000 1.008 258 E CA 1.043 57.564 56.400 0.202 0.000 0.852 258 E CB -0.440 29.385 29.700 0.207 0.000 0.783 258 E HN 0.767 nan 8.360 nan 0.000 0.505 259 D N 1.425 121.877 120.400 0.086 0.000 2.144 259 D HA -0.138 4.501 4.640 -0.000 0.000 0.199 259 D C 1.688 178.018 176.300 0.051 0.000 0.984 259 D CA 1.784 55.820 54.000 0.060 0.000 0.834 259 D CB 0.279 41.106 40.800 0.045 0.000 0.955 259 D HN 0.316 nan 8.370 nan 0.000 0.465 260 V N -1.933 118.014 119.914 0.054 0.000 3.078 260 V HA 0.277 4.397 4.120 -0.000 0.000 0.344 260 V C -0.046 176.085 176.094 0.062 0.000 1.409 260 V CA -0.702 61.618 62.300 0.033 0.000 1.146 260 V CB -0.556 31.264 31.823 -0.006 0.000 1.126 260 V HN 0.012 nan 8.190 nan 0.000 0.513 261 H N 1.946 120.992 119.070 -0.040 0.000 2.790 261 H HA 0.552 5.108 4.556 -0.000 0.000 0.358 261 H C -0.292 174.993 175.328 -0.072 0.000 1.103 261 H CA 0.760 56.757 56.048 -0.086 0.000 1.426 261 H CB 1.016 30.609 29.762 -0.281 0.000 1.424 261 H HN 0.422 nan 8.280 nan 0.000 0.599 262 E N 5.925 125.824 120.200 -0.501 0.000 2.621 262 E HA 0.144 4.494 4.350 -0.000 0.000 0.263 262 E C -2.051 174.250 176.600 -0.498 0.000 1.033 262 E CA -1.894 54.273 56.400 -0.388 0.000 0.778 262 E CB 1.590 31.232 29.700 -0.096 0.000 1.426 262 E HN 0.580 nan 8.360 nan 0.000 0.394 263 P HA -0.143 nan 4.420 nan 0.000 0.217 263 P C 1.132 178.367 177.300 -0.108 0.000 1.150 263 P CA 0.994 63.886 63.100 -0.346 0.000 0.832 263 P CB 0.378 31.949 31.700 -0.215 0.000 0.787 264 A N 0.358 123.115 122.820 -0.106 0.000 1.978 264 A HA -0.183 4.137 4.320 -0.000 0.000 0.220 264 A C 2.445 180.005 177.584 -0.041 0.000 1.170 264 A CA 1.351 53.353 52.037 -0.058 0.000 0.636 264 A CB -1.182 17.788 19.000 -0.050 0.000 0.810 264 A HN 0.053 nan 8.150 nan 0.000 0.448 265 R N -2.684 117.794 120.500 -0.036 0.000 2.240 265 R HA -0.003 4.337 4.340 -0.000 0.000 0.203 265 R C 1.768 178.077 176.300 0.015 0.000 1.011 265 R CA 1.070 57.182 56.100 0.020 0.000 1.007 265 R CB -0.121 30.227 30.300 0.079 0.000 0.911 265 R HN 0.748 nan 8.270 nan 0.000 0.468 266 Y N 1.069 121.213 120.300 -0.260 0.000 2.284 266 Y HA 0.063 4.613 4.550 -0.000 0.000 0.293 266 Y C 1.569 177.288 175.900 -0.302 0.000 1.140 266 Y CA 1.057 58.846 58.100 -0.519 0.000 1.153 266 Y CB -0.005 38.044 38.460 -0.686 0.000 1.114 266 Y HN -0.069 nan 8.280 nan 0.000 0.521 267 E N -0.044 119.988 120.200 -0.280 0.000 2.273 267 E HA -0.236 4.114 4.350 -0.000 0.000 0.198 267 E C 2.245 178.729 176.600 -0.193 0.000 1.002 267 E CA 1.205 57.436 56.400 -0.281 0.000 0.828 267 E CB -0.280 29.343 29.700 -0.130 0.000 0.747 267 E HN 0.463 nan 8.360 nan 0.000 0.491 268 S N 1.641 117.260 115.700 -0.135 0.000 2.370 268 S HA -0.202 4.268 4.470 -0.000 0.000 0.226 268 S C 1.235 175.781 174.600 -0.090 0.000 1.033 268 S CA 1.587 59.737 58.200 -0.084 0.000 1.011 268 S CB -0.078 63.097 63.200 -0.041 0.000 0.852 268 S HN 0.461 nan 8.310 nan 0.000 0.457 269 E N 0.484 120.611 120.200 -0.121 0.000 4.170 269 E HA 0.444 4.794 4.350 -0.000 0.000 0.215 269 E C -0.734 175.795 176.600 -0.118 0.000 1.119 269 E CA -0.661 55.692 56.400 -0.078 0.000 1.396 269 E CB 0.799 30.500 29.700 0.001 0.000 1.182 269 E HN 0.351 nan 8.360 nan 0.000 0.438 270 V N -2.370 117.422 119.914 -0.204 0.000 2.888 270 V HA 0.622 4.741 4.120 -0.000 0.000 0.309 270 V C -2.968 173.032 176.094 -0.158 0.000 1.114 270 V CA -2.629 59.556 62.300 -0.191 0.000 0.940 270 V CB 1.423 33.051 31.823 -0.326 0.000 1.021 270 V HN 0.037 nan 8.190 nan 0.000 0.426 271 P HA 0.383 nan 4.420 nan 0.000 0.280 271 P C 0.638 177.885 177.300 -0.088 0.000 1.244 271 P CA -0.232 62.819 63.100 -0.081 0.000 0.784 271 P CB 0.838 32.507 31.700 -0.051 0.000 0.913 272 E N 1.813 121.964 120.200 -0.082 0.000 2.284 272 E HA -0.246 4.104 4.350 -0.000 0.000 0.200 272 E C 1.526 178.099 176.600 -0.045 0.000 1.008 272 E CA 1.491 57.847 56.400 -0.074 0.000 0.829 272 E CB -0.151 29.517 29.700 -0.053 0.000 0.744 272 E HN 0.545 nan 8.360 nan 0.000 0.491 273 A N 0.943 123.742 122.820 -0.035 0.000 2.072 273 A HA -0.053 4.267 4.320 -0.000 0.000 0.216 273 A C 1.338 178.916 177.584 -0.010 0.000 1.156 273 A CA 0.616 52.642 52.037 -0.018 0.000 0.701 273 A CB -0.009 18.981 19.000 -0.016 0.000 0.816 273 A HN 0.123 nan 8.150 nan 0.000 0.458 274 N N -0.495 118.195 118.700 -0.016 0.000 2.322 274 N HA 0.107 4.847 4.740 -0.000 0.000 0.194 274 N C 1.133 176.661 175.510 0.029 0.000 1.126 274 N CA 0.010 53.062 53.050 0.002 0.000 0.845 274 N CB 0.028 38.513 38.487 -0.003 0.000 0.976 274 N HN 0.377 nan 8.380 nan 0.000 0.475 275 R N 0.367 120.885 120.500 0.030 0.000 2.339 275 R HA 0.067 4.406 4.340 -0.000 0.000 0.199 275 R C -0.092 176.317 176.300 0.182 0.000 1.018 275 R CA -0.186 55.972 56.100 0.097 0.000 1.036 275 R CB -0.330 30.011 30.300 0.068 0.000 0.899 275 R HN 0.156 nan 8.270 nan 0.000 0.473 276 L N 2.989 124.273 121.223 0.102 0.000 3.257 276 L HA -0.205 4.135 4.340 -0.000 0.000 0.317 276 L C -0.204 176.698 176.870 0.055 0.000 0.906 276 L CA 0.675 55.555 54.840 0.066 0.000 1.032 276 L CB -0.812 41.270 42.059 0.039 0.000 1.616 276 L HN 0.051 nan 8.230 nan 0.000 0.447 277 N N 3.003 121.715 118.700 0.020 0.000 2.497 277 N HA 0.389 5.129 4.740 -0.000 0.000 0.268 277 N C -0.211 175.194 175.510 -0.176 0.000 1.171 277 N CA 0.730 53.680 53.050 -0.166 0.000 0.948 277 N CB 0.668 39.059 38.487 -0.159 0.000 1.069 277 N HN 0.735 nan 8.380 nan 0.000 0.460 278 T N 1.615 116.019 114.554 -0.249 0.000 2.686 278 T HA 0.368 4.718 4.350 -0.000 0.000 0.308 278 T C -1.232 173.357 174.700 -0.185 0.000 1.667 278 T CA -0.768 61.230 62.100 -0.169 0.000 0.987 278 T CB 0.522 69.334 68.868 -0.093 0.000 1.652 278 T HN 0.467 nan 8.240 nan 0.000 0.496 279 R N -0.043 120.378 120.500 -0.130 0.000 2.596 279 R HA 0.735 5.075 4.340 -0.000 0.000 0.267 279 R C 0.105 176.352 176.300 -0.088 0.000 1.026 279 R CA -0.678 55.353 56.100 -0.115 0.000 1.087 279 R CB 1.425 31.665 30.300 -0.100 0.000 1.132 279 R HN 0.814 nan 8.270 nan 0.000 0.531 280 G N 0.583 109.337 108.800 -0.077 0.000 2.704 280 G HA2 0.519 4.479 3.960 -0.000 0.000 0.293 280 G HA3 0.519 4.479 3.960 -0.000 0.000 0.293 280 G C -1.361 173.505 174.900 -0.057 0.000 1.421 280 G CA -0.704 44.359 45.100 -0.062 0.000 0.870 280 G HN 0.328 nan 8.290 nan 0.000 0.492 281 I N 1.063 121.598 120.570 -0.057 0.000 2.328 281 I HA 0.241 4.411 4.170 -0.000 0.000 0.287 281 I C 0.587 176.673 176.117 -0.051 0.000 1.012 281 I CA -0.463 60.806 61.300 -0.052 0.000 1.195 281 I CB 1.871 39.836 38.000 -0.057 0.000 1.350 281 I HN 0.582 nan 8.210 nan 0.000 0.464 282 E N 5.955 126.142 120.200 -0.022 0.000 2.383 282 E HA 0.017 4.367 4.350 -0.000 0.000 0.257 282 E C 0.723 177.316 176.600 -0.011 0.000 1.079 282 E CA -0.083 56.317 56.400 0.000 0.000 0.934 282 E CB 0.806 30.532 29.700 0.044 0.000 0.978 282 E HN 0.626 nan 8.360 nan 0.000 0.462 283 V N 1.591 121.458 119.914 -0.077 0.000 3.644 283 V HA 0.486 4.606 4.120 -0.000 0.000 0.267 283 V C 0.630 176.748 176.094 0.041 0.000 1.277 283 V CA 0.522 62.745 62.300 -0.128 0.000 1.096 283 V CB 0.273 31.811 31.823 -0.475 0.000 0.828 283 V HN 0.595 nan 8.190 nan 0.000 0.446 284 G N -0.697 108.202 108.800 0.164 0.000 2.489 284 G HA2 0.542 4.502 3.960 -0.000 0.000 0.291 284 G HA3 0.542 4.502 3.960 -0.000 0.000 0.291 284 G C -2.073 173.088 174.900 0.434 0.000 1.487 284 G CA -0.527 44.795 45.100 0.370 0.000 0.795 284 G HN 0.237 nan 8.290 nan 0.000 0.513 285 Q N -0.809 119.266 119.800 0.459 0.000 2.377 285 Q HA 0.680 5.020 4.340 -0.000 0.000 0.279 285 Q C -1.200 174.911 176.000 0.186 0.000 1.049 285 Q CA -0.973 54.979 55.803 0.249 0.000 0.825 285 Q CB 2.746 31.559 28.738 0.126 0.000 1.401 285 Q HN 0.868 nan 8.270 nan 0.000 0.404 286 I N -0.961 119.541 120.570 -0.113 0.000 2.545 286 I HA 0.676 4.846 4.170 -0.000 0.000 0.292 286 I C -1.470 174.599 176.117 -0.080 0.000 1.040 286 I CA -0.818 60.493 61.300 0.018 0.000 1.068 286 I CB 1.467 39.401 38.000 -0.111 0.000 1.251 286 I HN 0.354 nan 8.210 nan 0.000 0.424 287 F N 5.019 125.054 119.950 0.142 0.000 2.556 287 F HA 0.456 4.983 4.527 -0.000 0.000 0.314 287 F C -0.871 175.067 175.800 0.231 0.000 1.106 287 F CA -0.842 57.313 58.000 0.258 0.000 0.911 287 F CB 1.811 40.938 39.000 0.212 0.000 1.190 287 F HN 0.474 nan 8.300 nan 0.000 0.448 288 Y N 4.567 125.066 120.300 0.331 0.000 2.334 288 Y HA 0.484 5.034 4.550 -0.000 0.000 0.336 288 Y C -0.670 175.257 175.900 0.044 0.000 0.960 288 Y CA -2.039 56.077 58.100 0.028 0.000 1.164 288 Y CB 0.742 39.186 38.460 -0.027 0.000 1.155 288 Y HN 0.481 nan 8.280 nan 0.000 0.478 289 F N 3.666 123.304 119.950 -0.520 0.000 2.805 289 F HA 0.641 5.168 4.527 -0.000 0.000 0.317 289 F C 1.019 176.491 175.800 -0.546 0.000 1.146 289 F CA -0.926 56.806 58.000 -0.446 0.000 1.265 289 F CB -0.410 38.530 39.000 -0.099 0.000 0.992 289 F HN 0.722 nan 8.300 nan 0.000 0.511 290 G N 2.136 110.408 108.800 -0.880 0.000 2.690 290 G HA2 -0.430 3.530 3.960 -0.000 0.000 0.334 290 G HA3 -0.430 3.530 3.960 -0.000 0.000 0.334 290 G C 0.946 175.761 174.900 -0.141 0.000 1.250 290 G CA 1.617 46.588 45.100 -0.215 0.000 0.994 290 G HN 1.051 nan 8.290 nan 0.000 0.549 291 T N -1.495 112.950 114.554 -0.182 0.000 3.248 291 T HA 0.520 4.870 4.350 -0.000 0.000 0.271 291 T C 1.422 176.045 174.700 -0.128 0.000 1.005 291 T CA 0.941 62.944 62.100 -0.163 0.000 0.902 291 T CB 0.779 69.514 68.868 -0.222 0.000 1.102 291 T HN 0.639 nan 8.240 nan 0.000 0.548 292 K N 0.640 120.941 120.400 -0.165 0.000 1.987 292 K HA -0.150 4.170 4.320 -0.000 0.000 0.216 292 K C 1.025 177.281 176.600 -0.573 0.000 1.051 292 K CA 1.930 57.928 56.287 -0.482 0.000 0.942 292 K CB -0.236 31.752 32.500 -0.854 0.000 0.722 292 K HN 0.567 nan 8.250 nan 0.000 0.444 293 Y N -0.018 120.137 120.300 -0.241 0.000 2.517 293 Y HA -0.047 4.503 4.550 -0.000 0.000 0.281 293 Y C 2.567 178.414 175.900 -0.087 0.000 1.125 293 Y CA 0.750 58.721 58.100 -0.214 0.000 1.283 293 Y CB -0.020 38.244 38.460 -0.327 0.000 1.042 293 Y HN 0.211 nan 8.280 nan 0.000 0.547 294 S N -0.807 114.936 115.700 0.071 0.000 2.406 294 S HA -0.112 4.358 4.470 -0.000 0.000 0.224 294 S C 1.440 176.061 174.600 0.034 0.000 1.030 294 S CA 1.028 59.281 58.200 0.088 0.000 0.958 294 S CB -0.289 62.968 63.200 0.096 0.000 0.811 294 S HN 0.242 nan 8.310 nan 0.000 0.489 295 D N 2.802 123.186 120.400 -0.026 0.000 2.096 295 D HA -0.053 4.587 4.640 -0.000 0.000 0.200 295 D C 2.084 178.367 176.300 -0.030 0.000 0.980 295 D CA 2.167 56.146 54.000 -0.035 0.000 0.860 295 D CB -0.549 40.211 40.800 -0.068 0.000 1.005 295 D HN 0.569 nan 8.370 nan 0.000 0.449 296 S N -0.717 114.948 115.700 -0.059 0.000 2.723 296 S HA -0.014 4.456 4.470 -0.000 0.000 0.231 296 S C 1.381 175.963 174.600 -0.029 0.000 0.967 296 S CA 0.416 58.586 58.200 -0.050 0.000 0.958 296 S CB -0.221 62.932 63.200 -0.078 0.000 0.778 296 S HN 0.250 nan 8.310 nan 0.000 0.537 297 M N 0.416 120.012 119.600 -0.007 0.000 2.268 297 M HA 0.187 4.667 4.480 -0.000 0.000 0.355 297 M C -0.747 175.571 176.300 0.030 0.000 0.938 297 M CA -0.148 55.159 55.300 0.012 0.000 1.025 297 M CB 0.686 33.302 32.600 0.028 0.000 1.773 297 M HN 0.064 nan 8.290 nan 0.000 0.613 298 K N 0.724 121.143 120.400 0.032 0.000 4.387 298 K HA -0.157 4.163 4.320 -0.000 0.000 0.290 298 K C -0.464 176.184 176.600 0.080 0.000 0.936 298 K CA 0.841 57.154 56.287 0.043 0.000 0.890 298 K CB -2.451 30.062 32.500 0.022 0.000 1.617 298 K HN 0.424 nan 8.250 nan 0.000 0.437 299 A N 2.816 125.716 122.820 0.133 0.000 2.736 299 A HA 0.395 4.715 4.320 -0.000 0.000 0.335 299 A C -0.022 177.712 177.584 0.251 0.000 1.446 299 A CA -0.671 51.512 52.037 0.243 0.000 1.028 299 A CB -0.028 19.200 19.000 0.379 0.000 1.154 299 A HN 0.576 nan 8.150 nan 0.000 0.507 300 N N 0.140 118.943 118.700 0.172 0.000 2.466 300 N HA 0.627 5.367 4.740 -0.000 0.000 0.294 300 N C -0.574 175.031 175.510 0.158 0.000 1.129 300 N CA -0.787 52.354 53.050 0.151 0.000 0.931 300 N CB 2.335 40.875 38.487 0.088 0.000 1.193 300 N HN 0.381 nan 8.380 nan 0.000 0.500 301 V N -2.003 118.018 119.914 0.179 0.000 2.914 301 V HA 0.593 4.712 4.120 -0.000 0.000 0.314 301 V C 0.227 176.406 176.094 0.142 0.000 1.084 301 V CA -1.122 61.274 62.300 0.160 0.000 0.963 301 V CB 1.352 33.314 31.823 0.232 0.000 1.025 301 V HN 0.761 nan 8.190 nan 0.000 0.432 302 T N 0.986 115.617 114.554 0.128 0.000 2.779 302 T HA 0.612 4.962 4.350 -0.000 0.000 0.296 302 T C 0.601 175.423 174.700 0.202 0.000 0.938 302 T CA 0.296 62.473 62.100 0.129 0.000 1.119 302 T CB 0.534 69.463 68.868 0.101 0.000 0.891 302 T HN 1.414 nan 8.240 nan 0.000 0.526 303 G N 3.015 111.890 108.800 0.125 0.000 2.532 303 G HA2 0.512 4.472 3.960 -0.000 0.000 0.291 303 G HA3 0.512 4.472 3.960 -0.000 0.000 0.291 303 G C -1.703 173.102 174.900 -0.159 0.000 1.349 303 G CA -1.856 43.250 45.100 0.009 0.000 1.038 303 G HN 0.477 nan 8.290 nan 0.000 0.518 304 P HA 0.022 nan 4.420 nan 0.000 0.226 304 P C 0.598 177.801 177.300 -0.162 0.000 1.153 304 P CA 1.337 64.098 63.100 -0.565 0.000 0.777 304 P CB 0.096 31.343 31.700 -0.755 0.000 0.794 305 D N -2.992 117.337 120.400 -0.118 0.000 2.340 305 D HA 0.240 4.880 4.640 -0.000 0.000 0.217 305 D C 1.423 177.718 176.300 -0.008 0.000 1.081 305 D CA 0.249 54.221 54.000 -0.048 0.000 0.842 305 D CB -0.301 40.471 40.800 -0.046 0.000 0.934 305 D HN 0.110 nan 8.370 nan 0.000 0.511 306 G N 0.246 109.053 108.800 0.011 0.000 2.317 306 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.227 306 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.227 306 G C 0.611 175.533 174.900 0.035 0.000 1.042 306 G CA 0.296 45.415 45.100 0.031 0.000 0.623 306 G HN 0.784 nan 8.290 nan 0.000 0.509 307 T N -0.506 114.065 114.554 0.028 0.000 2.934 307 T HA 0.593 4.943 4.350 -0.000 0.000 0.283 307 T C -0.374 174.354 174.700 0.047 0.000 1.005 307 T CA -0.220 61.900 62.100 0.033 0.000 1.041 307 T CB 2.222 71.106 68.868 0.026 0.000 1.042 307 T HN 0.134 nan 8.240 nan 0.000 0.505 308 D N 0.901 121.330 120.400 0.047 0.000 2.341 308 D HA 0.514 5.153 4.640 -0.000 0.000 0.245 308 D C -0.313 176.025 176.300 0.065 0.000 1.106 308 D CA 0.275 54.311 54.000 0.059 0.000 0.905 308 D CB 1.401 42.230 40.800 0.048 0.000 1.202 308 D HN 0.913 nan 8.370 nan 0.000 0.426 309 A N 2.886 125.757 122.820 0.086 0.000 2.589 309 A HA 0.505 4.825 4.320 -0.000 0.000 0.296 309 A C -2.813 174.840 177.584 0.116 0.000 1.062 309 A CA -1.222 50.870 52.037 0.092 0.000 0.686 309 A CB 2.077 21.136 19.000 0.097 0.000 1.282 309 A HN 0.249 nan 8.150 nan 0.000 0.404 310 P HA 0.374 nan 4.420 nan 0.000 0.271 310 P C -0.035 177.327 177.300 0.103 0.000 1.216 310 P CA 0.060 63.217 63.100 0.095 0.000 0.771 310 P CB 0.177 31.896 31.700 0.031 0.000 0.864 311 I N 0.637 121.314 120.570 0.179 0.000 3.060 311 I HA 0.154 4.324 4.170 -0.000 0.000 0.285 311 I C 0.410 176.575 176.117 0.080 0.000 1.190 311 I CA 0.138 61.562 61.300 0.207 0.000 1.363 311 I CB -0.372 37.783 38.000 0.259 0.000 1.396 311 I HN 0.322 nan 8.210 nan 0.000 0.607 312 H N 2.972 122.131 119.070 0.150 0.000 2.556 312 H HA 0.547 5.103 4.556 -0.000 0.000 0.310 312 H C 0.106 175.496 175.328 0.102 0.000 1.057 312 H CA -0.190 55.961 56.048 0.172 0.000 1.264 312 H CB 1.412 31.328 29.762 0.256 0.000 1.404 312 H HN 0.963 nan 8.280 nan 0.000 0.462 313 G N 1.296 110.126 108.800 0.051 0.000 2.537 313 G HA2 0.602 4.562 3.960 -0.000 0.000 0.323 313 G HA3 0.602 4.562 3.960 -0.000 0.000 0.323 313 G C -0.455 173.976 174.900 -0.783 0.000 1.207 313 G CA -0.544 44.380 45.100 -0.293 0.000 0.976 313 G HN 0.683 nan 8.290 nan 0.000 0.487 314 G N -1.316 106.966 108.800 -0.865 0.000 2.682 314 G HA2 0.748 4.708 3.960 -0.000 0.000 0.290 314 G HA3 0.748 4.708 3.960 -0.000 0.000 0.290 314 G C -0.809 173.658 174.900 -0.721 0.000 1.425 314 G CA 0.297 44.826 45.100 -0.952 0.000 0.807 314 G HN 1.578 nan 8.290 nan 0.000 0.482 315 S N -1.323 113.877 115.700 -0.834 0.000 2.607 315 S HA 0.839 5.309 4.470 -0.000 0.000 0.273 315 S C -1.920 172.099 174.600 -0.969 0.000 1.148 315 S CA -0.895 56.917 58.200 -0.646 0.000 0.833 315 S CB 1.886 65.166 63.200 0.134 0.000 1.130 315 S HN 1.043 nan 8.310 nan 0.000 0.470 316 Y N -0.729 119.631 120.300 0.101 0.000 2.313 316 Y HA 0.645 5.195 4.550 -0.000 0.000 0.320 316 Y C 0.217 176.233 175.900 0.194 0.000 1.171 316 Y CA -0.756 57.425 58.100 0.134 0.000 1.093 316 Y CB 1.817 40.225 38.460 -0.087 0.000 1.224 316 Y HN 1.133 nan 8.280 nan 0.000 0.421 317 G N 1.340 110.415 108.800 0.458 0.000 2.461 317 G HA2 0.641 4.601 3.960 -0.000 0.000 0.323 317 G HA3 0.641 4.601 3.960 -0.000 0.000 0.323 317 G C -1.689 173.419 174.900 0.346 0.000 1.229 317 G CA -0.982 44.327 45.100 0.348 0.000 0.941 317 G HN 0.399 nan 8.290 nan 0.000 0.477 318 V N 1.391 121.392 119.914 0.145 0.000 2.409 318 V HA 0.536 4.656 4.120 -0.000 0.000 0.291 318 V C 0.945 177.096 176.094 0.095 0.000 1.020 318 V CA -0.571 61.761 62.300 0.054 0.000 0.848 318 V CB 1.686 33.375 31.823 -0.224 0.000 0.990 318 V HN 0.954 nan 8.190 nan 0.000 0.430 319 G N 3.598 112.490 108.800 0.153 0.000 2.789 319 G HA2 0.236 4.196 3.960 -0.000 0.000 0.281 319 G HA3 0.236 4.196 3.960 -0.000 0.000 0.281 319 G C 0.961 175.925 174.900 0.106 0.000 0.708 319 G CA -0.054 45.142 45.100 0.159 0.000 2.067 319 G HN 0.584 nan 8.290 nan 0.000 0.554 320 V N 2.187 122.122 119.914 0.034 0.000 2.343 320 V HA -0.238 3.882 4.120 -0.000 0.000 0.247 320 V C 3.067 179.158 176.094 -0.005 0.000 1.051 320 V CA 2.626 64.900 62.300 -0.044 0.000 1.036 320 V CB -0.294 31.427 31.823 -0.170 0.000 0.654 320 V HN 0.798 nan 8.190 nan 0.000 0.451 321 S N -0.154 115.576 115.700 0.051 0.000 2.387 321 S HA -0.189 4.281 4.470 -0.000 0.000 0.226 321 S C 2.090 176.848 174.600 0.264 0.000 1.026 321 S CA 1.036 59.367 58.200 0.218 0.000 0.972 321 S CB -0.480 62.992 63.200 0.453 0.000 0.814 321 S HN 0.513 nan 8.310 nan 0.000 0.477 322 R N 0.983 121.600 120.500 0.196 0.000 2.096 322 R HA 0.093 4.433 4.340 -0.000 0.000 0.235 322 R C 2.223 178.594 176.300 0.118 0.000 1.127 322 R CA 1.134 57.316 56.100 0.137 0.000 0.968 322 R CB -0.605 29.749 30.300 0.091 0.000 0.861 322 R HN 0.465 nan 8.270 nan 0.000 0.440 323 L N 0.770 122.063 121.223 0.116 0.000 2.129 323 L HA -0.260 4.079 4.340 -0.000 0.000 0.212 323 L C 2.241 179.206 176.870 0.158 0.000 1.087 323 L CA 1.000 55.910 54.840 0.117 0.000 0.757 323 L CB -0.357 41.770 42.059 0.113 0.000 0.896 323 L HN 0.199 nan 8.230 nan 0.000 0.434 324 L N -0.518 120.823 121.223 0.196 0.000 1.994 324 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 324 L C 2.641 179.661 176.870 0.250 0.000 1.071 324 L CA 2.090 57.098 54.840 0.280 0.000 0.745 324 L CB -1.285 40.983 42.059 0.348 0.000 0.892 324 L HN 0.213 nan 8.230 nan 0.000 0.431 325 G N -1.211 107.690 108.800 0.168 0.000 2.421 325 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.216 325 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.216 325 G C 1.702 176.640 174.900 0.063 0.000 1.171 325 G CA 0.849 46.005 45.100 0.092 0.000 0.775 325 G HN 0.494 nan 8.290 nan 0.000 0.543 326 A N 0.638 123.496 122.820 0.064 0.000 1.902 326 A HA 0.075 4.395 4.320 -0.000 0.000 0.217 326 A C 2.406 180.026 177.584 0.059 0.000 1.181 326 A CA 1.232 53.288 52.037 0.032 0.000 0.623 326 A CB -0.356 18.648 19.000 0.008 0.000 0.818 326 A HN 0.375 nan 8.150 nan 0.000 0.443 327 I N -0.096 120.545 120.570 0.119 0.000 2.208 327 I HA -0.276 3.894 4.170 -0.000 0.000 0.245 327 I C 2.194 178.375 176.117 0.105 0.000 1.097 327 I CA 1.395 62.792 61.300 0.161 0.000 1.363 327 I CB -0.261 37.922 38.000 0.304 0.000 1.051 327 I HN 0.327 nan 8.210 nan 0.000 0.413 328 I N 0.033 120.640 120.570 0.061 0.000 2.439 328 I HA -0.178 3.992 4.170 -0.000 0.000 0.251 328 I C 1.985 178.104 176.117 0.003 0.000 1.139 328 I CA 0.912 62.172 61.300 -0.067 0.000 1.438 328 I CB -0.460 37.460 38.000 -0.133 0.000 1.085 328 I HN 0.205 nan 8.210 nan 0.000 0.427 329 E N 1.118 121.319 120.200 0.002 0.000 2.515 329 E HA -0.030 4.320 4.350 -0.000 0.000 0.201 329 E C 1.301 177.983 176.600 0.136 0.000 1.071 329 E CA 0.614 57.021 56.400 0.013 0.000 0.880 329 E CB 0.259 29.936 29.700 -0.038 0.000 0.828 329 E HN 0.493 nan 8.360 nan 0.000 0.540 330 A N -0.724 122.172 122.820 0.127 0.000 2.628 330 A HA 0.226 4.546 4.320 -0.000 0.000 0.267 330 A C 0.407 178.008 177.584 0.028 0.000 1.159 330 A CA -0.319 51.759 52.037 0.067 0.000 0.972 330 A CB 0.396 19.420 19.000 0.040 0.000 1.211 330 A HN 0.165 nan 8.150 nan 0.000 0.576 331 C N 2.269 121.607 119.300 0.064 0.000 3.319 331 C HA 0.543 5.003 4.460 -0.000 0.000 0.258 331 C C -0.785 174.185 174.990 -0.034 0.000 1.068 331 C CA -0.603 58.398 59.018 -0.028 0.000 1.193 331 C CB -0.916 26.816 27.740 -0.013 0.000 1.770 331 C HN 0.666 nan 8.230 nan 0.000 0.604 332 H N -0.463 118.535 119.070 -0.121 0.000 3.017 332 H HA 0.813 5.369 4.556 -0.000 0.000 0.346 332 H C -1.734 173.537 175.328 -0.096 0.000 1.286 332 H CA -0.509 55.458 56.048 -0.135 0.000 1.120 332 H CB 1.655 31.335 29.762 -0.137 0.000 1.860 332 H HN 0.361 nan 8.280 nan 0.000 0.542 333 D N -0.291 120.083 120.400 -0.044 0.000 2.801 333 D HA 0.130 4.770 4.640 -0.000 0.000 0.277 333 D C 0.117 176.441 176.300 0.040 0.000 1.125 333 D CA -0.576 53.391 54.000 -0.055 0.000 1.102 333 D CB 0.231 40.982 40.800 -0.081 0.000 1.400 333 D HN 0.302 nan 8.370 nan 0.000 0.601 334 D N -1.135 119.272 120.400 0.012 0.000 2.351 334 D HA -0.065 4.575 4.640 -0.000 0.000 0.216 334 D C 0.533 176.838 176.300 0.007 0.000 0.968 334 D CA 0.850 54.859 54.000 0.016 0.000 0.899 334 D CB -0.348 40.453 40.800 0.002 0.000 0.907 334 D HN 0.315 nan 8.370 nan 0.000 0.514 335 N N -0.709 117.990 118.700 -0.001 0.000 2.299 335 N HA 0.298 5.038 4.740 -0.000 0.000 0.187 335 N C 0.767 176.276 175.510 -0.003 0.000 1.099 335 N CA 0.464 53.514 53.050 -0.001 0.000 0.867 335 N CB 1.335 39.819 38.487 -0.004 0.000 0.974 335 N HN 0.188 nan 8.380 nan 0.000 0.477 336 G N -0.189 108.606 108.800 -0.009 0.000 2.225 336 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.203 336 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.203 336 G C -1.184 173.678 174.900 -0.063 0.000 1.335 336 G CA -0.895 44.185 45.100 -0.033 0.000 1.183 336 G HN -0.002 nan 8.290 nan 0.000 0.488 337 I N 0.805 121.284 120.570 -0.152 0.000 2.713 337 I HA 0.563 4.733 4.170 -0.000 0.000 0.300 337 I C -0.067 175.876 176.117 -0.289 0.000 1.009 337 I CA -0.534 60.574 61.300 -0.322 0.000 1.305 337 I CB 1.370 38.974 38.000 -0.660 0.000 1.430 337 I HN 0.328 nan 8.210 nan 0.000 0.546 338 I N 3.564 123.944 120.570 -0.316 0.000 2.563 338 I HA 0.189 4.359 4.170 -0.000 0.000 0.276 338 I C -0.988 175.055 176.117 -0.124 0.000 1.074 338 I CA -0.185 61.008 61.300 -0.179 0.000 1.124 338 I CB 0.530 38.462 38.000 -0.112 0.000 1.225 338 I HN 0.452 nan 8.210 nan 0.000 0.482 339 W N 6.995 128.315 121.300 0.034 0.000 2.210 339 W HA 0.266 4.926 4.660 -0.000 0.000 0.330 339 W C -2.012 174.522 176.519 0.025 0.000 1.334 339 W CA -1.523 55.847 57.345 0.042 0.000 1.227 339 W CB 0.221 29.717 29.460 0.061 0.000 1.178 339 W HN 0.180 nan 8.180 nan 0.000 0.560 340 P HA 0.013 nan 4.420 nan 0.000 0.275 340 P C 0.445 177.851 177.300 0.176 0.000 1.227 340 P CA 0.001 63.220 63.100 0.198 0.000 0.781 340 P CB 0.837 32.635 31.700 0.164 0.000 0.906 341 E N 2.167 122.453 120.200 0.144 0.000 2.086 341 E HA -0.318 4.032 4.350 -0.000 0.000 0.205 341 E C 1.857 178.510 176.600 0.087 0.000 1.027 341 E CA 2.068 58.555 56.400 0.145 0.000 0.830 341 E CB -0.523 29.278 29.700 0.169 0.000 0.751 341 E HN 0.565 nan 8.360 nan 0.000 0.456 342 A N 1.029 123.884 122.820 0.059 0.000 1.978 342 A HA -0.159 4.161 4.320 -0.000 0.000 0.220 342 A C 2.419 179.976 177.584 -0.046 0.000 1.170 342 A CA 1.872 53.914 52.037 0.009 0.000 0.636 342 A CB -0.499 18.504 19.000 0.005 0.000 0.810 342 A HN 0.257 nan 8.150 nan 0.000 0.448 343 V N -4.056 115.826 119.914 -0.053 0.000 3.660 343 V HA 0.609 4.729 4.120 -0.000 0.000 0.276 343 V C 1.058 176.915 176.094 -0.395 0.000 1.317 343 V CA -0.058 62.129 62.300 -0.189 0.000 1.097 343 V CB -1.216 30.517 31.823 -0.151 0.000 0.863 343 V HN 0.583 nan 8.190 nan 0.000 0.438 344 A N 2.656 125.328 122.820 -0.247 0.000 2.511 344 A HA 0.458 4.778 4.320 -0.000 0.000 0.242 344 A C -0.509 176.883 177.584 -0.321 0.000 1.069 344 A CA -0.412 51.435 52.037 -0.317 0.000 0.763 344 A CB -0.111 18.921 19.000 0.052 0.000 1.001 344 A HN 0.423 nan 8.150 nan 0.000 0.498 345 P HA 0.005 nan 4.420 nan 0.000 0.226 345 P C -0.270 176.605 177.300 -0.709 0.000 1.153 345 P CA 1.174 64.009 63.100 -0.441 0.000 0.777 345 P CB 0.006 31.558 31.700 -0.247 0.000 0.794 346 F N -2.319 117.640 119.950 0.016 0.000 2.619 346 F HA 0.445 4.972 4.527 -0.000 0.000 0.308 346 F C 1.622 177.484 175.800 0.103 0.000 1.097 346 F CA -0.955 57.079 58.000 0.057 0.000 0.953 346 F CB 1.322 40.367 39.000 0.076 0.000 1.287 346 F HN -0.474 nan 8.300 nan 0.000 0.446 347 R N 0.320 120.999 120.500 0.297 0.000 2.073 347 R HA 0.174 4.514 4.340 -0.000 0.000 0.229 347 R C -0.421 176.094 176.300 0.358 0.000 1.120 347 R CA 0.972 57.243 56.100 0.285 0.000 0.967 347 R CB 0.437 30.861 30.300 0.207 0.000 0.862 347 R HN 0.418 nan 8.270 nan 0.000 0.436 348 V N -0.532 119.565 119.914 0.305 0.000 2.925 348 V HA 0.381 4.501 4.120 -0.000 0.000 0.311 348 V C -1.387 174.833 176.094 0.211 0.000 1.104 348 V CA -0.554 61.914 62.300 0.281 0.000 0.954 348 V CB 2.211 34.154 31.823 0.200 0.000 1.022 348 V HN 0.060 nan 8.190 nan 0.000 0.427 349 T N 6.749 121.424 114.554 0.202 0.000 2.812 349 T HA 0.607 4.957 4.350 -0.000 0.000 0.282 349 T C -0.660 174.143 174.700 0.172 0.000 0.990 349 T CA -0.403 61.784 62.100 0.144 0.000 0.960 349 T CB 0.615 69.558 68.868 0.126 0.000 0.948 349 T HN 0.596 nan 8.240 nan 0.000 0.438 350 I N 6.208 126.873 120.570 0.157 0.000 2.312 350 I HA 0.318 4.488 4.170 -0.000 0.000 0.291 350 I C -0.244 176.003 176.117 0.216 0.000 1.031 350 I CA -0.551 60.844 61.300 0.158 0.000 1.293 350 I CB 0.881 38.908 38.000 0.045 0.000 1.403 350 I HN 0.418 nan 8.210 nan 0.000 0.484 351 L N 6.440 127.786 121.223 0.205 0.000 2.277 351 L HA 0.331 4.671 4.340 -0.000 0.000 0.284 351 L C 0.215 177.155 176.870 0.117 0.000 1.028 351 L CA -0.574 54.353 54.840 0.144 0.000 0.835 351 L CB 0.587 42.698 42.059 0.087 0.000 1.215 351 L HN 0.544 nan 8.230 nan 0.000 0.425 352 N N 4.195 122.988 118.700 0.155 0.000 2.402 352 N HA 0.091 4.831 4.740 -0.000 0.000 0.259 352 N C 0.586 176.109 175.510 0.021 0.000 1.167 352 N CA 0.055 53.181 53.050 0.127 0.000 0.949 352 N CB 0.875 39.513 38.487 0.252 0.000 1.212 352 N HN 0.650 nan 8.380 nan 0.000 0.493 353 L N 2.001 123.223 121.223 -0.001 0.000 2.610 353 L HA 0.093 4.433 4.340 -0.000 0.000 0.232 353 L C 0.803 177.645 176.870 -0.048 0.000 1.149 353 L CA 0.493 55.294 54.840 -0.065 0.000 0.872 353 L CB -0.108 41.925 42.059 -0.044 0.000 0.992 353 L HN 0.471 nan 8.230 nan 0.000 0.447 354 K N 0.519 120.910 120.400 -0.016 0.000 2.832 354 K HA 0.145 4.465 4.320 -0.000 0.000 0.243 354 K C -0.586 176.013 176.600 -0.002 0.000 1.117 354 K CA -0.420 55.858 56.287 -0.015 0.000 1.068 354 K CB 0.951 33.448 32.500 -0.005 0.000 1.286 354 K HN -0.174 nan 8.250 nan 0.000 0.553 355 Q N 0.255 120.048 119.800 -0.012 0.000 2.386 355 Q HA 0.181 4.521 4.340 -0.000 0.000 0.282 355 Q C 1.114 177.114 176.000 -0.001 0.000 1.050 355 Q CA 2.596 58.397 55.803 -0.003 0.000 0.918 355 Q CB 0.715 29.434 28.738 -0.031 0.000 1.266 355 Q HN 0.800 nan 8.270 nan 0.000 0.423 356 G N 2.827 111.633 108.800 0.010 0.000 2.225 356 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.254 356 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.254 356 G C -0.165 174.742 174.900 0.011 0.000 0.988 356 G CA 0.183 45.287 45.100 0.007 0.000 0.625 356 G HN 0.720 nan 8.290 nan 0.000 0.527 357 D N 0.768 121.177 120.400 0.014 0.000 2.371 357 D HA 0.629 5.269 4.640 -0.000 0.000 0.256 357 D C 1.623 177.934 176.300 0.019 0.000 1.193 357 D CA 0.927 54.935 54.000 0.014 0.000 0.881 357 D CB 0.778 41.586 40.800 0.014 0.000 1.143 357 D HN 0.527 nan 8.370 nan 0.000 0.473 358 A N 3.935 126.765 122.820 0.016 0.000 2.032 358 A HA -0.143 4.177 4.320 -0.000 0.000 0.221 358 A C 2.019 179.613 177.584 0.016 0.000 1.165 358 A CA 2.102 54.149 52.037 0.016 0.000 0.645 358 A CB -0.573 18.434 19.000 0.013 0.000 0.807 358 A HN 0.649 nan 8.150 nan 0.000 0.453 359 A N -0.543 122.285 122.820 0.014 0.000 1.850 359 A HA 0.018 4.338 4.320 -0.000 0.000 0.212 359 A C 2.437 180.028 177.584 0.012 0.000 1.208 359 A CA 2.187 54.231 52.037 0.012 0.000 0.609 359 A CB -1.380 17.627 19.000 0.011 0.000 0.860 359 A HN 0.718 nan 8.150 nan 0.000 0.448 360 T N -1.270 113.294 114.554 0.017 0.000 2.759 360 T HA -0.187 4.163 4.350 -0.000 0.000 0.269 360 T C 1.329 176.041 174.700 0.020 0.000 1.042 360 T CA 1.673 63.785 62.100 0.020 0.000 1.140 360 T CB -0.588 68.298 68.868 0.030 0.000 0.864 360 T HN 0.354 nan 8.240 nan 0.000 0.455 361 D N 2.184 122.605 120.400 0.036 0.000 2.084 361 D HA 0.024 4.664 4.640 -0.000 0.000 0.194 361 D C 2.558 178.870 176.300 0.020 0.000 0.990 361 D CA 1.591 55.625 54.000 0.057 0.000 0.826 361 D CB -0.811 40.026 40.800 0.062 0.000 0.971 361 D HN 0.553 nan 8.370 nan 0.000 0.453 362 A N 0.924 123.751 122.820 0.012 0.000 1.933 362 A HA -0.047 4.273 4.320 -0.000 0.000 0.218 362 A C 2.274 179.846 177.584 -0.020 0.000 1.175 362 A CA 2.273 54.311 52.037 0.002 0.000 0.628 362 A CB -0.611 18.392 19.000 0.006 0.000 0.814 362 A HN 0.249 nan 8.150 nan 0.000 0.444 363 A N -1.171 121.632 122.820 -0.027 0.000 1.897 363 A HA -0.093 4.227 4.320 -0.000 0.000 0.215 363 A C 2.284 179.813 177.584 -0.092 0.000 1.181 363 A CA 1.520 53.532 52.037 -0.041 0.000 0.620 363 A CB -1.136 17.850 19.000 -0.023 0.000 0.821 363 A HN 0.584 nan 8.150 nan 0.000 0.443 364 C N -0.517 118.691 119.300 -0.154 0.000 2.446 364 C HA -0.068 4.392 4.460 -0.000 0.000 0.277 364 C C 2.380 177.114 174.990 -0.427 0.000 1.275 364 C CA 0.871 59.662 59.018 -0.378 0.000 1.727 364 C CB -1.103 26.283 27.740 -0.590 0.000 2.010 364 C HN 0.578 nan 8.230 nan 0.000 0.486 365 D N 0.192 120.457 120.400 -0.226 0.000 2.116 365 D HA -0.185 4.455 4.640 -0.000 0.000 0.193 365 D C 2.263 178.570 176.300 0.012 0.000 0.998 365 D CA 1.409 55.374 54.000 -0.059 0.000 0.836 365 D CB -0.556 40.261 40.800 0.028 0.000 0.951 365 D HN 0.631 nan 8.370 nan 0.000 0.449 366 Q N 0.343 120.129 119.800 -0.023 0.000 2.046 366 Q HA -0.126 4.214 4.340 -0.000 0.000 0.200 366 Q C 2.550 178.536 176.000 -0.024 0.000 0.975 366 Q CA 0.737 56.532 55.803 -0.015 0.000 0.836 366 Q CB -0.247 28.479 28.738 -0.021 0.000 0.896 366 Q HN 0.295 nan 8.270 nan 0.000 0.428 367 L N 0.178 121.374 121.223 -0.045 0.000 2.043 367 L HA -0.234 4.106 4.340 -0.000 0.000 0.212 367 L C 2.624 179.486 176.870 -0.012 0.000 1.075 367 L CA 1.937 56.753 54.840 -0.040 0.000 0.752 367 L CB -0.774 41.252 42.059 -0.055 0.000 0.891 367 L HN 0.395 nan 8.230 nan 0.000 0.432 368 Y N 0.961 121.171 120.300 -0.149 0.000 2.145 368 Y HA -0.281 4.269 4.550 -0.000 0.000 0.286 368 Y C 2.673 178.534 175.900 -0.065 0.000 1.145 368 Y CA 1.578 59.617 58.100 -0.101 0.000 1.148 368 Y CB -0.188 38.190 38.460 -0.137 0.000 0.981 368 Y HN -0.057 nan 8.280 nan 0.000 0.507 369 R N 0.675 121.093 120.500 -0.136 0.000 2.092 369 R HA -0.102 4.238 4.340 -0.000 0.000 0.231 369 R C 2.297 178.493 176.300 -0.174 0.000 1.119 369 R CA 1.828 57.800 56.100 -0.213 0.000 0.970 369 R CB -0.393 29.863 30.300 -0.073 0.000 0.864 369 R HN 0.507 nan 8.270 nan 0.000 0.440 370 E N -0.101 120.035 120.200 -0.107 0.000 2.072 370 E HA -0.116 4.234 4.350 -0.000 0.000 0.191 370 E C 1.842 178.384 176.600 -0.096 0.000 0.985 370 E CA 0.941 57.289 56.400 -0.087 0.000 0.801 370 E CB -0.039 29.625 29.700 -0.059 0.000 0.750 370 E HN 0.226 nan 8.360 nan 0.000 0.452 371 L N 0.299 121.464 121.223 -0.097 0.000 2.093 371 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 371 L C 2.649 179.462 176.870 -0.095 0.000 1.085 371 L CA 0.705 55.498 54.840 -0.078 0.000 0.755 371 L CB -0.328 41.705 42.059 -0.043 0.000 0.904 371 L HN 0.132 nan 8.230 nan 0.000 0.435 372 S N -0.339 115.255 115.700 -0.178 0.000 2.359 372 S HA -0.223 4.247 4.470 -0.000 0.000 0.224 372 S C 2.132 176.651 174.600 -0.134 0.000 1.035 372 S CA 1.404 59.490 58.200 -0.191 0.000 1.018 372 S CB -0.102 62.840 63.200 -0.430 0.000 0.876 372 S HN 0.461 nan 8.310 nan 0.000 0.448 373 A N 1.587 124.321 122.820 -0.143 0.000 1.877 373 A HA -0.040 4.280 4.320 -0.000 0.000 0.216 373 A C 1.924 179.469 177.584 -0.065 0.000 1.186 373 A CA 1.301 53.278 52.037 -0.100 0.000 0.620 373 A CB -0.502 18.441 19.000 -0.094 0.000 0.822 373 A HN 0.439 nan 8.150 nan 0.000 0.443 374 K N -0.399 119.964 120.400 -0.062 0.000 2.665 374 K HA 0.033 4.353 4.320 -0.000 0.000 0.196 374 K C 0.931 177.509 176.600 -0.035 0.000 1.021 374 K CA 0.691 56.950 56.287 -0.046 0.000 1.066 374 K CB -0.909 31.561 32.500 -0.049 0.000 0.849 374 K HN 0.822 nan 8.250 nan 0.000 0.500 375 G N 0.950 109.731 108.800 -0.032 0.000 2.198 375 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.257 375 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.257 375 G C 0.004 174.904 174.900 -0.000 0.000 1.042 375 G CA 0.158 45.250 45.100 -0.013 0.000 0.791 375 G HN 0.144 nan 8.290 nan 0.000 0.502 376 V N 0.617 120.531 119.914 0.001 0.000 2.394 376 V HA 0.346 4.466 4.120 -0.000 0.000 0.282 376 V C 0.080 176.219 176.094 0.075 0.000 1.031 376 V CA -1.141 61.175 62.300 0.027 0.000 0.881 376 V CB 1.707 33.536 31.823 0.010 0.000 0.982 376 V HN 0.249 nan 8.190 nan 0.000 0.451 377 D N 3.495 123.963 120.400 0.113 0.000 2.368 377 D HA 0.175 4.815 4.640 -0.000 0.000 0.268 377 D C -0.271 176.243 176.300 0.357 0.000 1.298 377 D CA 0.617 54.743 54.000 0.210 0.000 0.938 377 D CB 1.360 42.242 40.800 0.135 0.000 1.101 377 D HN 0.308 nan 8.370 nan 0.000 0.509 378 V N 4.351 124.479 119.914 0.356 0.000 2.540 378 V HA 0.398 4.517 4.120 -0.000 0.000 0.302 378 V C -1.153 174.949 176.094 0.014 0.000 1.035 378 V CA -0.918 61.520 62.300 0.229 0.000 0.873 378 V CB 1.999 33.916 31.823 0.157 0.000 0.992 378 V HN 0.295 nan 8.190 nan 0.000 0.428 379 L N 7.756 128.786 121.223 -0.321 0.000 2.272 379 L HA 0.541 4.881 4.340 -0.000 0.000 0.289 379 L C -1.164 175.656 176.870 -0.084 0.000 1.032 379 L CA -0.276 54.218 54.840 -0.577 0.000 0.810 379 L CB 1.277 42.751 42.059 -0.975 0.000 1.205 379 L HN 0.740 nan 8.230 nan 0.000 0.422 380 Y N 4.550 124.727 120.300 -0.206 0.000 2.385 380 Y HA 0.322 4.872 4.550 -0.000 0.000 0.341 380 Y C -0.273 175.511 175.900 -0.194 0.000 0.965 380 Y CA -1.605 56.379 58.100 -0.194 0.000 1.180 380 Y CB 0.670 38.905 38.460 -0.376 0.000 1.139 380 Y HN 0.693 nan 8.280 nan 0.000 0.502 381 D N 5.152 125.549 120.400 -0.006 0.000 2.508 381 D HA 0.010 4.650 4.640 -0.000 0.000 0.224 381 D C 0.189 176.285 176.300 -0.339 0.000 1.171 381 D CA 0.024 53.926 54.000 -0.162 0.000 1.006 381 D CB -0.117 40.654 40.800 -0.049 0.000 1.073 381 D HN 0.694 nan 8.370 nan 0.000 0.513 382 D N 0.901 120.828 120.400 -0.788 0.000 2.319 382 D HA -0.062 4.578 4.640 -0.000 0.000 0.230 382 D C 0.634 176.724 176.300 -0.350 0.000 1.094 382 D CA -0.253 53.267 54.000 -0.799 0.000 0.856 382 D CB -0.587 39.477 40.800 -1.226 0.000 0.915 382 D HN 0.277 nan 8.370 nan 0.000 0.517 383 T N -2.248 112.161 114.554 -0.242 0.000 2.701 383 T HA 0.052 4.402 4.350 -0.000 0.000 0.303 383 T C 0.294 174.927 174.700 -0.111 0.000 1.030 383 T CA -0.493 61.521 62.100 -0.143 0.000 1.010 383 T CB 0.930 69.737 68.868 -0.100 0.000 1.007 383 T HN -0.122 nan 8.240 nan 0.000 0.532 384 D N 0.528 120.880 120.400 -0.080 0.000 3.071 384 D HA 0.207 4.847 4.640 -0.000 0.000 0.259 384 D C 0.066 176.330 176.300 -0.060 0.000 1.331 384 D CA -0.339 53.623 54.000 -0.064 0.000 0.861 384 D CB -0.152 40.619 40.800 -0.049 0.000 1.059 384 D HN 0.492 nan 8.370 nan 0.000 0.486 385 Q N -0.168 119.587 119.800 -0.075 0.000 2.378 385 Q HA 0.573 4.913 4.340 -0.000 0.000 0.276 385 Q C -0.063 175.876 176.000 -0.102 0.000 1.083 385 Q CA -1.088 54.668 55.803 -0.079 0.000 0.856 385 Q CB 1.883 30.573 28.738 -0.080 0.000 1.383 385 Q HN 0.057 nan 8.270 nan 0.000 0.458 386 R N -0.277 120.160 120.500 -0.105 0.000 2.577 386 R HA 0.330 4.670 4.340 -0.000 0.000 0.269 386 R C 1.049 177.214 176.300 -0.224 0.000 1.084 386 R CA 0.290 56.314 56.100 -0.126 0.000 1.163 386 R CB 0.220 30.469 30.300 -0.085 0.000 1.100 386 R HN 0.807 nan 8.270 nan 0.000 0.547 387 A N 1.257 123.911 122.820 -0.278 0.000 1.917 387 A HA -0.180 4.140 4.320 -0.000 0.000 0.219 387 A C 2.144 179.224 177.584 -0.840 0.000 1.182 387 A CA 2.157 53.840 52.037 -0.591 0.000 0.633 387 A CB -1.387 17.377 19.000 -0.394 0.000 0.819 387 A HN 0.904 nan 8.150 nan 0.000 0.448 388 G N -1.088 107.532 108.800 -0.299 0.000 2.422 388 G HA2 0.093 4.053 3.960 -0.000 0.000 0.218 388 G HA3 0.093 4.053 3.960 -0.000 0.000 0.218 388 G C 1.652 176.513 174.900 -0.064 0.000 1.140 388 G CA 1.246 46.324 45.100 -0.036 0.000 0.775 388 G HN 0.816 nan 8.290 nan 0.000 0.545 389 A N 0.653 123.396 122.820 -0.129 0.000 1.929 389 A HA 0.100 4.420 4.320 -0.000 0.000 0.216 389 A C 2.276 179.800 177.584 -0.100 0.000 1.176 389 A CA 1.650 53.637 52.037 -0.083 0.000 0.628 389 A CB -0.213 18.739 19.000 -0.081 0.000 0.816 389 A HN 0.346 nan 8.150 nan 0.000 0.444 390 K N -1.320 118.945 120.400 -0.225 0.000 2.167 390 K HA 0.004 4.324 4.320 -0.000 0.000 0.203 390 K C 1.532 178.078 176.600 -0.089 0.000 1.052 390 K CA 1.025 57.195 56.287 -0.196 0.000 0.956 390 K CB -0.246 32.083 32.500 -0.285 0.000 0.735 390 K HN 0.444 nan 8.250 nan 0.000 0.451 391 F N 1.299 121.216 119.950 -0.055 0.000 2.146 391 F HA -0.108 4.418 4.527 -0.000 0.000 0.298 391 F C 2.508 178.306 175.800 -0.003 0.000 1.096 391 F CA 0.815 58.790 58.000 -0.042 0.000 1.275 391 F CB -1.154 37.812 39.000 -0.056 0.000 1.008 391 F HN -0.002 nan 8.300 nan 0.000 0.480 392 A N -0.352 122.575 122.820 0.177 0.000 1.883 392 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 392 A C 2.326 179.956 177.584 0.078 0.000 1.186 392 A CA 2.521 54.620 52.037 0.102 0.000 0.624 392 A CB -1.373 17.664 19.000 0.061 0.000 0.822 392 A HN 0.354 nan 8.150 nan 0.000 0.444 393 T N -0.033 114.558 114.554 0.062 0.000 2.737 393 T HA 0.034 4.384 4.350 -0.000 0.000 0.265 393 T C 2.247 177.003 174.700 0.093 0.000 1.038 393 T CA 1.564 63.701 62.100 0.062 0.000 1.144 393 T CB -0.477 68.417 68.868 0.044 0.000 0.866 393 T HN 0.605 nan 8.240 nan 0.000 0.434 394 A N 1.752 124.638 122.820 0.111 0.000 1.908 394 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 394 A C 2.088 179.752 177.584 0.133 0.000 1.181 394 A CA 2.048 54.170 52.037 0.142 0.000 0.627 394 A CB -0.750 18.360 19.000 0.184 0.000 0.818 394 A HN 0.368 nan 8.150 nan 0.000 0.445 395 D N -0.551 119.919 120.400 0.116 0.000 2.077 395 D HA -0.134 4.506 4.640 -0.000 0.000 0.193 395 D C 1.903 178.230 176.300 0.045 0.000 0.989 395 D CA 1.421 55.464 54.000 0.073 0.000 0.831 395 D CB -0.620 40.217 40.800 0.061 0.000 0.979 395 D HN 0.291 nan 8.370 nan 0.000 0.449 396 L N 1.461 122.711 121.223 0.046 0.000 2.010 396 L HA -0.197 4.143 4.340 -0.000 0.000 0.219 396 L C 1.911 178.799 176.870 0.028 0.000 1.077 396 L CA 1.772 56.628 54.840 0.026 0.000 0.773 396 L CB -0.864 41.216 42.059 0.034 0.000 0.892 396 L HN 0.321 nan 8.230 nan 0.000 0.436 397 I N -3.200 117.427 120.570 0.095 0.000 3.646 397 I HA 0.288 4.458 4.170 -0.000 0.000 0.301 397 I C 1.434 177.678 176.117 0.212 0.000 1.276 397 I CA 0.480 61.890 61.300 0.183 0.000 1.254 397 I CB -1.378 36.781 38.000 0.264 0.000 1.020 397 I HN 0.430 nan 8.210 nan 0.000 0.473 398 G N 2.837 111.676 108.800 0.066 0.000 2.321 398 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.287 398 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.287 398 G C 0.340 175.408 174.900 0.280 0.000 1.018 398 G CA 0.262 45.370 45.100 0.012 0.000 0.855 398 G HN 0.519 nan 8.290 nan 0.000 0.507 399 I N -0.310 120.462 120.570 0.336 0.000 2.880 399 I HA -0.047 4.123 4.170 -0.000 0.000 0.296 399 I C -0.221 176.021 176.117 0.208 0.000 1.220 399 I CA -0.995 60.505 61.300 0.334 0.000 1.435 399 I CB 0.016 38.189 38.000 0.288 0.000 1.339 399 I HN -0.026 nan 8.210 nan 0.000 0.583 400 P HA -0.114 nan 4.420 nan 0.000 0.214 400 P C -0.528 176.628 177.300 -0.241 0.000 1.162 400 P CA 1.368 64.447 63.100 -0.035 0.000 0.879 400 P CB 0.163 31.911 31.700 0.080 0.000 0.786 401 W N -0.100 121.267 121.300 0.111 0.000 2.587 401 W HA 0.464 5.124 4.660 0.000 0.000 0.324 401 W C -0.194 176.378 176.519 0.088 0.000 1.040 401 W CA -0.499 56.893 57.345 0.078 0.000 1.222 401 W CB 1.006 30.502 29.460 0.059 0.000 1.381 401 W HN -0.197 nan 8.180 nan 0.000 0.483 402 Q N 3.248 123.216 119.800 0.280 0.000 2.322 402 Q HA 0.566 4.906 4.340 -0.000 0.000 0.265 402 Q C -0.621 175.470 176.000 0.152 0.000 0.985 402 Q CA -0.756 55.190 55.803 0.237 0.000 0.849 402 Q CB 2.200 31.105 28.738 0.278 0.000 1.274 402 Q HN 0.414 nan 8.270 nan 0.000 0.449 403 I N 2.546 123.235 120.570 0.199 0.000 2.354 403 I HA 0.274 4.444 4.170 -0.000 0.000 0.292 403 I C -0.331 175.964 176.117 0.296 0.000 0.989 403 I CA -0.571 60.814 61.300 0.141 0.000 1.188 403 I CB 0.974 39.034 38.000 0.101 0.000 1.342 403 I HN 0.521 nan 8.210 nan 0.000 0.457 404 H N 5.101 124.251 119.070 0.132 0.000 2.504 404 H HA 0.500 5.056 4.556 -0.000 0.000 0.322 404 H C -0.907 174.480 175.328 0.100 0.000 1.055 404 H CA -0.998 55.142 56.048 0.152 0.000 1.231 404 H CB 1.980 31.870 29.762 0.214 0.000 1.417 404 H HN 0.235 nan 8.280 nan 0.000 0.472 405 V N 3.288 123.317 119.914 0.192 0.000 2.409 405 V HA 0.617 4.737 4.120 -0.000 0.000 0.291 405 V C 0.354 176.500 176.094 0.087 0.000 1.020 405 V CA -0.552 61.813 62.300 0.108 0.000 0.848 405 V CB 1.586 33.443 31.823 0.056 0.000 0.990 405 V HN 0.990 nan 8.190 nan 0.000 0.430 406 G N 4.275 113.122 108.800 0.078 0.000 2.718 406 G HA2 0.602 4.562 3.960 -0.000 0.000 0.295 406 G HA3 0.602 4.562 3.960 -0.000 0.000 0.295 406 G C -2.481 172.447 174.900 0.047 0.000 1.421 406 G CA -1.116 44.020 45.100 0.059 0.000 0.902 406 G HN 0.438 nan 8.290 nan 0.000 0.501 407 P HA -0.296 nan 4.420 nan 0.000 0.218 407 P C 1.968 179.286 177.300 0.029 0.000 1.132 407 P CA 2.264 65.380 63.100 0.028 0.000 0.968 407 P CB 0.088 31.802 31.700 0.023 0.000 0.783 408 R N -1.090 119.431 120.500 0.034 0.000 2.153 408 R HA 0.069 4.409 4.340 -0.000 0.000 0.218 408 R C 2.373 178.693 176.300 0.034 0.000 1.072 408 R CA 1.722 57.842 56.100 0.032 0.000 0.990 408 R CB -1.622 28.698 30.300 0.033 0.000 0.889 408 R HN 0.188 nan 8.270 nan 0.000 0.452 409 G N 2.261 111.087 108.800 0.043 0.000 2.414 409 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.215 409 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.215 409 G C 1.390 176.309 174.900 0.032 0.000 1.188 409 G CA 0.509 45.634 45.100 0.042 0.000 0.783 409 G HN 0.253 nan 8.290 nan 0.000 0.537 410 L N 1.411 122.653 121.223 0.032 0.000 2.275 410 L HA 0.230 4.570 4.340 -0.000 0.000 0.215 410 L C 2.885 179.766 176.870 0.017 0.000 1.119 410 L CA 1.731 56.585 54.840 0.023 0.000 0.790 410 L CB -0.402 41.671 42.059 0.022 0.000 0.919 410 L HN 0.220 nan 8.230 nan 0.000 0.443 411 A N -1.085 121.746 122.820 0.018 0.000 2.070 411 A HA -0.170 4.150 4.320 -0.000 0.000 0.220 411 A C 2.112 179.703 177.584 0.013 0.000 1.159 411 A CA 1.723 53.769 52.037 0.015 0.000 0.656 411 A CB -0.390 18.619 19.000 0.015 0.000 0.800 411 A HN 0.610 nan 8.150 nan 0.000 0.453 412 E N -2.379 117.830 120.200 0.014 0.000 2.476 412 E HA 0.311 4.661 4.350 -0.000 0.000 0.199 412 E C 0.999 177.606 176.600 0.010 0.000 1.021 412 E CA 0.374 56.782 56.400 0.012 0.000 0.907 412 E CB 0.324 30.033 29.700 0.014 0.000 0.974 412 E HN 0.670 nan 8.360 nan 0.000 0.489 413 G N 2.010 110.817 108.800 0.011 0.000 2.163 413 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.213 413 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.213 413 G C -0.046 174.858 174.900 0.008 0.000 0.991 413 G CA 0.259 45.364 45.100 0.007 0.000 0.653 413 G HN 0.236 nan 8.290 nan 0.000 0.518 414 K N -0.407 120.001 120.400 0.014 0.000 2.375 414 K HA 0.854 5.174 4.320 -0.000 0.000 0.249 414 K C 0.218 176.834 176.600 0.027 0.000 0.942 414 K CA -0.568 55.729 56.287 0.016 0.000 0.806 414 K CB 3.168 35.677 32.500 0.015 0.000 1.227 414 K HN 0.722 nan 8.250 nan 0.000 0.430 415 V N -2.063 117.868 119.914 0.027 0.000 3.352 415 V HA 0.566 4.686 4.120 -0.000 0.000 0.299 415 V C -0.577 175.541 176.094 0.041 0.000 1.228 415 V CA -0.755 61.572 62.300 0.045 0.000 1.017 415 V CB 1.417 33.266 31.823 0.042 0.000 1.237 415 V HN 1.035 nan 8.190 nan 0.000 0.472 416 E N -0.088 120.139 120.200 0.045 0.000 2.248 416 E HA 0.574 4.924 4.350 -0.000 0.000 0.267 416 E C -2.073 174.477 176.600 -0.083 0.000 0.877 416 E CA -0.883 55.512 56.400 -0.009 0.000 0.759 416 E CB 2.207 31.912 29.700 0.008 0.000 1.182 416 E HN 0.750 nan 8.360 nan 0.000 0.418 417 L N 4.314 125.503 121.223 -0.056 0.000 2.298 417 L HA 0.462 4.802 4.340 -0.000 0.000 0.284 417 L C -1.196 175.680 176.870 0.009 0.000 1.013 417 L CA -0.273 54.567 54.840 -0.000 0.000 0.824 417 L CB 1.093 43.192 42.059 0.066 0.000 1.221 417 L HN 0.480 nan 8.230 nan 0.000 0.418 418 K N 5.117 125.487 120.400 -0.049 0.000 2.339 418 K HA 0.405 4.725 4.320 -0.000 0.000 0.264 418 K C -0.519 176.080 176.600 -0.003 0.000 0.986 418 K CA -0.759 55.495 56.287 -0.056 0.000 0.866 418 K CB 0.929 33.326 32.500 -0.172 0.000 1.103 418 K HN 0.703 nan 8.250 nan 0.000 0.441 419 R N 3.579 123.998 120.500 -0.134 0.000 2.316 419 R HA 0.043 4.383 4.340 -0.000 0.000 0.314 419 R C 0.983 177.068 176.300 -0.360 0.000 1.069 419 R CA -0.109 55.648 56.100 -0.571 0.000 0.959 419 R CB 0.642 30.511 30.300 -0.717 0.000 0.987 419 R HN 0.651 nan 8.270 nan 0.000 0.446 420 R N 2.988 123.277 120.500 -0.352 0.000 2.092 420 R HA -0.075 4.265 4.340 -0.000 0.000 0.231 420 R C 1.243 177.442 176.300 -0.169 0.000 1.119 420 R CA 2.108 58.097 56.100 -0.184 0.000 0.970 420 R CB -0.336 29.894 30.300 -0.117 0.000 0.864 420 R HN 0.798 nan 8.270 nan 0.000 0.440 421 S N 0.827 116.400 115.700 -0.211 0.000 2.433 421 S HA -0.244 4.226 4.470 -0.000 0.000 0.270 421 S C 1.245 175.773 174.600 -0.121 0.000 1.068 421 S CA 2.111 60.219 58.200 -0.154 0.000 1.375 421 S CB -0.539 62.563 63.200 -0.163 0.000 1.255 421 S HN 0.751 nan 8.310 nan 0.000 0.442 422 D N -0.636 119.693 120.400 -0.120 0.000 2.366 422 D HA 0.215 4.855 4.640 -0.000 0.000 0.205 422 D C 1.240 177.491 176.300 -0.081 0.000 1.022 422 D CA 0.921 54.869 54.000 -0.087 0.000 0.868 422 D CB -0.083 40.675 40.800 -0.070 0.000 0.953 422 D HN 0.668 nan 8.370 nan 0.000 0.514 423 G N 1.082 109.823 108.800 -0.100 0.000 2.132 423 G HA2 -0.124 3.835 3.960 -0.000 0.000 0.234 423 G HA3 -0.124 3.835 3.960 -0.000 0.000 0.234 423 G C 0.387 175.245 174.900 -0.070 0.000 0.989 423 G CA 0.035 45.084 45.100 -0.085 0.000 0.676 423 G HN 0.727 nan 8.290 nan 0.000 0.522 424 A N -0.092 122.688 122.820 -0.066 0.000 2.388 424 A HA 0.802 5.122 4.320 -0.000 0.000 0.257 424 A C 0.746 178.316 177.584 -0.023 0.000 1.095 424 A CA 0.133 52.148 52.037 -0.036 0.000 0.791 424 A CB 0.413 19.402 19.000 -0.018 0.000 1.029 424 A HN 0.619 nan 8.150 nan 0.000 0.489 425 R N 1.106 121.596 120.500 -0.016 0.000 2.787 425 R HA 0.639 4.979 4.340 -0.000 0.000 0.271 425 R C -1.137 175.169 176.300 0.010 0.000 0.993 425 R CA -0.643 55.448 56.100 -0.014 0.000 0.993 425 R CB 1.704 31.984 30.300 -0.033 0.000 1.155 425 R HN 0.811 nan 8.270 nan 0.000 0.486 426 E N 0.666 120.875 120.200 0.015 0.000 2.308 426 E HA 0.224 4.574 4.350 -0.000 0.000 0.275 426 E C -1.281 175.325 176.600 0.010 0.000 0.890 426 E CA -0.798 55.612 56.400 0.018 0.000 0.754 426 E CB 2.236 31.953 29.700 0.029 0.000 1.207 426 E HN 0.371 nan 8.360 nan 0.000 0.426 427 N N 2.780 121.487 118.700 0.012 0.000 2.430 427 N HA 0.290 5.030 4.740 -0.000 0.000 0.265 427 N C -1.023 174.493 175.510 0.011 0.000 1.100 427 N CA 0.009 53.068 53.050 0.015 0.000 0.961 427 N CB 0.513 39.011 38.487 0.019 0.000 1.075 427 N HN 0.300 nan 8.380 nan 0.000 0.478 428 L N -0.071 121.157 121.223 0.008 0.000 2.720 428 L HA 0.715 5.055 4.340 -0.000 0.000 0.261 428 L C -0.593 176.277 176.870 -0.000 0.000 1.046 428 L CA -1.318 53.523 54.840 0.002 0.000 0.886 428 L CB 0.319 42.375 42.059 -0.005 0.000 1.493 428 L HN 0.332 nan 8.230 nan 0.000 0.407 429 A N 0.370 123.187 122.820 -0.005 0.000 2.425 429 A HA 0.458 4.778 4.320 -0.000 0.000 0.242 429 A C 0.975 178.553 177.584 -0.010 0.000 1.077 429 A CA 0.241 52.274 52.037 -0.005 0.000 0.781 429 A CB 0.052 19.047 19.000 -0.007 0.000 1.020 429 A HN 1.071 nan 8.150 nan 0.000 0.494 430 L N 2.303 123.521 121.223 -0.008 0.000 2.141 430 L HA -0.037 4.303 4.340 -0.000 0.000 0.209 430 L C 2.485 179.343 176.870 -0.019 0.000 1.094 430 L CA 2.572 57.405 54.840 -0.011 0.000 0.763 430 L CB -0.703 41.351 42.059 -0.008 0.000 0.908 430 L HN 0.803 nan 8.230 nan 0.000 0.437 431 A N -0.283 122.526 122.820 -0.018 0.000 1.828 431 A HA -0.275 4.045 4.320 -0.000 0.000 0.215 431 A C 1.892 179.459 177.584 -0.028 0.000 1.203 431 A CA 1.998 54.022 52.037 -0.022 0.000 0.614 431 A CB -1.239 17.750 19.000 -0.018 0.000 0.844 431 A HN 0.494 nan 8.150 nan 0.000 0.445 432 D N -0.883 119.500 120.400 -0.028 0.000 2.303 432 D HA -0.233 4.407 4.640 -0.000 0.000 0.190 432 D C 1.820 178.091 176.300 -0.049 0.000 1.011 432 D CA 2.250 56.228 54.000 -0.035 0.000 0.860 432 D CB -0.645 40.137 40.800 -0.030 0.000 0.961 432 D HN 0.151 nan 8.370 nan 0.000 0.453 433 V N 0.130 120.016 119.914 -0.047 0.000 2.252 433 V HA -0.324 3.796 4.120 -0.000 0.000 0.255 433 V C 2.259 178.304 176.094 -0.082 0.000 1.071 433 V CA 2.072 64.334 62.300 -0.063 0.000 1.050 433 V CB -0.491 31.307 31.823 -0.043 0.000 0.654 433 V HN 0.182 nan 8.190 nan 0.000 0.448 434 V N 0.092 119.967 119.914 -0.066 0.000 2.332 434 V HA -0.270 3.849 4.120 -0.000 0.000 0.248 434 V C 2.728 178.773 176.094 -0.081 0.000 1.055 434 V CA 2.341 64.599 62.300 -0.070 0.000 1.038 434 V CB -1.339 30.450 31.823 -0.055 0.000 0.651 434 V HN 0.716 nan 8.190 nan 0.000 0.450 435 A N -0.155 122.622 122.820 -0.071 0.000 1.858 435 A HA -0.271 4.049 4.320 -0.000 0.000 0.216 435 A C 2.384 179.913 177.584 -0.093 0.000 1.190 435 A CA 2.126 54.121 52.037 -0.070 0.000 0.617 435 A CB -0.599 18.368 19.000 -0.054 0.000 0.827 435 A HN 0.463 nan 8.150 nan 0.000 0.443 436 R N -0.800 119.636 120.500 -0.108 0.000 2.152 436 R HA -0.026 4.314 4.340 -0.000 0.000 0.232 436 R C 1.872 178.039 176.300 -0.222 0.000 1.117 436 R CA 1.108 57.123 56.100 -0.141 0.000 0.981 436 R CB -0.301 29.918 30.300 -0.135 0.000 0.870 436 R HN 0.573 nan 8.270 nan 0.000 0.451 437 L N -0.308 120.772 121.223 -0.237 0.000 2.062 437 L HA -0.027 4.313 4.340 -0.000 0.000 0.202 437 L C 1.463 178.203 176.870 -0.217 0.000 1.079 437 L CA 0.961 55.609 54.840 -0.320 0.000 0.755 437 L CB -0.804 41.081 42.059 -0.290 0.000 0.913 437 L HN 0.311 nan 8.230 nan 0.000 0.445 438 T N 0.000 114.471 114.554 -0.138 0.000 3.816 438 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 438 T CA 0.000 62.046 62.100 -0.090 0.000 1.349 438 T CB 0.000 68.827 68.868 -0.068 0.000 0.612 438 T HN 0.000 nan 8.240 nan 0.000 0.658