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 3e4b_1_A DATA FIRST_RESID 6 DATA SEQUENCE DQRLANEALK RGDTVTAQQN YQQLAELGYS EAQVGLAXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXAQARL GRLLAAKXXA TEAEHHEAES LLKKAFANGE DATA SEQUENCE GNTLIPLAML YLQYPHSFPN VNAQQQISQW QAAGYPEAGL AQVLLYRTQG DATA SEQUENCE TYDQHLDDVE RIcKAALNTT DIcYVELATV YQKKQQPEQQ AELLKQMEAG DATA SEQUENCE VSRGTVTAQR VDSVARVLGD ATLGTPDEKT AQALLEKIAP GYPASWVSLA DATA SEQUENCE QLLYDFPELG DVEQMMKYLD NGRAADQPRA ELLLGKLYYE GKWVPADAKA DATA SEQUENCE AEAHFEKAVG REVAADYYLG QIYRRGYLGK VYPQKALDHL LTAARNGQNS DATA SEQUENCE ADFAIAQLFS QGKGTKPDPL NAYVFSQLAK AQDTPEANDL ATQLEAPLTP DATA SEQUENCE AQRAEGQRLV QQELAARGTL XXXXLQLHA 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 6 D HA 0.000 nan 4.640 nan 0.000 0.175 6 D C 0.000 176.298 176.300 -0.003 0.000 2.045 6 D CA 0.000 53.999 54.000 -0.002 0.000 0.868 6 D CB 0.000 40.798 40.800 -0.003 0.000 0.688 7 Q N -0.897 118.902 119.800 -0.002 0.000 2.482 7 Q HA 0.349 4.688 4.340 -0.001 0.000 0.209 7 Q C 2.289 178.286 176.000 -0.005 0.000 0.961 7 Q CA 2.140 57.942 55.803 -0.003 0.000 0.945 7 Q CB -0.823 27.916 28.738 0.002 0.000 1.012 7 Q HN 1.309 nan 8.270 nan 0.000 0.515 8 R N -0.417 120.080 120.500 -0.005 0.000 2.061 8 R HA 0.105 4.445 4.340 -0.001 0.000 0.230 8 R C 2.568 178.861 176.300 -0.011 0.000 1.140 8 R CA 1.647 57.743 56.100 -0.007 0.000 0.940 8 R CB -1.305 28.992 30.300 -0.006 0.000 0.839 8 R HN 0.592 nan 8.270 nan 0.000 0.429 9 L N 0.143 121.359 121.223 -0.012 0.000 2.095 9 L HA 0.202 4.542 4.340 -0.001 0.000 0.204 9 L C 3.279 180.133 176.870 -0.026 0.000 1.080 9 L CA 1.171 56.001 54.840 -0.017 0.000 0.759 9 L CB -1.269 40.782 42.059 -0.014 0.000 0.914 9 L HN 0.799 nan 8.230 nan 0.000 0.439 10 A N -0.508 122.297 122.820 -0.024 0.000 1.997 10 A HA -0.257 4.062 4.320 -0.001 0.000 0.221 10 A C 1.986 179.539 177.584 -0.052 0.000 1.172 10 A CA 2.080 54.096 52.037 -0.034 0.000 0.645 10 A CB -0.652 18.334 19.000 -0.023 0.000 0.813 10 A HN 0.630 nan 8.150 nan 0.000 0.454 11 N N -1.074 117.604 118.700 -0.037 0.000 2.398 11 N HA 0.082 4.821 4.740 -0.001 0.000 0.188 11 N C 1.415 176.898 175.510 -0.044 0.000 1.122 11 N CA 1.043 54.071 53.050 -0.038 0.000 0.866 11 N CB 0.271 38.753 38.487 -0.008 0.000 0.970 11 N HN 0.797 nan 8.380 nan 0.000 0.462 12 E N 0.502 120.675 120.200 -0.045 0.000 2.206 12 E HA 0.283 4.633 4.350 -0.001 0.000 0.195 12 E C 1.936 178.502 176.600 -0.057 0.000 0.935 12 E CA 0.577 56.953 56.400 -0.040 0.000 0.875 12 E CB -0.553 29.130 29.700 -0.028 0.000 0.841 12 E HN 0.245 nan 8.360 nan 0.000 0.477 13 A N 0.691 123.472 122.820 -0.066 0.000 1.933 13 A HA 0.050 4.370 4.320 -0.001 0.000 0.218 13 A C 2.443 179.956 177.584 -0.119 0.000 1.175 13 A CA 1.415 53.406 52.037 -0.077 0.000 0.628 13 A CB -0.468 18.490 19.000 -0.070 0.000 0.814 13 A HN 0.427 nan 8.150 nan 0.000 0.444 14 L N -0.888 120.226 121.223 -0.181 0.000 2.056 14 L HA -0.189 4.151 4.340 -0.001 0.000 0.207 14 L C 2.520 179.224 176.870 -0.276 0.000 1.078 14 L CA 1.708 56.327 54.840 -0.368 0.000 0.749 14 L CB -0.403 41.292 42.059 -0.607 0.000 0.901 14 L HN 0.341 nan 8.230 nan 0.000 0.433 15 K N -0.425 119.898 120.400 -0.129 0.000 2.211 15 K HA -0.106 4.213 4.320 -0.001 0.000 0.203 15 K C 2.136 178.735 176.600 -0.001 0.000 1.050 15 K CA 0.871 57.140 56.287 -0.030 0.000 0.945 15 K CB -0.019 32.463 32.500 -0.029 0.000 0.732 15 K HN 0.232 nan 8.250 nan 0.000 0.451 16 R N -0.338 120.147 120.500 -0.024 0.000 2.240 16 R HA 0.003 4.343 4.340 -0.001 0.000 0.203 16 R C 2.131 178.434 176.300 0.006 0.000 1.011 16 R CA 0.806 56.905 56.100 -0.001 0.000 1.007 16 R CB 0.158 30.446 30.300 -0.020 0.000 0.911 16 R HN 0.256 nan 8.270 nan 0.000 0.468 17 G N 0.595 109.381 108.800 -0.023 0.000 2.494 17 G HA2 -0.162 3.798 3.960 -0.001 0.000 0.216 17 G HA3 -0.162 3.798 3.960 -0.001 0.000 0.216 17 G C 0.826 175.743 174.900 0.028 0.000 1.140 17 G CA 0.179 45.267 45.100 -0.020 0.000 0.801 17 G HN 0.137 nan 8.290 nan 0.000 0.536 18 D N 0.689 121.135 120.400 0.076 0.000 2.117 18 D HA -0.065 4.575 4.640 -0.001 0.000 0.198 18 D C 2.692 179.077 176.300 0.141 0.000 0.982 18 D CA 1.245 55.324 54.000 0.130 0.000 0.828 18 D CB -0.491 40.454 40.800 0.243 0.000 0.967 18 D HN 0.145 nan 8.370 nan 0.000 0.464 19 T N 0.783 115.462 114.554 0.208 0.000 2.665 19 T HA -0.151 4.199 4.350 -0.001 0.000 0.268 19 T C 2.207 176.995 174.700 0.146 0.000 1.035 19 T CA 1.969 64.218 62.100 0.248 0.000 1.151 19 T CB -0.353 68.620 68.868 0.175 0.000 0.862 19 T HN 0.177 nan 8.240 nan 0.000 0.438 20 V N -0.148 119.813 119.914 0.078 0.000 2.453 20 V HA -0.075 4.044 4.120 -0.001 0.000 0.247 20 V C 2.329 178.439 176.094 0.027 0.000 1.048 20 V CA 1.895 64.224 62.300 0.048 0.000 1.049 20 V CB -1.523 30.312 31.823 0.020 0.000 0.672 20 V HN 0.354 nan 8.190 nan 0.000 0.457 21 T N 0.999 115.558 114.554 0.009 0.000 2.867 21 T HA 0.047 4.396 4.350 -0.001 0.000 0.268 21 T C 2.097 176.749 174.700 -0.081 0.000 1.057 21 T CA 1.743 63.823 62.100 -0.032 0.000 1.136 21 T CB -0.410 68.438 68.868 -0.032 0.000 0.874 21 T HN 0.764 nan 8.240 nan 0.000 0.466 22 A N 1.072 123.844 122.820 -0.080 0.000 1.897 22 A HA -0.096 4.223 4.320 -0.001 0.000 0.215 22 A C 2.258 179.811 177.584 -0.053 0.000 1.181 22 A CA 1.515 53.441 52.037 -0.184 0.000 0.620 22 A CB -0.635 18.246 19.000 -0.199 0.000 0.821 22 A HN 0.518 nan 8.150 nan 0.000 0.443 23 Q N -0.874 118.991 119.800 0.109 0.000 2.061 23 Q HA -0.246 4.094 4.340 -0.001 0.000 0.204 23 Q C 2.136 178.194 176.000 0.096 0.000 0.984 23 Q CA 1.691 57.605 55.803 0.185 0.000 0.846 23 Q CB -0.164 28.653 28.738 0.130 0.000 0.902 23 Q HN 0.616 nan 8.270 nan 0.000 0.421 24 Q N 0.397 120.206 119.800 0.016 0.000 2.124 24 Q HA -0.147 4.193 4.340 -0.001 0.000 0.202 24 Q C 1.600 177.567 176.000 -0.054 0.000 0.977 24 Q CA 1.601 57.394 55.803 -0.017 0.000 0.850 24 Q CB -0.431 28.286 28.738 -0.035 0.000 0.901 24 Q HN 0.562 nan 8.270 nan 0.000 0.429 25 N N -0.601 118.019 118.700 -0.133 0.000 2.166 25 N HA -0.160 4.580 4.740 -0.001 0.000 0.186 25 N C 1.580 176.955 175.510 -0.225 0.000 1.019 25 N CA 0.735 53.651 53.050 -0.223 0.000 0.856 25 N CB -0.098 38.176 38.487 -0.355 0.000 0.993 25 N HN 0.174 nan 8.380 nan 0.000 0.426 26 Y N 1.676 121.938 120.300 -0.063 0.000 2.089 26 Y HA -0.162 4.387 4.550 -0.001 0.000 0.282 26 Y C 2.539 178.420 175.900 -0.031 0.000 1.139 26 Y CA 1.138 59.209 58.100 -0.049 0.000 1.123 26 Y CB -0.666 37.780 38.460 -0.023 0.000 0.980 26 Y HN 0.068 nan 8.280 nan 0.000 0.493 27 Q N -0.214 119.672 119.800 0.142 0.000 2.112 27 Q HA -0.297 4.043 4.340 -0.001 0.000 0.206 27 Q C 2.123 178.148 176.000 0.042 0.000 0.987 27 Q CA 2.132 57.981 55.803 0.076 0.000 0.858 27 Q CB -0.259 28.506 28.738 0.045 0.000 0.905 27 Q HN 0.622 nan 8.270 nan 0.000 0.420 28 Q N -0.210 119.593 119.800 0.005 0.000 2.230 28 Q HA -0.079 4.261 4.340 -0.001 0.000 0.202 28 Q C 1.991 177.993 176.000 0.004 0.000 0.963 28 Q CA 0.735 56.531 55.803 -0.011 0.000 0.866 28 Q CB 0.103 28.813 28.738 -0.047 0.000 0.931 28 Q HN 0.381 nan 8.270 nan 0.000 0.452 29 L N -0.128 121.088 121.223 -0.012 0.000 2.131 29 L HA -0.044 4.296 4.340 -0.001 0.000 0.206 29 L C 2.461 179.427 176.870 0.160 0.000 1.087 29 L CA 0.736 55.575 54.840 -0.003 0.000 0.767 29 L CB -0.448 41.489 42.059 -0.204 0.000 0.917 29 L HN 0.172 nan 8.230 nan 0.000 0.441 30 A N -0.365 122.531 122.820 0.127 0.000 1.877 30 A HA -0.186 4.134 4.320 -0.001 0.000 0.216 30 A C 2.235 179.883 177.584 0.107 0.000 1.186 30 A CA 1.350 53.465 52.037 0.130 0.000 0.620 30 A CB -0.362 18.700 19.000 0.102 0.000 0.822 30 A HN 0.275 nan 8.150 nan 0.000 0.443 31 E N -0.435 119.813 120.200 0.080 0.000 2.085 31 E HA -0.182 4.167 4.350 -0.001 0.000 0.194 31 E C 1.894 178.537 176.600 0.072 0.000 0.994 31 E CA 1.054 57.491 56.400 0.062 0.000 0.801 31 E CB -0.456 29.267 29.700 0.039 0.000 0.743 31 E HN 0.450 nan 8.360 nan 0.000 0.453 32 L N -0.724 120.557 121.223 0.096 0.000 2.201 32 L HA -0.054 4.285 4.340 -0.001 0.000 0.212 32 L C 1.569 178.493 176.870 0.091 0.000 1.105 32 L CA 2.117 57.022 54.840 0.107 0.000 0.775 32 L CB -0.142 42.019 42.059 0.170 0.000 0.913 32 L HN 0.318 nan 8.230 nan 0.000 0.440 33 G N -3.967 104.900 108.800 0.112 0.000 2.367 33 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.181 33 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.181 33 G C 0.041 174.956 174.900 0.025 0.000 1.000 33 G CA -0.163 44.959 45.100 0.037 0.000 0.693 33 G HN 0.165 nan 8.290 nan 0.000 0.480 34 Y N 3.085 123.402 120.300 0.027 0.000 2.712 34 Y HA 0.356 4.906 4.550 -0.001 0.000 0.333 34 Y C 1.614 177.536 175.900 0.036 0.000 1.225 34 Y CA 0.872 58.992 58.100 0.033 0.000 1.499 34 Y CB 0.733 39.217 38.460 0.039 0.000 1.288 34 Y HN 0.387 nan 8.280 nan 0.000 0.575 35 S N 1.473 117.264 115.700 0.152 0.000 2.661 35 S HA 0.180 4.650 4.470 -0.001 0.000 0.265 35 S C 0.869 175.543 174.600 0.124 0.000 1.225 35 S CA -0.636 57.626 58.200 0.105 0.000 0.986 35 S CB 1.003 64.237 63.200 0.057 0.000 1.008 35 S HN 0.753 nan 8.310 nan 0.000 0.565 36 E N 0.466 120.711 120.200 0.076 0.000 2.107 36 E HA -0.068 4.282 4.350 -0.001 0.000 0.191 36 E C 2.323 178.958 176.600 0.058 0.000 0.982 36 E CA 0.981 57.415 56.400 0.057 0.000 0.809 36 E CB -0.470 29.239 29.700 0.015 0.000 0.756 36 E HN 0.751 nan 8.360 nan 0.000 0.459 37 A N 1.671 124.521 122.820 0.050 0.000 1.883 37 A HA -0.277 4.042 4.320 -0.001 0.000 0.217 37 A C 2.065 179.688 177.584 0.066 0.000 1.186 37 A CA 1.572 53.633 52.037 0.040 0.000 0.624 37 A CB -0.562 18.455 19.000 0.027 0.000 0.822 37 A HN 0.178 nan 8.150 nan 0.000 0.444 38 Q N -0.510 119.354 119.800 0.107 0.000 2.364 38 Q HA -0.051 4.288 4.340 -0.001 0.000 0.209 38 Q C 1.457 177.568 176.000 0.185 0.000 0.977 38 Q CA 1.429 57.334 55.803 0.171 0.000 0.885 38 Q CB -0.227 28.661 28.738 0.251 0.000 0.941 38 Q HN 0.744 nan 8.270 nan 0.000 0.464 39 V N -4.571 115.434 119.914 0.151 0.000 3.376 39 V HA 0.505 4.624 4.120 -0.001 0.000 0.313 39 V C 0.806 176.978 176.094 0.129 0.000 1.393 39 V CA 0.169 62.541 62.300 0.120 0.000 1.125 39 V CB -0.098 31.829 31.823 0.174 0.000 1.037 39 V HN 0.251 nan 8.190 nan 0.000 0.440 40 G N 1.304 110.152 108.800 0.080 0.000 2.225 40 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.264 40 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.264 40 G C -0.282 174.642 174.900 0.040 0.000 1.060 40 G CA 0.465 45.594 45.100 0.048 0.000 0.833 40 G HN 0.597 nan 8.290 nan 0.000 0.498 41 L N 0.087 121.323 121.223 0.022 0.000 3.083 41 L HA 0.783 5.123 4.340 -0.001 0.000 0.286 41 L C 0.694 177.550 176.870 -0.024 0.000 1.307 41 L CA 0.740 55.564 54.840 -0.026 0.000 0.897 41 L CB 0.469 42.476 42.059 -0.086 0.000 1.306 41 L HN 0.872 nan 8.230 nan 0.000 0.569 72 Q N 0.621 120.410 119.800 -0.018 0.000 2.291 72 Q HA 0.062 4.402 4.340 -0.001 0.000 0.205 72 Q C 2.134 178.119 176.000 -0.025 0.000 0.970 72 Q CA 1.290 57.083 55.803 -0.017 0.000 0.876 72 Q CB -0.177 28.552 28.738 -0.014 0.000 0.935 72 Q HN 0.707 nan 8.270 nan 0.000 0.455 73 A N 1.847 124.649 122.820 -0.030 0.000 1.835 73 A HA -0.189 4.131 4.320 -0.001 0.000 0.215 73 A C 2.114 179.676 177.584 -0.036 0.000 1.199 73 A CA 1.094 53.108 52.037 -0.039 0.000 0.615 73 A CB -0.399 18.575 19.000 -0.042 0.000 0.838 73 A HN 0.137 nan 8.150 nan 0.000 0.444 74 R N -1.018 119.464 120.500 -0.031 0.000 2.096 74 R HA -0.172 4.168 4.340 -0.001 0.000 0.240 74 R C 2.152 178.435 176.300 -0.028 0.000 1.139 74 R CA 1.677 57.760 56.100 -0.028 0.000 0.952 74 R CB -1.163 29.123 30.300 -0.024 0.000 0.854 74 R HN 0.527 nan 8.270 nan 0.000 0.436 75 L N 0.320 121.528 121.223 -0.025 0.000 1.994 75 L HA -0.030 4.309 4.340 -0.001 0.000 0.208 75 L C 2.243 179.098 176.870 -0.026 0.000 1.071 75 L CA 2.326 57.151 54.840 -0.024 0.000 0.745 75 L CB -1.194 40.853 42.059 -0.019 0.000 0.892 75 L HN 0.234 nan 8.230 nan 0.000 0.431 76 G N -1.226 107.559 108.800 -0.024 0.000 2.479 76 G HA2 -0.301 3.659 3.960 -0.001 0.000 0.220 76 G HA3 -0.301 3.659 3.960 -0.001 0.000 0.220 76 G C 1.830 176.713 174.900 -0.028 0.000 1.115 76 G CA 0.877 45.963 45.100 -0.024 0.000 0.757 76 G HN 0.417 nan 8.290 nan 0.000 0.560 77 R N -0.481 120.000 120.500 -0.032 0.000 2.090 77 R HA 0.266 4.606 4.340 -0.001 0.000 0.219 77 R C 2.445 178.730 176.300 -0.025 0.000 1.100 77 R CA 0.513 56.595 56.100 -0.029 0.000 0.991 77 R CB -0.345 29.934 30.300 -0.035 0.000 0.893 77 R HN 0.354 nan 8.270 nan 0.000 0.443 78 L N 0.966 122.171 121.223 -0.031 0.000 2.013 78 L HA -0.210 4.129 4.340 -0.001 0.000 0.212 78 L C 1.877 178.722 176.870 -0.041 0.000 1.073 78 L CA 1.566 56.385 54.840 -0.035 0.000 0.753 78 L CB -0.247 41.791 42.059 -0.034 0.000 0.890 78 L HN 0.284 nan 8.230 nan 0.000 0.432 79 L N -0.196 121.000 121.223 -0.045 0.000 2.046 79 L HA -0.175 4.165 4.340 -0.001 0.000 0.208 79 L C 2.899 179.722 176.870 -0.078 0.000 1.077 79 L CA 1.146 55.943 54.840 -0.071 0.000 0.747 79 L CB -0.963 41.056 42.059 -0.068 0.000 0.896 79 L HN 0.386 nan 8.230 nan 0.000 0.432 80 A N -0.051 122.758 122.820 -0.019 0.000 2.024 80 A HA -0.088 4.231 4.320 -0.001 0.000 0.220 80 A C 2.138 179.801 177.584 0.132 0.000 1.164 80 A CA 1.818 53.892 52.037 0.061 0.000 0.643 80 A CB -0.433 18.608 19.000 0.069 0.000 0.806 80 A HN 0.430 nan 8.150 nan 0.000 0.451 81 A N -1.341 121.515 122.820 0.060 0.000 2.430 81 A HA 0.360 4.680 4.320 -0.001 0.000 0.243 81 A C 0.949 178.530 177.584 -0.005 0.000 1.254 81 A CA 0.117 52.189 52.037 0.057 0.000 0.914 81 A CB -0.164 18.823 19.000 -0.022 0.000 0.998 81 A HN 0.463 nan 8.150 nan 0.000 0.515 86 T N -1.574 112.864 114.554 -0.193 0.000 2.868 86 T HA 0.415 4.764 4.350 -0.001 0.000 0.292 86 T C 0.818 175.490 174.700 -0.046 0.000 1.028 86 T CA 0.568 62.618 62.100 -0.084 0.000 1.059 86 T CB 1.152 69.989 68.868 -0.053 0.000 0.991 86 T HN 0.859 nan 8.240 nan 0.000 0.531 87 E N 0.488 120.722 120.200 0.055 0.000 2.463 87 E HA -0.076 4.273 4.350 -0.001 0.000 0.201 87 E C 1.916 178.573 176.600 0.095 0.000 1.045 87 E CA 0.783 57.228 56.400 0.075 0.000 0.872 87 E CB -0.514 29.213 29.700 0.045 0.000 0.797 87 E HN 0.798 nan 8.360 nan 0.000 0.538 88 A N 0.605 123.459 122.820 0.057 0.000 1.935 88 A HA -0.060 4.259 4.320 -0.001 0.000 0.214 88 A C 1.787 179.392 177.584 0.036 0.000 1.178 88 A CA 0.789 52.876 52.037 0.083 0.000 0.640 88 A CB -0.091 18.931 19.000 0.037 0.000 0.825 88 A HN 0.261 nan 8.150 nan 0.000 0.447 89 E N -0.791 119.365 120.200 -0.073 0.000 2.152 89 E HA -0.129 4.221 4.350 -0.001 0.000 0.192 89 E C 1.749 178.256 176.600 -0.155 0.000 0.983 89 E CA 0.825 57.144 56.400 -0.135 0.000 0.818 89 E CB -0.220 29.343 29.700 -0.228 0.000 0.758 89 E HN 0.642 nan 8.360 nan 0.000 0.467 90 H N -0.109 118.880 119.070 -0.134 0.000 2.389 90 H HA -0.061 4.494 4.556 -0.001 0.000 0.299 90 H C 1.682 177.004 175.328 -0.009 0.000 1.081 90 H CA 1.374 57.332 56.048 -0.151 0.000 1.345 90 H CB -0.039 29.471 29.762 -0.420 0.000 1.393 90 H HN 0.367 nan 8.280 nan 0.000 0.520 91 H N -0.179 119.017 119.070 0.211 0.000 2.448 91 H HA -0.008 4.548 4.556 -0.001 0.000 0.292 91 H C 2.306 177.733 175.328 0.166 0.000 1.035 91 H CA 0.605 56.796 56.048 0.239 0.000 1.349 91 H CB 0.505 30.342 29.762 0.126 0.000 1.425 91 H HN 0.350 nan 8.280 nan 0.000 0.539 92 E N 0.636 120.948 120.200 0.188 0.000 2.107 92 E HA -0.123 4.226 4.350 -0.001 0.000 0.191 92 E C 2.252 178.902 176.600 0.084 0.000 0.982 92 E CA 0.656 57.121 56.400 0.109 0.000 0.809 92 E CB 0.042 29.773 29.700 0.052 0.000 0.756 92 E HN 0.481 nan 8.360 nan 0.000 0.459 93 A N 1.449 124.314 122.820 0.074 0.000 1.873 93 A HA -0.235 4.084 4.320 -0.001 0.000 0.215 93 A C 2.057 179.669 177.584 0.048 0.000 1.186 93 A CA 1.645 53.708 52.037 0.043 0.000 0.616 93 A CB -0.584 18.435 19.000 0.031 0.000 0.823 93 A HN 0.400 nan 8.150 nan 0.000 0.442 94 E N 0.142 120.408 120.200 0.110 0.000 2.033 94 E HA -0.203 4.146 4.350 -0.001 0.000 0.199 94 E C 2.171 178.803 176.600 0.054 0.000 1.011 94 E CA 1.783 58.206 56.400 0.038 0.000 0.815 94 E CB -0.208 29.586 29.700 0.156 0.000 0.755 94 E HN 0.522 nan 8.360 nan 0.000 0.451 95 S N 0.868 116.635 115.700 0.113 0.000 2.370 95 S HA -0.165 4.304 4.470 -0.001 0.000 0.226 95 S C 2.054 176.680 174.600 0.043 0.000 1.033 95 S CA 1.284 59.535 58.200 0.086 0.000 1.011 95 S CB -0.333 62.926 63.200 0.099 0.000 0.852 95 S HN 0.280 nan 8.310 nan 0.000 0.457 96 L N 0.741 121.983 121.223 0.032 0.000 2.079 96 L HA -0.117 4.223 4.340 -0.001 0.000 0.210 96 L C 2.227 179.089 176.870 -0.013 0.000 1.081 96 L CA 1.057 55.902 54.840 0.008 0.000 0.752 96 L CB -0.535 41.526 42.059 0.003 0.000 0.896 96 L HN 0.293 nan 8.230 nan 0.000 0.433 97 L N -0.666 120.542 121.223 -0.025 0.000 2.068 97 L HA -0.154 4.186 4.340 -0.001 0.000 0.204 97 L C 2.605 179.441 176.870 -0.056 0.000 1.076 97 L CA 1.018 55.822 54.840 -0.059 0.000 0.753 97 L CB -0.389 41.615 42.059 -0.092 0.000 0.910 97 L HN 0.146 nan 8.230 nan 0.000 0.439 98 K N 0.206 120.595 120.400 -0.019 0.000 2.152 98 K HA -0.194 4.126 4.320 -0.001 0.000 0.206 98 K C 2.073 178.674 176.600 0.002 0.000 1.048 98 K CA 1.318 57.614 56.287 0.014 0.000 0.933 98 K CB 0.165 32.705 32.500 0.068 0.000 0.721 98 K HN 0.227 nan 8.250 nan 0.000 0.447 99 K N -0.480 119.919 120.400 -0.002 0.000 2.005 99 K HA -0.012 4.308 4.320 -0.001 0.000 0.206 99 K C 2.139 178.724 176.600 -0.026 0.000 1.044 99 K CA 0.940 57.224 56.287 -0.004 0.000 0.942 99 K CB -0.165 32.337 32.500 0.003 0.000 0.727 99 K HN 0.077 nan 8.250 nan 0.000 0.439 100 A N 1.254 124.052 122.820 -0.038 0.000 2.084 100 A HA -0.203 4.117 4.320 -0.001 0.000 0.221 100 A C 2.537 180.073 177.584 -0.079 0.000 1.161 100 A CA 2.135 54.140 52.037 -0.052 0.000 0.653 100 A CB -1.398 17.568 19.000 -0.058 0.000 0.802 100 A HN 0.354 nan 8.150 nan 0.000 0.457 101 F N -0.953 118.938 119.950 -0.098 0.000 2.051 101 F HA 0.146 4.673 4.527 -0.001 0.000 0.296 101 F C 2.920 178.648 175.800 -0.120 0.000 1.122 101 F CA 1.746 59.652 58.000 -0.156 0.000 1.201 101 F CB -1.509 37.380 39.000 -0.186 0.000 0.978 101 F HN 0.512 nan 8.300 nan 0.000 0.472 102 A N -0.232 122.551 122.820 -0.062 0.000 2.032 102 A HA -0.155 4.164 4.320 -0.001 0.000 0.221 102 A C 1.344 178.915 177.584 -0.022 0.000 1.165 102 A CA 1.523 53.546 52.037 -0.023 0.000 0.645 102 A CB -0.960 18.043 19.000 0.005 0.000 0.807 102 A HN 0.648 nan 8.150 nan 0.000 0.453 103 N N 0.036 118.716 118.700 -0.033 0.000 2.575 103 N HA 0.238 4.978 4.740 -0.001 0.000 0.275 103 N C 0.753 176.241 175.510 -0.036 0.000 1.202 103 N CA 0.696 53.731 53.050 -0.026 0.000 0.945 103 N CB 0.085 38.560 38.487 -0.021 0.000 1.247 103 N HN 0.515 nan 8.380 nan 0.000 0.510 104 G N 1.240 110.013 108.800 -0.045 0.000 2.390 104 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.299 104 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.299 104 G C -0.125 174.739 174.900 -0.059 0.000 1.002 104 G CA 0.233 45.304 45.100 -0.049 0.000 0.979 104 G HN 0.274 nan 8.290 nan 0.000 0.513 105 E N 0.617 120.769 120.200 -0.080 0.000 2.014 105 E HA 0.446 4.796 4.350 -0.001 0.000 0.275 105 E C 1.213 177.752 176.600 -0.102 0.000 0.997 105 E CA 0.281 56.635 56.400 -0.077 0.000 0.804 105 E CB 0.741 30.398 29.700 -0.072 0.000 1.090 105 E HN 0.453 nan 8.360 nan 0.000 0.401 106 G N 2.394 111.143 108.800 -0.086 0.000 2.732 106 G HA2 -0.102 3.858 3.960 -0.001 0.000 0.244 106 G HA3 -0.102 3.858 3.960 -0.001 0.000 0.244 106 G C 0.678 175.520 174.900 -0.097 0.000 1.226 106 G CA -0.172 44.870 45.100 -0.096 0.000 0.860 106 G HN 0.782 nan 8.290 nan 0.000 0.583 107 N N -1.473 117.166 118.700 -0.103 0.000 2.780 107 N HA -0.213 4.527 4.740 -0.001 0.000 0.248 107 N C 1.057 176.500 175.510 -0.113 0.000 1.102 107 N CA 1.310 54.306 53.050 -0.090 0.000 0.697 107 N CB -0.986 37.465 38.487 -0.060 0.000 1.028 107 N HN 0.900 nan 8.380 nan 0.000 0.554 108 T N -3.809 110.645 114.554 -0.168 0.000 2.980 108 T HA 0.170 4.520 4.350 -0.001 0.000 0.252 108 T C 1.732 176.270 174.700 -0.271 0.000 0.962 108 T CA 0.395 62.381 62.100 -0.190 0.000 0.932 108 T CB 0.023 68.775 68.868 -0.193 0.000 1.188 108 T HN 0.154 nan 8.240 nan 0.000 0.500 109 L N 0.876 121.881 121.223 -0.363 0.000 2.027 109 L HA 0.106 4.446 4.340 -0.001 0.000 0.206 109 L C 2.237 178.918 176.870 -0.315 0.000 1.074 109 L CA 1.218 55.733 54.840 -0.542 0.000 0.745 109 L CB -0.324 41.330 42.059 -0.676 0.000 0.898 109 L HN 0.123 nan 8.230 nan 0.000 0.433 110 I N 0.405 120.869 120.570 -0.176 0.000 2.226 110 I HA -0.149 4.021 4.170 -0.001 0.000 0.245 110 I C -0.130 175.953 176.117 -0.056 0.000 1.100 110 I CA 1.375 62.633 61.300 -0.071 0.000 1.374 110 I CB -2.617 35.365 38.000 -0.029 0.000 1.057 110 I HN 0.228 nan 8.210 nan 0.000 0.413 111 P HA -0.153 nan 4.420 nan 0.000 0.216 111 P C 2.055 179.302 177.300 -0.089 0.000 1.150 111 P CA 1.044 64.111 63.100 -0.055 0.000 0.837 111 P CB 0.013 31.674 31.700 -0.066 0.000 0.786 112 L N -0.370 120.762 121.223 -0.151 0.000 2.072 112 L HA 0.025 4.365 4.340 -0.001 0.000 0.205 112 L C 2.162 178.901 176.870 -0.218 0.000 1.079 112 L CA 1.895 56.591 54.840 -0.241 0.000 0.752 112 L CB -1.633 40.301 42.059 -0.209 0.000 0.906 112 L HN -0.139 nan 8.230 nan 0.000 0.436 113 A N -0.682 122.155 122.820 0.029 0.000 1.902 113 A HA -0.194 4.126 4.320 -0.001 0.000 0.217 113 A C 2.198 179.808 177.584 0.043 0.000 1.181 113 A CA 2.050 54.199 52.037 0.185 0.000 0.623 113 A CB -0.535 18.624 19.000 0.265 0.000 0.818 113 A HN 0.470 nan 8.150 nan 0.000 0.443 114 M N -1.049 118.546 119.600 -0.008 0.000 2.117 114 M HA -0.089 4.391 4.480 -0.001 0.000 0.262 114 M C 2.155 178.441 176.300 -0.022 0.000 1.065 114 M CA 1.194 56.478 55.300 -0.027 0.000 1.114 114 M CB -1.406 31.206 32.600 0.020 0.000 1.361 114 M HN 0.472 nan 8.290 nan 0.000 0.408 115 L N -0.129 121.084 121.223 -0.017 0.000 2.013 115 L HA -0.230 4.110 4.340 -0.001 0.000 0.212 115 L C 2.177 179.119 176.870 0.121 0.000 1.073 115 L CA 2.054 56.950 54.840 0.093 0.000 0.753 115 L CB -1.096 40.903 42.059 -0.100 0.000 0.890 115 L HN 0.188 nan 8.230 nan 0.000 0.432 116 Y N -0.596 119.690 120.300 -0.023 0.000 2.242 116 Y HA -0.119 4.431 4.550 -0.001 0.000 0.291 116 Y C 2.436 178.321 175.900 -0.025 0.000 1.137 116 Y CA 1.179 59.244 58.100 -0.059 0.000 1.181 116 Y CB -0.766 37.606 38.460 -0.146 0.000 0.989 116 Y HN 0.154 nan 8.280 nan 0.000 0.527 117 L N -0.708 120.566 121.223 0.085 0.000 2.156 117 L HA -0.177 4.163 4.340 -0.001 0.000 0.208 117 L C 2.142 178.921 176.870 -0.152 0.000 1.095 117 L CA 0.952 55.768 54.840 -0.040 0.000 0.770 117 L CB -0.329 41.685 42.059 -0.077 0.000 0.914 117 L HN 0.142 nan 8.230 nan 0.000 0.439 118 Q N -0.956 118.677 119.800 -0.278 0.000 2.302 118 Q HA 0.015 4.355 4.340 -0.001 0.000 0.202 118 Q C -0.053 175.485 176.000 -0.770 0.000 0.936 118 Q CA 0.954 56.386 55.803 -0.618 0.000 0.886 118 Q CB 0.301 28.480 28.738 -0.931 0.000 0.986 118 Q HN 0.500 nan 8.270 nan 0.000 0.487 119 Y N 0.004 120.340 120.300 0.061 0.000 2.517 119 Y HA 0.261 4.811 4.550 -0.001 0.000 0.330 119 Y C -1.634 174.318 175.900 0.087 0.000 0.917 119 Y CA -2.309 55.792 58.100 0.002 0.000 1.131 119 Y CB 0.667 38.991 38.460 -0.227 0.000 1.175 119 Y HN 0.025 nan 8.280 nan 0.000 0.620 120 P HA -0.233 nan 4.420 nan 0.000 0.216 120 P C 0.602 177.885 177.300 -0.027 0.000 1.150 120 P CA 1.884 65.013 63.100 0.047 0.000 0.843 120 P CB 0.247 31.855 31.700 -0.154 0.000 0.787 121 H N -1.021 118.080 119.070 0.052 0.000 2.568 121 H HA 0.080 4.635 4.556 -0.001 0.000 0.281 121 H C 1.591 176.883 175.328 -0.060 0.000 1.028 121 H CA 0.848 56.898 56.048 0.005 0.000 1.199 121 H CB -0.409 29.350 29.762 -0.005 0.000 1.352 121 H HN 0.150 nan 8.280 nan 0.000 0.605 122 S N -0.431 115.217 115.700 -0.086 0.000 2.524 122 S HA 0.151 4.620 4.470 -0.001 0.000 0.215 122 S C -0.352 173.895 174.600 -0.587 0.000 0.986 122 S CA -0.094 57.853 58.200 -0.422 0.000 0.911 122 S CB 0.481 63.177 63.200 -0.840 0.000 0.805 122 S HN 0.169 nan 8.310 nan 0.000 0.501 123 F N 1.240 121.263 119.950 0.121 0.000 2.660 123 F HA 0.404 4.931 4.527 -0.001 0.000 0.352 123 F C -2.371 173.450 175.800 0.034 0.000 1.257 123 F CA -2.140 55.941 58.000 0.135 0.000 1.200 123 F CB 1.225 40.327 39.000 0.169 0.000 1.473 123 F HN -0.073 nan 8.300 nan 0.000 0.561 124 P HA -0.055 nan 4.420 nan 0.000 0.221 124 P C 1.617 178.948 177.300 0.051 0.000 1.150 124 P CA 1.418 64.561 63.100 0.072 0.000 0.800 124 P CB 0.206 31.939 31.700 0.055 0.000 0.787 125 N N -0.311 118.441 118.700 0.087 0.000 2.381 125 N HA -0.008 4.731 4.740 -0.001 0.000 0.182 125 N C 0.813 176.301 175.510 -0.038 0.000 1.025 125 N CA 0.842 53.916 53.050 0.039 0.000 0.888 125 N CB -0.651 37.884 38.487 0.080 0.000 0.965 125 N HN -0.036 nan 8.380 nan 0.000 0.438 126 V N 0.889 120.757 119.914 -0.076 0.000 2.630 126 V HA 0.349 4.468 4.120 -0.001 0.000 0.305 126 V C -0.304 175.645 176.094 -0.242 0.000 1.046 126 V CA -1.050 61.085 62.300 -0.275 0.000 0.934 126 V CB 1.802 33.209 31.823 -0.693 0.000 1.003 126 V HN 0.630 nan 8.190 nan 0.000 0.451 127 N N 2.518 121.053 118.700 -0.276 0.000 2.804 127 N HA 0.259 4.998 4.740 -0.001 0.000 0.251 127 N C 0.991 176.338 175.510 -0.272 0.000 1.250 127 N CA 0.310 53.231 53.050 -0.215 0.000 0.820 127 N CB 1.585 39.977 38.487 -0.159 0.000 1.156 127 N HN 0.800 nan 8.380 nan 0.000 0.512 128 A N 2.313 124.960 122.820 -0.288 0.000 1.944 128 A HA -0.339 3.981 4.320 -0.001 0.000 0.222 128 A C 2.008 179.440 177.584 -0.254 0.000 1.237 128 A CA 2.298 54.176 52.037 -0.265 0.000 0.668 128 A CB -0.710 18.215 19.000 -0.125 0.000 0.830 128 A HN 0.731 nan 8.150 nan 0.000 0.471 129 Q N -0.566 119.118 119.800 -0.194 0.000 2.096 129 Q HA -0.250 4.090 4.340 -0.001 0.000 0.204 129 Q C 2.206 178.085 176.000 -0.201 0.000 0.982 129 Q CA 2.572 58.269 55.803 -0.177 0.000 0.850 129 Q CB -0.458 28.210 28.738 -0.117 0.000 0.901 129 Q HN 0.804 nan 8.270 nan 0.000 0.422 130 Q N -0.794 118.883 119.800 -0.205 0.000 2.050 130 Q HA -0.266 4.074 4.340 -0.001 0.000 0.202 130 Q C 2.112 177.924 176.000 -0.313 0.000 0.980 130 Q CA 1.727 57.407 55.803 -0.206 0.000 0.840 130 Q CB -0.132 28.501 28.738 -0.175 0.000 0.898 130 Q HN 0.454 nan 8.270 nan 0.000 0.424 131 Q N 0.627 120.168 119.800 -0.433 0.000 2.061 131 Q HA -0.151 4.188 4.340 -0.001 0.000 0.204 131 Q C 1.785 177.149 176.000 -1.061 0.000 0.984 131 Q CA 1.894 57.260 55.803 -0.729 0.000 0.846 131 Q CB -0.253 28.034 28.738 -0.753 0.000 0.902 131 Q HN 0.558 nan 8.270 nan 0.000 0.421 132 I N -0.538 119.620 120.570 -0.686 0.000 2.353 132 I HA -0.213 3.957 4.170 -0.001 0.000 0.248 132 I C 2.073 178.082 176.117 -0.181 0.000 1.119 132 I CA 0.895 61.968 61.300 -0.378 0.000 1.417 132 I CB -0.128 37.780 38.000 -0.153 0.000 1.078 132 I HN 0.109 nan 8.210 nan 0.000 0.421 133 S N 0.103 115.685 115.700 -0.197 0.000 2.399 133 S HA -0.229 4.241 4.470 -0.001 0.000 0.231 133 S C 1.920 176.472 174.600 -0.081 0.000 1.022 133 S CA 1.238 59.376 58.200 -0.104 0.000 0.983 133 S CB -0.195 62.946 63.200 -0.098 0.000 0.803 133 S HN 0.461 nan 8.310 nan 0.000 0.480 134 Q N -0.302 119.399 119.800 -0.165 0.000 2.020 134 Q HA -0.115 4.225 4.340 -0.001 0.000 0.202 134 Q C 1.966 178.019 176.000 0.088 0.000 0.982 134 Q CA 1.386 57.135 55.803 -0.090 0.000 0.838 134 Q CB -0.186 28.444 28.738 -0.179 0.000 0.899 134 Q HN 0.601 nan 8.270 nan 0.000 0.423 135 W N 1.211 122.579 121.300 0.113 0.000 2.350 135 W HA -0.141 4.518 4.660 -0.001 0.000 0.289 135 W C 1.934 178.499 176.519 0.077 0.000 1.215 135 W CA 0.786 58.284 57.345 0.255 0.000 1.236 135 W CB -0.734 28.925 29.460 0.332 0.000 1.130 135 W HN 0.363 nan 8.180 nan 0.000 0.541 136 Q N -0.171 119.768 119.800 0.232 0.000 2.046 136 Q HA -0.084 4.255 4.340 -0.001 0.000 0.200 136 Q C 2.526 178.538 176.000 0.020 0.000 0.975 136 Q CA 1.900 57.767 55.803 0.108 0.000 0.836 136 Q CB -0.562 28.216 28.738 0.067 0.000 0.896 136 Q HN 0.148 nan 8.270 nan 0.000 0.428 137 A N 0.954 123.778 122.820 0.007 0.000 1.933 137 A HA -0.125 4.195 4.320 -0.001 0.000 0.218 137 A C 2.233 179.765 177.584 -0.086 0.000 1.175 137 A CA 1.568 53.587 52.037 -0.030 0.000 0.628 137 A CB -0.699 18.288 19.000 -0.022 0.000 0.814 137 A HN 0.403 nan 8.150 nan 0.000 0.444 138 A N -2.010 120.722 122.820 -0.146 0.000 2.067 138 A HA 0.327 4.647 4.320 -0.001 0.000 0.219 138 A C 2.029 179.340 177.584 -0.455 0.000 1.158 138 A CA 1.668 53.494 52.037 -0.351 0.000 0.661 138 A CB -0.816 17.811 19.000 -0.622 0.000 0.801 138 A HN 1.915 nan 8.150 nan 0.000 0.452 139 G N -3.187 105.416 108.800 -0.329 0.000 2.179 139 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.220 139 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.220 139 G C -0.089 174.720 174.900 -0.152 0.000 0.990 139 G CA -0.027 44.949 45.100 -0.207 0.000 0.646 139 G HN 0.369 nan 8.290 nan 0.000 0.517 140 Y N 1.398 121.719 120.300 0.034 0.000 2.729 140 Y HA 0.197 4.747 4.550 -0.001 0.000 0.331 140 Y C 0.195 176.092 175.900 -0.005 0.000 1.208 140 Y CA -1.189 56.905 58.100 -0.009 0.000 1.521 140 Y CB 0.138 38.565 38.460 -0.056 0.000 1.233 140 Y HN 0.108 nan 8.280 nan 0.000 0.539 141 P HA -0.239 nan 4.420 nan 0.000 0.216 141 P C 0.249 177.584 177.300 0.059 0.000 1.154 141 P CA 1.814 64.954 63.100 0.068 0.000 0.865 141 P CB 0.372 32.098 31.700 0.044 0.000 0.789 142 E N -0.657 119.572 120.200 0.049 0.000 2.502 142 E HA 0.146 4.495 4.350 -0.001 0.000 0.194 142 E C 2.045 178.684 176.600 0.066 0.000 1.062 142 E CA 0.230 56.648 56.400 0.029 0.000 0.867 142 E CB -0.233 29.451 29.700 -0.026 0.000 0.888 142 E HN 0.238 nan 8.360 nan 0.000 0.510 143 A N 1.151 124.046 122.820 0.124 0.000 1.902 143 A HA -0.118 4.202 4.320 -0.001 0.000 0.217 143 A C 2.367 180.021 177.584 0.117 0.000 1.181 143 A CA 1.669 53.820 52.037 0.190 0.000 0.623 143 A CB -1.019 18.134 19.000 0.254 0.000 0.818 143 A HN 0.392 nan 8.150 nan 0.000 0.443 144 G N -0.237 108.609 108.800 0.077 0.000 2.418 144 G HA2 -0.138 3.822 3.960 -0.001 0.000 0.217 144 G HA3 -0.138 3.822 3.960 -0.001 0.000 0.217 144 G C 1.485 176.407 174.900 0.037 0.000 1.158 144 G CA 1.215 46.341 45.100 0.045 0.000 0.771 144 G HN 0.503 nan 8.290 nan 0.000 0.545 145 L N 1.493 122.749 121.223 0.056 0.000 2.017 145 L HA 0.133 4.472 4.340 -0.001 0.000 0.208 145 L C 3.054 179.955 176.870 0.052 0.000 1.073 145 L CA 2.274 57.159 54.840 0.075 0.000 0.745 145 L CB -0.894 41.216 42.059 0.085 0.000 0.894 145 L HN 0.229 nan 8.230 nan 0.000 0.432 146 A N -0.861 121.992 122.820 0.054 0.000 1.908 146 A HA -0.320 4.000 4.320 -0.001 0.000 0.218 146 A C 2.289 179.848 177.584 -0.042 0.000 1.181 146 A CA 1.963 54.031 52.037 0.053 0.000 0.627 146 A CB -0.836 18.268 19.000 0.172 0.000 0.818 146 A HN 0.638 nan 8.150 nan 0.000 0.445 147 Q N -0.194 119.555 119.800 -0.085 0.000 2.170 147 Q HA -0.097 4.243 4.340 -0.001 0.000 0.203 147 Q C 1.742 177.432 176.000 -0.517 0.000 0.976 147 Q CA 2.145 57.764 55.803 -0.306 0.000 0.858 147 Q CB -0.485 28.112 28.738 -0.235 0.000 0.907 147 Q HN 0.352 nan 8.270 nan 0.000 0.433 148 V N 0.116 119.913 119.914 -0.196 0.000 2.488 148 V HA -0.167 3.953 4.120 -0.001 0.000 0.246 148 V C 2.187 178.279 176.094 -0.004 0.000 1.046 148 V CA 1.324 63.611 62.300 -0.022 0.000 1.053 148 V CB -0.450 31.472 31.823 0.166 0.000 0.679 148 V HN 0.374 nan 8.190 nan 0.000 0.458 149 L N -0.557 120.637 121.223 -0.049 0.000 2.191 149 L HA -0.188 4.152 4.340 -0.001 0.000 0.212 149 L C 2.353 179.152 176.870 -0.119 0.000 1.103 149 L CA 1.272 56.051 54.840 -0.101 0.000 0.769 149 L CB -0.431 41.559 42.059 -0.115 0.000 0.908 149 L HN 0.352 nan 8.230 nan 0.000 0.438 150 L N -1.206 119.903 121.223 -0.191 0.000 1.994 150 L HA -0.265 4.075 4.340 -0.001 0.000 0.208 150 L C 2.578 179.382 176.870 -0.110 0.000 1.071 150 L CA 1.557 56.268 54.840 -0.215 0.000 0.745 150 L CB -0.312 41.535 42.059 -0.354 0.000 0.892 150 L HN 0.115 nan 8.230 nan 0.000 0.431 151 Y N -0.002 120.273 120.300 -0.041 0.000 2.333 151 Y HA -0.177 4.373 4.550 -0.001 0.000 0.290 151 Y C 2.714 178.666 175.900 0.086 0.000 1.144 151 Y CA 0.990 59.090 58.100 -0.000 0.000 1.228 151 Y CB -0.649 37.818 38.460 0.011 0.000 0.985 151 Y HN 0.161 nan 8.280 nan 0.000 0.542 152 R N -1.031 119.595 120.500 0.210 0.000 2.119 152 R HA -0.049 4.291 4.340 -0.001 0.000 0.222 152 R C 2.018 178.310 176.300 -0.014 0.000 1.088 152 R CA 1.513 57.664 56.100 0.085 0.000 0.984 152 R CB -0.330 29.966 30.300 -0.005 0.000 0.884 152 R HN 0.242 nan 8.270 nan 0.000 0.447 153 T N 0.794 115.318 114.554 -0.049 0.000 2.851 153 T HA -0.074 4.275 4.350 -0.001 0.000 0.262 153 T C 1.646 176.318 174.700 -0.047 0.000 1.043 153 T CA 0.949 62.995 62.100 -0.090 0.000 1.140 153 T CB 0.039 68.829 68.868 -0.129 0.000 0.872 153 T HN 0.268 nan 8.240 nan 0.000 0.446 154 Q N 0.057 119.851 119.800 -0.010 0.000 2.432 154 Q HA 0.217 4.557 4.340 -0.001 0.000 0.205 154 Q C 1.519 177.544 176.000 0.041 0.000 0.945 154 Q CA 0.468 56.277 55.803 0.011 0.000 0.924 154 Q CB 0.282 29.032 28.738 0.020 0.000 1.016 154 Q HN 0.622 nan 8.270 nan 0.000 0.503 155 G N 1.188 110.027 108.800 0.066 0.000 2.132 155 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.234 155 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.234 155 G C 0.654 175.624 174.900 0.116 0.000 0.989 155 G CA 0.631 45.777 45.100 0.077 0.000 0.676 155 G HN 0.422 nan 8.290 nan 0.000 0.522 156 T N -2.962 111.689 114.554 0.163 0.000 3.145 156 T HA 0.252 4.602 4.350 -0.001 0.000 0.255 156 T C 1.528 176.330 174.700 0.170 0.000 1.039 156 T CA 0.659 62.861 62.100 0.169 0.000 0.928 156 T CB 0.073 69.066 68.868 0.207 0.000 1.029 156 T HN 0.444 nan 8.240 nan 0.000 0.554 157 Y N 3.120 123.455 120.300 0.058 0.000 2.062 157 Y HA -0.299 4.251 4.550 -0.001 0.000 0.276 157 Y C 1.672 177.552 175.900 -0.035 0.000 1.189 157 Y CA 2.188 60.295 58.100 0.012 0.000 1.130 157 Y CB -0.452 38.040 38.460 0.052 0.000 0.959 157 Y HN 0.188 nan 8.280 nan 0.000 0.499 158 D N -0.554 119.960 120.400 0.190 0.000 2.221 158 D HA -0.178 4.462 4.640 -0.001 0.000 0.204 158 D C 1.914 178.171 176.300 -0.073 0.000 0.982 158 D CA 1.365 55.407 54.000 0.071 0.000 0.857 158 D CB -0.270 40.582 40.800 0.086 0.000 0.934 158 D HN 0.449 nan 8.370 nan 0.000 0.475 159 Q N -1.003 118.734 119.800 -0.106 0.000 2.432 159 Q HA 0.023 4.363 4.340 -0.001 0.000 0.205 159 Q C 0.438 176.102 176.000 -0.561 0.000 0.945 159 Q CA 0.802 56.443 55.803 -0.270 0.000 0.924 159 Q CB 0.227 28.807 28.738 -0.263 0.000 1.016 159 Q HN 0.442 nan 8.270 nan 0.000 0.503 160 H N -1.498 117.303 119.070 -0.448 0.000 2.567 160 H HA 0.242 4.798 4.556 -0.001 0.000 0.267 160 H C 0.747 175.772 175.328 -0.506 0.000 1.148 160 H CA -0.174 55.534 56.048 -0.566 0.000 1.031 160 H CB 0.226 29.295 29.762 -1.156 0.000 1.691 160 H HN 0.055 nan 8.280 nan 0.000 0.588 161 L N 0.061 121.078 121.223 -0.343 0.000 2.137 161 L HA -0.240 4.099 4.340 -0.001 0.000 0.213 161 L C 1.389 178.139 176.870 -0.199 0.000 1.085 161 L CA 1.295 55.951 54.840 -0.308 0.000 0.760 161 L CB -0.062 41.891 42.059 -0.177 0.000 0.893 161 L HN 0.367 nan 8.230 nan 0.000 0.434 162 D N -0.285 120.025 120.400 -0.150 0.000 2.123 162 D HA -0.151 4.488 4.640 -0.001 0.000 0.200 162 D C 1.837 178.103 176.300 -0.056 0.000 0.976 162 D CA 1.083 55.033 54.000 -0.085 0.000 0.831 162 D CB -0.173 40.586 40.800 -0.069 0.000 0.974 162 D HN 0.363 nan 8.370 nan 0.000 0.469 163 D N 0.309 120.681 120.400 -0.047 0.000 2.178 163 D HA -0.072 4.567 4.640 -0.001 0.000 0.202 163 D C 2.223 178.551 176.300 0.045 0.000 0.974 163 D CA 0.402 54.427 54.000 0.042 0.000 0.841 163 D CB 0.380 41.272 40.800 0.154 0.000 0.953 163 D HN 0.067 nan 8.370 nan 0.000 0.478 164 V N 1.422 121.312 119.914 -0.039 0.000 2.270 164 V HA -0.222 3.898 4.120 -0.001 0.000 0.245 164 V C 2.518 178.585 176.094 -0.044 0.000 1.043 164 V CA 1.614 63.895 62.300 -0.032 0.000 1.014 164 V CB -0.495 31.211 31.823 -0.194 0.000 0.645 164 V HN 0.169 nan 8.190 nan 0.000 0.447 165 E N 0.203 120.349 120.200 -0.091 0.000 2.097 165 E HA -0.319 4.031 4.350 -0.001 0.000 0.196 165 E C 2.457 179.038 176.600 -0.032 0.000 1.000 165 E CA 1.958 58.302 56.400 -0.093 0.000 0.804 165 E CB -0.130 29.524 29.700 -0.077 0.000 0.740 165 E HN 0.475 nan 8.360 nan 0.000 0.454 166 R N 0.298 120.792 120.500 -0.009 0.000 2.066 166 R HA -0.106 4.234 4.340 -0.001 0.000 0.232 166 R C 2.463 178.769 176.300 0.011 0.000 1.131 166 R CA 1.412 57.517 56.100 0.008 0.000 0.955 166 R CB -0.254 30.056 30.300 0.017 0.000 0.851 166 R HN 0.229 nan 8.270 nan 0.000 0.432 167 I N 0.163 120.746 120.570 0.021 0.000 2.179 167 I HA -0.354 3.816 4.170 -0.001 0.000 0.242 167 I C 2.387 178.508 176.117 0.007 0.000 1.088 167 I CA 1.095 62.411 61.300 0.026 0.000 1.357 167 I CB -0.226 37.804 38.000 0.050 0.000 1.051 167 I HN 0.357 nan 8.210 nan 0.000 0.409 168 c N 0.589 119.185 118.600 -0.005 0.000 2.448 168 c HA -0.074 4.495 4.570 -0.001 0.000 0.280 168 c C 2.674 176.728 174.090 -0.061 0.000 1.398 168 c CA 0.589 56.898 56.329 -0.035 0.000 1.774 168 c CB -0.890 41.593 42.510 -0.045 0.000 1.888 168 c HN 0.382 nan 8.230 nan 0.000 0.519 169 K N 0.805 121.182 120.400 -0.038 0.000 2.148 169 K HA -0.049 4.271 4.320 -0.001 0.000 0.204 169 K C 2.106 178.684 176.600 -0.036 0.000 1.050 169 K CA 1.419 57.686 56.287 -0.033 0.000 0.942 169 K CB -0.157 32.347 32.500 0.006 0.000 0.724 169 K HN 0.465 nan 8.250 nan 0.000 0.446 170 A N 0.676 123.483 122.820 -0.023 0.000 2.016 170 A HA 0.069 4.389 4.320 -0.001 0.000 0.217 170 A C 2.013 179.584 177.584 -0.023 0.000 1.162 170 A CA 1.396 53.423 52.037 -0.017 0.000 0.662 170 A CB -0.107 18.891 19.000 -0.003 0.000 0.812 170 A HN 0.276 nan 8.150 nan 0.000 0.450 171 A N -1.131 121.670 122.820 -0.031 0.000 2.348 171 A HA 0.396 4.716 4.320 -0.001 0.000 0.224 171 A C 1.678 179.225 177.584 -0.062 0.000 1.227 171 A CA 0.448 52.467 52.037 -0.030 0.000 0.885 171 A CB -0.379 18.613 19.000 -0.013 0.000 0.933 171 A HN 0.458 nan 8.150 nan 0.000 0.506 172 L N 0.502 121.662 121.223 -0.105 0.000 2.089 172 L HA -0.196 4.144 4.340 -0.001 0.000 0.213 172 L C 1.351 178.126 176.870 -0.158 0.000 1.079 172 L CA 2.034 56.754 54.840 -0.200 0.000 0.758 172 L CB -0.417 41.472 42.059 -0.284 0.000 0.891 172 L HN 0.407 nan 8.230 nan 0.000 0.433 173 N N -1.535 117.117 118.700 -0.080 0.000 2.398 173 N HA -0.009 4.730 4.740 -0.001 0.000 0.188 173 N C 1.248 176.753 175.510 -0.008 0.000 1.122 173 N CA 1.075 54.109 53.050 -0.026 0.000 0.866 173 N CB 0.158 38.639 38.487 -0.011 0.000 0.970 173 N HN 0.638 nan 8.380 nan 0.000 0.462 174 T N -3.909 110.634 114.554 -0.018 0.000 2.958 174 T HA 0.123 4.473 4.350 -0.001 0.000 0.256 174 T C 0.502 175.199 174.700 -0.005 0.000 0.983 174 T CA 0.038 62.135 62.100 -0.006 0.000 0.924 174 T CB 0.343 69.208 68.868 -0.005 0.000 1.136 174 T HN -0.170 nan 8.240 nan 0.000 0.506 175 T N 3.351 117.895 114.554 -0.017 0.000 3.009 175 T HA 0.333 4.683 4.350 -0.001 0.000 0.346 175 T C 0.155 174.840 174.700 -0.024 0.000 1.092 175 T CA -0.454 61.636 62.100 -0.017 0.000 1.080 175 T CB 1.346 70.205 68.868 -0.016 0.000 1.037 175 T HN 0.370 nan 8.240 nan 0.000 0.487 176 D N 1.869 122.274 120.400 0.009 0.000 2.309 176 D HA -0.127 4.513 4.640 -0.001 0.000 0.212 176 D C 1.659 177.978 176.300 0.032 0.000 0.968 176 D CA 0.341 54.384 54.000 0.072 0.000 0.882 176 D CB -0.072 40.772 40.800 0.072 0.000 0.918 176 D HN 0.418 nan 8.370 nan 0.000 0.503 177 I N 0.198 120.718 120.570 -0.084 0.000 2.614 177 I HA -0.150 4.020 4.170 -0.001 0.000 0.258 177 I C 1.413 177.434 176.117 -0.159 0.000 1.189 177 I CA 0.412 61.580 61.300 -0.220 0.000 1.462 177 I CB -0.333 37.373 38.000 -0.490 0.000 1.092 177 I HN 0.180 nan 8.210 nan 0.000 0.442 178 c N -0.023 118.513 118.600 -0.105 0.000 2.422 178 c HA -0.161 4.409 4.570 -0.001 0.000 0.286 178 c C 2.434 176.460 174.090 -0.108 0.000 1.412 178 c CA 0.493 56.758 56.329 -0.107 0.000 1.786 178 c CB -1.609 40.817 42.510 -0.140 0.000 1.835 178 c HN 0.535 nan 8.230 nan 0.000 0.533 179 Y N -0.147 120.119 120.300 -0.057 0.000 2.293 179 Y HA -0.110 4.440 4.550 -0.000 0.000 0.291 179 Y C 2.441 178.319 175.900 -0.038 0.000 1.137 179 Y CA 1.362 59.442 58.100 -0.033 0.000 1.202 179 Y CB -0.418 38.018 38.460 -0.040 0.000 0.990 179 Y HN 0.132 nan 8.280 nan 0.000 0.537 180 V N -0.292 119.667 119.914 0.076 0.000 2.453 180 V HA -0.190 3.929 4.120 -0.001 0.000 0.247 180 V C 2.081 178.187 176.094 0.019 0.000 1.048 180 V CA 1.711 64.023 62.300 0.019 0.000 1.049 180 V CB -0.304 31.484 31.823 -0.059 0.000 0.672 180 V HN 0.324 nan 8.190 nan 0.000 0.457 181 E N 0.142 120.348 120.200 0.010 0.000 2.107 181 E HA -0.088 4.262 4.350 -0.001 0.000 0.191 181 E C 2.215 178.814 176.600 -0.002 0.000 0.982 181 E CA 0.950 57.390 56.400 0.068 0.000 0.809 181 E CB -0.218 29.544 29.700 0.104 0.000 0.756 181 E HN 0.499 nan 8.360 nan 0.000 0.459 182 L N 0.499 121.671 121.223 -0.084 0.000 2.093 182 L HA -0.081 4.259 4.340 -0.001 0.000 0.208 182 L C 2.483 179.205 176.870 -0.247 0.000 1.085 182 L CA 1.001 55.672 54.840 -0.282 0.000 0.755 182 L CB -0.455 41.496 42.059 -0.180 0.000 0.904 182 L HN 0.040 nan 8.230 nan 0.000 0.435 183 A N -0.707 122.118 122.820 0.008 0.000 2.015 183 A HA -0.156 4.164 4.320 -0.001 0.000 0.219 183 A C 2.343 179.965 177.584 0.062 0.000 1.163 183 A CA 2.067 54.163 52.037 0.099 0.000 0.646 183 A CB -0.666 18.397 19.000 0.106 0.000 0.806 183 A HN 0.352 nan 8.150 nan 0.000 0.448 184 T N -0.591 113.984 114.554 0.036 0.000 2.770 184 T HA -0.072 4.278 4.350 -0.001 0.000 0.263 184 T C 1.920 176.664 174.700 0.073 0.000 1.039 184 T CA 1.481 63.622 62.100 0.069 0.000 1.142 184 T CB -0.306 68.616 68.868 0.091 0.000 0.868 184 T HN 0.151 nan 8.240 nan 0.000 0.435 185 V N 0.658 120.561 119.914 -0.019 0.000 2.295 185 V HA -0.160 3.960 4.120 -0.001 0.000 0.246 185 V C 2.130 178.190 176.094 -0.056 0.000 1.049 185 V CA 1.557 63.799 62.300 -0.097 0.000 1.024 185 V CB -0.790 30.848 31.823 -0.308 0.000 0.648 185 V HN 0.491 nan 8.190 nan 0.000 0.447 186 Y N -0.070 120.267 120.300 0.062 0.000 2.639 186 Y HA -0.081 4.469 4.550 -0.001 0.000 0.297 186 Y C 2.518 178.446 175.900 0.047 0.000 1.151 186 Y CA 0.378 58.505 58.100 0.045 0.000 1.335 186 Y CB -0.514 37.970 38.460 0.039 0.000 0.994 186 Y HN 0.297 nan 8.280 nan 0.000 0.548 187 Q N 0.094 119.991 119.800 0.163 0.000 2.165 187 Q HA -0.023 4.317 4.340 -0.001 0.000 0.197 187 Q C 1.981 178.044 176.000 0.105 0.000 0.952 187 Q CA 0.875 56.752 55.803 0.123 0.000 0.848 187 Q CB -0.038 28.761 28.738 0.101 0.000 0.931 187 Q HN 0.427 nan 8.270 nan 0.000 0.470 188 K N 0.687 121.147 120.400 0.100 0.000 2.057 188 K HA -0.044 4.275 4.320 -0.001 0.000 0.206 188 K C 1.797 178.443 176.600 0.077 0.000 1.050 188 K CA 0.808 57.148 56.287 0.088 0.000 0.935 188 K CB 0.022 32.582 32.500 0.100 0.000 0.715 188 K HN 0.009 nan 8.250 nan 0.000 0.439 189 K N 1.192 121.644 120.400 0.087 0.000 2.555 189 K HA -0.041 4.279 4.320 -0.001 0.000 0.193 189 K C -0.295 176.357 176.600 0.086 0.000 1.032 189 K CA 0.259 56.596 56.287 0.084 0.000 1.004 189 K CB 0.031 32.599 32.500 0.113 0.000 0.804 189 K HN 0.172 nan 8.250 nan 0.000 0.496 190 Q N 0.875 120.729 119.800 0.089 0.000 2.443 190 Q HA -0.225 4.115 4.340 -0.001 0.000 0.337 190 Q C -1.059 174.982 176.000 0.068 0.000 1.401 190 Q CA 0.579 56.426 55.803 0.074 0.000 0.943 190 Q CB -1.196 27.575 28.738 0.054 0.000 1.177 190 Q HN 0.405 nan 8.270 nan 0.000 0.394 191 Q N -0.838 119.018 119.800 0.094 0.000 2.644 191 Q HA 0.174 4.513 4.340 -0.001 0.000 0.245 191 Q C -2.030 173.974 176.000 0.006 0.000 1.064 191 Q CA -1.910 53.922 55.803 0.049 0.000 0.860 191 Q CB 1.117 29.894 28.738 0.066 0.000 1.145 191 Q HN 0.122 nan 8.270 nan 0.000 0.515 192 P HA -0.287 nan 4.420 nan 0.000 0.215 192 P C 1.474 178.745 177.300 -0.050 0.000 1.157 192 P CA 2.249 65.343 63.100 -0.010 0.000 0.874 192 P CB 0.384 32.082 31.700 -0.003 0.000 0.790 193 E N 0.042 120.201 120.200 -0.068 0.000 2.023 193 E HA -0.317 4.032 4.350 -0.001 0.000 0.196 193 E C 2.011 178.514 176.600 -0.161 0.000 1.003 193 E CA 1.928 58.273 56.400 -0.091 0.000 0.809 193 E CB -1.919 27.733 29.700 -0.080 0.000 0.755 193 E HN 0.322 nan 8.360 nan 0.000 0.449 194 Q N 0.094 119.724 119.800 -0.284 0.000 2.197 194 Q HA -0.172 4.168 4.340 -0.001 0.000 0.207 194 Q C 2.365 178.065 176.000 -0.500 0.000 0.984 194 Q CA 1.844 57.310 55.803 -0.561 0.000 0.869 194 Q CB -0.059 27.993 28.738 -1.143 0.000 0.906 194 Q HN 0.560 nan 8.270 nan 0.000 0.426 195 Q N -0.659 118.981 119.800 -0.267 0.000 2.119 195 Q HA -0.050 4.290 4.340 -0.001 0.000 0.201 195 Q C 2.058 178.052 176.000 -0.010 0.000 0.972 195 Q CA 1.455 57.245 55.803 -0.022 0.000 0.847 195 Q CB -0.230 28.541 28.738 0.055 0.000 0.903 195 Q HN 0.465 nan 8.270 nan 0.000 0.433 196 A N 0.851 123.645 122.820 -0.043 0.000 1.930 196 A HA -0.201 4.118 4.320 -0.001 0.000 0.217 196 A C 1.993 179.565 177.584 -0.020 0.000 1.175 196 A CA 1.735 53.757 52.037 -0.024 0.000 0.627 196 A CB -0.347 18.635 19.000 -0.031 0.000 0.815 196 A HN 0.337 nan 8.150 nan 0.000 0.443 197 E N 0.048 120.220 120.200 -0.048 0.000 2.028 197 E HA -0.177 4.173 4.350 -0.001 0.000 0.191 197 E C 1.787 178.403 176.600 0.027 0.000 0.988 197 E CA 1.421 57.805 56.400 -0.027 0.000 0.799 197 E CB -0.538 29.125 29.700 -0.063 0.000 0.755 197 E HN 0.352 nan 8.360 nan 0.000 0.447 198 L N 0.513 121.766 121.223 0.049 0.000 1.990 198 L HA -0.168 4.171 4.340 -0.001 0.000 0.213 198 L C 2.343 179.316 176.870 0.173 0.000 1.072 198 L CA 1.935 56.878 54.840 0.173 0.000 0.755 198 L CB -0.900 41.323 42.059 0.273 0.000 0.889 198 L HN 0.356 nan 8.230 nan 0.000 0.432 199 L N -0.629 120.652 121.223 0.097 0.000 2.043 199 L HA -0.305 4.034 4.340 -0.001 0.000 0.212 199 L C 2.661 179.539 176.870 0.012 0.000 1.075 199 L CA 1.847 56.709 54.840 0.038 0.000 0.752 199 L CB -0.577 41.490 42.059 0.013 0.000 0.891 199 L HN 0.326 nan 8.230 nan 0.000 0.432 200 K N -0.687 119.727 120.400 0.023 0.000 2.097 200 K HA -0.185 4.135 4.320 -0.001 0.000 0.205 200 K C 2.140 178.760 176.600 0.033 0.000 1.050 200 K CA 1.149 57.444 56.287 0.013 0.000 0.938 200 K CB -0.107 32.399 32.500 0.009 0.000 0.718 200 K HN 0.431 nan 8.250 nan 0.000 0.442 201 Q N 0.409 120.262 119.800 0.089 0.000 2.084 201 Q HA -0.150 4.190 4.340 -0.001 0.000 0.202 201 Q C 2.165 178.244 176.000 0.131 0.000 0.978 201 Q CA 1.440 57.334 55.803 0.151 0.000 0.844 201 Q CB -0.107 28.776 28.738 0.242 0.000 0.898 201 Q HN 0.357 nan 8.270 nan 0.000 0.426 202 M N 0.704 120.318 119.600 0.023 0.000 2.117 202 M HA -0.207 4.272 4.480 -0.001 0.000 0.262 202 M C 1.557 177.706 176.300 -0.252 0.000 1.065 202 M CA 1.629 56.671 55.300 -0.430 0.000 1.114 202 M CB 0.111 32.369 32.600 -0.571 0.000 1.361 202 M HN 0.115 nan 8.290 nan 0.000 0.408 203 E N 0.167 120.290 120.200 -0.129 0.000 2.047 203 E HA -0.157 4.193 4.350 -0.001 0.000 0.191 203 E C 2.004 178.564 176.600 -0.066 0.000 0.987 203 E CA 1.219 57.562 56.400 -0.095 0.000 0.799 203 E CB -0.220 29.444 29.700 -0.060 0.000 0.752 203 E HN 0.663 nan 8.360 nan 0.000 0.449 204 A N 0.994 123.794 122.820 -0.034 0.000 1.948 204 A HA -0.160 4.160 4.320 -0.001 0.000 0.220 204 A C 2.351 179.926 177.584 -0.014 0.000 1.177 204 A CA 1.854 53.884 52.037 -0.012 0.000 0.636 204 A CB -1.020 17.988 19.000 0.014 0.000 0.815 204 A HN 0.380 nan 8.150 nan 0.000 0.449 205 G N -1.008 107.777 108.800 -0.024 0.000 2.430 205 G HA2 0.027 3.986 3.960 -0.001 0.000 0.216 205 G HA3 0.027 3.986 3.960 -0.001 0.000 0.216 205 G C 1.455 176.322 174.900 -0.056 0.000 1.146 205 G CA 0.974 46.062 45.100 -0.020 0.000 0.793 205 G HN 0.301 nan 8.290 nan 0.000 0.537 206 V N 1.392 121.250 119.914 -0.093 0.000 2.295 206 V HA -0.204 3.916 4.120 -0.001 0.000 0.246 206 V C 3.113 179.173 176.094 -0.057 0.000 1.049 206 V CA 2.286 64.531 62.300 -0.092 0.000 1.024 206 V CB -0.670 31.087 31.823 -0.109 0.000 0.648 206 V HN 0.361 nan 8.190 nan 0.000 0.447 207 S N -0.174 115.499 115.700 -0.046 0.000 2.370 207 S HA -0.216 4.254 4.470 -0.001 0.000 0.226 207 S C 1.924 176.511 174.600 -0.021 0.000 1.033 207 S CA 1.591 59.773 58.200 -0.030 0.000 1.011 207 S CB -0.344 62.842 63.200 -0.023 0.000 0.852 207 S HN 0.571 nan 8.310 nan 0.000 0.457 208 R N 0.434 120.923 120.500 -0.018 0.000 2.313 208 R HA 0.195 4.535 4.340 -0.001 0.000 0.199 208 R C 1.344 177.637 176.300 -0.012 0.000 0.958 208 R CA 0.473 56.567 56.100 -0.010 0.000 1.047 208 R CB -0.098 30.202 30.300 -0.000 0.000 0.955 208 R HN 0.462 nan 8.270 nan 0.000 0.481 209 G N 1.256 110.043 108.800 -0.022 0.000 2.160 209 G HA2 -0.297 3.663 3.960 -0.001 0.000 0.244 209 G HA3 -0.297 3.663 3.960 -0.001 0.000 0.244 209 G C 0.667 175.555 174.900 -0.020 0.000 1.022 209 G CA 0.772 45.858 45.100 -0.024 0.000 0.741 209 G HN 0.458 nan 8.290 nan 0.000 0.508 210 T N -3.330 111.214 114.554 -0.017 0.000 3.054 210 T HA 0.578 4.927 4.350 -0.001 0.000 0.255 210 T C 0.354 175.048 174.700 -0.010 0.000 1.035 210 T CA 0.456 62.555 62.100 -0.001 0.000 0.941 210 T CB 1.055 69.939 68.868 0.028 0.000 1.026 210 T HN 0.804 nan 8.240 nan 0.000 0.533 211 V N 2.630 122.509 119.914 -0.058 0.000 2.638 211 V HA 0.607 4.727 4.120 -0.001 0.000 0.306 211 V C 0.443 176.462 176.094 -0.126 0.000 1.052 211 V CA -0.859 61.374 62.300 -0.112 0.000 0.885 211 V CB 1.806 33.498 31.823 -0.218 0.000 0.999 211 V HN 0.607 nan 8.190 nan 0.000 0.424 212 T N 1.614 116.086 114.554 -0.137 0.000 2.862 212 T HA 0.627 4.977 4.350 -0.001 0.000 0.276 212 T C 1.294 175.851 174.700 -0.239 0.000 0.974 212 T CA 0.169 62.173 62.100 -0.160 0.000 0.966 212 T CB 1.765 70.544 68.868 -0.148 0.000 1.072 212 T HN 0.812 nan 8.240 nan 0.000 0.538 213 A N -0.220 122.426 122.820 -0.291 0.000 1.968 213 A HA -0.045 4.275 4.320 -0.001 0.000 0.217 213 A C 2.347 179.496 177.584 -0.726 0.000 1.169 213 A CA 1.399 53.188 52.037 -0.414 0.000 0.638 213 A CB -1.050 17.744 19.000 -0.342 0.000 0.812 213 A HN 0.931 nan 8.150 nan 0.000 0.446 214 Q N -0.618 118.675 119.800 -0.844 0.000 2.170 214 Q HA -0.209 4.131 4.340 -0.001 0.000 0.203 214 Q C 2.123 177.894 176.000 -0.381 0.000 0.976 214 Q CA 1.064 56.370 55.803 -0.828 0.000 0.858 214 Q CB -0.169 28.300 28.738 -0.448 0.000 0.907 214 Q HN 0.416 nan 8.270 nan 0.000 0.433 215 R N 0.164 120.494 120.500 -0.282 0.000 2.075 215 R HA -0.084 4.255 4.340 -0.001 0.000 0.230 215 R C 2.450 178.633 176.300 -0.195 0.000 1.140 215 R CA 1.344 57.331 56.100 -0.189 0.000 0.928 215 R CB -1.295 28.901 30.300 -0.173 0.000 0.834 215 R HN 0.214 nan 8.270 nan 0.000 0.429 216 V N 2.289 122.062 119.914 -0.235 0.000 2.317 216 V HA -0.304 3.815 4.120 -0.001 0.000 0.251 216 V C 2.325 178.323 176.094 -0.160 0.000 1.065 216 V CA 2.299 64.478 62.300 -0.201 0.000 1.049 216 V CB -0.642 31.057 31.823 -0.205 0.000 0.651 216 V HN 0.475 nan 8.190 nan 0.000 0.450 217 D N 0.451 120.735 120.400 -0.194 0.000 2.097 217 D HA -0.179 4.461 4.640 -0.001 0.000 0.195 217 D C 2.285 178.550 176.300 -0.057 0.000 0.989 217 D CA 1.981 55.918 54.000 -0.105 0.000 0.827 217 D CB 0.108 40.876 40.800 -0.053 0.000 0.966 217 D HN 0.608 nan 8.370 nan 0.000 0.456 218 S N 0.103 115.760 115.700 -0.071 0.000 2.368 218 S HA -0.119 4.350 4.470 -0.001 0.000 0.225 218 S C 2.374 176.958 174.600 -0.026 0.000 1.030 218 S CA 1.153 59.332 58.200 -0.035 0.000 0.999 218 S CB -0.743 62.430 63.200 -0.045 0.000 0.844 218 S HN 0.162 nan 8.310 nan 0.000 0.459 219 V N 2.649 122.538 119.914 -0.042 0.000 2.343 219 V HA -0.107 4.012 4.120 -0.001 0.000 0.247 219 V C 3.141 179.228 176.094 -0.011 0.000 1.051 219 V CA 1.627 63.917 62.300 -0.016 0.000 1.036 219 V CB -1.487 30.319 31.823 -0.029 0.000 0.654 219 V HN 0.667 nan 8.190 nan 0.000 0.451 220 A N -0.107 122.694 122.820 -0.033 0.000 1.940 220 A HA -0.241 4.078 4.320 -0.001 0.000 0.219 220 A C 2.341 179.922 177.584 -0.005 0.000 1.176 220 A CA 1.825 53.845 52.037 -0.028 0.000 0.631 220 A CB -0.508 18.463 19.000 -0.049 0.000 0.814 220 A HN 0.514 nan 8.150 nan 0.000 0.446 221 R N -0.882 119.621 120.500 0.005 0.000 2.189 221 R HA -0.006 4.334 4.340 -0.001 0.000 0.223 221 R C 1.801 178.129 176.300 0.047 0.000 1.092 221 R CA 1.031 57.150 56.100 0.032 0.000 0.989 221 R CB -0.283 30.035 30.300 0.030 0.000 0.876 221 R HN 0.406 nan 8.270 nan 0.000 0.457 222 V N 0.978 120.913 119.914 0.034 0.000 2.488 222 V HA -0.145 3.975 4.120 -0.001 0.000 0.246 222 V C 2.041 178.169 176.094 0.056 0.000 1.046 222 V CA 1.337 63.664 62.300 0.044 0.000 1.053 222 V CB -0.172 31.674 31.823 0.038 0.000 0.679 222 V HN 0.308 nan 8.190 nan 0.000 0.458 223 L N 0.247 121.493 121.223 0.038 0.000 2.376 223 L HA 0.061 4.400 4.340 -0.001 0.000 0.219 223 L C 1.911 178.789 176.870 0.013 0.000 1.133 223 L CA 1.225 56.078 54.840 0.022 0.000 0.816 223 L CB -0.474 41.581 42.059 -0.007 0.000 0.933 223 L HN 0.474 nan 8.230 nan 0.000 0.449 224 G N -1.280 107.553 108.800 0.055 0.000 3.820 224 G HA2 -0.004 3.956 3.960 -0.001 0.000 0.293 224 G HA3 -0.004 3.956 3.960 -0.001 0.000 0.293 224 G C -0.461 174.634 174.900 0.324 0.000 1.152 224 G CA -0.170 45.013 45.100 0.138 0.000 0.921 224 G HN 0.008 nan 8.290 nan 0.000 0.544 225 D N 1.006 121.545 120.400 0.232 0.000 2.477 225 D HA 0.453 5.093 4.640 -0.001 0.000 0.239 225 D C 1.489 177.916 176.300 0.211 0.000 1.102 225 D CA -0.324 53.793 54.000 0.195 0.000 0.901 225 D CB 1.190 42.056 40.800 0.110 0.000 1.026 225 D HN 0.034 nan 8.370 nan 0.000 0.515 226 A N 2.794 125.759 122.820 0.242 0.000 2.093 226 A HA -0.190 4.130 4.320 -0.001 0.000 0.222 226 A C 2.000 179.648 177.584 0.107 0.000 1.162 226 A CA 1.733 53.880 52.037 0.183 0.000 0.655 226 A CB -0.364 18.649 19.000 0.022 0.000 0.805 226 A HN 0.558 nan 8.150 nan 0.000 0.461 227 T N 0.289 114.892 114.554 0.081 0.000 2.867 227 T HA -0.022 4.328 4.350 -0.001 0.000 0.268 227 T C 1.541 176.278 174.700 0.062 0.000 1.057 227 T CA 1.260 63.395 62.100 0.057 0.000 1.136 227 T CB -0.320 68.572 68.868 0.040 0.000 0.874 227 T HN 0.455 nan 8.240 nan 0.000 0.466 228 L N 0.217 121.485 121.223 0.075 0.000 2.551 228 L HA 0.202 4.542 4.340 -0.001 0.000 0.228 228 L C 1.758 178.676 176.870 0.079 0.000 1.153 228 L CA 0.414 55.297 54.840 0.073 0.000 0.851 228 L CB -0.637 41.466 42.059 0.075 0.000 0.959 228 L HN 0.509 nan 8.230 nan 0.000 0.451 229 G N -0.780 108.070 108.800 0.083 0.000 1.954 229 G HA2 -0.166 3.794 3.960 -0.001 0.000 0.169 229 G HA3 -0.166 3.794 3.960 -0.001 0.000 0.169 229 G C -0.282 174.672 174.900 0.090 0.000 1.013 229 G CA -0.274 44.873 45.100 0.078 0.000 1.258 229 G HN -0.048 nan 8.290 nan 0.000 0.442 230 T N 4.677 119.281 114.554 0.084 0.000 2.910 230 T HA 0.595 4.944 4.350 -0.001 0.000 0.323 230 T C -2.300 172.448 174.700 0.080 0.000 1.091 230 T CA -0.512 61.638 62.100 0.084 0.000 0.960 230 T CB 1.526 70.431 68.868 0.061 0.000 1.024 230 T HN 0.502 nan 8.240 nan 0.000 0.509 231 P HA 0.170 nan 4.420 nan 0.000 0.271 231 P C -0.507 176.753 177.300 -0.067 0.000 1.216 231 P CA -0.203 62.929 63.100 0.054 0.000 0.776 231 P CB 0.924 32.734 31.700 0.184 0.000 0.881 232 D N 2.569 122.913 120.400 -0.093 0.000 2.970 232 D HA -0.013 4.626 4.640 -0.001 0.000 0.282 232 D C 1.461 177.640 176.300 -0.202 0.000 1.291 232 D CA -0.249 53.684 54.000 -0.113 0.000 0.967 232 D CB 0.181 40.950 40.800 -0.051 0.000 1.017 232 D HN 0.363 nan 8.370 nan 0.000 0.512 233 E N 1.303 121.261 120.200 -0.404 0.000 2.070 233 E HA -0.270 4.080 4.350 -0.001 0.000 0.197 233 E C 1.019 177.472 176.600 -0.245 0.000 1.004 233 E CA 1.046 57.124 56.400 -0.537 0.000 0.805 233 E CB -0.171 28.926 29.700 -1.005 0.000 0.744 233 E HN 0.343 nan 8.360 nan 0.000 0.451 234 K N 0.386 120.688 120.400 -0.163 0.000 2.057 234 K HA -0.043 4.277 4.320 -0.001 0.000 0.206 234 K C 2.400 178.967 176.600 -0.055 0.000 1.050 234 K CA 1.794 58.037 56.287 -0.073 0.000 0.935 234 K CB -0.234 32.239 32.500 -0.045 0.000 0.715 234 K HN 0.136 nan 8.250 nan 0.000 0.439 235 T N 1.226 115.742 114.554 -0.064 0.000 2.746 235 T HA -0.135 4.215 4.350 -0.001 0.000 0.267 235 T C 2.050 176.719 174.700 -0.052 0.000 1.039 235 T CA 1.316 63.388 62.100 -0.047 0.000 1.142 235 T CB -0.277 68.566 68.868 -0.041 0.000 0.866 235 T HN 0.329 nan 8.240 nan 0.000 0.444 236 A N 1.291 124.069 122.820 -0.070 0.000 1.940 236 A HA -0.224 4.096 4.320 -0.001 0.000 0.219 236 A C 2.272 179.822 177.584 -0.057 0.000 1.176 236 A CA 2.084 54.083 52.037 -0.064 0.000 0.631 236 A CB -0.765 18.189 19.000 -0.077 0.000 0.814 236 A HN 0.595 nan 8.150 nan 0.000 0.446 237 Q N -0.613 119.158 119.800 -0.048 0.000 2.046 237 Q HA -0.059 4.280 4.340 -0.001 0.000 0.200 237 Q C 2.185 178.179 176.000 -0.010 0.000 0.975 237 Q CA 1.619 57.410 55.803 -0.020 0.000 0.836 237 Q CB -0.396 28.356 28.738 0.023 0.000 0.896 237 Q HN 0.569 nan 8.270 nan 0.000 0.428 238 A N 1.013 123.827 122.820 -0.010 0.000 1.883 238 A HA -0.201 4.119 4.320 -0.001 0.000 0.217 238 A C 2.095 179.663 177.584 -0.027 0.000 1.186 238 A CA 1.550 53.583 52.037 -0.006 0.000 0.624 238 A CB -0.944 18.050 19.000 -0.010 0.000 0.822 238 A HN 0.480 nan 8.150 nan 0.000 0.444 239 L N -0.734 120.463 121.223 -0.044 0.000 1.989 239 L HA -0.232 4.107 4.340 -0.001 0.000 0.211 239 L C 2.677 179.498 176.870 -0.082 0.000 1.071 239 L CA 1.499 56.300 54.840 -0.064 0.000 0.749 239 L CB -0.655 41.362 42.059 -0.069 0.000 0.890 239 L HN 0.399 nan 8.230 nan 0.000 0.431 240 L N -0.622 120.548 121.223 -0.089 0.000 2.042 240 L HA -0.228 4.112 4.340 -0.001 0.000 0.210 240 L C 2.580 179.350 176.870 -0.166 0.000 1.076 240 L CA 1.377 56.139 54.840 -0.132 0.000 0.749 240 L CB -0.602 41.372 42.059 -0.142 0.000 0.893 240 L HN 0.313 nan 8.230 nan 0.000 0.432 241 E N 0.194 120.342 120.200 -0.087 0.000 2.153 241 E HA -0.221 4.129 4.350 -0.001 0.000 0.194 241 E C 2.150 178.711 176.600 -0.065 0.000 0.988 241 E CA 0.996 57.374 56.400 -0.036 0.000 0.811 241 E CB -0.007 29.751 29.700 0.097 0.000 0.746 241 E HN 0.466 nan 8.360 nan 0.000 0.466 242 K N 0.126 120.490 120.400 -0.060 0.000 2.148 242 K HA -0.095 4.225 4.320 -0.001 0.000 0.204 242 K C 1.771 178.318 176.600 -0.088 0.000 1.050 242 K CA 0.805 57.060 56.287 -0.053 0.000 0.942 242 K CB 0.092 32.565 32.500 -0.046 0.000 0.724 242 K HN 0.054 nan 8.250 nan 0.000 0.446 243 I N 0.209 120.700 120.570 -0.132 0.000 3.645 243 I HA -0.004 4.165 4.170 -0.001 0.000 0.300 243 I C 1.978 177.972 176.117 -0.205 0.000 1.260 243 I CA 0.261 61.482 61.300 -0.132 0.000 1.365 243 I CB 0.076 38.005 38.000 -0.118 0.000 1.077 243 I HN 0.001 nan 8.210 nan 0.000 0.439 244 A N 1.569 124.129 122.820 -0.433 0.000 1.908 244 A HA -0.110 4.210 4.320 -0.001 0.000 0.218 244 A C 0.075 177.239 177.584 -0.700 0.000 1.181 244 A CA 1.784 53.268 52.037 -0.922 0.000 0.627 244 A CB -1.989 15.832 19.000 -1.965 0.000 0.818 244 A HN 0.244 nan 8.150 nan 0.000 0.445 245 P HA -0.134 nan 4.420 nan 0.000 0.217 245 P C 1.250 178.565 177.300 0.026 0.000 1.148 245 P CA 1.979 65.106 63.100 0.046 0.000 0.834 245 P CB -0.165 31.589 31.700 0.090 0.000 0.783 246 G N -4.402 104.380 108.800 -0.031 0.000 3.228 246 G HA2 0.018 3.977 3.960 -0.001 0.000 0.245 246 G HA3 0.018 3.977 3.960 -0.001 0.000 0.245 246 G C -0.525 174.405 174.900 0.051 0.000 1.051 246 G CA 0.224 45.333 45.100 0.015 0.000 0.809 246 G HN 0.187 nan 8.290 nan 0.000 0.531 247 Y N 1.748 121.953 120.300 -0.158 0.000 2.544 247 Y HA 0.355 4.904 4.550 -0.001 0.000 0.347 247 Y C -2.012 173.745 175.900 -0.239 0.000 1.089 247 Y CA -2.633 55.375 58.100 -0.154 0.000 1.230 247 Y CB 2.075 40.441 38.460 -0.156 0.000 1.101 247 Y HN -0.013 nan 8.280 nan 0.000 0.641 248 P HA -0.185 nan 4.420 nan 0.000 0.223 248 P C 1.180 178.295 177.300 -0.308 0.000 1.144 248 P CA 1.711 64.629 63.100 -0.303 0.000 0.783 248 P CB 0.224 31.930 31.700 0.011 0.000 0.771 249 A N 0.163 122.665 122.820 -0.530 0.000 2.070 249 A HA -0.102 4.218 4.320 -0.001 0.000 0.220 249 A C 2.391 179.828 177.584 -0.246 0.000 1.159 249 A CA 1.552 53.363 52.037 -0.376 0.000 0.656 249 A CB -1.356 17.331 19.000 -0.520 0.000 0.800 249 A HN 0.188 nan 8.150 nan 0.000 0.453 250 S N -1.178 114.336 115.700 -0.310 0.000 2.442 250 S HA -0.181 4.289 4.470 -0.001 0.000 0.236 250 S C 1.425 175.879 174.600 -0.243 0.000 1.007 250 S CA 1.029 59.092 58.200 -0.229 0.000 0.965 250 S CB -0.480 62.560 63.200 -0.266 0.000 0.773 250 S HN 0.824 nan 8.310 nan 0.000 0.504 251 W N 1.062 122.302 121.300 -0.100 0.000 2.358 251 W HA -0.118 4.541 4.660 -0.001 0.000 0.303 251 W C 2.213 178.650 176.519 -0.137 0.000 1.208 251 W CA 0.254 57.536 57.345 -0.105 0.000 1.274 251 W CB -0.655 28.787 29.460 -0.029 0.000 1.138 251 W HN 0.054 nan 8.180 nan 0.000 0.515 252 V N 0.252 120.233 119.914 0.111 0.000 2.343 252 V HA -0.325 3.794 4.120 -0.001 0.000 0.247 252 V C 2.118 178.192 176.094 -0.033 0.000 1.051 252 V CA 2.263 64.575 62.300 0.020 0.000 1.036 252 V CB -1.207 30.612 31.823 -0.007 0.000 0.654 252 V HN 0.130 nan 8.190 nan 0.000 0.451 253 S N 0.214 115.884 115.700 -0.051 0.000 2.383 253 S HA -0.153 4.316 4.470 -0.001 0.000 0.229 253 S C 1.929 176.472 174.600 -0.095 0.000 1.030 253 S CA 1.510 59.677 58.200 -0.055 0.000 1.002 253 S CB -0.422 62.751 63.200 -0.045 0.000 0.829 253 S HN 0.462 nan 8.310 nan 0.000 0.467 254 L N 1.202 122.304 121.223 -0.201 0.000 1.994 254 L HA -0.142 4.198 4.340 -0.001 0.000 0.208 254 L C 2.923 179.619 176.870 -0.289 0.000 1.071 254 L CA 1.251 55.839 54.840 -0.419 0.000 0.745 254 L CB -0.827 40.644 42.059 -0.980 0.000 0.892 254 L HN 0.355 nan 8.230 nan 0.000 0.431 255 A N -0.276 122.452 122.820 -0.154 0.000 1.873 255 A HA -0.334 3.985 4.320 -0.001 0.000 0.218 255 A C 2.187 179.751 177.584 -0.034 0.000 1.193 255 A CA 2.184 54.223 52.037 0.003 0.000 0.629 255 A CB -0.757 18.238 19.000 -0.008 0.000 0.826 255 A HN 0.436 nan 8.150 nan 0.000 0.447 256 Q N -0.802 118.970 119.800 -0.047 0.000 2.234 256 Q HA -0.136 4.203 4.340 -0.001 0.000 0.206 256 Q C 1.726 177.782 176.000 0.094 0.000 0.980 256 Q CA 1.687 57.476 55.803 -0.023 0.000 0.869 256 Q CB -0.499 28.208 28.738 -0.053 0.000 0.912 256 Q HN 0.532 nan 8.270 nan 0.000 0.436 257 L N -0.701 120.576 121.223 0.090 0.000 2.141 257 L HA -0.011 4.329 4.340 -0.001 0.000 0.209 257 L C 1.790 178.847 176.870 0.311 0.000 1.094 257 L CA 1.448 56.412 54.840 0.206 0.000 0.763 257 L CB -0.265 41.860 42.059 0.110 0.000 0.908 257 L HN 0.351 nan 8.230 nan 0.000 0.437 258 L N -2.189 119.170 121.223 0.226 0.000 2.072 258 L HA -0.197 4.142 4.340 -0.001 0.000 0.205 258 L C 2.430 179.484 176.870 0.307 0.000 1.079 258 L CA 1.101 56.117 54.840 0.293 0.000 0.752 258 L CB -0.700 41.500 42.059 0.235 0.000 0.906 258 L HN 0.308 nan 8.230 nan 0.000 0.436 259 Y N 1.309 121.592 120.300 -0.028 0.000 2.207 259 Y HA -0.309 4.241 4.550 -0.001 0.000 0.287 259 Y C 2.086 178.053 175.900 0.111 0.000 1.156 259 Y CA 1.848 59.934 58.100 -0.024 0.000 1.182 259 Y CB -0.188 38.164 38.460 -0.179 0.000 0.979 259 Y HN 0.256 nan 8.280 nan 0.000 0.521 260 D N -1.155 119.405 120.400 0.268 0.000 2.347 260 D HA -0.021 4.619 4.640 -0.001 0.000 0.213 260 D C -0.306 175.678 176.300 -0.527 0.000 0.985 260 D CA 0.836 54.791 54.000 -0.075 0.000 0.879 260 D CB -0.002 40.737 40.800 -0.102 0.000 0.919 260 D HN 0.303 nan 8.370 nan 0.000 0.526 261 F N 0.493 120.541 119.950 0.163 0.000 2.593 261 F HA 0.219 4.746 4.527 -0.001 0.000 0.336 261 F C -1.678 174.230 175.800 0.180 0.000 1.491 261 F CA -1.719 56.361 58.000 0.134 0.000 1.114 261 F CB 1.537 40.605 39.000 0.113 0.000 1.468 261 F HN -0.221 nan 8.300 nan 0.000 0.579 262 P HA -0.228 nan 4.420 nan 0.000 0.219 262 P C 1.008 178.411 177.300 0.171 0.000 1.144 262 P CA 1.994 65.279 63.100 0.309 0.000 0.806 262 P CB 0.144 31.900 31.700 0.094 0.000 0.771 263 E N -0.401 119.891 120.200 0.152 0.000 2.463 263 E HA 0.346 4.696 4.350 -0.001 0.000 0.191 263 E C 1.454 178.124 176.600 0.115 0.000 1.083 263 E CA 0.800 57.258 56.400 0.097 0.000 0.872 263 E CB -1.053 28.695 29.700 0.080 0.000 0.966 263 E HN 0.385 nan 8.360 nan 0.000 0.491 264 L N -1.353 119.971 121.223 0.169 0.000 3.313 264 L HA 0.779 5.119 4.340 -0.001 0.000 0.320 264 L C 0.724 177.701 176.870 0.178 0.000 1.304 264 L CA 0.074 55.002 54.840 0.147 0.000 0.920 264 L CB 0.273 42.410 42.059 0.131 0.000 1.357 264 L HN 0.731 nan 8.230 nan 0.000 0.602 265 G N -1.271 107.647 108.800 0.196 0.000 2.596 265 G HA2 0.507 4.466 3.960 -0.001 0.000 0.296 265 G HA3 0.507 4.466 3.960 -0.001 0.000 0.296 265 G C -1.632 173.408 174.900 0.232 0.000 1.513 265 G CA -0.201 45.027 45.100 0.213 0.000 0.851 265 G HN 0.100 nan 8.290 nan 0.000 0.548 266 D N 0.063 120.564 120.400 0.168 0.000 2.478 266 D HA 0.327 4.967 4.640 -0.001 0.000 0.263 266 D C 2.058 178.536 176.300 0.295 0.000 1.153 266 D CA 0.025 54.119 54.000 0.156 0.000 1.038 266 D CB 1.895 42.733 40.800 0.064 0.000 1.120 266 D HN 0.592 nan 8.370 nan 0.000 0.564 267 V N -2.172 117.900 119.914 0.264 0.000 2.759 267 V HA -0.142 3.978 4.120 -0.001 0.000 0.256 267 V C 2.018 178.191 176.094 0.131 0.000 1.080 267 V CA 2.203 64.697 62.300 0.323 0.000 1.101 267 V CB -1.327 30.642 31.823 0.244 0.000 0.698 267 V HN 0.621 nan 8.190 nan 0.000 0.477 268 E N 0.188 120.430 120.200 0.070 0.000 2.023 268 E HA -0.278 4.072 4.350 -0.001 0.000 0.196 268 E C 2.136 178.691 176.600 -0.075 0.000 1.003 268 E CA 1.843 58.240 56.400 -0.006 0.000 0.809 268 E CB -0.860 28.831 29.700 -0.015 0.000 0.755 268 E HN 0.679 nan 8.360 nan 0.000 0.449 269 Q N -1.040 118.701 119.800 -0.098 0.000 1.975 269 Q HA -0.162 4.177 4.340 -0.001 0.000 0.205 269 Q C 2.406 178.216 176.000 -0.317 0.000 0.990 269 Q CA 2.014 57.628 55.803 -0.316 0.000 0.845 269 Q CB -0.624 27.948 28.738 -0.276 0.000 0.913 269 Q HN 0.585 nan 8.270 nan 0.000 0.420 270 M N 0.489 120.051 119.600 -0.063 0.000 2.405 270 M HA -0.266 4.214 4.480 -0.001 0.000 0.256 270 M C 1.821 178.084 176.300 -0.062 0.000 1.067 270 M CA 1.860 57.149 55.300 -0.018 0.000 1.073 270 M CB -0.546 31.987 32.600 -0.112 0.000 1.273 270 M HN 0.165 nan 8.290 nan 0.000 0.443 271 M N -0.652 118.901 119.600 -0.079 0.000 2.346 271 M HA -0.167 4.312 4.480 -0.001 0.000 0.263 271 M C 2.126 178.351 176.300 -0.124 0.000 1.064 271 M CA 1.676 56.918 55.300 -0.096 0.000 1.083 271 M CB -1.431 31.134 32.600 -0.059 0.000 1.399 271 M HN 0.472 nan 8.290 nan 0.000 0.435 272 K N -0.406 119.887 120.400 -0.177 0.000 2.021 272 K HA -0.127 4.193 4.320 -0.001 0.000 0.205 272 K C 1.960 178.423 176.600 -0.230 0.000 1.047 272 K CA 1.034 57.177 56.287 -0.240 0.000 0.943 272 K CB -0.017 32.289 32.500 -0.323 0.000 0.725 272 K HN 0.067 nan 8.250 nan 0.000 0.439 273 Y N 1.477 121.684 120.300 -0.155 0.000 2.151 273 Y HA -0.219 4.331 4.550 -0.000 0.000 0.284 273 Y C 2.030 177.844 175.900 -0.144 0.000 1.166 273 Y CA 1.101 59.138 58.100 -0.104 0.000 1.163 273 Y CB -0.601 37.900 38.460 0.068 0.000 0.974 273 Y HN 0.039 nan 8.280 nan 0.000 0.511 274 L N -0.631 120.607 121.223 0.026 0.000 2.093 274 L HA -0.201 4.139 4.340 -0.001 0.000 0.208 274 L C 2.020 178.821 176.870 -0.115 0.000 1.085 274 L CA 1.265 56.070 54.840 -0.059 0.000 0.755 274 L CB -0.493 41.494 42.059 -0.120 0.000 0.904 274 L HN 0.145 nan 8.230 nan 0.000 0.435 275 D N -0.002 120.306 120.400 -0.153 0.000 2.117 275 D HA -0.155 4.484 4.640 -0.001 0.000 0.197 275 D C 1.948 178.111 176.300 -0.229 0.000 0.987 275 D CA 0.989 54.891 54.000 -0.164 0.000 0.829 275 D CB -0.293 40.408 40.800 -0.164 0.000 0.961 275 D HN 0.267 nan 8.370 nan 0.000 0.460 276 N N 0.669 119.121 118.700 -0.413 0.000 2.104 276 N HA -0.118 4.621 4.740 -0.001 0.000 0.190 276 N C 1.952 177.235 175.510 -0.378 0.000 1.024 276 N CA 1.327 53.943 53.050 -0.723 0.000 0.853 276 N CB -0.601 36.733 38.487 -1.923 0.000 1.008 276 N HN 0.245 nan 8.380 nan 0.000 0.424 277 G N 1.247 109.949 108.800 -0.163 0.000 2.404 277 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.215 277 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.215 277 G C 1.725 176.629 174.900 0.008 0.000 1.174 277 G CA 0.339 45.472 45.100 0.056 0.000 0.780 277 G HN 0.285 nan 8.290 nan 0.000 0.537 278 R N 0.470 120.945 120.500 -0.042 0.000 2.081 278 R HA 0.011 4.350 4.340 -0.001 0.000 0.235 278 R C 3.017 179.307 176.300 -0.016 0.000 1.131 278 R CA 1.119 57.203 56.100 -0.026 0.000 0.960 278 R CB -0.393 29.884 30.300 -0.037 0.000 0.856 278 R HN 0.351 nan 8.270 nan 0.000 0.436 279 A N 1.228 124.024 122.820 -0.039 0.000 1.933 279 A HA -0.082 4.237 4.320 -0.001 0.000 0.218 279 A C 2.203 179.793 177.584 0.010 0.000 1.175 279 A CA 1.654 53.675 52.037 -0.026 0.000 0.628 279 A CB -0.419 18.546 19.000 -0.059 0.000 0.814 279 A HN 0.389 nan 8.150 nan 0.000 0.444 280 A N -1.367 121.476 122.820 0.038 0.000 2.235 280 A HA 0.270 4.590 4.320 -0.001 0.000 0.208 280 A C 0.840 178.446 177.584 0.037 0.000 1.172 280 A CA 1.241 53.319 52.037 0.069 0.000 0.786 280 A CB -0.446 18.642 19.000 0.147 0.000 0.804 280 A HN 0.735 nan 8.150 nan 0.000 0.479 281 D N -1.420 118.995 120.400 0.025 0.000 2.873 281 D HA -0.118 4.521 4.640 -0.001 0.000 0.228 281 D C -0.528 175.781 176.300 0.014 0.000 1.122 281 D CA 0.678 54.688 54.000 0.018 0.000 0.758 281 D CB -1.393 39.415 40.800 0.015 0.000 1.094 281 D HN 0.389 nan 8.370 nan 0.000 0.434 282 Q N -0.400 119.411 119.800 0.017 0.000 2.441 282 Q HA 0.259 4.598 4.340 -0.001 0.000 0.234 282 Q C -1.596 174.410 176.000 0.011 0.000 1.078 282 Q CA -1.600 54.208 55.803 0.008 0.000 0.907 282 Q CB 1.174 29.920 28.738 0.013 0.000 1.269 282 Q HN 0.269 nan 8.270 nan 0.000 0.502 283 P HA -0.205 nan 4.420 nan 0.000 0.218 283 P C 0.857 178.174 177.300 0.028 0.000 1.150 283 P CA 1.397 64.514 63.100 0.028 0.000 0.841 283 P CB 0.265 31.984 31.700 0.033 0.000 0.784 284 R N -1.024 119.485 120.500 0.015 0.000 2.237 284 R HA 0.021 4.360 4.340 -0.001 0.000 0.219 284 R C 2.121 178.411 176.300 -0.017 0.000 1.080 284 R CA 1.021 57.125 56.100 0.007 0.000 0.995 284 R CB -0.641 29.657 30.300 -0.003 0.000 0.875 284 R HN 0.208 nan 8.270 nan 0.000 0.462 285 A N 1.331 124.140 122.820 -0.019 0.000 1.897 285 A HA -0.127 4.193 4.320 -0.001 0.000 0.215 285 A C 1.850 179.380 177.584 -0.090 0.000 1.181 285 A CA 0.969 52.977 52.037 -0.049 0.000 0.620 285 A CB -0.075 18.908 19.000 -0.029 0.000 0.821 285 A HN 0.100 nan 8.150 nan 0.000 0.443 286 E N -0.250 119.922 120.200 -0.046 0.000 2.077 286 E HA -0.181 4.168 4.350 -0.001 0.000 0.193 286 E C 1.959 178.526 176.600 -0.055 0.000 0.989 286 E CA 0.970 57.344 56.400 -0.043 0.000 0.800 286 E CB -0.612 29.121 29.700 0.055 0.000 0.746 286 E HN 0.446 nan 8.360 nan 0.000 0.452 287 L N 0.814 122.051 121.223 0.023 0.000 1.971 287 L HA -0.195 4.145 4.340 -0.001 0.000 0.215 287 L C 2.395 179.250 176.870 -0.024 0.000 1.072 287 L CA 1.398 56.298 54.840 0.100 0.000 0.758 287 L CB -0.823 41.292 42.059 0.095 0.000 0.889 287 L HN 0.155 nan 8.230 nan 0.000 0.433 288 L N -1.307 119.848 121.223 -0.114 0.000 2.093 288 L HA -0.159 4.181 4.340 -0.001 0.000 0.208 288 L C 2.297 179.001 176.870 -0.276 0.000 1.085 288 L CA 1.524 56.245 54.840 -0.200 0.000 0.755 288 L CB -0.716 41.222 42.059 -0.202 0.000 0.904 288 L HN 0.342 nan 8.230 nan 0.000 0.435 289 L N -0.932 120.094 121.223 -0.329 0.000 2.017 289 L HA -0.122 4.218 4.340 -0.001 0.000 0.208 289 L C 2.249 178.777 176.870 -0.570 0.000 1.073 289 L CA 1.671 56.206 54.840 -0.508 0.000 0.745 289 L CB -0.877 40.807 42.059 -0.625 0.000 0.894 289 L HN 0.413 nan 8.230 nan 0.000 0.432 290 G N -0.838 107.634 108.800 -0.546 0.000 2.471 290 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.219 290 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.219 290 G C 1.640 176.163 174.900 -0.627 0.000 1.125 290 G CA 0.723 45.332 45.100 -0.817 0.000 0.775 290 G HN 0.351 nan 8.290 nan 0.000 0.548 291 K N -0.148 120.086 120.400 -0.277 0.000 2.167 291 K HA 0.179 4.499 4.320 -0.001 0.000 0.203 291 K C 2.345 179.000 176.600 0.091 0.000 1.052 291 K CA 0.207 56.496 56.287 0.003 0.000 0.956 291 K CB -0.151 32.228 32.500 -0.202 0.000 0.735 291 K HN 0.300 nan 8.250 nan 0.000 0.451 292 L N -0.030 121.134 121.223 -0.098 0.000 2.005 292 L HA -0.181 4.158 4.340 -0.001 0.000 0.207 292 L C 1.874 178.780 176.870 0.059 0.000 1.072 292 L CA 1.232 56.033 54.840 -0.065 0.000 0.744 292 L CB -0.499 41.377 42.059 -0.305 0.000 0.895 292 L HN 0.208 nan 8.230 nan 0.000 0.433 293 Y N -1.864 118.472 120.300 0.060 0.000 2.632 293 Y HA -0.199 4.350 4.550 -0.001 0.000 0.301 293 Y C 2.098 178.093 175.900 0.157 0.000 1.172 293 Y CA 0.273 58.422 58.100 0.082 0.000 1.328 293 Y CB -0.817 37.674 38.460 0.052 0.000 1.016 293 Y HN 0.199 nan 8.280 nan 0.000 0.529 294 Y N 1.214 121.646 120.300 0.220 0.000 2.436 294 Y HA 0.023 4.573 4.550 -0.001 0.000 0.288 294 Y C 1.742 177.804 175.900 0.270 0.000 1.112 294 Y CA 1.174 59.446 58.100 0.286 0.000 1.220 294 Y CB 0.154 38.841 38.460 0.379 0.000 1.073 294 Y HN 0.270 nan 8.280 nan 0.000 0.552 295 E N -0.943 119.341 120.200 0.140 0.000 2.489 295 E HA 0.220 4.569 4.350 -0.001 0.000 0.204 295 E C 1.258 177.900 176.600 0.069 0.000 1.006 295 E CA 0.342 56.768 56.400 0.042 0.000 0.936 295 E CB 0.052 29.877 29.700 0.207 0.000 1.002 295 E HN 0.310 nan 8.360 nan 0.000 0.488 296 G N 1.532 110.405 108.800 0.122 0.000 2.357 296 G HA2 -0.329 3.631 3.960 -0.001 0.000 0.282 296 G HA3 -0.329 3.631 3.960 -0.001 0.000 0.282 296 G C 0.626 175.584 174.900 0.095 0.000 0.910 296 G CA 0.994 46.164 45.100 0.118 0.000 1.267 296 G HN 0.540 nan 8.290 nan 0.000 0.476 297 K N -1.744 118.748 120.400 0.155 0.000 2.412 297 K HA 0.413 4.733 4.320 -0.001 0.000 0.202 297 K C 1.570 178.159 176.600 -0.018 0.000 1.102 297 K CA 0.927 57.256 56.287 0.071 0.000 1.027 297 K CB -0.017 32.540 32.500 0.095 0.000 0.931 297 K HN 0.513 nan 8.250 nan 0.000 0.557 298 W N -0.004 121.296 121.300 -0.001 0.000 2.866 298 W HA 0.308 4.967 4.660 -0.001 0.000 0.258 298 W C 0.593 177.119 176.519 0.012 0.000 1.183 298 W CA 0.769 58.111 57.345 -0.004 0.000 1.451 298 W CB 1.128 30.586 29.460 -0.004 0.000 0.959 298 W HN 0.139 nan 8.180 nan 0.000 0.622 299 V N -2.782 117.274 119.914 0.237 0.000 3.159 299 V HA 0.617 4.737 4.120 -0.001 0.000 0.308 299 V C -2.545 173.647 176.094 0.163 0.000 1.190 299 V CA -3.027 59.388 62.300 0.193 0.000 1.037 299 V CB 1.160 33.139 31.823 0.260 0.000 1.060 299 V HN -0.234 nan 8.190 nan 0.000 0.437 300 P HA 0.170 nan 4.420 nan 0.000 0.261 300 P C 0.187 177.543 177.300 0.093 0.000 1.203 300 P CA 0.731 63.877 63.100 0.077 0.000 0.767 300 P CB 0.447 32.173 31.700 0.044 0.000 0.785 301 A N 3.897 126.750 122.820 0.054 0.000 2.580 301 A HA 0.022 4.342 4.320 -0.001 0.000 0.244 301 A C 0.504 178.096 177.584 0.014 0.000 1.045 301 A CA 0.531 52.591 52.037 0.038 0.000 0.761 301 A CB -0.368 18.600 19.000 -0.053 0.000 0.962 301 A HN 0.633 nan 8.150 nan 0.000 0.512 302 D N 2.052 122.476 120.400 0.040 0.000 2.788 302 D HA 0.520 5.160 4.640 -0.001 0.000 0.247 302 D C 0.647 176.962 176.300 0.025 0.000 1.236 302 D CA 0.172 54.151 54.000 -0.037 0.000 0.898 302 D CB 1.835 42.512 40.800 -0.205 0.000 1.401 302 D HN 0.395 nan 8.370 nan 0.000 0.549 303 A N 3.951 126.790 122.820 0.031 0.000 1.854 303 A HA 0.001 4.321 4.320 -0.001 0.000 0.214 303 A C 2.095 179.742 177.584 0.105 0.000 1.192 303 A CA 2.003 54.107 52.037 0.113 0.000 0.611 303 A CB -0.580 18.489 19.000 0.115 0.000 0.832 303 A HN 0.613 nan 8.150 nan 0.000 0.442 304 K N -0.428 119.995 120.400 0.039 0.000 2.288 304 K HA 0.404 4.724 4.320 -0.001 0.000 0.201 304 K C 2.199 178.771 176.600 -0.047 0.000 1.048 304 K CA 1.536 57.834 56.287 0.019 0.000 0.956 304 K CB -1.120 31.383 32.500 0.004 0.000 0.746 304 K HN 0.778 nan 8.250 nan 0.000 0.461 305 A N 1.210 123.964 122.820 -0.109 0.000 1.855 305 A HA 0.281 4.600 4.320 -0.001 0.000 0.215 305 A C 2.808 180.352 177.584 -0.067 0.000 1.191 305 A CA 1.919 53.837 52.037 -0.197 0.000 0.613 305 A CB -0.915 17.798 19.000 -0.478 0.000 0.829 305 A HN 0.816 nan 8.150 nan 0.000 0.442 306 A N -0.067 122.788 122.820 0.059 0.000 1.865 306 A HA -0.252 4.067 4.320 -0.001 0.000 0.217 306 A C 2.073 179.569 177.584 -0.147 0.000 1.191 306 A CA 2.052 54.043 52.037 -0.076 0.000 0.623 306 A CB -0.744 18.316 19.000 0.098 0.000 0.826 306 A HN 0.709 nan 8.150 nan 0.000 0.444 307 E N -0.007 120.237 120.200 0.073 0.000 2.070 307 E HA -0.196 4.154 4.350 -0.001 0.000 0.197 307 E C 2.123 178.748 176.600 0.042 0.000 1.004 307 E CA 1.390 57.866 56.400 0.127 0.000 0.805 307 E CB -0.348 29.412 29.700 0.100 0.000 0.744 307 E HN 0.519 nan 8.360 nan 0.000 0.451 308 A N 0.620 123.398 122.820 -0.070 0.000 1.873 308 A HA -0.253 4.066 4.320 -0.001 0.000 0.218 308 A C 1.869 179.346 177.584 -0.178 0.000 1.193 308 A CA 2.089 54.032 52.037 -0.156 0.000 0.629 308 A CB -1.134 17.690 19.000 -0.293 0.000 0.826 308 A HN 0.500 nan 8.150 nan 0.000 0.447 309 H N -2.156 116.865 119.070 -0.081 0.000 2.326 309 H HA -0.067 4.489 4.556 -0.001 0.000 0.301 309 H C 1.835 177.119 175.328 -0.073 0.000 1.081 309 H CA 1.809 57.783 56.048 -0.123 0.000 1.334 309 H CB -0.228 29.399 29.762 -0.223 0.000 1.385 309 H HN 0.515 nan 8.280 nan 0.000 0.504 310 F N 0.907 120.925 119.950 0.113 0.000 2.171 310 F HA -0.139 4.388 4.527 -0.000 0.000 0.300 310 F C 2.441 178.277 175.800 0.060 0.000 1.090 310 F CA 1.241 59.275 58.000 0.056 0.000 1.293 310 F CB -0.565 38.441 39.000 0.011 0.000 1.013 310 F HN 0.213 nan 8.300 nan 0.000 0.486 311 E N 0.482 120.819 120.200 0.228 0.000 2.118 311 E HA -0.223 4.126 4.350 -0.001 0.000 0.195 311 E C 1.874 178.547 176.600 0.123 0.000 0.992 311 E CA 1.330 57.825 56.400 0.159 0.000 0.804 311 E CB -0.066 29.697 29.700 0.106 0.000 0.741 311 E HN 0.320 nan 8.360 nan 0.000 0.458 312 K N -0.784 119.680 120.400 0.106 0.000 2.439 312 K HA -0.008 4.311 4.320 -0.001 0.000 0.197 312 K C 1.466 178.122 176.600 0.092 0.000 1.041 312 K CA 0.646 56.985 56.287 0.086 0.000 0.970 312 K CB 0.301 32.850 32.500 0.081 0.000 0.773 312 K HN 0.079 nan 8.250 nan 0.000 0.479 313 A N 0.698 123.591 122.820 0.122 0.000 2.252 313 A HA 0.097 4.416 4.320 -0.001 0.000 0.213 313 A C 0.684 178.327 177.584 0.098 0.000 1.188 313 A CA -0.230 51.873 52.037 0.110 0.000 0.863 313 A CB 0.428 19.513 19.000 0.141 0.000 0.893 313 A HN 0.008 nan 8.150 nan 0.000 0.495 314 V N 0.919 120.898 119.914 0.109 0.000 2.539 314 V HA 0.317 4.436 4.120 -0.001 0.000 0.300 314 V C 1.609 177.737 176.094 0.056 0.000 1.019 314 V CA 1.786 64.138 62.300 0.088 0.000 1.160 314 V CB 0.016 31.900 31.823 0.102 0.000 0.901 314 V HN 1.167 nan 8.190 nan 0.000 0.481 315 G N 5.082 113.907 108.800 0.041 0.000 2.175 315 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.244 315 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.244 315 G C 0.779 175.696 174.900 0.028 0.000 0.982 315 G CA 0.508 45.624 45.100 0.027 0.000 0.641 315 G HN 0.672 nan 8.290 nan 0.000 0.527 316 R N -0.685 119.837 120.500 0.038 0.000 2.507 316 R HA 0.261 4.601 4.340 -0.001 0.000 0.230 316 R C -0.399 175.923 176.300 0.037 0.000 0.897 316 R CA 0.035 56.155 56.100 0.034 0.000 1.006 316 R CB 0.822 31.143 30.300 0.036 0.000 1.341 316 R HN 0.292 nan 8.270 nan 0.000 0.604 317 E N 1.139 121.369 120.200 0.049 0.000 2.294 317 E HA 0.117 4.466 4.350 -0.001 0.000 0.272 317 E C 0.575 177.210 176.600 0.059 0.000 0.896 317 E CA -0.237 56.195 56.400 0.054 0.000 0.802 317 E CB 2.611 32.352 29.700 0.069 0.000 1.267 317 E HN -0.219 nan 8.360 nan 0.000 0.406 318 V N 1.802 121.743 119.914 0.044 0.000 2.469 318 V HA -0.299 3.820 4.120 -0.001 0.000 0.251 318 V C 2.170 178.297 176.094 0.055 0.000 1.064 318 V CA 2.534 64.856 62.300 0.038 0.000 1.066 318 V CB -0.614 31.220 31.823 0.018 0.000 0.667 318 V HN 0.748 nan 8.190 nan 0.000 0.461 319 A N -0.006 122.858 122.820 0.073 0.000 2.019 319 A HA -0.070 4.249 4.320 -0.001 0.000 0.219 319 A C 2.461 180.126 177.584 0.135 0.000 1.164 319 A CA 1.819 53.931 52.037 0.125 0.000 0.644 319 A CB -0.657 18.451 19.000 0.181 0.000 0.805 319 A HN 0.581 nan 8.150 nan 0.000 0.449 320 A N 0.535 123.421 122.820 0.110 0.000 1.869 320 A HA -0.297 4.023 4.320 -0.001 0.000 0.218 320 A C 1.815 179.402 177.584 0.005 0.000 1.203 320 A CA 2.009 54.091 52.037 0.075 0.000 0.638 320 A CB -0.827 18.257 19.000 0.140 0.000 0.831 320 A HN 0.499 nan 8.150 nan 0.000 0.450 321 D N -2.017 118.425 120.400 0.069 0.000 2.190 321 D HA -0.184 4.456 4.640 -0.001 0.000 0.200 321 D C 1.651 177.978 176.300 0.044 0.000 0.992 321 D CA 1.849 55.912 54.000 0.105 0.000 0.854 321 D CB -0.293 40.546 40.800 0.065 0.000 0.936 321 D HN 0.688 nan 8.370 nan 0.000 0.462 322 Y N 0.104 120.318 120.300 -0.144 0.000 2.243 322 Y HA -0.201 4.349 4.550 -0.001 0.000 0.293 322 Y C 1.898 177.529 175.900 -0.449 0.000 1.124 322 Y CA 1.209 59.151 58.100 -0.263 0.000 1.159 322 Y CB -0.549 37.728 38.460 -0.305 0.000 1.008 322 Y HN -0.105 nan 8.280 nan 0.000 0.527 323 Y N -0.096 119.752 120.300 -0.754 0.000 2.373 323 Y HA -0.108 4.442 4.550 -0.000 0.000 0.293 323 Y C 2.279 177.537 175.900 -1.069 0.000 1.129 323 Y CA 1.180 58.545 58.100 -1.224 0.000 1.226 323 Y CB -0.246 37.124 38.460 -1.818 0.000 1.000 323 Y HN 0.143 nan 8.280 nan 0.000 0.549 324 L N -1.501 119.350 121.223 -0.620 0.000 2.217 324 L HA -0.088 4.252 4.340 -0.001 0.000 0.211 324 L C 2.483 178.910 176.870 -0.738 0.000 1.107 324 L CA 1.083 55.565 54.840 -0.598 0.000 0.783 324 L CB -0.838 41.013 42.059 -0.346 0.000 0.919 324 L HN 0.301 nan 8.230 nan 0.000 0.442 325 G N -1.076 107.454 108.800 -0.449 0.000 2.402 325 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.216 325 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.216 325 G C 1.481 176.174 174.900 -0.344 0.000 1.162 325 G CA 0.078 45.014 45.100 -0.274 0.000 0.777 325 G HN 0.217 nan 8.290 nan 0.000 0.539 326 Q N 0.371 119.853 119.800 -0.530 0.000 2.020 326 Q HA -0.032 4.308 4.340 -0.001 0.000 0.202 326 Q C 2.733 178.527 176.000 -0.344 0.000 0.982 326 Q CA 0.887 56.423 55.803 -0.445 0.000 0.838 326 Q CB -0.485 27.913 28.738 -0.567 0.000 0.899 326 Q HN 0.556 nan 8.270 nan 0.000 0.423 327 I N 0.132 120.489 120.570 -0.354 0.000 2.145 327 I HA -0.324 3.846 4.170 -0.001 0.000 0.244 327 I C 1.974 178.050 176.117 -0.069 0.000 1.075 327 I CA 1.436 62.627 61.300 -0.180 0.000 1.332 327 I CB -0.374 37.539 38.000 -0.144 0.000 1.033 327 I HN 0.176 nan 8.210 nan 0.000 0.410 328 Y N 0.090 120.363 120.300 -0.046 0.000 2.439 328 Y HA -0.100 4.450 4.550 -0.001 0.000 0.292 328 Y C 2.549 178.431 175.900 -0.030 0.000 1.130 328 Y CA 0.681 58.800 58.100 0.032 0.000 1.254 328 Y CB -0.782 37.672 38.460 -0.010 0.000 1.000 328 Y HN 0.139 nan 8.280 nan 0.000 0.554 329 R N 0.683 121.188 120.500 0.008 0.000 2.066 329 R HA 0.008 4.348 4.340 -0.001 0.000 0.224 329 R C 1.886 178.138 176.300 -0.080 0.000 1.122 329 R CA 0.757 56.819 56.100 -0.063 0.000 0.974 329 R CB 0.003 30.227 30.300 -0.127 0.000 0.871 329 R HN 0.116 nan 8.270 nan 0.000 0.435 330 R N -0.084 120.313 120.500 -0.171 0.000 2.339 330 R HA 0.048 4.388 4.340 -0.001 0.000 0.199 330 R C 0.809 177.123 176.300 0.024 0.000 1.018 330 R CA 0.689 56.683 56.100 -0.177 0.000 1.036 330 R CB 0.111 30.037 30.300 -0.623 0.000 0.899 330 R HN 0.584 nan 8.270 nan 0.000 0.473 331 G N 0.887 109.721 108.800 0.057 0.000 2.187 331 G HA2 -0.318 3.642 3.960 -0.001 0.000 0.261 331 G HA3 -0.318 3.642 3.960 -0.001 0.000 0.261 331 G C 0.454 175.513 174.900 0.264 0.000 1.000 331 G CA 0.369 45.540 45.100 0.119 0.000 0.718 331 G HN 0.314 nan 8.290 nan 0.000 0.519 332 Y N -0.322 120.042 120.300 0.106 0.000 2.271 332 Y HA -0.104 4.445 4.550 -0.000 0.000 0.284 332 Y C 2.576 178.542 175.900 0.111 0.000 1.189 332 Y CA 1.201 59.364 58.100 0.105 0.000 1.229 332 Y CB -0.360 38.189 38.460 0.149 0.000 0.973 332 Y HN 0.460 nan 8.280 nan 0.000 0.537 333 L N -0.718 120.694 121.223 0.314 0.000 2.779 333 L HA 0.170 4.510 4.340 -0.001 0.000 0.239 333 L C 1.742 178.702 176.870 0.151 0.000 1.245 333 L CA 0.626 55.610 54.840 0.240 0.000 1.064 333 L CB -0.745 41.517 42.059 0.338 0.000 1.350 333 L HN 0.399 nan 8.230 nan 0.000 0.455 334 G N -0.195 108.672 108.800 0.112 0.000 2.417 334 G HA2 -0.306 3.654 3.960 -0.001 0.000 0.233 334 G HA3 -0.306 3.654 3.960 -0.001 0.000 0.233 334 G C 0.420 175.329 174.900 0.015 0.000 1.103 334 G CA 0.275 45.406 45.100 0.052 0.000 0.647 334 G HN 0.387 nan 8.290 nan 0.000 0.512 335 K N -0.274 120.112 120.400 -0.023 0.000 2.346 335 K HA 0.729 5.049 4.320 -0.001 0.000 0.238 335 K C -0.858 175.590 176.600 -0.253 0.000 1.039 335 K CA -0.600 55.589 56.287 -0.164 0.000 0.861 335 K CB 2.308 34.640 32.500 -0.280 0.000 1.278 335 K HN 0.128 nan 8.250 nan 0.000 0.460 336 V N 2.354 122.065 119.914 -0.338 0.000 2.459 336 V HA 0.346 4.465 4.120 -0.001 0.000 0.295 336 V C -1.446 174.403 176.094 -0.409 0.000 1.029 336 V CA -0.672 61.474 62.300 -0.256 0.000 0.874 336 V CB 1.081 32.837 31.823 -0.112 0.000 0.985 336 V HN 0.603 nan 8.190 nan 0.000 0.438 337 Y N 5.739 126.026 120.300 -0.021 0.000 2.575 337 Y HA 0.362 4.912 4.550 -0.001 0.000 0.326 337 Y C -1.866 173.978 175.900 -0.094 0.000 0.979 337 Y CA -2.301 55.741 58.100 -0.097 0.000 1.286 337 Y CB 1.216 39.531 38.460 -0.243 0.000 1.093 337 Y HN 0.482 nan 8.280 nan 0.000 0.501 338 P HA -0.233 nan 4.420 nan 0.000 0.211 338 P C 1.693 178.973 177.300 -0.033 0.000 1.179 338 P CA 1.383 64.466 63.100 -0.029 0.000 0.910 338 P CB 0.454 32.135 31.700 -0.031 0.000 0.785 339 Q N 0.192 119.989 119.800 -0.006 0.000 2.181 339 Q HA -0.188 4.151 4.340 -0.001 0.000 0.205 339 Q C 1.870 177.866 176.000 -0.006 0.000 0.980 339 Q CA 1.872 57.673 55.803 -0.002 0.000 0.862 339 Q CB -0.677 28.068 28.738 0.011 0.000 0.905 339 Q HN 0.160 nan 8.270 nan 0.000 0.429 340 K N -0.892 119.475 120.400 -0.054 0.000 2.031 340 K HA -0.004 4.316 4.320 -0.001 0.000 0.205 340 K C 2.047 178.701 176.600 0.089 0.000 1.049 340 K CA 0.966 57.196 56.287 -0.096 0.000 0.939 340 K CB -0.264 31.867 32.500 -0.615 0.000 0.717 340 K HN 0.241 nan 8.250 nan 0.000 0.438 341 A N 1.585 124.458 122.820 0.089 0.000 1.908 341 A HA -0.195 4.124 4.320 -0.001 0.000 0.218 341 A C 2.119 179.708 177.584 0.008 0.000 1.181 341 A CA 1.427 53.524 52.037 0.101 0.000 0.627 341 A CB -0.583 18.429 19.000 0.020 0.000 0.818 341 A HN 0.257 nan 8.150 nan 0.000 0.445 342 L N 0.077 121.265 121.223 -0.059 0.000 2.005 342 L HA -0.122 4.217 4.340 -0.001 0.000 0.207 342 L C 1.923 178.792 176.870 -0.002 0.000 1.072 342 L CA 2.793 57.569 54.840 -0.107 0.000 0.744 342 L CB -0.902 41.084 42.059 -0.122 0.000 0.895 342 L HN 0.429 nan 8.230 nan 0.000 0.433 343 D N -1.264 119.172 120.400 0.060 0.000 2.160 343 D HA -0.281 4.358 4.640 -0.001 0.000 0.189 343 D C 2.069 178.427 176.300 0.096 0.000 1.003 343 D CA 2.034 56.087 54.000 0.088 0.000 0.846 343 D CB -0.044 40.833 40.800 0.128 0.000 0.949 343 D HN 0.562 nan 8.370 nan 0.000 0.446 344 H N -1.013 118.079 119.070 0.037 0.000 2.462 344 H HA 0.146 4.701 4.556 -0.001 0.000 0.292 344 H C 1.936 177.271 175.328 0.013 0.000 1.049 344 H CA 0.569 56.641 56.048 0.038 0.000 1.334 344 H CB -0.060 29.744 29.762 0.069 0.000 1.404 344 H HN 0.176 nan 8.280 nan 0.000 0.544 345 L N -0.689 120.598 121.223 0.107 0.000 2.179 345 L HA -0.097 4.243 4.340 -0.001 0.000 0.208 345 L C 1.918 178.817 176.870 0.049 0.000 1.096 345 L CA 0.292 55.167 54.840 0.058 0.000 0.779 345 L CB -0.071 41.978 42.059 -0.016 0.000 0.922 345 L HN 0.248 nan 8.230 nan 0.000 0.443 346 L N -0.642 120.598 121.223 0.028 0.000 2.072 346 L HA -0.116 4.224 4.340 -0.001 0.000 0.205 346 L C 2.439 179.349 176.870 0.066 0.000 1.079 346 L CA 1.932 56.807 54.840 0.059 0.000 0.752 346 L CB -0.790 41.301 42.059 0.054 0.000 0.906 346 L HN 0.093 nan 8.230 nan 0.000 0.436 347 T N 0.032 114.605 114.554 0.033 0.000 2.665 347 T HA -0.246 4.104 4.350 -0.001 0.000 0.268 347 T C 1.879 176.596 174.700 0.027 0.000 1.035 347 T CA 1.657 63.764 62.100 0.011 0.000 1.151 347 T CB -0.503 68.337 68.868 -0.047 0.000 0.862 347 T HN 0.517 nan 8.240 nan 0.000 0.438 348 A N 1.215 124.059 122.820 0.041 0.000 1.902 348 A HA 0.138 4.458 4.320 -0.001 0.000 0.217 348 A C 2.628 180.231 177.584 0.032 0.000 1.181 348 A CA 1.916 53.977 52.037 0.040 0.000 0.623 348 A CB -1.066 17.978 19.000 0.074 0.000 0.818 348 A HN 0.526 nan 8.150 nan 0.000 0.443 349 A N -0.291 122.564 122.820 0.059 0.000 1.930 349 A HA -0.128 4.192 4.320 -0.001 0.000 0.217 349 A C 2.160 179.783 177.584 0.064 0.000 1.175 349 A CA 1.416 53.496 52.037 0.072 0.000 0.627 349 A CB -0.397 18.693 19.000 0.149 0.000 0.815 349 A HN 0.529 nan 8.150 nan 0.000 0.443 350 R N -0.501 120.039 120.500 0.067 0.000 2.307 350 R HA 0.047 4.387 4.340 -0.001 0.000 0.199 350 R C 0.496 176.816 176.300 0.034 0.000 1.000 350 R CA 0.969 57.100 56.100 0.053 0.000 1.023 350 R CB -0.233 30.101 30.300 0.056 0.000 0.908 350 R HN 0.637 nan 8.270 nan 0.000 0.473 351 N N -0.881 117.835 118.700 0.027 0.000 2.204 351 N HA 0.103 4.843 4.740 -0.001 0.000 0.219 351 N C 0.335 175.854 175.510 0.014 0.000 1.151 351 N CA 0.238 53.299 53.050 0.019 0.000 0.867 351 N CB 1.587 40.083 38.487 0.015 0.000 1.043 351 N HN 0.243 nan 8.380 nan 0.000 0.516 352 G N 1.371 110.179 108.800 0.013 0.000 2.179 352 G HA2 -0.302 3.658 3.960 -0.001 0.000 0.220 352 G HA3 -0.302 3.658 3.960 -0.001 0.000 0.220 352 G C 0.141 175.026 174.900 -0.024 0.000 0.990 352 G CA -0.290 44.813 45.100 0.005 0.000 0.646 352 G HN 0.384 nan 8.290 nan 0.000 0.517 353 Q N 1.754 121.527 119.800 -0.044 0.000 2.239 353 Q HA 0.336 4.676 4.340 -0.001 0.000 0.286 353 Q C 1.480 177.397 176.000 -0.138 0.000 1.102 353 Q CA 0.805 56.538 55.803 -0.117 0.000 0.936 353 Q CB 0.378 29.029 28.738 -0.146 0.000 1.127 353 Q HN 0.572 nan 8.270 nan 0.000 0.380 354 N N 1.506 120.112 118.700 -0.156 0.000 2.573 354 N HA -0.083 4.657 4.740 -0.001 0.000 0.187 354 N C 0.067 175.473 175.510 -0.174 0.000 1.107 354 N CA 1.107 54.077 53.050 -0.133 0.000 0.918 354 N CB 0.267 38.684 38.487 -0.116 0.000 0.966 354 N HN 0.381 nan 8.380 nan 0.000 0.448 355 S N -1.334 114.176 115.700 -0.316 0.000 2.578 355 S HA 0.425 4.895 4.470 -0.001 0.000 0.228 355 S C 1.637 176.135 174.600 -0.170 0.000 1.022 355 S CA -0.023 57.985 58.200 -0.320 0.000 0.967 355 S CB 0.360 63.221 63.200 -0.565 0.000 0.914 355 S HN 0.537 nan 8.310 nan 0.000 0.515 356 A N 2.475 125.197 122.820 -0.164 0.000 1.902 356 A HA -0.139 4.181 4.320 -0.001 0.000 0.217 356 A C 1.721 179.397 177.584 0.152 0.000 1.181 356 A CA 1.524 53.609 52.037 0.080 0.000 0.623 356 A CB -0.464 18.582 19.000 0.078 0.000 0.818 356 A HN 0.367 nan 8.150 nan 0.000 0.443 357 D N -1.032 119.479 120.400 0.185 0.000 2.117 357 D HA -0.151 4.488 4.640 -0.001 0.000 0.197 357 D C 1.673 178.142 176.300 0.282 0.000 0.987 357 D CA 1.359 55.549 54.000 0.317 0.000 0.829 357 D CB -0.401 40.567 40.800 0.280 0.000 0.961 357 D HN 0.480 nan 8.370 nan 0.000 0.460 358 F N 2.074 122.078 119.950 0.090 0.000 2.095 358 F HA -0.229 4.298 4.527 -0.001 0.000 0.298 358 F C 2.325 178.171 175.800 0.076 0.000 1.104 358 F CA 1.743 59.788 58.000 0.075 0.000 1.232 358 F CB -0.186 38.836 39.000 0.035 0.000 0.987 358 F HN -0.083 nan 8.300 nan 0.000 0.475 359 A N 0.591 123.553 122.820 0.235 0.000 1.902 359 A HA -0.141 4.179 4.320 -0.001 0.000 0.217 359 A C 2.269 179.816 177.584 -0.062 0.000 1.181 359 A CA 1.820 53.915 52.037 0.097 0.000 0.623 359 A CB -1.224 17.885 19.000 0.181 0.000 0.818 359 A HN 0.504 nan 8.150 nan 0.000 0.443 360 I N -0.295 120.233 120.570 -0.070 0.000 2.567 360 I HA -0.256 3.914 4.170 -0.001 0.000 0.257 360 I C 2.804 178.860 176.117 -0.101 0.000 1.184 360 I CA 0.809 61.965 61.300 -0.241 0.000 1.451 360 I CB -0.309 37.378 38.000 -0.522 0.000 1.089 360 I HN 0.390 nan 8.210 nan 0.000 0.441 361 A N 0.392 123.215 122.820 0.005 0.000 1.872 361 A HA -0.197 4.122 4.320 -0.001 0.000 0.214 361 A C 2.261 179.818 177.584 -0.044 0.000 1.187 361 A CA 1.130 53.200 52.037 0.055 0.000 0.614 361 A CB -0.494 18.481 19.000 -0.042 0.000 0.826 361 A HN 0.393 nan 8.150 nan 0.000 0.442 362 Q N -0.960 118.729 119.800 -0.185 0.000 2.170 362 Q HA -0.166 4.173 4.340 -0.001 0.000 0.203 362 Q C 2.060 177.995 176.000 -0.108 0.000 0.976 362 Q CA 1.460 57.166 55.803 -0.162 0.000 0.858 362 Q CB -0.336 28.290 28.738 -0.187 0.000 0.907 362 Q HN 0.639 nan 8.270 nan 0.000 0.433 363 L N -0.618 120.504 121.223 -0.168 0.000 2.083 363 L HA -0.120 4.220 4.340 -0.001 0.000 0.209 363 L C 1.486 178.216 176.870 -0.233 0.000 1.083 363 L CA 1.673 56.357 54.840 -0.261 0.000 0.752 363 L CB -0.175 41.608 42.059 -0.460 0.000 0.899 363 L HN 0.039 nan 8.230 nan 0.000 0.433 364 F N -0.853 119.063 119.950 -0.057 0.000 2.789 364 F HA 0.100 4.626 4.527 -0.000 0.000 0.300 364 F C 2.350 178.143 175.800 -0.012 0.000 1.132 364 F CA 0.630 58.613 58.000 -0.027 0.000 1.404 364 F CB -0.432 38.562 39.000 -0.009 0.000 1.114 364 F HN 0.353 nan 8.300 nan 0.000 0.584 365 S N -1.493 114.285 115.700 0.130 0.000 2.641 365 S HA -0.001 4.469 4.470 -0.001 0.000 0.239 365 S C 1.489 176.113 174.600 0.040 0.000 1.081 365 S CA -0.202 58.045 58.200 0.079 0.000 0.904 365 S CB -0.371 62.860 63.200 0.051 0.000 0.803 365 S HN 0.348 nan 8.310 nan 0.000 0.510 366 Q N 1.651 121.459 119.800 0.012 0.000 2.488 366 Q HA 0.263 4.602 4.340 -0.001 0.000 0.211 366 Q C 1.693 177.698 176.000 0.009 0.000 0.967 366 Q CA 0.425 56.231 55.803 0.005 0.000 0.926 366 Q CB -0.400 28.332 28.738 -0.009 0.000 0.992 366 Q HN 0.743 nan 8.270 nan 0.000 0.506 367 G N 2.446 111.255 108.800 0.014 0.000 2.846 367 G HA2 -0.460 3.499 3.960 -0.001 0.000 0.317 367 G HA3 -0.460 3.499 3.960 -0.001 0.000 0.317 367 G C 0.094 174.991 174.900 -0.004 0.000 1.210 367 G CA 0.307 45.415 45.100 0.013 0.000 0.972 367 G HN 0.340 nan 8.290 nan 0.000 0.567 368 K N 0.976 121.375 120.400 -0.001 0.000 3.213 368 K HA -0.135 4.184 4.320 -0.001 0.000 0.266 368 K C 1.404 177.995 176.600 -0.015 0.000 0.911 368 K CA 1.382 57.666 56.287 -0.004 0.000 0.684 368 K CB -1.633 30.867 32.500 -0.000 0.000 1.402 368 K HN 2.408 nan 8.250 nan 0.000 0.465 369 G N -1.483 107.307 108.800 -0.017 0.000 2.541 369 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.201 369 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.201 369 G C 0.055 174.939 174.900 -0.027 0.000 1.026 369 G CA -0.084 44.998 45.100 -0.030 0.000 0.687 369 G HN 0.266 nan 8.290 nan 0.000 0.492 370 T N 2.649 117.187 114.554 -0.026 0.000 2.744 370 T HA 0.517 4.867 4.350 -0.001 0.000 0.291 370 T C 0.172 174.888 174.700 0.027 0.000 0.957 370 T CA -0.237 61.852 62.100 -0.019 0.000 1.002 370 T CB 1.978 70.799 68.868 -0.079 0.000 0.919 370 T HN 0.495 nan 8.240 nan 0.000 0.468 371 K N 4.100 124.531 120.400 0.052 0.000 2.489 371 K HA 0.093 4.412 4.320 -0.001 0.000 0.278 371 K C -2.384 174.286 176.600 0.118 0.000 1.000 371 K CA -1.128 55.200 56.287 0.069 0.000 1.012 371 K CB 0.151 32.691 32.500 0.066 0.000 0.903 371 K HN 0.229 nan 8.250 nan 0.000 0.485 372 P HA 0.060 nan 4.420 nan 0.000 0.274 372 P C -1.281 176.085 177.300 0.110 0.000 1.231 372 P CA -0.033 63.142 63.100 0.124 0.000 0.790 372 P CB 0.578 32.323 31.700 0.075 0.000 0.951 373 D N 2.838 123.305 120.400 0.111 0.000 2.330 373 D HA 0.099 4.739 4.640 -0.001 0.000 0.249 373 D C -1.834 174.439 176.300 -0.045 0.000 1.306 373 D CA -1.927 52.056 54.000 -0.028 0.000 0.956 373 D CB 1.401 42.074 40.800 -0.213 0.000 1.261 373 D HN 0.072 nan 8.370 nan 0.000 0.544 374 P HA -0.196 nan 4.420 nan 0.000 0.216 374 P C 1.685 178.996 177.300 0.018 0.000 1.154 374 P CA 0.509 63.616 63.100 0.011 0.000 0.865 374 P CB 0.728 32.424 31.700 -0.007 0.000 0.789 375 L N 0.396 121.606 121.223 -0.022 0.000 1.988 375 L HA -0.088 4.251 4.340 -0.001 0.000 0.207 375 L C 2.140 179.035 176.870 0.042 0.000 1.071 375 L CA 1.954 56.802 54.840 0.014 0.000 0.744 375 L CB -1.450 40.596 42.059 -0.022 0.000 0.893 375 L HN -0.171 nan 8.230 nan 0.000 0.433 376 N N 0.322 118.955 118.700 -0.111 0.000 2.149 376 N HA -0.195 4.545 4.740 -0.001 0.000 0.188 376 N C 1.830 177.422 175.510 0.136 0.000 1.019 376 N CA 1.560 54.543 53.050 -0.111 0.000 0.857 376 N CB -0.615 37.388 38.487 -0.807 0.000 0.997 376 N HN 0.537 nan 8.380 nan 0.000 0.426 377 A N 0.637 123.519 122.820 0.104 0.000 1.908 377 A HA -0.222 4.097 4.320 -0.001 0.000 0.218 377 A C 2.195 179.905 177.584 0.211 0.000 1.181 377 A CA 1.374 53.541 52.037 0.215 0.000 0.627 377 A CB -1.030 18.068 19.000 0.163 0.000 0.818 377 A HN 0.408 nan 8.150 nan 0.000 0.445 378 Y N 0.784 121.114 120.300 0.050 0.000 2.089 378 Y HA -0.189 4.361 4.550 -0.001 0.000 0.282 378 Y C 2.394 178.299 175.900 0.009 0.000 1.139 378 Y CA 1.982 60.095 58.100 0.022 0.000 1.123 378 Y CB -0.703 37.754 38.460 -0.005 0.000 0.980 378 Y HN 0.047 nan 8.280 nan 0.000 0.493 379 V N 0.004 119.870 119.914 -0.079 0.000 2.324 379 V HA -0.349 3.771 4.120 -0.001 0.000 0.250 379 V C 2.181 178.041 176.094 -0.390 0.000 1.060 379 V CA 2.339 64.466 62.300 -0.290 0.000 1.042 379 V CB -0.987 30.711 31.823 -0.207 0.000 0.650 379 V HN 0.389 nan 8.190 nan 0.000 0.450 380 F N 0.670 120.593 119.950 -0.045 0.000 2.512 380 F HA -0.053 4.474 4.527 -0.001 0.000 0.296 380 F C 2.607 178.389 175.800 -0.030 0.000 1.110 380 F CA 1.095 59.092 58.000 -0.004 0.000 1.446 380 F CB -0.329 38.720 39.000 0.082 0.000 1.092 380 F HN 0.234 nan 8.300 nan 0.000 0.554 381 S N -1.041 114.693 115.700 0.055 0.000 2.436 381 S HA -0.120 4.350 4.470 -0.001 0.000 0.228 381 S C 1.853 176.416 174.600 -0.061 0.000 1.014 381 S CA 0.447 58.656 58.200 0.015 0.000 0.950 381 S CB -0.268 62.938 63.200 0.010 0.000 0.784 381 S HN 0.273 nan 8.310 nan 0.000 0.504 382 Q N 1.352 121.020 119.800 -0.220 0.000 2.083 382 Q HA 0.188 4.527 4.340 -0.001 0.000 0.198 382 Q C 2.306 178.208 176.000 -0.164 0.000 0.969 382 Q CA 0.981 56.627 55.803 -0.262 0.000 0.838 382 Q CB -0.607 27.841 28.738 -0.484 0.000 0.900 382 Q HN 0.560 nan 8.270 nan 0.000 0.436 383 L N 0.174 121.289 121.223 -0.181 0.000 2.131 383 L HA -0.146 4.194 4.340 -0.001 0.000 0.210 383 L C 2.285 179.140 176.870 -0.024 0.000 1.092 383 L CA 1.090 55.854 54.840 -0.127 0.000 0.759 383 L CB -0.503 41.442 42.059 -0.190 0.000 0.903 383 L HN 0.098 nan 8.230 nan 0.000 0.435 384 A N -0.602 122.241 122.820 0.038 0.000 2.066 384 A HA -0.169 4.151 4.320 -0.001 0.000 0.218 384 A C 2.345 179.972 177.584 0.071 0.000 1.157 384 A CA 1.115 53.215 52.037 0.106 0.000 0.670 384 A CB -0.277 18.867 19.000 0.241 0.000 0.804 384 A HN 0.277 nan 8.150 nan 0.000 0.453 385 K N -0.085 120.332 120.400 0.030 0.000 2.097 385 K HA -0.049 4.271 4.320 -0.001 0.000 0.205 385 K C 2.091 178.690 176.600 -0.002 0.000 1.050 385 K CA 0.983 57.279 56.287 0.016 0.000 0.938 385 K CB -0.277 32.215 32.500 -0.014 0.000 0.718 385 K HN 0.385 nan 8.250 nan 0.000 0.442 386 A N 0.991 123.801 122.820 -0.017 0.000 2.084 386 A HA -0.192 4.128 4.320 -0.001 0.000 0.221 386 A C 1.801 179.376 177.584 -0.014 0.000 1.161 386 A CA 1.327 53.351 52.037 -0.021 0.000 0.653 386 A CB -0.347 18.635 19.000 -0.030 0.000 0.802 386 A HN 0.344 nan 8.150 nan 0.000 0.457 387 Q N -0.795 118.999 119.800 -0.010 0.000 2.436 387 Q HA -0.055 4.285 4.340 -0.001 0.000 0.209 387 Q C -0.044 175.940 176.000 -0.025 0.000 0.965 387 Q CA 0.953 56.744 55.803 -0.021 0.000 0.910 387 Q CB -0.369 28.353 28.738 -0.027 0.000 0.980 387 Q HN 0.728 nan 8.270 nan 0.000 0.491 388 D N 0.912 121.303 120.400 -0.015 0.000 2.990 388 D HA -0.121 4.519 4.640 -0.001 0.000 0.245 388 D C -1.046 175.242 176.300 -0.020 0.000 1.120 388 D CA 1.139 55.131 54.000 -0.012 0.000 0.838 388 D CB -0.911 39.882 40.800 -0.012 0.000 1.000 388 D HN 0.327 nan 8.370 nan 0.000 0.420 389 T N -0.548 113.994 114.554 -0.019 0.000 2.909 389 T HA 0.700 5.049 4.350 -0.001 0.000 0.299 389 T C -2.062 172.631 174.700 -0.012 0.000 1.073 389 T CA -1.533 60.547 62.100 -0.033 0.000 0.999 389 T CB 2.456 71.275 68.868 -0.081 0.000 1.098 389 T HN -0.230 nan 8.240 nan 0.000 0.477 390 P HA -0.052 nan 4.420 nan 0.000 0.217 390 P C 1.449 178.765 177.300 0.027 0.000 1.150 390 P CA 0.847 63.954 63.100 0.011 0.000 0.832 390 P CB 0.207 31.911 31.700 0.007 0.000 0.787 391 E N 0.154 120.351 120.200 -0.006 0.000 2.058 391 E HA -0.199 4.151 4.350 -0.001 0.000 0.194 391 E C 1.979 178.667 176.600 0.146 0.000 0.997 391 E CA 1.800 58.206 56.400 0.010 0.000 0.801 391 E CB -1.141 28.443 29.700 -0.193 0.000 0.746 391 E HN 0.064 nan 8.360 nan 0.000 0.450 392 A N 0.443 123.314 122.820 0.085 0.000 1.972 392 A HA -0.178 4.142 4.320 -0.001 0.000 0.219 392 A C 1.955 179.633 177.584 0.157 0.000 1.169 392 A CA 1.637 53.801 52.037 0.212 0.000 0.635 392 A CB -0.581 18.490 19.000 0.118 0.000 0.810 392 A HN 0.249 nan 8.150 nan 0.000 0.446 393 N N 0.197 118.953 118.700 0.095 0.000 2.135 393 N HA -0.124 4.616 4.740 -0.001 0.000 0.186 393 N C 1.457 177.019 175.510 0.087 0.000 1.027 393 N CA 1.333 54.427 53.050 0.073 0.000 0.849 393 N CB -0.480 38.036 38.487 0.049 0.000 1.002 393 N HN 0.490 nan 8.380 nan 0.000 0.425 394 D N 0.735 121.194 120.400 0.099 0.000 2.149 394 D HA -0.130 4.510 4.640 -0.001 0.000 0.198 394 D C 1.868 178.237 176.300 0.116 0.000 0.990 394 D CA 0.507 54.567 54.000 0.099 0.000 0.839 394 D CB 0.174 41.035 40.800 0.101 0.000 0.948 394 D HN 0.101 nan 8.370 nan 0.000 0.460 395 L N 0.498 121.819 121.223 0.163 0.000 2.162 395 L HA 0.148 4.487 4.340 -0.001 0.000 0.205 395 L C 2.187 179.106 176.870 0.082 0.000 1.086 395 L CA 1.571 56.483 54.840 0.120 0.000 0.778 395 L CB -0.644 41.486 42.059 0.118 0.000 0.928 395 L HN -0.044 nan 8.230 nan 0.000 0.446 396 A N -1.050 121.825 122.820 0.092 0.000 2.015 396 A HA -0.165 4.155 4.320 -0.001 0.000 0.219 396 A C 2.302 179.944 177.584 0.097 0.000 1.163 396 A CA 1.922 54.003 52.037 0.073 0.000 0.646 396 A CB -1.169 17.857 19.000 0.044 0.000 0.806 396 A HN 0.605 nan 8.150 nan 0.000 0.448 397 T N -2.730 111.875 114.554 0.085 0.000 2.942 397 T HA -0.094 4.256 4.350 -0.001 0.000 0.265 397 T C 1.796 176.542 174.700 0.077 0.000 1.062 397 T CA 1.241 63.390 62.100 0.081 0.000 1.139 397 T CB -0.315 68.590 68.868 0.063 0.000 0.883 397 T HN 0.580 nan 8.240 nan 0.000 0.468 398 Q N 0.617 120.460 119.800 0.071 0.000 2.172 398 Q HA 0.213 4.553 4.340 -0.001 0.000 0.200 398 Q C 2.150 178.189 176.000 0.066 0.000 0.964 398 Q CA 0.936 56.775 55.803 0.059 0.000 0.855 398 Q CB -0.262 28.506 28.738 0.052 0.000 0.918 398 Q HN 0.496 nan 8.270 nan 0.000 0.444 399 L N 0.802 122.080 121.223 0.091 0.000 2.558 399 L HA -0.022 4.318 4.340 -0.001 0.000 0.225 399 L C 2.032 179.002 176.870 0.166 0.000 1.128 399 L CA 0.458 55.369 54.840 0.118 0.000 0.868 399 L CB -0.152 41.984 42.059 0.128 0.000 1.006 399 L HN 0.336 nan 8.230 nan 0.000 0.454 400 E N 0.315 120.615 120.200 0.167 0.000 2.415 400 E HA 0.030 4.379 4.350 -0.001 0.000 0.197 400 E C 2.029 178.621 176.600 -0.012 0.000 1.007 400 E CA 0.673 57.135 56.400 0.103 0.000 0.890 400 E CB 0.146 29.990 29.700 0.240 0.000 0.891 400 E HN 0.246 nan 8.360 nan 0.000 0.496 401 A N 2.568 125.401 122.820 0.021 0.000 1.908 401 A HA -0.086 4.233 4.320 -0.001 0.000 0.218 401 A C 0.005 177.576 177.584 -0.022 0.000 1.181 401 A CA 1.183 53.221 52.037 0.002 0.000 0.627 401 A CB -1.379 17.631 19.000 0.018 0.000 0.818 401 A HN 0.317 nan 8.150 nan 0.000 0.445 402 P HA 0.098 nan 4.420 nan 0.000 0.233 402 P C 0.021 177.281 177.300 -0.068 0.000 1.167 402 P CA 0.467 63.546 63.100 -0.035 0.000 0.770 402 P CB 0.012 31.701 31.700 -0.018 0.000 0.837 403 L N -0.381 120.770 121.223 -0.119 0.000 2.375 403 L HA 0.265 4.604 4.340 -0.001 0.000 0.271 403 L C 1.127 177.917 176.870 -0.132 0.000 1.107 403 L CA -0.687 54.053 54.840 -0.167 0.000 0.806 403 L CB 0.562 42.420 42.059 -0.335 0.000 1.146 403 L HN -0.029 nan 8.230 nan 0.000 0.447 404 T N -1.548 112.938 114.554 -0.113 0.000 2.816 404 T HA 0.223 4.573 4.350 -0.001 0.000 0.282 404 T C -1.907 172.736 174.700 -0.096 0.000 0.993 404 T CA -1.568 60.482 62.100 -0.082 0.000 0.994 404 T CB 1.209 70.039 68.868 -0.064 0.000 1.025 404 T HN 0.357 nan 8.240 nan 0.000 0.529 405 P HA 0.042 nan 4.420 nan 0.000 0.220 405 P C 1.464 178.728 177.300 -0.061 0.000 1.148 405 P CA 1.152 64.215 63.100 -0.061 0.000 0.803 405 P CB -0.238 31.440 31.700 -0.037 0.000 0.782 406 A N -0.391 122.395 122.820 -0.057 0.000 1.897 406 A HA -0.209 4.111 4.320 -0.001 0.000 0.215 406 A C 2.242 179.789 177.584 -0.062 0.000 1.181 406 A CA 1.321 53.330 52.037 -0.047 0.000 0.620 406 A CB -1.200 17.777 19.000 -0.037 0.000 0.821 406 A HN 0.139 nan 8.150 nan 0.000 0.443 407 Q N -0.485 119.260 119.800 -0.092 0.000 2.084 407 Q HA -0.170 4.170 4.340 -0.001 0.000 0.202 407 Q C 2.310 178.208 176.000 -0.170 0.000 0.978 407 Q CA 1.606 57.338 55.803 -0.118 0.000 0.844 407 Q CB -0.181 28.470 28.738 -0.146 0.000 0.898 407 Q HN 0.610 nan 8.270 nan 0.000 0.426 408 R N 0.026 120.380 120.500 -0.243 0.000 2.096 408 R HA -0.104 4.236 4.340 -0.001 0.000 0.235 408 R C 2.196 178.497 176.300 0.002 0.000 1.127 408 R CA 1.204 57.132 56.100 -0.287 0.000 0.968 408 R CB -0.307 29.855 30.300 -0.231 0.000 0.861 408 R HN 0.193 nan 8.270 nan 0.000 0.440 409 A N 0.930 123.744 122.820 -0.010 0.000 1.968 409 A HA -0.161 4.159 4.320 -0.001 0.000 0.217 409 A C 2.018 179.621 177.584 0.031 0.000 1.169 409 A CA 1.321 53.371 52.037 0.022 0.000 0.638 409 A CB -0.184 18.817 19.000 0.001 0.000 0.812 409 A HN 0.274 nan 8.150 nan 0.000 0.446 410 E N 0.280 120.489 120.200 0.015 0.000 2.028 410 E HA -0.027 4.323 4.350 -0.001 0.000 0.191 410 E C 2.006 178.639 176.600 0.055 0.000 0.988 410 E CA 1.763 58.174 56.400 0.018 0.000 0.799 410 E CB -0.946 28.752 29.700 -0.003 0.000 0.755 410 E HN 0.310 nan 8.360 nan 0.000 0.447 411 G N 0.255 109.125 108.800 0.118 0.000 2.440 411 G HA2 -0.296 3.664 3.960 -0.001 0.000 0.218 411 G HA3 -0.296 3.664 3.960 -0.001 0.000 0.218 411 G C 1.578 176.570 174.900 0.153 0.000 1.154 411 G CA 0.862 46.101 45.100 0.232 0.000 0.767 411 G HN 0.216 nan 8.290 nan 0.000 0.552 412 Q N -0.172 119.741 119.800 0.188 0.000 2.226 412 Q HA -0.019 4.321 4.340 -0.001 0.000 0.204 412 Q C 2.504 178.508 176.000 0.008 0.000 0.975 412 Q CA 0.848 56.689 55.803 0.065 0.000 0.866 412 Q CB -0.243 28.544 28.738 0.082 0.000 0.915 412 Q HN 0.565 nan 8.270 nan 0.000 0.440 413 R N 0.082 120.593 120.500 0.019 0.000 2.092 413 R HA -0.043 4.297 4.340 -0.001 0.000 0.231 413 R C 2.291 178.579 176.300 -0.020 0.000 1.119 413 R CA 0.671 56.769 56.100 -0.002 0.000 0.970 413 R CB -0.040 30.262 30.300 0.003 0.000 0.864 413 R HN 0.182 nan 8.270 nan 0.000 0.440 414 L N -0.210 121.001 121.223 -0.021 0.000 2.056 414 L HA -0.134 4.206 4.340 -0.001 0.000 0.207 414 L C 2.364 179.175 176.870 -0.098 0.000 1.078 414 L CA 0.720 55.530 54.840 -0.049 0.000 0.749 414 L CB -0.410 41.623 42.059 -0.042 0.000 0.901 414 L HN 0.012 nan 8.230 nan 0.000 0.433 415 V N -0.332 119.508 119.914 -0.124 0.000 2.250 415 V HA -0.341 3.779 4.120 -0.001 0.000 0.250 415 V C 2.643 178.663 176.094 -0.122 0.000 1.060 415 V CA 1.799 63.995 62.300 -0.172 0.000 1.030 415 V CB -0.569 31.149 31.823 -0.175 0.000 0.643 415 V HN 0.510 nan 8.190 nan 0.000 0.445 416 Q N -0.630 119.122 119.800 -0.081 0.000 2.123 416 Q HA -0.212 4.128 4.340 -0.001 0.000 0.199 416 Q C 2.239 178.211 176.000 -0.047 0.000 0.966 416 Q CA 1.636 57.404 55.803 -0.058 0.000 0.845 416 Q CB -0.400 28.313 28.738 -0.042 0.000 0.907 416 Q HN 0.763 nan 8.270 nan 0.000 0.439 417 Q N 0.734 120.508 119.800 -0.044 0.000 2.061 417 Q HA -0.247 4.092 4.340 -0.001 0.000 0.204 417 Q C 1.897 177.878 176.000 -0.032 0.000 0.984 417 Q CA 1.921 57.706 55.803 -0.031 0.000 0.846 417 Q CB 0.069 28.792 28.738 -0.025 0.000 0.902 417 Q HN 0.251 nan 8.270 nan 0.000 0.421 418 E N 0.201 120.369 120.200 -0.054 0.000 2.106 418 E HA -0.149 4.201 4.350 -0.001 0.000 0.192 418 E C 1.859 178.435 176.600 -0.041 0.000 0.984 418 E CA 1.105 57.473 56.400 -0.053 0.000 0.806 418 E CB -0.306 29.323 29.700 -0.119 0.000 0.750 418 E HN 0.463 nan 8.360 nan 0.000 0.458 419 L N -0.081 121.111 121.223 -0.052 0.000 2.093 419 L HA -0.073 4.267 4.340 -0.001 0.000 0.208 419 L C 2.517 179.379 176.870 -0.013 0.000 1.085 419 L CA 0.942 55.763 54.840 -0.032 0.000 0.755 419 L CB -0.579 41.457 42.059 -0.039 0.000 0.904 419 L HN 0.258 nan 8.230 nan 0.000 0.435 420 A N 0.241 123.052 122.820 -0.015 0.000 1.865 420 A HA -0.246 4.074 4.320 -0.001 0.000 0.217 420 A C 2.549 180.132 177.584 -0.001 0.000 1.191 420 A CA 1.961 53.993 52.037 -0.007 0.000 0.623 420 A CB -0.880 18.114 19.000 -0.010 0.000 0.826 420 A HN 0.401 nan 8.150 nan 0.000 0.444 421 A N -0.223 122.597 122.820 -0.001 0.000 1.892 421 A HA -0.234 4.085 4.320 -0.001 0.000 0.218 421 A C 2.246 179.837 177.584 0.012 0.000 1.188 421 A CA 1.779 53.820 52.037 0.007 0.000 0.631 421 A CB -0.565 18.442 19.000 0.012 0.000 0.822 421 A HN 0.590 nan 8.150 nan 0.000 0.447 422 R N -1.066 119.442 120.500 0.014 0.000 2.080 422 R HA -0.142 4.197 4.340 -0.001 0.000 0.236 422 R C 2.468 178.781 176.300 0.020 0.000 1.137 422 R CA 1.343 57.455 56.100 0.021 0.000 0.943 422 R CB -0.933 29.381 30.300 0.023 0.000 0.846 422 R HN 0.539 nan 8.270 nan 0.000 0.431 423 G N 0.441 109.253 108.800 0.020 0.000 2.476 423 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.218 423 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.218 423 G C 1.303 176.210 174.900 0.011 0.000 1.164 423 G CA 1.428 46.541 45.100 0.023 0.000 0.768 423 G HN 0.284 nan 8.290 nan 0.000 0.560 424 T N 0.269 114.827 114.554 0.006 0.000 2.996 424 T HA 0.233 4.583 4.350 -0.001 0.000 0.271 424 T C 1.081 175.782 174.700 0.001 0.000 1.126 424 T CA 1.057 63.157 62.100 0.000 0.000 1.103 424 T CB -0.585 68.283 68.868 0.000 0.000 0.870 424 T HN 0.480 nan 8.240 nan 0.000 0.528 431 Q N 0.807 120.608 119.800 0.001 0.000 2.320 431 Q HA 0.866 5.206 4.340 -0.001 0.000 0.272 431 Q C -1.574 174.429 176.000 0.005 0.000 1.023 431 Q CA -0.130 55.674 55.803 0.002 0.000 0.855 431 Q CB 1.895 30.634 28.738 0.001 0.000 1.367 431 Q HN 1.688 nan 8.270 nan 0.000 0.406 432 L N 1.128 122.355 121.223 0.006 0.000 2.333 432 L HA 0.929 5.269 4.340 -0.001 0.000 0.269 432 L C 0.970 177.846 176.870 0.010 0.000 1.010 432 L CA -1.242 53.604 54.840 0.009 0.000 0.818 432 L CB 1.869 43.933 42.059 0.009 0.000 1.306 432 L HN 1.152 nan 8.230 nan 0.000 0.430 433 H N 1.129 120.207 119.070 0.013 0.000 2.497 433 H HA 0.851 5.407 4.556 -0.001 0.000 0.331 433 H C 0.541 175.877 175.328 0.012 0.000 1.457 433 H CA -0.442 55.614 56.048 0.014 0.000 1.459 433 H CB 1.087 30.860 29.762 0.018 0.000 1.728 433 H HN 1.292 nan 8.280 nan 0.000 0.691 434 A N 0.000 122.827 122.820 0.012 0.000 2.254 434 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 434 A CA 0.000 52.043 52.037 0.010 0.000 0.836 434 A CB 0.000 19.007 19.000 0.011 0.000 0.831 434 A HN 0.000 nan 8.150 nan 0.000 0.486