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 3e6g_1_A DATA FIRST_RESID 14 DATA SEQUENCE ALSLATLAIH GGQSPDPSTG AVMPPIYATS TYAQSSXXXX XXXXXXXTHN DATA SEQUENCE PTRFAYERCV AALEGGTRAF AFASGMAATS TVMELLDAGS HVVAMDDLYG DATA SEQUENCE GTFRLFERVR RRTAGLDFSF VDLTDPAAFK AAIRADTKMV WIETPTNPML DATA SEQUENCE KLVDIAAIAV IARKHGLLTV VDNTFASPML QRPLSLGADL VVHSATKYLN DATA SEQUENCE GHSDMVGGIA VVGDNAELAE QMAFLQNSIG GVQGPFDSFL ALRGLKTLPL DATA SEQUENCE RMRAHCENAL ALAQWLETHP AIEKVIYPGL ASHPQHVLAK RQMSGFGGIV DATA SEQUENCE SIVLKGGFDA AKRFCEKTEL FTLAESLGGV ESLVNHPAVM THASIPVARR DATA SEQUENCE EQLGISDALV RLSVGIEDLG DLRGDLERA 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 14 A HA 0.000 nan 4.320 nan 0.000 0.244 14 A C 0.000 177.581 177.584 -0.004 0.000 1.274 14 A CA 0.000 52.033 52.037 -0.006 0.000 0.836 14 A CB 0.000 18.997 19.000 -0.005 0.000 0.831 15 L N 1.727 122.949 121.223 -0.002 0.000 2.418 15 L HA 0.595 4.924 4.340 -0.017 0.000 0.265 15 L C 1.273 178.148 176.870 0.008 0.000 1.143 15 L CA -0.299 54.543 54.840 0.003 0.000 0.809 15 L CB 1.621 43.684 42.059 0.007 0.000 1.124 15 L HN 0.789 nan 8.230 nan 0.000 0.456 16 S N 1.319 117.025 115.700 0.010 0.000 2.693 16 S HA 0.401 4.860 4.470 -0.017 0.000 0.276 16 S C 0.930 175.540 174.600 0.018 0.000 1.192 16 S CA -0.861 57.345 58.200 0.010 0.000 0.994 16 S CB 1.026 64.230 63.200 0.005 0.000 1.012 16 S HN 0.559 nan 8.310 nan 0.000 0.550 17 L N 0.572 121.802 121.223 0.012 0.000 2.201 17 L HA 0.012 4.341 4.340 -0.017 0.000 0.212 17 L C 2.931 179.812 176.870 0.018 0.000 1.105 17 L CA 1.201 56.049 54.840 0.014 0.000 0.775 17 L CB -1.011 41.051 42.059 0.006 0.000 0.913 17 L HN 0.921 nan 8.230 nan 0.000 0.440 18 A N -0.261 122.569 122.820 0.017 0.000 2.019 18 A HA -0.161 4.149 4.320 -0.017 0.000 0.219 18 A C 2.338 179.945 177.584 0.039 0.000 1.164 18 A CA 2.225 54.273 52.037 0.018 0.000 0.644 18 A CB -0.607 18.401 19.000 0.013 0.000 0.805 18 A HN 0.384 nan 8.150 nan 0.000 0.449 19 T N -0.179 114.411 114.554 0.060 0.000 2.901 19 T HA 0.088 4.427 4.350 -0.017 0.000 0.252 19 T C 1.779 176.567 174.700 0.148 0.000 1.035 19 T CA 0.973 63.149 62.100 0.127 0.000 1.142 19 T CB -0.302 68.626 68.868 0.101 0.000 0.869 19 T HN 0.312 nan 8.240 nan 0.000 0.442 20 L N 1.266 122.541 121.223 0.087 0.000 2.187 20 L HA -0.061 4.268 4.340 -0.017 0.000 0.213 20 L C 2.879 179.777 176.870 0.046 0.000 1.100 20 L CA 0.889 55.774 54.840 0.076 0.000 0.765 20 L CB -0.580 41.505 42.059 0.045 0.000 0.904 20 L HN 0.250 nan 8.230 nan 0.000 0.437 21 A N -0.301 122.533 122.820 0.024 0.000 2.131 21 A HA -0.132 4.178 4.320 -0.017 0.000 0.220 21 A C 2.092 179.650 177.584 -0.045 0.000 1.158 21 A CA 1.518 53.554 52.037 -0.002 0.000 0.665 21 A CB -0.467 18.532 19.000 -0.002 0.000 0.795 21 A HN 0.475 nan 8.150 nan 0.000 0.460 22 I N -2.873 117.641 120.570 -0.093 0.000 3.790 22 I HA 0.081 4.241 4.170 -0.017 0.000 0.305 22 I C 1.549 177.419 176.117 -0.412 0.000 1.253 22 I CA 0.341 61.468 61.300 -0.287 0.000 1.355 22 I CB 0.186 37.936 38.000 -0.416 0.000 1.137 22 I HN 0.321 nan 8.210 nan 0.000 0.435 23 H N -0.200 118.878 119.070 0.014 0.000 3.170 23 H HA 0.293 4.839 4.556 -0.017 0.000 0.264 23 H C 1.121 176.458 175.328 0.015 0.000 1.113 23 H CA 0.076 56.133 56.048 0.016 0.000 1.194 23 H CB 0.356 30.125 29.762 0.011 0.000 1.553 23 H HN 0.137 nan 8.280 nan 0.000 0.538 24 G N 0.756 109.618 108.800 0.102 0.000 2.202 24 G HA2 0.199 4.148 3.960 -0.017 0.000 0.251 24 G HA3 0.199 4.148 3.960 -0.017 0.000 0.251 24 G C 1.136 176.067 174.900 0.051 0.000 1.219 24 G CA 0.476 45.614 45.100 0.062 0.000 0.943 24 G HN 0.459 nan 8.290 nan 0.000 0.465 25 G N 1.278 110.102 108.800 0.041 0.000 2.309 25 G HA2 -0.259 3.691 3.960 -0.017 0.000 0.286 25 G HA3 -0.259 3.691 3.960 -0.017 0.000 0.286 25 G C 0.513 175.447 174.900 0.057 0.000 1.002 25 G CA 0.843 45.965 45.100 0.036 0.000 0.786 25 G HN 0.747 nan 8.290 nan 0.000 0.511 26 Q N -0.464 119.381 119.800 0.076 0.000 2.195 26 Q HA 0.726 5.056 4.340 -0.017 0.000 0.250 26 Q C 0.860 176.916 176.000 0.093 0.000 0.988 26 Q CA 0.159 56.011 55.803 0.083 0.000 0.911 26 Q CB 1.552 30.329 28.738 0.066 0.000 1.258 26 Q HN 0.761 nan 8.270 nan 0.000 0.475 27 S N 0.813 116.565 115.700 0.088 0.000 3.716 27 S HA -0.122 4.338 4.470 -0.017 0.000 0.741 27 S C -2.183 172.463 174.600 0.076 0.000 1.683 27 S CA 0.373 58.625 58.200 0.087 0.000 1.667 27 S CB -1.101 62.163 63.200 0.106 0.000 0.373 27 S HN 0.738 nan 8.310 nan 0.000 0.933 28 P HA 0.473 nan 4.420 nan 0.000 0.303 28 P C -0.690 176.647 177.300 0.062 0.000 1.524 28 P CA 0.613 63.752 63.100 0.064 0.000 1.267 28 P CB -0.068 31.666 31.700 0.056 0.000 1.596 29 D N 0.917 121.360 120.400 0.071 0.000 4.030 29 D HA -0.085 4.545 4.640 -0.017 0.000 0.222 29 D C -1.624 174.714 176.300 0.064 0.000 1.288 29 D CA 0.045 54.093 54.000 0.080 0.000 0.865 29 D CB -0.655 40.191 40.800 0.076 0.000 0.486 29 D HN 0.022 nan 8.370 nan 0.000 0.213 30 P HA -0.112 nan 4.420 nan 0.000 0.215 30 P C 0.658 177.985 177.300 0.045 0.000 1.153 30 P CA 0.618 63.748 63.100 0.049 0.000 0.853 30 P CB 0.142 31.870 31.700 0.047 0.000 0.788 31 S N -1.070 114.663 115.700 0.055 0.000 2.564 31 S HA 0.276 4.736 4.470 -0.017 0.000 0.278 31 S C 1.065 175.686 174.600 0.035 0.000 1.333 31 S CA 0.904 59.131 58.200 0.045 0.000 1.048 31 S CB -0.620 62.614 63.200 0.056 0.000 0.900 31 S HN 0.555 nan 8.310 nan 0.000 0.505 32 T N 1.535 116.102 114.554 0.022 0.000 10.376 32 T HA -0.230 4.110 4.350 -0.017 0.000 0.366 32 T C 1.724 176.431 174.700 0.011 0.000 1.790 32 T CA 1.740 63.846 62.100 0.011 0.000 2.837 32 T CB -2.314 66.555 68.868 0.002 0.000 2.485 32 T HN 2.340 nan 8.240 nan 0.000 0.947 33 G N 1.763 110.575 108.800 0.020 0.000 2.194 33 G HA2 0.228 4.178 3.960 -0.017 0.000 0.236 33 G HA3 0.228 4.178 3.960 -0.017 0.000 0.236 33 G C 0.621 175.535 174.900 0.023 0.000 0.987 33 G CA 0.804 45.917 45.100 0.021 0.000 0.635 33 G HN 2.247 nan 8.290 nan 0.000 0.520 34 A N 0.472 123.304 122.820 0.019 0.000 2.545 34 A HA 0.555 4.865 4.320 -0.017 0.000 0.253 34 A C 1.681 179.284 177.584 0.031 0.000 1.074 34 A CA 0.827 52.873 52.037 0.014 0.000 0.760 34 A CB 0.560 19.557 19.000 -0.006 0.000 1.005 34 A HN 1.058 nan 8.150 nan 0.000 0.506 35 V N 3.385 123.318 119.914 0.032 0.000 2.490 35 V HA -0.136 3.973 4.120 -0.017 0.000 0.250 35 V C 1.175 177.300 176.094 0.052 0.000 1.061 35 V CA 1.246 63.571 62.300 0.042 0.000 1.064 35 V CB -0.500 31.345 31.823 0.037 0.000 0.670 35 V HN 0.777 nan 8.190 nan 0.000 0.461 36 M N 1.093 120.728 119.600 0.059 0.000 2.268 36 M HA 0.403 4.873 4.480 -0.017 0.000 0.344 36 M C -2.611 173.748 176.300 0.099 0.000 1.106 36 M CA -2.389 52.971 55.300 0.100 0.000 1.010 36 M CB 1.088 33.775 32.600 0.145 0.000 1.649 36 M HN -0.022 nan 8.290 nan 0.000 0.443 37 P HA 0.217 nan 4.420 nan 0.000 0.268 37 P C -2.565 174.745 177.300 0.016 0.000 1.204 37 P CA -0.825 62.343 63.100 0.113 0.000 0.768 37 P CB -0.678 31.119 31.700 0.161 0.000 0.842 38 P HA 0.093 nan 4.420 nan 0.000 0.267 38 P C -0.024 177.064 177.300 -0.352 0.000 1.201 38 P CA 0.358 63.281 63.100 -0.294 0.000 0.775 38 P CB 0.492 31.927 31.700 -0.441 0.000 0.854 39 I N 2.594 122.846 120.570 -0.530 0.000 2.281 39 I HA 0.104 4.263 4.170 -0.017 0.000 0.293 39 I C 0.176 175.991 176.117 -0.504 0.000 1.085 39 I CA -0.526 60.456 61.300 -0.529 0.000 1.257 39 I CB -0.254 37.294 38.000 -0.754 0.000 1.430 39 I HN 0.254 nan 8.210 nan 0.000 0.489 40 Y N 5.575 125.686 120.300 -0.315 0.000 2.573 40 Y HA 0.260 4.800 4.550 -0.017 0.000 0.346 40 Y C 1.039 176.755 175.900 -0.307 0.000 1.198 40 Y CA -0.424 57.518 58.100 -0.263 0.000 1.627 40 Y CB 0.371 38.716 38.460 -0.191 0.000 1.457 40 Y HN 0.624 nan 8.280 nan 0.000 0.483 41 A N 3.550 126.217 122.820 -0.255 0.000 2.915 41 A HA 0.452 4.762 4.320 -0.017 0.000 0.292 41 A C 0.095 177.599 177.584 -0.133 0.000 1.632 41 A CA -0.192 51.719 52.037 -0.209 0.000 1.337 41 A CB -0.793 18.088 19.000 -0.199 0.000 1.111 41 A HN 0.582 nan 8.150 nan 0.000 0.569 42 T N -1.769 112.702 114.554 -0.138 0.000 2.900 42 T HA 0.534 4.874 4.350 -0.017 0.000 0.303 42 T C 0.888 175.497 174.700 -0.152 0.000 1.142 42 T CA 0.013 61.995 62.100 -0.197 0.000 1.007 42 T CB 1.631 70.242 68.868 -0.428 0.000 1.156 42 T HN 0.633 nan 8.240 nan 0.000 0.490 43 S N 0.548 116.172 115.700 -0.126 0.000 2.460 43 S HA 0.228 4.687 4.470 -0.017 0.000 0.226 43 S C 0.839 175.419 174.600 -0.032 0.000 1.057 43 S CA 0.334 58.508 58.200 -0.044 0.000 0.948 43 S CB -0.415 62.777 63.200 -0.013 0.000 0.822 43 S HN 1.039 nan 8.310 nan 0.000 0.512 44 T N -0.048 114.428 114.554 -0.129 0.000 2.924 44 T HA 0.712 5.052 4.350 -0.017 0.000 0.291 44 T C -1.436 173.099 174.700 -0.276 0.000 1.045 44 T CA -0.694 61.371 62.100 -0.057 0.000 1.015 44 T CB 1.268 70.148 68.868 0.020 0.000 1.103 44 T HN 0.285 nan 8.240 nan 0.000 0.496 45 Y N -0.017 120.310 120.300 0.045 0.000 2.446 45 Y HA 0.649 5.189 4.550 -0.017 0.000 0.345 45 Y C 0.459 176.388 175.900 0.048 0.000 0.984 45 Y CA -1.402 56.733 58.100 0.058 0.000 1.058 45 Y CB 1.760 40.279 38.460 0.098 0.000 1.220 45 Y HN 1.011 nan 8.280 nan 0.000 0.455 46 A N 3.008 125.928 122.820 0.167 0.000 2.302 46 A HA 0.658 4.968 4.320 -0.017 0.000 0.285 46 A C -0.447 177.201 177.584 0.105 0.000 1.105 46 A CA -0.436 51.664 52.037 0.106 0.000 0.816 46 A CB 0.617 19.657 19.000 0.068 0.000 1.067 46 A HN 0.828 nan 8.150 nan 0.000 0.489 47 Q N -0.323 119.521 119.800 0.072 0.000 3.022 47 Q HA 0.693 5.022 4.340 -0.017 0.000 0.313 47 Q C 0.065 176.088 176.000 0.038 0.000 1.018 47 Q CA -0.472 55.364 55.803 0.053 0.000 0.799 47 Q CB 1.431 30.197 28.738 0.048 0.000 1.498 47 Q HN 0.449 nan 8.270 nan 0.000 0.494 48 S N -1.182 114.535 115.700 0.028 0.000 2.670 48 S HA 0.262 4.722 4.470 -0.017 0.000 0.241 48 S C 0.094 174.705 174.600 0.018 0.000 1.077 48 S CA 0.353 58.566 58.200 0.022 0.000 0.899 48 S CB 0.731 63.942 63.200 0.018 0.000 0.835 48 S HN 0.535 nan 8.310 nan 0.000 0.481 62 H N 1.053 120.086 119.070 -0.062 0.000 2.525 62 H HA 0.643 5.189 4.556 -0.017 0.000 0.340 62 H C -1.125 173.965 175.328 -0.398 0.000 1.168 62 H CA -0.667 55.312 56.048 -0.115 0.000 1.247 62 H CB 1.716 31.485 29.762 0.013 0.000 1.568 62 H HN 0.816 nan 8.280 nan 0.000 0.536 63 N N 3.628 121.576 118.700 -1.253 0.000 2.621 63 N HA 0.152 4.882 4.740 -0.017 0.000 0.271 63 N C -2.462 172.388 175.510 -1.101 0.000 1.181 63 N CA -1.449 51.017 53.050 -0.974 0.000 0.805 63 N CB 1.943 40.151 38.487 -0.466 0.000 1.351 63 N HN 0.273 nan 8.380 nan 0.000 0.539 64 P HA -0.145 nan 4.420 nan 0.000 0.216 64 P C 1.157 178.336 177.300 -0.201 0.000 1.154 64 P CA 1.818 64.628 63.100 -0.484 0.000 0.865 64 P CB 0.312 31.635 31.700 -0.627 0.000 0.789 65 T N -0.963 113.530 114.554 -0.101 0.000 2.674 65 T HA -0.177 4.163 4.350 -0.017 0.000 0.265 65 T C 1.871 176.594 174.700 0.038 0.000 1.039 65 T CA 1.247 63.370 62.100 0.038 0.000 1.150 65 T CB -0.589 68.301 68.868 0.036 0.000 0.864 65 T HN 0.131 nan 8.240 nan 0.000 0.427 66 R N -0.148 120.311 120.500 -0.068 0.000 2.105 66 R HA -0.107 4.223 4.340 -0.017 0.000 0.239 66 R C 2.091 178.475 176.300 0.140 0.000 1.135 66 R CA 1.399 57.516 56.100 0.029 0.000 0.967 66 R CB -0.324 29.947 30.300 -0.049 0.000 0.861 66 R HN 0.314 nan 8.270 nan 0.000 0.442 67 F N 0.206 120.161 119.950 0.008 0.000 2.186 67 F HA -0.024 4.492 4.527 -0.017 0.000 0.299 67 F C 2.460 178.256 175.800 -0.007 0.000 1.090 67 F CA 0.618 58.601 58.000 -0.028 0.000 1.307 67 F CB -1.222 37.765 39.000 -0.022 0.000 1.019 67 F HN 0.109 nan 8.300 nan 0.000 0.489 68 A N -0.254 122.705 122.820 0.231 0.000 1.858 68 A HA -0.256 4.053 4.320 -0.017 0.000 0.216 68 A C 2.176 179.872 177.584 0.187 0.000 1.190 68 A CA 1.560 53.701 52.037 0.174 0.000 0.617 68 A CB -1.612 17.484 19.000 0.160 0.000 0.827 68 A HN 0.378 nan 8.150 nan 0.000 0.443 69 Y N 1.135 121.466 120.300 0.051 0.000 2.069 69 Y HA -0.262 4.277 4.550 -0.018 0.000 0.278 69 Y C 2.183 178.089 175.900 0.009 0.000 1.175 69 Y CA 2.232 60.345 58.100 0.021 0.000 1.134 69 Y CB -0.872 37.600 38.460 0.021 0.000 0.965 69 Y HN 0.541 nan 8.280 nan 0.000 0.498 70 E N -0.444 119.685 120.200 -0.119 0.000 2.047 70 E HA -0.193 4.146 4.350 -0.017 0.000 0.191 70 E C 2.396 178.894 176.600 -0.170 0.000 0.987 70 E CA 1.136 57.377 56.400 -0.265 0.000 0.799 70 E CB -0.221 29.352 29.700 -0.211 0.000 0.752 70 E HN 0.402 nan 8.360 nan 0.000 0.449 71 R N 0.082 120.538 120.500 -0.074 0.000 2.127 71 R HA -0.160 4.170 4.340 -0.017 0.000 0.238 71 R C 2.510 178.786 176.300 -0.040 0.000 1.134 71 R CA 1.166 57.228 56.100 -0.063 0.000 0.975 71 R CB -0.545 29.745 30.300 -0.017 0.000 0.865 71 R HN 0.306 nan 8.270 nan 0.000 0.447 72 C N -0.041 119.252 119.300 -0.010 0.000 2.476 72 C HA -0.001 4.448 4.460 -0.017 0.000 0.278 72 C C 2.623 177.601 174.990 -0.019 0.000 1.274 72 C CA 0.355 59.380 59.018 0.011 0.000 1.713 72 C CB -0.650 27.128 27.740 0.064 0.000 2.039 72 C HN 0.258 nan 8.230 nan 0.000 0.484 73 V N 1.913 121.783 119.914 -0.074 0.000 2.295 73 V HA -0.168 3.942 4.120 -0.017 0.000 0.246 73 V C 2.948 179.002 176.094 -0.066 0.000 1.049 73 V CA 2.262 64.504 62.300 -0.097 0.000 1.024 73 V CB -1.425 30.273 31.823 -0.208 0.000 0.648 73 V HN 0.671 nan 8.190 nan 0.000 0.447 74 A N -0.049 122.720 122.820 -0.085 0.000 1.958 74 A HA -0.230 4.080 4.320 -0.017 0.000 0.221 74 A C 2.391 179.958 177.584 -0.029 0.000 1.178 74 A CA 2.500 54.501 52.037 -0.059 0.000 0.642 74 A CB -0.742 18.199 19.000 -0.097 0.000 0.816 74 A HN 0.612 nan 8.150 nan 0.000 0.453 75 A N -0.436 122.369 122.820 -0.026 0.000 1.854 75 A HA 0.055 4.365 4.320 -0.017 0.000 0.214 75 A C 2.135 179.719 177.584 0.000 0.000 1.192 75 A CA 1.338 53.370 52.037 -0.009 0.000 0.611 75 A CB -0.617 18.383 19.000 0.000 0.000 0.832 75 A HN 0.458 nan 8.150 nan 0.000 0.442 76 L N -0.501 120.722 121.223 0.000 0.000 2.127 76 L HA -0.158 4.171 4.340 -0.017 0.000 0.211 76 L C 2.379 179.257 176.870 0.014 0.000 1.089 76 L CA 1.139 55.983 54.840 0.006 0.000 0.757 76 L CB -0.406 41.653 42.059 0.001 0.000 0.899 76 L HN 0.328 nan 8.230 nan 0.000 0.434 77 E N -0.089 120.123 120.200 0.019 0.000 2.371 77 E HA -0.023 4.317 4.350 -0.017 0.000 0.194 77 E C 1.593 178.209 176.600 0.027 0.000 1.012 77 E CA 0.822 57.247 56.400 0.041 0.000 0.860 77 E CB 0.261 30.001 29.700 0.067 0.000 0.811 77 E HN 0.499 nan 8.360 nan 0.000 0.502 78 G N 0.656 109.464 108.800 0.014 0.000 2.141 78 G HA2 -0.219 3.731 3.960 -0.017 0.000 0.242 78 G HA3 -0.219 3.731 3.960 -0.017 0.000 0.242 78 G C 0.577 175.482 174.900 0.008 0.000 0.982 78 G CA 0.219 45.325 45.100 0.009 0.000 0.662 78 G HN 0.519 nan 8.290 nan 0.000 0.527 79 G N -1.286 107.518 108.800 0.007 0.000 2.531 79 G HA2 0.651 4.601 3.960 -0.017 0.000 0.313 79 G HA3 0.651 4.601 3.960 -0.017 0.000 0.313 79 G C 1.094 175.990 174.900 -0.007 0.000 1.238 79 G CA 0.877 45.982 45.100 0.009 0.000 0.994 79 G HN 1.074 nan 8.290 nan 0.000 0.493 80 T N -3.194 111.358 114.554 -0.004 0.000 3.037 80 T HA 0.322 4.662 4.350 -0.017 0.000 0.252 80 T C 0.913 175.572 174.700 -0.069 0.000 1.073 80 T CA 0.145 62.230 62.100 -0.025 0.000 1.091 80 T CB 0.206 69.069 68.868 -0.008 0.000 0.935 80 T HN 0.398 nan 8.240 nan 0.000 0.488 81 R N -0.037 120.414 120.500 -0.081 0.000 2.561 81 R HA 0.707 5.037 4.340 -0.017 0.000 0.266 81 R C -1.560 174.561 176.300 -0.299 0.000 1.091 81 R CA -0.526 55.427 56.100 -0.245 0.000 0.927 81 R CB 2.217 32.346 30.300 -0.285 0.000 1.240 81 R HN 0.334 nan 8.270 nan 0.000 0.449 82 A N 2.369 124.898 122.820 -0.486 0.000 2.313 82 A HA 0.927 5.236 4.320 -0.017 0.000 0.323 82 A C -1.353 175.779 177.584 -0.753 0.000 1.133 82 A CA -0.489 51.330 52.037 -0.364 0.000 0.847 82 A CB 0.912 19.781 19.000 -0.219 0.000 1.308 82 A HN 0.489 nan 8.150 nan 0.000 0.475 83 F N -0.395 119.468 119.950 -0.145 0.000 2.585 83 F HA 0.587 5.104 4.527 -0.017 0.000 0.319 83 F C 0.376 175.839 175.800 -0.561 0.000 1.165 83 F CA -0.397 57.419 58.000 -0.308 0.000 0.949 83 F CB 1.938 40.793 39.000 -0.242 0.000 1.218 83 F HN 0.704 nan 8.300 nan 0.000 0.453 84 A N 3.545 126.119 122.820 -0.411 0.000 2.290 84 A HA 0.851 5.160 4.320 -0.017 0.000 0.310 84 A C -1.379 175.949 177.584 -0.426 0.000 1.202 84 A CA -0.228 51.626 52.037 -0.306 0.000 0.837 84 A CB 0.283 19.252 19.000 -0.052 0.000 1.139 84 A HN 0.546 nan 8.150 nan 0.000 0.509 85 F N 0.648 120.709 119.950 0.185 0.000 2.593 85 F HA 0.566 5.083 4.527 -0.017 0.000 0.320 85 F C 1.381 177.273 175.800 0.154 0.000 1.060 85 F CA -0.142 57.954 58.000 0.160 0.000 0.940 85 F CB 1.813 40.902 39.000 0.148 0.000 1.268 85 F HN 0.660 nan 8.300 nan 0.000 0.475 86 A N 0.999 124.025 122.820 0.343 0.000 1.971 86 A HA -0.026 4.284 4.320 -0.017 0.000 0.222 86 A C 0.700 178.403 177.584 0.198 0.000 1.182 86 A CA 2.244 54.415 52.037 0.223 0.000 0.649 86 A CB -0.728 18.379 19.000 0.179 0.000 0.818 86 A HN 0.857 nan 8.150 nan 0.000 0.458 87 S N -5.522 110.312 115.700 0.223 0.000 2.611 87 S HA 0.526 4.986 4.470 -0.017 0.000 0.268 87 S C 0.957 175.677 174.600 0.200 0.000 1.156 87 S CA 0.092 58.401 58.200 0.180 0.000 0.817 87 S CB 0.838 64.115 63.200 0.129 0.000 1.122 87 S HN 0.975 nan 8.310 nan 0.000 0.466 88 G N 0.876 109.779 108.800 0.172 0.000 2.505 88 G HA2 -0.214 3.736 3.960 -0.017 0.000 0.220 88 G HA3 -0.214 3.736 3.960 -0.017 0.000 0.220 88 G C 1.196 176.174 174.900 0.130 0.000 1.145 88 G CA 1.417 46.613 45.100 0.160 0.000 0.761 88 G HN 0.541 nan 8.290 nan 0.000 0.571 89 M N 1.102 120.767 119.600 0.108 0.000 2.117 89 M HA 0.024 4.493 4.480 -0.017 0.000 0.262 89 M C 3.016 179.316 176.300 0.000 0.000 1.065 89 M CA 1.309 56.644 55.300 0.057 0.000 1.114 89 M CB -1.296 31.335 32.600 0.052 0.000 1.361 89 M HN 0.333 nan 8.290 nan 0.000 0.408 90 A N -0.243 122.583 122.820 0.009 0.000 1.972 90 A HA 0.011 4.321 4.320 -0.017 0.000 0.219 90 A C 2.391 179.754 177.584 -0.369 0.000 1.169 90 A CA 1.941 53.924 52.037 -0.090 0.000 0.635 90 A CB -0.818 18.199 19.000 0.028 0.000 0.810 90 A HN 0.489 nan 8.150 nan 0.000 0.446 91 A N -0.938 121.744 122.820 -0.230 0.000 1.877 91 A HA -0.077 4.232 4.320 -0.017 0.000 0.216 91 A C 2.321 179.798 177.584 -0.178 0.000 1.186 91 A CA 2.281 54.088 52.037 -0.382 0.000 0.620 91 A CB -1.302 17.837 19.000 0.233 0.000 0.822 91 A HN 0.408 nan 8.150 nan 0.000 0.443 92 T N 0.907 115.480 114.554 0.031 0.000 2.622 92 T HA -0.179 4.161 4.350 -0.017 0.000 0.266 92 T C 2.320 177.037 174.700 0.029 0.000 1.047 92 T CA 2.231 64.415 62.100 0.139 0.000 1.159 92 T CB -0.577 68.316 68.868 0.042 0.000 0.863 92 T HN 0.706 nan 8.240 nan 0.000 0.422 93 S N 1.557 117.222 115.700 -0.058 0.000 2.372 93 S HA -0.195 4.264 4.470 -0.017 0.000 0.227 93 S C 2.251 176.813 174.600 -0.063 0.000 1.044 93 S CA 1.907 60.080 58.200 -0.045 0.000 1.050 93 S CB -1.295 61.871 63.200 -0.056 0.000 0.901 93 S HN 0.523 nan 8.310 nan 0.000 0.447 94 T N 2.119 116.552 114.554 -0.202 0.000 2.746 94 T HA -0.050 4.289 4.350 -0.017 0.000 0.267 94 T C 2.023 176.674 174.700 -0.081 0.000 1.039 94 T CA 1.274 63.256 62.100 -0.198 0.000 1.142 94 T CB -0.672 67.941 68.868 -0.425 0.000 0.866 94 T HN 0.382 nan 8.240 nan 0.000 0.444 95 V N 0.437 120.327 119.914 -0.041 0.000 2.626 95 V HA -0.080 4.030 4.120 -0.017 0.000 0.252 95 V C 2.156 178.333 176.094 0.138 0.000 1.067 95 V CA 1.546 63.894 62.300 0.079 0.000 1.081 95 V CB -0.589 31.328 31.823 0.156 0.000 0.686 95 V HN 0.320 nan 8.190 nan 0.000 0.468 96 M N 0.549 120.243 119.600 0.157 0.000 2.374 96 M HA 0.002 4.472 4.480 -0.017 0.000 0.264 96 M C 1.850 178.204 176.300 0.091 0.000 1.067 96 M CA 1.516 56.911 55.300 0.159 0.000 1.103 96 M CB -0.600 32.110 32.600 0.182 0.000 1.402 96 M HN 0.486 nan 8.290 nan 0.000 0.444 97 E N -0.720 119.518 120.200 0.064 0.000 2.502 97 E HA -0.080 4.260 4.350 -0.017 0.000 0.194 97 E C 1.467 178.101 176.600 0.056 0.000 1.062 97 E CA 0.015 56.446 56.400 0.052 0.000 0.867 97 E CB -0.092 29.632 29.700 0.040 0.000 0.888 97 E HN 0.283 nan 8.360 nan 0.000 0.510 98 L N 0.949 122.208 121.223 0.060 0.000 2.127 98 L HA -0.125 4.204 4.340 -0.017 0.000 0.211 98 L C 1.357 178.254 176.870 0.044 0.000 1.089 98 L CA 1.442 56.315 54.840 0.055 0.000 0.757 98 L CB -0.718 41.377 42.059 0.059 0.000 0.899 98 L HN 0.105 nan 8.230 nan 0.000 0.434 99 L N -1.015 120.231 121.223 0.038 0.000 2.506 99 L HA 0.074 4.403 4.340 -0.017 0.000 0.199 99 L C -0.272 176.604 176.870 0.010 0.000 1.178 99 L CA -0.170 54.678 54.840 0.014 0.000 0.868 99 L CB -0.008 42.045 42.059 -0.010 0.000 1.451 99 L HN 0.042 nan 8.230 nan 0.000 0.526 100 D N -0.980 119.415 120.400 -0.008 0.000 2.738 100 D HA 0.456 5.086 4.640 -0.017 0.000 0.237 100 D C -0.628 175.660 176.300 -0.021 0.000 1.123 100 D CA -0.472 53.524 54.000 -0.007 0.000 0.856 100 D CB 1.641 42.437 40.800 -0.007 0.000 1.552 100 D HN 0.654 nan 8.370 nan 0.000 0.480 101 A N 1.541 124.354 122.820 -0.013 0.000 2.592 101 A HA 0.370 4.680 4.320 -0.017 0.000 0.250 101 A C 1.540 179.102 177.584 -0.037 0.000 1.017 101 A CA 1.046 53.071 52.037 -0.020 0.000 0.794 101 A CB -0.806 18.189 19.000 -0.009 0.000 0.917 101 A HN 1.185 nan 8.150 nan 0.000 0.515 102 G N 2.239 111.003 108.800 -0.059 0.000 2.143 102 G HA2 -0.186 3.764 3.960 -0.017 0.000 0.249 102 G HA3 -0.186 3.764 3.960 -0.017 0.000 0.249 102 G C 0.427 175.276 174.900 -0.084 0.000 0.981 102 G CA 0.354 45.412 45.100 -0.071 0.000 0.665 102 G HN 1.281 nan 8.290 nan 0.000 0.528 103 S N 0.248 115.888 115.700 -0.099 0.000 2.585 103 S HA 0.437 4.897 4.470 -0.017 0.000 0.273 103 S C 0.295 174.799 174.600 -0.160 0.000 1.339 103 S CA -0.362 57.779 58.200 -0.100 0.000 1.028 103 S CB 0.975 64.118 63.200 -0.095 0.000 0.906 103 S HN 0.479 nan 8.310 nan 0.000 0.528 104 H N 0.783 119.721 119.070 -0.220 0.000 2.483 104 H HA 0.630 5.176 4.556 -0.018 0.000 0.338 104 H C -1.450 173.719 175.328 -0.266 0.000 1.152 104 H CA -0.527 55.347 56.048 -0.291 0.000 1.264 104 H CB 0.956 30.604 29.762 -0.190 0.000 1.510 104 H HN 0.311 nan 8.280 nan 0.000 0.530 105 V N 5.092 124.357 119.914 -1.082 0.000 2.623 105 V HA 0.142 4.251 4.120 -0.017 0.000 0.304 105 V C -0.478 175.273 176.094 -0.572 0.000 1.054 105 V CA -0.825 61.084 62.300 -0.652 0.000 0.882 105 V CB 1.924 33.439 31.823 -0.513 0.000 1.002 105 V HN 0.540 nan 8.190 nan 0.000 0.424 106 V N 3.885 123.667 119.914 -0.221 0.000 2.407 106 V HA 0.849 4.958 4.120 -0.017 0.000 0.278 106 V C 0.427 176.602 176.094 0.136 0.000 1.037 106 V CA -0.204 62.100 62.300 0.007 0.000 0.900 106 V CB 1.310 33.273 31.823 0.233 0.000 0.983 106 V HN 1.015 nan 8.190 nan 0.000 0.459 107 A N 4.960 127.926 122.820 0.243 0.000 2.401 107 A HA 0.840 5.149 4.320 -0.017 0.000 0.310 107 A C -0.520 177.317 177.584 0.423 0.000 1.075 107 A CA -0.889 51.392 52.037 0.408 0.000 0.746 107 A CB 1.480 20.813 19.000 0.556 0.000 1.277 107 A HN 0.915 nan 8.150 nan 0.000 0.425 108 M N 3.043 122.855 119.600 0.354 0.000 2.307 108 M HA 0.085 4.555 4.480 -0.017 0.000 0.346 108 M C 1.210 177.650 176.300 0.233 0.000 1.552 108 M CA 0.275 55.721 55.300 0.244 0.000 1.116 108 M CB 0.059 32.770 32.600 0.186 0.000 1.889 108 M HN 0.800 nan 8.290 nan 0.000 0.460 109 D N 2.645 123.176 120.400 0.217 0.000 2.104 109 D HA -0.225 4.405 4.640 -0.017 0.000 0.194 109 D C 0.072 176.365 176.300 -0.012 0.000 0.994 109 D CA 1.159 55.248 54.000 0.148 0.000 0.830 109 D CB -0.510 40.405 40.800 0.192 0.000 0.959 109 D HN 0.701 nan 8.370 nan 0.000 0.452 110 D N 0.586 120.998 120.400 0.021 0.000 2.541 110 D HA 0.138 4.768 4.640 -0.017 0.000 0.231 110 D C -0.745 175.552 176.300 -0.004 0.000 1.163 110 D CA -0.286 53.711 54.000 -0.005 0.000 1.077 110 D CB -0.475 40.339 40.800 0.024 0.000 1.110 110 D HN 0.039 nan 8.370 nan 0.000 0.499 111 L N 3.623 124.797 121.223 -0.081 0.000 2.334 111 L HA 0.357 4.687 4.340 -0.017 0.000 0.275 111 L C -0.822 176.005 176.870 -0.072 0.000 1.036 111 L CA -1.070 53.745 54.840 -0.042 0.000 0.807 111 L CB 1.105 43.127 42.059 -0.063 0.000 1.231 111 L HN 0.207 nan 8.230 nan 0.000 0.438 112 Y N 3.322 123.558 120.300 -0.107 0.000 2.729 112 Y HA 0.212 4.752 4.550 -0.016 0.000 0.331 112 Y C 1.365 177.157 175.900 -0.180 0.000 1.208 112 Y CA 0.596 58.625 58.100 -0.118 0.000 1.521 112 Y CB 0.900 39.324 38.460 -0.061 0.000 1.233 112 Y HN 0.829 nan 8.280 nan 0.000 0.539 113 G N 4.795 113.117 108.800 -0.796 0.000 2.649 113 G HA2 -0.409 3.540 3.960 -0.017 0.000 0.220 113 G HA3 -0.409 3.540 3.960 -0.017 0.000 0.220 113 G C 1.617 176.087 174.900 -0.716 0.000 1.189 113 G CA 1.125 45.775 45.100 -0.749 0.000 0.777 113 G HN 1.016 nan 8.290 nan 0.000 0.602 114 G N -0.293 107.807 108.800 -1.167 0.000 2.446 114 G HA2 -0.147 3.802 3.960 -0.017 0.000 0.217 114 G HA3 -0.147 3.802 3.960 -0.017 0.000 0.217 114 G C 1.840 176.495 174.900 -0.409 0.000 1.168 114 G CA 1.787 46.524 45.100 -0.605 0.000 0.771 114 G HN 0.430 nan 8.290 nan 0.000 0.551 115 T N 0.665 114.978 114.554 -0.402 0.000 2.929 115 T HA -0.072 4.268 4.350 -0.017 0.000 0.271 115 T C 1.832 176.036 174.700 -0.827 0.000 1.085 115 T CA 0.765 62.491 62.100 -0.624 0.000 1.125 115 T CB -0.197 68.360 68.868 -0.517 0.000 0.874 115 T HN 0.219 nan 8.240 nan 0.000 0.494 116 F N 2.659 122.232 119.950 -0.628 0.000 2.060 116 F HA -0.052 4.465 4.527 -0.017 0.000 0.295 116 F C 2.385 177.966 175.800 -0.366 0.000 1.120 116 F CA 1.198 58.917 58.000 -0.469 0.000 1.205 116 F CB -0.143 38.612 39.000 -0.408 0.000 0.986 116 F HN -0.032 nan 8.300 nan 0.000 0.470 117 R N -0.010 120.386 120.500 -0.173 0.000 2.120 117 R HA -0.132 4.198 4.340 -0.017 0.000 0.234 117 R C 2.088 178.266 176.300 -0.203 0.000 1.123 117 R CA 1.466 57.471 56.100 -0.160 0.000 0.975 117 R CB -1.090 29.149 30.300 -0.102 0.000 0.866 117 R HN 0.379 nan 8.270 nan 0.000 0.446 118 L N 0.708 121.760 121.223 -0.285 0.000 1.994 118 L HA -0.138 4.192 4.340 -0.017 0.000 0.208 118 L C 1.844 178.635 176.870 -0.132 0.000 1.071 118 L CA 1.734 56.444 54.840 -0.218 0.000 0.745 118 L CB -0.365 41.517 42.059 -0.294 0.000 0.892 118 L HN -0.094 nan 8.230 nan 0.000 0.431 119 F N 0.443 120.108 119.950 -0.474 0.000 1.983 119 F HA -0.128 4.389 4.527 -0.018 0.000 0.295 119 F C 2.675 178.128 175.800 -0.579 0.000 1.197 119 F CA 1.283 58.756 58.000 -0.877 0.000 1.165 119 F CB -1.474 36.558 39.000 -1.613 0.000 0.970 119 F HN 0.082 nan 8.300 nan 0.000 0.488 120 E N 0.522 120.489 120.200 -0.387 0.000 2.019 120 E HA -0.241 4.098 4.350 -0.017 0.000 0.208 120 E C 2.295 178.828 176.600 -0.112 0.000 1.030 120 E CA 1.632 57.887 56.400 -0.243 0.000 0.856 120 E CB -0.619 28.815 29.700 -0.444 0.000 0.781 120 E HN 0.313 nan 8.360 nan 0.000 0.471 121 R N -0.127 120.293 120.500 -0.133 0.000 2.189 121 R HA -0.059 4.270 4.340 -0.017 0.000 0.223 121 R C 2.158 178.444 176.300 -0.024 0.000 1.092 121 R CA 0.702 56.767 56.100 -0.057 0.000 0.989 121 R CB 0.182 30.455 30.300 -0.046 0.000 0.876 121 R HN 0.053 nan 8.270 nan 0.000 0.457 122 V N -1.003 118.900 119.914 -0.018 0.000 2.996 122 V HA 0.040 4.150 4.120 -0.017 0.000 0.235 122 V C 1.828 177.951 176.094 0.049 0.000 1.205 122 V CA 0.403 62.709 62.300 0.010 0.000 1.225 122 V CB 0.073 31.894 31.823 -0.003 0.000 0.995 122 V HN 0.048 nan 8.190 nan 0.000 0.484 123 R N 0.536 121.095 120.500 0.097 0.000 2.153 123 R HA 0.121 4.451 4.340 -0.017 0.000 0.218 123 R C 2.245 178.640 176.300 0.159 0.000 1.072 123 R CA 0.535 56.727 56.100 0.152 0.000 0.990 123 R CB -0.445 30.007 30.300 0.253 0.000 0.889 123 R HN 0.472 nan 8.270 nan 0.000 0.452 124 R N 0.304 120.919 120.500 0.192 0.000 2.122 124 R HA -0.178 4.151 4.340 -0.017 0.000 0.236 124 R C 2.302 178.635 176.300 0.056 0.000 1.129 124 R CA 1.864 58.036 56.100 0.120 0.000 0.925 124 R CB -0.427 29.937 30.300 0.107 0.000 0.850 124 R HN 0.127 nan 8.270 nan 0.000 0.431 125 R N -0.318 120.210 120.500 0.046 0.000 2.152 125 R HA -0.093 4.236 4.340 -0.017 0.000 0.232 125 R C 1.500 177.815 176.300 0.025 0.000 1.117 125 R CA 1.703 57.819 56.100 0.028 0.000 0.981 125 R CB 0.089 30.402 30.300 0.023 0.000 0.870 125 R HN 0.198 nan 8.270 nan 0.000 0.451 126 T N -1.810 112.765 114.554 0.034 0.000 3.000 126 T HA 0.240 4.579 4.350 -0.017 0.000 0.248 126 T C 0.730 175.445 174.700 0.026 0.000 1.034 126 T CA 0.642 62.759 62.100 0.029 0.000 1.060 126 T CB 0.901 69.789 68.868 0.033 0.000 0.983 126 T HN 0.289 nan 8.240 nan 0.000 0.482 127 A N 0.121 122.958 122.820 0.027 0.000 2.585 127 A HA 0.619 4.928 4.320 -0.017 0.000 0.266 127 A C 1.261 178.840 177.584 -0.010 0.000 1.178 127 A CA 0.396 52.441 52.037 0.012 0.000 0.966 127 A CB -0.091 18.920 19.000 0.018 0.000 1.170 127 A HN 0.573 nan 8.150 nan 0.000 0.558 128 G N 0.343 109.139 108.800 -0.006 0.000 2.314 128 G HA2 -0.189 3.760 3.960 -0.017 0.000 0.292 128 G HA3 -0.189 3.760 3.960 -0.017 0.000 0.292 128 G C -0.128 174.731 174.900 -0.068 0.000 1.059 128 G CA 0.429 45.514 45.100 -0.026 0.000 0.982 128 G HN 0.478 nan 8.290 nan 0.000 0.505 129 L N -0.066 121.110 121.223 -0.080 0.000 2.325 129 L HA 0.569 4.898 4.340 -0.017 0.000 0.279 129 L C -0.084 176.577 176.870 -0.348 0.000 1.054 129 L CA -0.650 54.038 54.840 -0.253 0.000 0.804 129 L CB 1.640 43.526 42.059 -0.289 0.000 1.200 129 L HN 0.256 nan 8.230 nan 0.000 0.436 130 D N 1.753 121.850 120.400 -0.506 0.000 2.350 130 D HA 0.569 5.199 4.640 -0.017 0.000 0.245 130 D C -1.382 174.541 176.300 -0.628 0.000 1.036 130 D CA -0.065 53.722 54.000 -0.356 0.000 0.848 130 D CB 1.367 42.096 40.800 -0.119 0.000 1.307 130 D HN 0.060 nan 8.370 nan 0.000 0.469 131 F N 0.774 120.649 119.950 -0.124 0.000 2.565 131 F HA 0.501 5.018 4.527 -0.017 0.000 0.313 131 F C -0.037 175.545 175.800 -0.365 0.000 1.091 131 F CA -0.809 56.994 58.000 -0.328 0.000 0.915 131 F CB 2.343 41.057 39.000 -0.477 0.000 1.208 131 F HN 0.084 nan 8.300 nan 0.000 0.453 132 S N 2.459 118.083 115.700 -0.127 0.000 2.605 132 S HA 0.646 5.105 4.470 -0.017 0.000 0.308 132 S C -1.210 173.291 174.600 -0.165 0.000 1.113 132 S CA -0.669 57.444 58.200 -0.145 0.000 1.049 132 S CB 0.602 63.895 63.200 0.155 0.000 1.001 132 S HN 0.292 nan 8.310 nan 0.000 0.480 133 F N 2.393 122.462 119.950 0.198 0.000 2.411 133 F HA 0.610 5.127 4.527 -0.017 0.000 0.350 133 F C 0.432 176.329 175.800 0.162 0.000 1.114 133 F CA -1.159 56.955 58.000 0.189 0.000 1.135 133 F CB 0.805 39.935 39.000 0.217 0.000 1.120 133 F HN 0.393 nan 8.300 nan 0.000 0.495 134 V N -0.737 119.373 119.914 0.326 0.000 2.888 134 V HA 0.385 4.495 4.120 -0.017 0.000 0.309 134 V C -0.531 175.674 176.094 0.185 0.000 1.114 134 V CA -1.137 61.300 62.300 0.229 0.000 0.940 134 V CB 1.942 33.891 31.823 0.210 0.000 1.021 134 V HN 0.777 nan 8.190 nan 0.000 0.426 135 D N 2.947 123.434 120.400 0.144 0.000 2.376 135 D HA 0.066 4.695 4.640 -0.017 0.000 0.278 135 D C 0.817 177.175 176.300 0.096 0.000 1.384 135 D CA 0.215 54.279 54.000 0.105 0.000 1.033 135 D CB 0.786 41.636 40.800 0.084 0.000 1.102 135 D HN 0.691 nan 8.370 nan 0.000 0.530 136 L N 3.089 124.359 121.223 0.078 0.000 2.552 136 L HA -0.089 4.241 4.340 -0.017 0.000 0.227 136 L C 2.428 179.319 176.870 0.035 0.000 1.146 136 L CA 0.248 55.114 54.840 0.043 0.000 0.858 136 L CB -0.196 41.852 42.059 -0.018 0.000 0.969 136 L HN 0.365 nan 8.230 nan 0.000 0.451 137 T N -1.031 113.549 114.554 0.043 0.000 2.721 137 T HA -0.227 4.113 4.350 -0.017 0.000 0.268 137 T C 0.933 175.664 174.700 0.052 0.000 1.038 137 T CA 1.380 63.506 62.100 0.043 0.000 1.145 137 T CB -0.213 68.680 68.868 0.042 0.000 0.858 137 T HN 0.229 nan 8.240 nan 0.000 0.459 138 D N 1.065 121.505 120.400 0.067 0.000 2.485 138 D HA 0.199 4.829 4.640 -0.017 0.000 0.221 138 D C -2.046 174.316 176.300 0.104 0.000 1.112 138 D CA -2.574 51.471 54.000 0.074 0.000 0.911 138 D CB 1.404 42.246 40.800 0.071 0.000 1.019 138 D HN 0.035 nan 8.370 nan 0.000 0.516 139 P HA -0.121 nan 4.420 nan 0.000 0.220 139 P C 0.969 178.353 177.300 0.140 0.000 1.144 139 P CA 0.951 64.144 63.100 0.156 0.000 0.800 139 P CB 0.330 32.101 31.700 0.119 0.000 0.772 140 A N 0.074 122.947 122.820 0.089 0.000 1.897 140 A HA -0.034 4.275 4.320 -0.017 0.000 0.215 140 A C 2.316 179.937 177.584 0.061 0.000 1.181 140 A CA 1.740 53.811 52.037 0.057 0.000 0.620 140 A CB -1.491 17.535 19.000 0.044 0.000 0.821 140 A HN 0.194 nan 8.150 nan 0.000 0.443 141 A N -0.932 121.943 122.820 0.092 0.000 1.940 141 A HA -0.101 4.209 4.320 -0.017 0.000 0.219 141 A C 2.019 179.698 177.584 0.158 0.000 1.176 141 A CA 1.780 53.883 52.037 0.110 0.000 0.631 141 A CB -0.727 18.344 19.000 0.119 0.000 0.814 141 A HN 0.708 nan 8.150 nan 0.000 0.446 142 F N 0.591 120.556 119.950 0.024 0.000 2.134 142 F HA -0.085 4.431 4.527 -0.018 0.000 0.299 142 F C 2.100 177.890 175.800 -0.018 0.000 1.097 142 F CA 1.924 59.930 58.000 0.010 0.000 1.264 142 F CB -0.332 38.667 39.000 -0.002 0.000 1.001 142 F HN 0.099 nan 8.300 nan 0.000 0.479 143 K N 0.357 120.622 120.400 -0.225 0.000 2.057 143 K HA -0.153 4.157 4.320 -0.017 0.000 0.207 143 K C 2.240 178.724 176.600 -0.193 0.000 1.049 143 K CA 1.262 57.344 56.287 -0.342 0.000 0.931 143 K CB -0.583 31.825 32.500 -0.155 0.000 0.714 143 K HN 0.351 nan 8.250 nan 0.000 0.440 144 A N 0.920 123.697 122.820 -0.071 0.000 1.933 144 A HA -0.096 4.214 4.320 -0.017 0.000 0.218 144 A C 2.213 179.795 177.584 -0.004 0.000 1.175 144 A CA 1.911 53.937 52.037 -0.019 0.000 0.628 144 A CB -0.475 18.534 19.000 0.014 0.000 0.814 144 A HN 0.390 nan 8.150 nan 0.000 0.444 145 A N -0.648 122.187 122.820 0.026 0.000 2.168 145 A HA 0.273 4.583 4.320 -0.017 0.000 0.215 145 A C 0.997 178.634 177.584 0.088 0.000 1.152 145 A CA 0.020 52.106 52.037 0.081 0.000 0.716 145 A CB -0.513 18.588 19.000 0.168 0.000 0.794 145 A HN 0.490 nan 8.150 nan 0.000 0.465 146 I N 0.155 120.711 120.570 -0.023 0.000 2.892 146 I HA 0.131 4.290 4.170 -0.017 0.000 0.287 146 I C 0.831 176.969 176.117 0.035 0.000 1.205 146 I CA 0.391 61.690 61.300 -0.000 0.000 1.409 146 I CB 0.412 38.315 38.000 -0.162 0.000 1.367 146 I HN 0.335 nan 8.210 nan 0.000 0.597 147 R N 2.756 123.297 120.500 0.068 0.000 2.906 147 R HA 0.591 4.921 4.340 -0.017 0.000 0.258 147 R C 0.510 176.822 176.300 0.020 0.000 1.156 147 R CA -0.586 55.511 56.100 -0.006 0.000 0.996 147 R CB 0.760 30.983 30.300 -0.130 0.000 1.259 147 R HN 0.583 nan 8.270 nan 0.000 0.462 148 A N 0.371 123.180 122.820 -0.018 0.000 1.898 148 A HA -0.132 4.177 4.320 -0.017 0.000 0.216 148 A C 1.080 178.664 177.584 -0.001 0.000 1.181 148 A CA 1.645 53.674 52.037 -0.014 0.000 0.620 148 A CB -0.432 18.549 19.000 -0.031 0.000 0.819 148 A HN 0.656 nan 8.150 nan 0.000 0.442 149 D N 0.214 120.608 120.400 -0.010 0.000 2.392 149 D HA -0.011 4.618 4.640 -0.017 0.000 0.228 149 D C 0.041 176.378 176.300 0.061 0.000 1.003 149 D CA 0.645 54.648 54.000 0.005 0.000 0.917 149 D CB -0.347 40.438 40.800 -0.025 0.000 0.890 149 D HN 0.278 nan 8.370 nan 0.000 0.532 150 T N 0.488 115.107 114.554 0.110 0.000 2.814 150 T HA 0.170 4.509 4.350 -0.017 0.000 0.297 150 T C 1.274 176.009 174.700 0.057 0.000 0.956 150 T CA 0.040 62.223 62.100 0.139 0.000 1.123 150 T CB 1.612 70.607 68.868 0.212 0.000 0.902 150 T HN -0.054 nan 8.240 nan 0.000 0.528 151 K N 2.054 122.458 120.400 0.007 0.000 2.477 151 K HA 0.383 4.692 4.320 -0.017 0.000 0.208 151 K C -0.114 176.502 176.600 0.026 0.000 1.117 151 K CA -0.007 56.288 56.287 0.014 0.000 1.039 151 K CB 0.718 33.215 32.500 -0.005 0.000 0.937 151 K HN 0.506 nan 8.250 nan 0.000 0.570 152 M N 1.559 121.172 119.600 0.021 0.000 2.346 152 M HA 0.171 4.641 4.480 -0.017 0.000 0.287 152 M C -1.874 174.468 176.300 0.070 0.000 1.100 152 M CA -0.721 54.611 55.300 0.053 0.000 0.950 152 M CB 1.937 34.571 32.600 0.056 0.000 1.815 152 M HN -0.234 nan 8.290 nan 0.000 0.497 153 V N 2.275 122.240 119.914 0.085 0.000 2.532 153 V HA 0.529 4.639 4.120 -0.017 0.000 0.295 153 V C -0.914 175.250 176.094 0.117 0.000 1.041 153 V CA -0.493 61.831 62.300 0.040 0.000 0.926 153 V CB 1.807 33.512 31.823 -0.196 0.000 0.992 153 V HN 0.878 nan 8.190 nan 0.000 0.457 154 W N 5.689 126.982 121.300 -0.011 0.000 2.296 154 W HA 0.638 5.288 4.660 -0.017 0.000 0.316 154 W C -1.373 175.156 176.519 0.016 0.000 1.022 154 W CA -0.905 56.473 57.345 0.056 0.000 1.324 154 W CB 1.465 31.048 29.460 0.206 0.000 1.227 154 W HN 0.475 nan 8.180 nan 0.000 0.409 155 I N 3.908 124.406 120.570 -0.121 0.000 2.577 155 I HA 0.226 4.385 4.170 -0.017 0.000 0.300 155 I C 0.032 176.078 176.117 -0.117 0.000 0.990 155 I CA -0.022 61.219 61.300 -0.098 0.000 1.283 155 I CB 1.667 39.571 38.000 -0.160 0.000 1.411 155 I HN 0.353 nan 8.210 nan 0.000 0.515 156 E N 2.868 123.052 120.200 -0.027 0.000 2.278 156 E HA 0.586 4.926 4.350 -0.017 0.000 0.272 156 E C -1.402 175.148 176.600 -0.084 0.000 0.890 156 E CA -0.516 55.850 56.400 -0.057 0.000 0.770 156 E CB 1.550 31.270 29.700 0.034 0.000 1.212 156 E HN 0.582 nan 8.360 nan 0.000 0.415 157 T N 4.399 118.883 114.554 -0.118 0.000 3.579 157 T HA 0.382 4.721 4.350 -0.017 0.000 0.360 157 T C -2.905 171.765 174.700 -0.049 0.000 1.285 157 T CA -1.196 60.859 62.100 -0.075 0.000 1.127 157 T CB 1.317 70.161 68.868 -0.041 0.000 1.244 157 T HN 0.235 nan 8.240 nan 0.000 0.476 158 P HA 0.316 nan 4.420 nan 0.000 0.274 158 P C -0.248 176.988 177.300 -0.106 0.000 1.260 158 P CA -0.193 62.920 63.100 0.022 0.000 0.793 158 P CB 0.361 32.145 31.700 0.139 0.000 1.048 159 T N -2.287 112.243 114.554 -0.039 0.000 2.943 159 T HA 0.446 4.786 4.350 -0.017 0.000 0.284 159 T C -0.252 174.447 174.700 -0.002 0.000 1.015 159 T CA -0.773 61.264 62.100 -0.104 0.000 1.042 159 T CB 0.652 69.513 68.868 -0.010 0.000 1.055 159 T HN 0.179 nan 8.240 nan 0.000 0.500 160 N N 2.130 120.828 118.700 -0.004 0.000 2.444 160 N HA 0.476 5.205 4.740 -0.017 0.000 0.262 160 N C -2.181 173.470 175.510 0.234 0.000 0.974 160 N CA -2.261 50.949 53.050 0.266 0.000 0.933 160 N CB 1.511 40.227 38.487 0.381 0.000 1.137 160 N HN 0.409 nan 8.380 nan 0.000 0.498 161 P HA 0.189 nan 4.420 nan 0.000 0.290 161 P C 0.415 177.780 177.300 0.108 0.000 1.519 161 P CA -0.047 63.150 63.100 0.161 0.000 1.189 161 P CB 0.494 32.230 31.700 0.061 0.000 1.569 162 M N -0.636 119.012 119.600 0.080 0.000 2.447 162 M HA 0.136 4.606 4.480 -0.017 0.000 0.264 162 M C 0.471 176.835 176.300 0.108 0.000 1.095 162 M CA 0.164 55.496 55.300 0.053 0.000 1.125 162 M CB -1.109 31.501 32.600 0.016 0.000 1.389 162 M HN -0.148 nan 8.290 nan 0.000 0.459 163 L N -0.296 121.017 121.223 0.150 0.000 4.089 163 L HA -0.246 4.084 4.340 -0.017 0.000 0.408 163 L C 0.331 177.325 176.870 0.207 0.000 1.184 163 L CA 0.608 55.563 54.840 0.191 0.000 0.947 163 L CB -2.583 39.609 42.059 0.221 0.000 2.066 163 L HN 0.287 nan 8.230 nan 0.000 0.851 164 K N -0.433 120.045 120.400 0.130 0.000 2.494 164 K HA 0.319 4.628 4.320 -0.017 0.000 0.273 164 K C 0.163 176.822 176.600 0.099 0.000 0.970 164 K CA -0.072 56.282 56.287 0.111 0.000 0.963 164 K CB 0.381 32.915 32.500 0.056 0.000 0.913 164 K HN 0.051 nan 8.250 nan 0.000 0.502 165 L N 2.112 123.394 121.223 0.100 0.000 2.365 165 L HA 0.368 4.697 4.340 -0.017 0.000 0.273 165 L C -0.957 175.933 176.870 0.034 0.000 1.000 165 L CA -0.606 54.266 54.840 0.052 0.000 0.819 165 L CB 1.943 44.030 42.059 0.047 0.000 1.284 165 L HN 0.353 nan 8.230 nan 0.000 0.418 166 V N 2.162 122.082 119.914 0.009 0.000 2.435 166 V HA 0.397 4.507 4.120 -0.017 0.000 0.290 166 V C -0.334 175.754 176.094 -0.011 0.000 1.030 166 V CA -0.577 61.721 62.300 -0.003 0.000 0.881 166 V CB 1.666 33.476 31.823 -0.021 0.000 0.983 166 V HN 0.784 nan 8.190 nan 0.000 0.445 167 D N 5.310 125.709 120.400 -0.002 0.000 2.385 167 D HA 0.071 4.701 4.640 -0.017 0.000 0.260 167 D C 1.310 177.599 176.300 -0.017 0.000 1.326 167 D CA 0.360 54.359 54.000 -0.002 0.000 1.023 167 D CB 0.444 41.251 40.800 0.011 0.000 1.083 167 D HN 0.677 nan 8.370 nan 0.000 0.517 168 I N 2.946 123.498 120.570 -0.029 0.000 2.181 168 I HA -0.380 3.779 4.170 -0.017 0.000 0.247 168 I C 2.392 178.492 176.117 -0.029 0.000 1.081 168 I CA 1.801 63.074 61.300 -0.044 0.000 1.340 168 I CB -0.053 37.919 38.000 -0.047 0.000 1.036 168 I HN 0.441 nan 8.210 nan 0.000 0.417 169 A N 0.095 122.908 122.820 -0.011 0.000 1.930 169 A HA -0.001 4.309 4.320 -0.017 0.000 0.215 169 A C 2.508 180.101 177.584 0.015 0.000 1.176 169 A CA 1.342 53.380 52.037 0.001 0.000 0.632 169 A CB -0.894 18.109 19.000 0.005 0.000 0.819 169 A HN 0.405 nan 8.150 nan 0.000 0.445 170 A N 1.264 124.095 122.820 0.019 0.000 1.859 170 A HA -0.247 4.062 4.320 -0.017 0.000 0.218 170 A C 2.036 179.656 177.584 0.060 0.000 1.242 170 A CA 2.178 54.238 52.037 0.038 0.000 0.661 170 A CB -1.058 17.964 19.000 0.037 0.000 0.842 170 A HN 0.782 nan 8.150 nan 0.000 0.455 171 I N -1.937 118.652 120.570 0.033 0.000 2.614 171 I HA -0.044 4.115 4.170 -0.017 0.000 0.258 171 I C 2.405 178.554 176.117 0.053 0.000 1.189 171 I CA 1.320 62.643 61.300 0.037 0.000 1.462 171 I CB -0.961 36.911 38.000 -0.212 0.000 1.092 171 I HN 0.282 nan 8.210 nan 0.000 0.442 172 A N 1.046 123.875 122.820 0.015 0.000 2.119 172 A HA 0.033 4.342 4.320 -0.017 0.000 0.216 172 A C 2.445 180.068 177.584 0.066 0.000 1.152 172 A CA 0.912 52.968 52.037 0.030 0.000 0.708 172 A CB -0.530 18.469 19.000 -0.001 0.000 0.805 172 A HN 0.291 nan 8.150 nan 0.000 0.460 173 V N 0.069 120.026 119.914 0.072 0.000 2.302 173 V HA -0.161 3.948 4.120 -0.017 0.000 0.243 173 V C 2.264 178.413 176.094 0.091 0.000 1.036 173 V CA 1.987 64.329 62.300 0.070 0.000 1.020 173 V CB -0.361 31.494 31.823 0.054 0.000 0.657 173 V HN 0.583 nan 8.190 nan 0.000 0.453 174 I N 0.801 121.439 120.570 0.114 0.000 2.163 174 I HA -0.225 3.934 4.170 -0.017 0.000 0.243 174 I C 2.740 178.900 176.117 0.071 0.000 1.085 174 I CA 1.697 63.031 61.300 0.057 0.000 1.347 174 I CB -0.837 37.171 38.000 0.013 0.000 1.044 174 I HN 0.350 nan 8.210 nan 0.000 0.408 175 A N 0.857 123.834 122.820 0.261 0.000 1.873 175 A HA -0.282 4.027 4.320 -0.017 0.000 0.218 175 A C 2.502 180.176 177.584 0.150 0.000 1.193 175 A CA 2.182 54.376 52.037 0.262 0.000 0.629 175 A CB -0.749 18.396 19.000 0.240 0.000 0.826 175 A HN 0.410 nan 8.150 nan 0.000 0.447 176 R N -0.481 120.088 120.500 0.116 0.000 2.148 176 R HA -0.106 4.223 4.340 -0.017 0.000 0.223 176 R C 2.074 178.437 176.300 0.104 0.000 1.088 176 R CA 1.533 57.688 56.100 0.092 0.000 0.985 176 R CB -0.199 30.140 30.300 0.065 0.000 0.880 176 R HN 0.511 nan 8.270 nan 0.000 0.451 177 K N 0.052 120.530 120.400 0.131 0.000 1.977 177 K HA -0.197 4.112 4.320 -0.017 0.000 0.218 177 K C 1.471 178.198 176.600 0.213 0.000 1.051 177 K CA 2.148 58.539 56.287 0.172 0.000 0.953 177 K CB -0.223 32.417 32.500 0.233 0.000 0.727 177 K HN 0.284 nan 8.250 nan 0.000 0.445 178 H N -0.671 118.398 119.070 -0.003 0.000 2.568 178 H HA 0.150 4.696 4.556 -0.017 0.000 0.275 178 H C 0.679 176.013 175.328 0.010 0.000 1.028 178 H CA 0.771 56.812 56.048 -0.013 0.000 1.173 178 H CB -0.499 29.234 29.762 -0.048 0.000 1.335 178 H HN 0.575 nan 8.280 nan 0.000 0.614 179 G N 0.566 109.448 108.800 0.136 0.000 2.272 179 G HA2 -0.261 3.688 3.960 -0.017 0.000 0.280 179 G HA3 -0.261 3.688 3.960 -0.017 0.000 0.280 179 G C -0.252 174.699 174.900 0.086 0.000 1.067 179 G CA 0.123 45.274 45.100 0.086 0.000 0.902 179 G HN 0.377 nan 8.290 nan 0.000 0.500 180 L N -0.318 120.969 121.223 0.107 0.000 2.317 180 L HA 0.566 4.895 4.340 -0.017 0.000 0.281 180 L C 1.191 178.109 176.870 0.080 0.000 1.024 180 L CA -1.257 53.643 54.840 0.101 0.000 0.810 180 L CB 1.429 43.580 42.059 0.154 0.000 1.240 180 L HN 0.022 nan 8.230 nan 0.000 0.427 181 L N 1.986 123.245 121.223 0.060 0.000 2.525 181 L HA 0.084 4.414 4.340 -0.017 0.000 0.278 181 L C 0.719 177.610 176.870 0.035 0.000 1.218 181 L CA 0.499 55.365 54.840 0.044 0.000 0.878 181 L CB 0.433 42.518 42.059 0.043 0.000 1.127 181 L HN 0.665 nan 8.230 nan 0.000 0.492 182 T N 2.944 117.500 114.554 0.003 0.000 2.792 182 T HA 0.613 4.952 4.350 -0.017 0.000 0.280 182 T C -0.610 174.032 174.700 -0.096 0.000 0.990 182 T CA -0.614 61.461 62.100 -0.042 0.000 0.960 182 T CB 1.208 70.048 68.868 -0.047 0.000 0.939 182 T HN 0.236 nan 8.240 nan 0.000 0.439 183 V N 5.207 125.016 119.914 -0.175 0.000 2.555 183 V HA 0.653 4.762 4.120 -0.017 0.000 0.302 183 V C -0.312 175.506 176.094 -0.459 0.000 1.038 183 V CA -0.754 61.341 62.300 -0.341 0.000 0.887 183 V CB 1.932 33.430 31.823 -0.541 0.000 0.991 183 V HN 0.855 nan 8.190 nan 0.000 0.434 184 V N 2.757 122.422 119.914 -0.415 0.000 2.495 184 V HA 0.402 4.511 4.120 -0.017 0.000 0.298 184 V C -0.356 175.468 176.094 -0.450 0.000 1.031 184 V CA -0.605 61.458 62.300 -0.396 0.000 0.871 184 V CB 1.970 33.651 31.823 -0.237 0.000 0.988 184 V HN 0.899 nan 8.190 nan 0.000 0.432 185 D N 3.731 123.865 120.400 -0.444 0.000 2.441 185 D HA 0.084 4.714 4.640 -0.017 0.000 0.221 185 D C 0.428 176.567 176.300 -0.268 0.000 1.156 185 D CA -0.073 53.734 54.000 -0.322 0.000 0.896 185 D CB 0.647 41.363 40.800 -0.141 0.000 1.028 185 D HN 0.554 nan 8.370 nan 0.000 0.509 186 N N 2.324 120.794 118.700 -0.384 0.000 2.322 186 N HA 0.003 4.733 4.740 -0.017 0.000 0.216 186 N C 1.024 176.422 175.510 -0.186 0.000 1.144 186 N CA 0.046 52.908 53.050 -0.314 0.000 0.830 186 N CB 0.278 38.563 38.487 -0.336 0.000 1.034 186 N HN 0.212 nan 8.380 nan 0.000 0.484 187 T N -0.232 114.285 114.554 -0.061 0.000 2.708 187 T HA -0.081 4.258 4.350 -0.017 0.000 0.266 187 T C 1.088 176.119 174.700 0.552 0.000 1.037 187 T CA 1.132 63.413 62.100 0.301 0.000 1.146 187 T CB -0.222 68.797 68.868 0.252 0.000 0.865 187 T HN 0.201 nan 8.240 nan 0.000 0.435 188 F N 1.774 121.809 119.950 0.143 0.000 2.084 188 F HA 0.315 4.831 4.527 -0.018 0.000 0.296 188 F C 1.768 177.558 175.800 -0.016 0.000 1.111 188 F CA -0.575 57.530 58.000 0.176 0.000 1.224 188 F CB -1.227 37.846 39.000 0.122 0.000 0.991 188 F HN 0.039 nan 8.300 nan 0.000 0.471 189 A N 0.709 123.644 122.820 0.191 0.000 2.454 189 A HA 0.415 4.724 4.320 -0.017 0.000 0.260 189 A C 0.701 178.326 177.584 0.068 0.000 1.106 189 A CA -0.015 52.045 52.037 0.039 0.000 0.780 189 A CB -0.250 18.779 19.000 0.049 0.000 1.044 189 A HN 0.325 nan 8.150 nan 0.000 0.498 190 S N 2.871 118.555 115.700 -0.028 0.000 2.625 190 S HA 0.290 4.750 4.470 -0.017 0.000 0.258 190 S C -1.994 172.682 174.600 0.127 0.000 1.256 190 S CA -0.683 57.567 58.200 0.083 0.000 0.983 190 S CB -0.476 62.723 63.200 -0.002 0.000 1.032 190 S HN 0.470 nan 8.310 nan 0.000 0.572 191 P HA 0.062 nan 4.420 nan 0.000 0.236 191 P C 0.910 178.229 177.300 0.032 0.000 1.172 191 P CA 0.768 63.918 63.100 0.084 0.000 0.759 191 P CB -0.060 31.672 31.700 0.054 0.000 0.843 192 M N -1.766 117.841 119.600 0.011 0.000 2.435 192 M HA 0.087 4.557 4.480 -0.017 0.000 0.265 192 M C 1.555 177.839 176.300 -0.026 0.000 1.104 192 M CA 1.293 56.586 55.300 -0.012 0.000 1.140 192 M CB -0.828 31.759 32.600 -0.023 0.000 1.372 192 M HN 0.050 nan 8.290 nan 0.000 0.456 193 L N -1.600 119.607 121.223 -0.027 0.000 2.590 193 L HA 0.229 4.559 4.340 -0.017 0.000 0.227 193 L C 0.594 177.450 176.870 -0.023 0.000 1.099 193 L CA 0.096 54.910 54.840 -0.043 0.000 0.872 193 L CB 0.199 42.224 42.059 -0.056 0.000 1.088 193 L HN 0.248 nan 8.230 nan 0.000 0.479 194 Q N 0.404 120.203 119.800 -0.001 0.000 2.507 194 Q HA 0.304 4.634 4.340 -0.017 0.000 0.248 194 Q C -1.173 174.838 176.000 0.017 0.000 0.941 194 Q CA -0.398 55.408 55.803 0.005 0.000 1.003 194 Q CB 1.640 30.382 28.738 0.008 0.000 1.517 194 Q HN 0.112 nan 8.270 nan 0.000 0.443 195 R N 4.385 124.890 120.500 0.009 0.000 2.477 195 R HA 0.260 4.590 4.340 -0.017 0.000 0.285 195 R C -2.071 174.230 176.300 0.001 0.000 1.415 195 R CA -1.668 54.441 56.100 0.014 0.000 1.446 195 R CB 1.015 31.323 30.300 0.013 0.000 1.110 195 R HN 0.365 nan 8.270 nan 0.000 0.590 196 P HA -0.181 nan 4.420 nan 0.000 0.218 196 P C 0.828 178.114 177.300 -0.024 0.000 1.146 196 P CA 1.184 64.265 63.100 -0.032 0.000 0.813 196 P CB 0.279 31.940 31.700 -0.065 0.000 0.778 197 L N -0.612 120.605 121.223 -0.010 0.000 2.093 197 L HA -0.144 4.185 4.340 -0.017 0.000 0.208 197 L C 2.409 179.279 176.870 -0.001 0.000 1.085 197 L CA 1.923 56.761 54.840 -0.003 0.000 0.755 197 L CB -1.358 40.706 42.059 0.008 0.000 0.904 197 L HN 0.085 nan 8.230 nan 0.000 0.435 198 S N -0.374 115.326 115.700 -0.000 0.000 2.555 198 S HA -0.011 4.449 4.470 -0.017 0.000 0.230 198 S C 1.490 176.089 174.600 -0.002 0.000 0.978 198 S CA 0.548 58.748 58.200 0.000 0.000 0.934 198 S CB -0.317 62.884 63.200 0.001 0.000 0.766 198 S HN 0.450 nan 8.310 nan 0.000 0.533 199 L N 0.251 121.470 121.223 -0.007 0.000 2.769 199 L HA 0.438 4.768 4.340 -0.017 0.000 0.240 199 L C 1.745 178.609 176.870 -0.009 0.000 1.163 199 L CA 0.280 55.115 54.840 -0.008 0.000 0.962 199 L CB -0.039 42.012 42.059 -0.014 0.000 1.258 199 L HN 0.571 nan 8.230 nan 0.000 0.513 200 G N 0.224 109.020 108.800 -0.007 0.000 2.284 200 G HA2 -0.258 3.692 3.960 -0.017 0.000 0.216 200 G HA3 -0.258 3.692 3.960 -0.017 0.000 0.216 200 G C 0.584 175.476 174.900 -0.014 0.000 1.009 200 G CA -0.149 44.949 45.100 -0.005 0.000 0.625 200 G HN 0.435 nan 8.290 nan 0.000 0.501 201 A N 0.679 123.480 122.820 -0.032 0.000 2.587 201 A HA 0.421 4.731 4.320 -0.017 0.000 0.235 201 A C 1.175 178.742 177.584 -0.029 0.000 1.044 201 A CA 1.368 53.375 52.037 -0.050 0.000 0.754 201 A CB 0.157 19.112 19.000 -0.075 0.000 0.968 201 A HN 0.338 nan 8.150 nan 0.000 0.509 202 D N 0.771 121.153 120.400 -0.030 0.000 2.262 202 D HA 0.172 4.802 4.640 -0.017 0.000 0.212 202 D C -0.073 176.226 176.300 -0.002 0.000 0.964 202 D CA 1.063 55.059 54.000 -0.006 0.000 0.875 202 D CB 0.178 40.980 40.800 0.004 0.000 0.996 202 D HN 0.442 nan 8.370 nan 0.000 0.497 203 L N 0.524 121.726 121.223 -0.035 0.000 2.388 203 L HA 0.356 4.685 4.340 -0.017 0.000 0.264 203 L C -0.718 176.096 176.870 -0.094 0.000 0.998 203 L CA -0.766 54.056 54.840 -0.030 0.000 0.817 203 L CB 3.129 45.173 42.059 -0.026 0.000 1.338 203 L HN -0.352 nan 8.230 nan 0.000 0.414 204 V N 2.451 122.332 119.914 -0.054 0.000 2.513 204 V HA 0.691 4.800 4.120 -0.017 0.000 0.299 204 V C -0.395 175.648 176.094 -0.085 0.000 1.035 204 V CA -0.744 61.489 62.300 -0.111 0.000 0.889 204 V CB 2.040 33.837 31.823 -0.042 0.000 0.988 204 V HN 0.518 nan 8.190 nan 0.000 0.440 205 V N 1.964 121.759 119.914 -0.198 0.000 2.769 205 V HA 0.714 4.824 4.120 -0.017 0.000 0.312 205 V C -0.879 175.118 176.094 -0.162 0.000 1.061 205 V CA -0.360 61.906 62.300 -0.056 0.000 0.931 205 V CB 2.121 33.964 31.823 0.033 0.000 1.010 205 V HN 0.895 nan 8.190 nan 0.000 0.433 206 H N 2.114 121.253 119.070 0.115 0.000 2.717 206 H HA 0.476 5.022 4.556 -0.017 0.000 0.366 206 H C -0.537 174.876 175.328 0.141 0.000 1.132 206 H CA -0.298 55.823 56.048 0.121 0.000 1.180 206 H CB 2.246 32.087 29.762 0.131 0.000 1.678 206 H HN 0.891 nan 8.280 nan 0.000 0.537 207 S N 1.710 117.549 115.700 0.231 0.000 2.405 207 S HA 0.243 4.703 4.470 -0.017 0.000 0.291 207 S C 1.235 175.966 174.600 0.218 0.000 1.137 207 S CA -0.114 58.197 58.200 0.185 0.000 1.061 207 S CB 0.256 63.495 63.200 0.065 0.000 1.001 207 S HN 0.722 nan 8.310 nan 0.000 0.507 208 A N 4.764 127.719 122.820 0.225 0.000 2.019 208 A HA -0.012 4.298 4.320 -0.017 0.000 0.219 208 A C 2.126 179.788 177.584 0.131 0.000 1.164 208 A CA 1.939 54.095 52.037 0.198 0.000 0.644 208 A CB -1.385 17.773 19.000 0.263 0.000 0.805 208 A HN 0.855 nan 8.150 nan 0.000 0.449 209 T N -0.128 114.492 114.554 0.110 0.000 2.848 209 T HA -0.180 4.160 4.350 -0.017 0.000 0.269 209 T C 1.523 176.230 174.700 0.012 0.000 1.081 209 T CA 2.036 64.173 62.100 0.061 0.000 1.125 209 T CB -0.127 68.776 68.868 0.059 0.000 0.848 209 T HN 0.530 nan 8.240 nan 0.000 0.503 210 K N -0.293 120.112 120.400 0.009 0.000 3.590 210 K HA 0.353 4.663 4.320 -0.017 0.000 0.170 210 K C 1.599 178.124 176.600 -0.125 0.000 1.138 210 K CA 0.157 56.369 56.287 -0.125 0.000 1.560 210 K CB -0.535 31.886 32.500 -0.132 0.000 2.149 210 K HN 0.058 nan 8.250 nan 0.000 0.487 211 Y N 1.144 121.462 120.300 0.031 0.000 2.337 211 Y HA 0.043 4.582 4.550 -0.017 0.000 0.293 211 Y C 1.907 177.840 175.900 0.054 0.000 1.123 211 Y CA 0.780 58.901 58.100 0.035 0.000 1.201 211 Y CB -0.285 38.199 38.460 0.039 0.000 1.011 211 Y HN 0.087 nan 8.280 nan 0.000 0.545 212 L N 0.026 121.367 121.223 0.197 0.000 1.989 212 L HA -0.302 4.027 4.340 -0.017 0.000 0.211 212 L C 2.423 179.361 176.870 0.113 0.000 1.071 212 L CA 1.930 56.841 54.840 0.119 0.000 0.749 212 L CB -0.640 41.471 42.059 0.087 0.000 0.890 212 L HN 0.397 nan 8.230 nan 0.000 0.431 213 N N -0.334 118.427 118.700 0.102 0.000 2.106 213 N HA -0.170 4.559 4.740 -0.017 0.000 0.188 213 N C 1.509 177.151 175.510 0.221 0.000 1.029 213 N CA 1.397 54.500 53.050 0.089 0.000 0.848 213 N CB 0.177 38.699 38.487 0.058 0.000 1.007 213 N HN 0.444 nan 8.380 nan 0.000 0.423 214 G N -0.287 108.601 108.800 0.146 0.000 2.212 214 G HA2 -0.251 3.698 3.960 -0.017 0.000 0.266 214 G HA3 -0.251 3.698 3.960 -0.017 0.000 0.266 214 G C 0.442 175.227 174.900 -0.193 0.000 0.978 214 G CA 0.699 45.823 45.100 0.040 0.000 0.632 214 G HN 0.653 nan 8.290 nan 0.000 0.537 215 H N -0.722 118.331 119.070 -0.029 0.000 2.885 215 H HA 0.327 4.872 4.556 -0.017 0.000 0.254 215 H C 1.621 176.925 175.328 -0.039 0.000 1.185 215 H CA 0.475 56.502 56.048 -0.035 0.000 1.029 215 H CB 0.666 30.403 29.762 -0.041 0.000 1.743 215 H HN 0.374 nan 8.280 nan 0.000 0.632 216 S N 1.017 116.734 115.700 0.029 0.000 2.967 216 S HA -0.246 4.213 4.470 -0.017 0.000 0.297 216 S C 1.219 175.832 174.600 0.021 0.000 1.312 216 S CA 1.822 60.024 58.200 0.003 0.000 1.163 216 S CB -0.723 62.462 63.200 -0.024 0.000 1.377 216 S HN 0.740 nan 8.310 nan 0.000 0.724 217 D N -0.131 120.295 120.400 0.042 0.000 2.350 217 D HA 0.348 4.978 4.640 -0.017 0.000 0.213 217 D C 0.489 176.799 176.300 0.018 0.000 1.031 217 D CA 0.431 54.445 54.000 0.024 0.000 0.861 217 D CB -0.108 40.704 40.800 0.019 0.000 0.926 217 D HN 0.707 nan 8.370 nan 0.000 0.520 218 M N -1.063 118.552 119.600 0.024 0.000 2.593 218 M HA 0.650 5.120 4.480 -0.017 0.000 0.290 218 M C -1.833 174.494 176.300 0.045 0.000 1.244 218 M CA -1.111 54.206 55.300 0.027 0.000 0.857 218 M CB 2.840 35.446 32.600 0.009 0.000 1.738 218 M HN -0.289 nan 8.290 nan 0.000 0.461 219 V N 1.780 121.731 119.914 0.062 0.000 2.444 219 V HA 0.999 5.109 4.120 -0.017 0.000 0.294 219 V C 0.061 176.225 176.094 0.116 0.000 1.022 219 V CA 0.197 62.547 62.300 0.083 0.000 0.850 219 V CB 1.128 32.997 31.823 0.078 0.000 0.992 219 V HN 1.184 nan 8.190 nan 0.000 0.426 220 G N 2.523 111.411 108.800 0.147 0.000 2.523 220 G HA2 0.696 4.646 3.960 -0.017 0.000 0.291 220 G HA3 0.696 4.646 3.960 -0.017 0.000 0.291 220 G C -0.818 174.227 174.900 0.241 0.000 1.450 220 G CA 0.052 45.276 45.100 0.206 0.000 0.790 220 G HN 1.019 nan 8.290 nan 0.000 0.496 221 G N -1.248 107.737 108.800 0.307 0.000 2.605 221 G HA2 0.870 4.820 3.960 -0.017 0.000 0.296 221 G HA3 0.870 4.820 3.960 -0.017 0.000 0.296 221 G C -1.124 174.004 174.900 0.380 0.000 1.304 221 G CA -0.215 45.086 45.100 0.335 0.000 0.941 221 G HN 1.636 nan 8.290 nan 0.000 0.475 222 I N -2.088 118.697 120.570 0.358 0.000 2.865 222 I HA 0.931 5.091 4.170 -0.017 0.000 0.302 222 I C -0.357 175.990 176.117 0.383 0.000 1.140 222 I CA -1.469 60.009 61.300 0.297 0.000 1.021 222 I CB 2.318 40.355 38.000 0.062 0.000 1.233 222 I HN 0.841 nan 8.210 nan 0.000 0.427 223 A N 4.397 127.470 122.820 0.421 0.000 2.343 223 A HA 0.854 5.164 4.320 -0.017 0.000 0.316 223 A C -1.086 176.721 177.584 0.371 0.000 1.104 223 A CA -0.686 51.575 52.037 0.373 0.000 0.768 223 A CB 1.483 20.729 19.000 0.410 0.000 1.213 223 A HN 0.756 nan 8.150 nan 0.000 0.456 224 V N 2.460 122.523 119.914 0.248 0.000 2.459 224 V HA 0.617 4.726 4.120 -0.017 0.000 0.295 224 V C 0.145 176.346 176.094 0.179 0.000 1.029 224 V CA -0.680 61.737 62.300 0.194 0.000 0.874 224 V CB 1.220 33.112 31.823 0.115 0.000 0.985 224 V HN 0.898 nan 8.190 nan 0.000 0.438 225 V N 4.181 124.221 119.914 0.210 0.000 2.630 225 V HA 0.916 5.025 4.120 -0.017 0.000 0.305 225 V C 0.781 176.929 176.094 0.089 0.000 1.046 225 V CA 0.493 62.883 62.300 0.149 0.000 0.934 225 V CB 1.672 33.611 31.823 0.194 0.000 1.003 225 V HN 0.936 nan 8.190 nan 0.000 0.451 226 G N 3.858 112.694 108.800 0.059 0.000 2.803 226 G HA2 0.245 4.194 3.960 -0.017 0.000 0.177 226 G HA3 0.245 4.194 3.960 -0.017 0.000 0.177 226 G C -0.304 174.618 174.900 0.036 0.000 1.629 226 G CA 0.263 45.385 45.100 0.037 0.000 1.077 226 G HN 0.967 nan 8.290 nan 0.000 0.556 227 D N -0.781 119.634 120.400 0.026 0.000 2.278 227 D HA 0.389 5.018 4.640 -0.017 0.000 0.245 227 D C -0.811 175.503 176.300 0.024 0.000 1.052 227 D CA -0.793 53.221 54.000 0.023 0.000 0.834 227 D CB 1.869 42.677 40.800 0.013 0.000 1.194 227 D HN 0.255 nan 8.370 nan 0.000 0.481 228 N N 1.073 119.789 118.700 0.028 0.000 4.143 228 N HA -0.022 4.708 4.740 -0.017 0.000 0.110 228 N C 0.009 175.542 175.510 0.038 0.000 1.071 228 N CA 0.298 53.366 53.050 0.031 0.000 2.216 228 N CB -0.334 38.175 38.487 0.036 0.000 1.546 228 N HN 0.448 nan 8.380 nan 0.000 0.783 229 A N 1.210 124.047 122.820 0.029 0.000 1.940 229 A HA -0.183 4.126 4.320 -0.017 0.000 0.219 229 A C 1.862 179.469 177.584 0.038 0.000 1.176 229 A CA 1.883 53.940 52.037 0.033 0.000 0.631 229 A CB -0.224 18.787 19.000 0.019 0.000 0.814 229 A HN 0.669 nan 8.150 nan 0.000 0.446 230 E N 0.131 120.347 120.200 0.027 0.000 2.085 230 E HA -0.218 4.122 4.350 -0.017 0.000 0.194 230 E C 1.873 178.494 176.600 0.034 0.000 0.994 230 E CA 1.408 57.821 56.400 0.021 0.000 0.801 230 E CB -0.894 28.812 29.700 0.009 0.000 0.743 230 E HN 0.479 nan 8.360 nan 0.000 0.453 231 L N 1.369 122.617 121.223 0.042 0.000 2.056 231 L HA 0.042 4.372 4.340 -0.017 0.000 0.207 231 L C 2.462 179.374 176.870 0.071 0.000 1.078 231 L CA 1.943 56.811 54.840 0.048 0.000 0.749 231 L CB -0.971 41.116 42.059 0.047 0.000 0.901 231 L HN 0.153 nan 8.230 nan 0.000 0.433 232 A N -0.931 121.958 122.820 0.114 0.000 1.877 232 A HA -0.217 4.092 4.320 -0.017 0.000 0.216 232 A C 2.192 179.901 177.584 0.207 0.000 1.186 232 A CA 1.681 53.848 52.037 0.217 0.000 0.620 232 A CB -0.659 18.456 19.000 0.192 0.000 0.822 232 A HN 0.449 nan 8.150 nan 0.000 0.443 233 E N -0.186 120.093 120.200 0.130 0.000 2.085 233 E HA -0.208 4.132 4.350 -0.017 0.000 0.194 233 E C 2.201 178.881 176.600 0.134 0.000 0.994 233 E CA 1.651 58.123 56.400 0.121 0.000 0.801 233 E CB -0.318 29.418 29.700 0.060 0.000 0.743 233 E HN 0.738 nan 8.360 nan 0.000 0.453 234 Q N -0.997 118.854 119.800 0.085 0.000 2.002 234 Q HA -0.181 4.149 4.340 -0.017 0.000 0.204 234 Q C 2.071 178.117 176.000 0.078 0.000 0.988 234 Q CA 1.817 57.674 55.803 0.091 0.000 0.843 234 Q CB -0.149 28.617 28.738 0.047 0.000 0.908 234 Q HN 0.251 nan 8.270 nan 0.000 0.420 235 M N -0.140 119.412 119.600 -0.080 0.000 2.082 235 M HA -0.205 4.265 4.480 -0.017 0.000 0.258 235 M C 2.266 178.362 176.300 -0.340 0.000 1.069 235 M CA 1.863 56.927 55.300 -0.393 0.000 1.102 235 M CB -1.436 30.577 32.600 -0.978 0.000 1.336 235 M HN 0.329 nan 8.290 nan 0.000 0.404 236 A N -0.577 122.251 122.820 0.014 0.000 1.883 236 A HA -0.219 4.091 4.320 -0.017 0.000 0.217 236 A C 2.161 179.875 177.584 0.217 0.000 1.186 236 A CA 1.670 53.906 52.037 0.332 0.000 0.624 236 A CB -1.127 18.106 19.000 0.388 0.000 0.822 236 A HN 0.446 nan 8.150 nan 0.000 0.444 237 F N 0.510 120.501 119.950 0.069 0.000 2.102 237 F HA -0.118 4.399 4.527 -0.017 0.000 0.298 237 F C 1.963 177.799 175.800 0.060 0.000 1.105 237 F CA 1.631 59.667 58.000 0.061 0.000 1.239 237 F CB -0.310 38.714 39.000 0.040 0.000 0.991 237 F HN 0.142 nan 8.300 nan 0.000 0.474 238 L N 0.098 121.359 121.223 0.063 0.000 1.970 238 L HA -0.291 4.039 4.340 -0.017 0.000 0.212 238 L C 2.698 179.557 176.870 -0.019 0.000 1.071 238 L CA 2.085 56.916 54.840 -0.015 0.000 0.751 238 L CB -1.144 40.950 42.059 0.058 0.000 0.889 238 L HN 0.287 nan 8.230 nan 0.000 0.432 239 Q N 0.594 120.449 119.800 0.092 0.000 2.096 239 Q HA -0.316 4.014 4.340 -0.017 0.000 0.208 239 Q C 1.890 177.970 176.000 0.133 0.000 0.993 239 Q CA 2.543 58.501 55.803 0.259 0.000 0.862 239 Q CB -0.219 28.715 28.738 0.326 0.000 0.915 239 Q HN 0.414 nan 8.270 nan 0.000 0.416 240 N N -0.768 117.957 118.700 0.042 0.000 2.364 240 N HA -0.074 4.656 4.740 -0.017 0.000 0.183 240 N C 1.215 176.667 175.510 -0.098 0.000 1.022 240 N CA 1.529 54.575 53.050 -0.006 0.000 0.883 240 N CB 0.086 38.571 38.487 -0.004 0.000 0.965 240 N HN 0.180 nan 8.380 nan 0.000 0.438 241 S N -0.688 114.881 115.700 -0.217 0.000 2.475 241 S HA 0.078 4.538 4.470 -0.017 0.000 0.224 241 S C 1.714 176.256 174.600 -0.096 0.000 1.042 241 S CA 0.329 58.388 58.200 -0.235 0.000 0.935 241 S CB -0.022 62.889 63.200 -0.483 0.000 0.801 241 S HN 0.491 nan 8.310 nan 0.000 0.509 242 I N 0.493 121.033 120.570 -0.051 0.000 2.353 242 I HA 0.323 4.483 4.170 -0.017 0.000 0.248 242 I C 1.673 177.813 176.117 0.038 0.000 1.119 242 I CA 1.095 62.396 61.300 0.002 0.000 1.417 242 I CB -1.213 36.794 38.000 0.012 0.000 1.078 242 I HN 0.291 nan 8.210 nan 0.000 0.421 243 G N 0.312 109.153 108.800 0.069 0.000 2.148 243 G HA2 -0.211 3.739 3.960 -0.017 0.000 0.254 243 G HA3 -0.211 3.739 3.960 -0.017 0.000 0.254 243 G C 0.944 175.929 174.900 0.141 0.000 0.981 243 G CA 0.065 45.221 45.100 0.094 0.000 0.670 243 G HN 0.991 nan 8.290 nan 0.000 0.528 244 G N -0.138 108.778 108.800 0.193 0.000 3.397 244 G HA2 0.427 4.376 3.960 -0.017 0.000 0.248 244 G HA3 0.427 4.376 3.960 -0.017 0.000 0.248 244 G C 0.567 175.691 174.900 0.373 0.000 1.284 244 G CA 0.416 45.658 45.100 0.237 0.000 1.570 244 G HN 0.783 nan 8.290 nan 0.000 0.587 245 V N 0.237 120.307 119.914 0.261 0.000 2.715 245 V HA 0.104 4.214 4.120 -0.017 0.000 0.299 245 V C 0.684 176.875 176.094 0.162 0.000 1.054 245 V CA -0.425 61.987 62.300 0.188 0.000 1.077 245 V CB 1.554 33.449 31.823 0.121 0.000 0.972 245 V HN 0.602 nan 8.190 nan 0.000 0.484 246 Q N 2.997 122.879 119.800 0.136 0.000 2.352 246 Q HA 0.424 4.754 4.340 -0.017 0.000 0.260 246 Q C 0.310 176.379 176.000 0.116 0.000 0.976 246 Q CA 0.594 56.487 55.803 0.150 0.000 0.881 246 Q CB 1.106 29.957 28.738 0.190 0.000 1.235 246 Q HN 0.898 nan 8.270 nan 0.000 0.419 247 G N 3.474 112.347 108.800 0.123 0.000 2.528 247 G HA2 0.302 4.252 3.960 -0.017 0.000 0.289 247 G HA3 0.302 4.252 3.960 -0.017 0.000 0.289 247 G C -1.895 173.056 174.900 0.085 0.000 1.192 247 G CA -1.260 43.905 45.100 0.108 0.000 0.921 247 G HN 0.658 nan 8.290 nan 0.000 0.512 248 P HA -0.122 nan 4.420 nan 0.000 0.215 248 P C 1.529 178.785 177.300 -0.073 0.000 1.157 248 P CA 1.259 64.296 63.100 -0.105 0.000 0.868 248 P CB 0.008 31.534 31.700 -0.291 0.000 0.788 249 F N 0.275 120.252 119.950 0.045 0.000 2.134 249 F HA -0.141 4.376 4.527 -0.017 0.000 0.299 249 F C 2.140 177.992 175.800 0.087 0.000 1.097 249 F CA 1.441 59.490 58.000 0.081 0.000 1.264 249 F CB -1.145 37.881 39.000 0.043 0.000 1.001 249 F HN -0.051 nan 8.300 nan 0.000 0.479 250 D N -0.451 120.098 120.400 0.249 0.000 2.144 250 D HA -0.115 4.514 4.640 -0.017 0.000 0.200 250 D C 2.273 178.562 176.300 -0.018 0.000 0.978 250 D CA 1.417 55.482 54.000 0.109 0.000 0.833 250 D CB -0.290 40.574 40.800 0.107 0.000 0.961 250 D HN 0.212 nan 8.370 nan 0.000 0.470 251 S N 0.677 116.387 115.700 0.016 0.000 2.368 251 S HA -0.155 4.304 4.470 -0.017 0.000 0.225 251 S C 1.635 176.140 174.600 -0.159 0.000 1.030 251 S CA 0.563 58.710 58.200 -0.088 0.000 0.999 251 S CB -0.353 62.917 63.200 0.116 0.000 0.844 251 S HN 0.263 nan 8.310 nan 0.000 0.459 252 F N 1.789 121.659 119.950 -0.133 0.000 2.234 252 F HA -0.012 4.505 4.527 -0.017 0.000 0.299 252 F C 1.557 177.273 175.800 -0.140 0.000 1.087 252 F CA 0.833 58.761 58.000 -0.120 0.000 1.340 252 F CB -0.184 38.764 39.000 -0.086 0.000 1.031 252 F HN 0.083 nan 8.300 nan 0.000 0.500 253 L N 0.173 121.258 121.223 -0.230 0.000 2.109 253 L HA 0.035 4.364 4.340 -0.017 0.000 0.207 253 L C 2.688 179.323 176.870 -0.391 0.000 1.086 253 L CA 1.629 56.269 54.840 -0.334 0.000 0.760 253 L CB -1.993 39.987 42.059 -0.132 0.000 0.910 253 L HN 0.220 nan 8.230 nan 0.000 0.437 254 A N -0.798 121.752 122.820 -0.449 0.000 1.898 254 A HA -0.163 4.146 4.320 -0.017 0.000 0.216 254 A C 2.225 179.487 177.584 -0.536 0.000 1.181 254 A CA 1.329 53.038 52.037 -0.546 0.000 0.620 254 A CB -0.771 17.712 19.000 -0.861 0.000 0.819 254 A HN 0.308 nan 8.150 nan 0.000 0.442 255 L N 0.211 121.056 121.223 -0.630 0.000 2.042 255 L HA -0.171 4.158 4.340 -0.017 0.000 0.210 255 L C 2.422 179.130 176.870 -0.270 0.000 1.076 255 L CA 2.426 57.104 54.840 -0.269 0.000 0.749 255 L CB -0.754 41.218 42.059 -0.146 0.000 0.893 255 L HN 0.495 nan 8.230 nan 0.000 0.432 256 R N -0.815 119.415 120.500 -0.451 0.000 2.073 256 R HA -0.136 4.194 4.340 -0.017 0.000 0.234 256 R C 2.185 178.321 176.300 -0.274 0.000 1.134 256 R CA 1.460 57.303 56.100 -0.428 0.000 0.952 256 R CB -0.826 29.088 30.300 -0.643 0.000 0.850 256 R HN 0.538 nan 8.270 nan 0.000 0.433 257 G N 1.340 109.985 108.800 -0.259 0.000 2.440 257 G HA2 -0.270 3.680 3.960 -0.017 0.000 0.218 257 G HA3 -0.270 3.680 3.960 -0.017 0.000 0.218 257 G C 1.315 176.204 174.900 -0.019 0.000 1.154 257 G CA 0.550 45.587 45.100 -0.104 0.000 0.767 257 G HN 0.252 nan 8.290 nan 0.000 0.552 258 L N 0.580 121.781 121.223 -0.037 0.000 2.129 258 L HA -0.078 4.251 4.340 -0.017 0.000 0.212 258 L C 2.733 179.599 176.870 -0.008 0.000 1.087 258 L CA 1.736 56.581 54.840 0.009 0.000 0.757 258 L CB -0.394 41.686 42.059 0.035 0.000 0.896 258 L HN 0.195 nan 8.230 nan 0.000 0.434 259 K N -1.458 118.915 120.400 -0.044 0.000 2.211 259 K HA -0.119 4.191 4.320 -0.017 0.000 0.204 259 K C 1.489 178.075 176.600 -0.024 0.000 1.047 259 K CA 1.696 57.952 56.287 -0.051 0.000 0.935 259 K CB -0.186 32.265 32.500 -0.082 0.000 0.728 259 K HN 0.553 nan 8.250 nan 0.000 0.452 260 T N -1.581 112.975 114.554 0.003 0.000 3.054 260 T HA 0.099 4.439 4.350 -0.017 0.000 0.255 260 T C 1.430 176.145 174.700 0.024 0.000 1.035 260 T CA -0.312 61.797 62.100 0.017 0.000 0.941 260 T CB 0.125 69.022 68.868 0.047 0.000 1.026 260 T HN -0.001 nan 8.240 nan 0.000 0.533 261 L N 2.415 123.657 121.223 0.032 0.000 2.042 261 L HA 0.115 4.444 4.340 -0.017 0.000 0.210 261 L C -1.004 175.881 176.870 0.026 0.000 1.076 261 L CA 1.942 56.811 54.840 0.048 0.000 0.749 261 L CB -1.149 40.940 42.059 0.050 0.000 0.893 261 L HN 0.087 nan 8.230 nan 0.000 0.432 262 P HA -0.160 nan 4.420 nan 0.000 0.216 262 P C 2.085 179.376 177.300 -0.016 0.000 1.153 262 P CA 1.557 64.655 63.100 -0.005 0.000 0.848 262 P CB -0.044 31.654 31.700 -0.004 0.000 0.787 263 L N -1.349 119.862 121.223 -0.020 0.000 2.156 263 L HA -0.065 4.265 4.340 -0.017 0.000 0.208 263 L C 2.582 179.409 176.870 -0.071 0.000 1.095 263 L CA 1.222 56.039 54.840 -0.038 0.000 0.770 263 L CB -0.511 41.528 42.059 -0.034 0.000 0.914 263 L HN -0.073 nan 8.230 nan 0.000 0.439 264 R N -0.748 119.713 120.500 -0.065 0.000 2.073 264 R HA -0.070 4.260 4.340 -0.017 0.000 0.229 264 R C 2.260 178.466 176.300 -0.156 0.000 1.120 264 R CA 1.029 57.040 56.100 -0.148 0.000 0.967 264 R CB -0.114 30.152 30.300 -0.057 0.000 0.862 264 R HN 0.231 nan 8.270 nan 0.000 0.436 265 M N 0.030 119.626 119.600 -0.006 0.000 2.200 265 M HA -0.062 4.407 4.480 -0.017 0.000 0.265 265 M C 2.141 178.442 176.300 0.003 0.000 1.066 265 M CA 1.361 56.685 55.300 0.039 0.000 1.127 265 M CB -0.834 31.761 32.600 -0.007 0.000 1.379 265 M HN 0.019 nan 8.290 nan 0.000 0.420 266 R N 0.543 121.025 120.500 -0.030 0.000 2.096 266 R HA -0.152 4.177 4.340 -0.017 0.000 0.240 266 R C 2.141 178.423 176.300 -0.030 0.000 1.139 266 R CA 2.148 58.230 56.100 -0.030 0.000 0.952 266 R CB -0.298 29.980 30.300 -0.036 0.000 0.854 266 R HN 0.317 nan 8.270 nan 0.000 0.436 267 A N 0.288 123.059 122.820 -0.082 0.000 1.855 267 A HA -0.171 4.139 4.320 -0.017 0.000 0.215 267 A C 1.930 179.487 177.584 -0.046 0.000 1.191 267 A CA 1.579 53.554 52.037 -0.103 0.000 0.613 267 A CB -0.955 17.929 19.000 -0.193 0.000 0.829 267 A HN 0.486 nan 8.150 nan 0.000 0.442 268 H N -0.029 119.052 119.070 0.019 0.000 2.267 268 H HA -0.222 4.323 4.556 -0.017 0.000 0.291 268 H C 2.504 177.869 175.328 0.060 0.000 1.094 268 H CA 1.741 57.819 56.048 0.049 0.000 1.227 268 H CB -1.135 28.675 29.762 0.080 0.000 1.351 268 H HN 0.554 nan 8.280 nan 0.000 0.483 269 C N 0.803 120.211 119.300 0.181 0.000 2.388 269 C HA -0.151 4.298 4.460 -0.017 0.000 0.277 269 C C 2.759 177.826 174.990 0.129 0.000 1.210 269 C CA 1.150 60.268 59.018 0.167 0.000 1.743 269 C CB -0.948 26.844 27.740 0.087 0.000 2.047 269 C HN 0.616 nan 8.230 nan 0.000 0.458 270 E N 0.572 120.813 120.200 0.070 0.000 2.097 270 E HA -0.212 4.128 4.350 -0.017 0.000 0.196 270 E C 1.855 178.478 176.600 0.038 0.000 1.000 270 E CA 1.507 57.935 56.400 0.048 0.000 0.804 270 E CB -0.327 29.383 29.700 0.017 0.000 0.740 270 E HN 0.679 nan 8.360 nan 0.000 0.454 271 N N -0.140 118.582 118.700 0.038 0.000 2.142 271 N HA -0.119 4.610 4.740 -0.017 0.000 0.186 271 N C 1.876 177.399 175.510 0.021 0.000 1.023 271 N CA 0.587 53.656 53.050 0.031 0.000 0.852 271 N CB -0.071 38.442 38.487 0.044 0.000 0.998 271 N HN 0.090 nan 8.380 nan 0.000 0.424 272 A N 1.692 124.524 122.820 0.021 0.000 1.841 272 A HA -0.175 4.135 4.320 -0.017 0.000 0.216 272 A C 2.150 179.516 177.584 -0.363 0.000 1.199 272 A CA 1.203 53.164 52.037 -0.127 0.000 0.621 272 A CB -1.030 17.956 19.000 -0.023 0.000 0.835 272 A HN 0.242 nan 8.150 nan 0.000 0.445 273 L N -0.220 120.845 121.223 -0.264 0.000 2.013 273 L HA -0.167 4.162 4.340 -0.017 0.000 0.212 273 L C 2.743 179.578 176.870 -0.058 0.000 1.073 273 L CA 2.502 57.246 54.840 -0.160 0.000 0.753 273 L CB -0.906 41.247 42.059 0.156 0.000 0.890 273 L HN 0.401 nan 8.230 nan 0.000 0.432 274 A N -0.895 121.922 122.820 -0.005 0.000 1.902 274 A HA -0.173 4.136 4.320 -0.017 0.000 0.217 274 A C 2.266 179.891 177.584 0.069 0.000 1.181 274 A CA 2.021 54.076 52.037 0.029 0.000 0.623 274 A CB -0.857 18.149 19.000 0.009 0.000 0.818 274 A HN 0.511 nan 8.150 nan 0.000 0.443 275 L N -1.108 120.151 121.223 0.060 0.000 2.217 275 L HA -0.083 4.247 4.340 -0.017 0.000 0.211 275 L C 3.001 179.991 176.870 0.199 0.000 1.107 275 L CA 0.675 55.644 54.840 0.214 0.000 0.783 275 L CB -0.426 41.734 42.059 0.168 0.000 0.919 275 L HN 0.443 nan 8.230 nan 0.000 0.442 276 A N -0.155 122.645 122.820 -0.034 0.000 1.873 276 A HA -0.232 4.078 4.320 -0.017 0.000 0.215 276 A C 2.213 179.796 177.584 -0.001 0.000 1.186 276 A CA 1.384 53.359 52.037 -0.103 0.000 0.616 276 A CB -0.395 18.387 19.000 -0.363 0.000 0.823 276 A HN 0.414 nan 8.150 nan 0.000 0.442 277 Q N -0.999 118.828 119.800 0.044 0.000 2.084 277 Q HA -0.188 4.141 4.340 -0.017 0.000 0.202 277 Q C 2.044 178.118 176.000 0.125 0.000 0.978 277 Q CA 1.726 57.575 55.803 0.076 0.000 0.844 277 Q CB -0.340 28.451 28.738 0.089 0.000 0.898 277 Q HN 1.015 nan 8.270 nan 0.000 0.426 278 W N 1.115 122.410 121.300 -0.009 0.000 2.418 278 W HA -0.085 4.565 4.660 -0.017 0.000 0.292 278 W C 1.094 177.632 176.519 0.031 0.000 1.213 278 W CA 0.694 58.049 57.345 0.016 0.000 1.283 278 W CB -0.588 28.886 29.460 0.023 0.000 1.119 278 W HN 0.102 nan 8.180 nan 0.000 0.542 279 L N 1.169 122.051 121.223 -0.567 0.000 2.201 279 L HA -0.182 4.148 4.340 -0.017 0.000 0.212 279 L C 2.719 179.393 176.870 -0.327 0.000 1.105 279 L CA 1.979 56.420 54.840 -0.665 0.000 0.775 279 L CB -0.875 40.945 42.059 -0.399 0.000 0.913 279 L HN 0.044 nan 8.230 nan 0.000 0.440 280 E N 0.312 120.405 120.200 -0.179 0.000 2.110 280 E HA -0.211 4.128 4.350 -0.017 0.000 0.193 280 E C 1.448 177.984 176.600 -0.107 0.000 0.988 280 E CA 1.597 57.931 56.400 -0.111 0.000 0.804 280 E CB 0.134 29.802 29.700 -0.054 0.000 0.745 280 E HN 0.419 nan 8.360 nan 0.000 0.458 281 T N -1.849 112.639 114.554 -0.110 0.000 3.284 281 T HA 0.121 4.461 4.350 -0.017 0.000 0.249 281 T C -0.426 174.180 174.700 -0.157 0.000 0.944 281 T CA -0.537 61.505 62.100 -0.097 0.000 0.919 281 T CB -0.326 68.517 68.868 -0.042 0.000 1.089 281 T HN 0.164 nan 8.240 nan 0.000 0.576 282 H N 1.892 120.768 119.070 -0.322 0.000 2.504 282 H HA 0.388 4.933 4.556 -0.018 0.000 0.322 282 H C -1.555 173.622 175.328 -0.251 0.000 1.055 282 H CA -2.050 53.763 56.048 -0.391 0.000 1.231 282 H CB 1.782 31.154 29.762 -0.651 0.000 1.417 282 H HN -0.102 nan 8.280 nan 0.000 0.472 283 P HA -0.225 nan 4.420 nan 0.000 0.219 283 P C 0.562 177.793 177.300 -0.114 0.000 1.144 283 P CA 1.573 64.515 63.100 -0.264 0.000 0.806 283 P CB 0.216 31.727 31.700 -0.314 0.000 0.771 284 A N -1.094 121.760 122.820 0.057 0.000 2.348 284 A HA 0.285 4.594 4.320 -0.017 0.000 0.224 284 A C 0.980 178.555 177.584 -0.014 0.000 1.227 284 A CA -0.086 52.001 52.037 0.084 0.000 0.885 284 A CB -0.596 18.500 19.000 0.161 0.000 0.933 284 A HN 0.316 nan 8.150 nan 0.000 0.506 285 I N -3.590 116.957 120.570 -0.039 0.000 2.509 285 I HA 0.722 4.882 4.170 -0.017 0.000 0.293 285 I C 0.505 176.553 176.117 -0.115 0.000 1.020 285 I CA -0.626 60.591 61.300 -0.138 0.000 1.088 285 I CB 2.077 39.936 38.000 -0.236 0.000 1.267 285 I HN 0.048 nan 8.210 nan 0.000 0.430 286 E N 5.581 125.711 120.200 -0.117 0.000 2.021 286 E HA 0.063 4.402 4.350 -0.017 0.000 0.189 286 E C 0.049 176.595 176.600 -0.090 0.000 0.980 286 E CA 1.546 57.891 56.400 -0.092 0.000 0.803 286 E CB 0.160 29.810 29.700 -0.083 0.000 0.766 286 E HN 0.744 nan 8.360 nan 0.000 0.449 287 K N -1.051 119.288 120.400 -0.101 0.000 2.512 287 K HA 0.563 4.872 4.320 -0.017 0.000 0.263 287 K C -1.487 175.057 176.600 -0.093 0.000 0.966 287 K CA -1.009 55.225 56.287 -0.087 0.000 0.851 287 K CB 2.296 34.752 32.500 -0.073 0.000 1.395 287 K HN -0.083 nan 8.250 nan 0.000 0.440 288 V N 3.165 123.039 119.914 -0.066 0.000 2.409 288 V HA 0.391 4.500 4.120 -0.017 0.000 0.291 288 V C -0.439 175.666 176.094 0.020 0.000 1.020 288 V CA -0.768 61.509 62.300 -0.038 0.000 0.848 288 V CB 1.266 33.064 31.823 -0.041 0.000 0.990 288 V HN 0.656 nan 8.190 nan 0.000 0.430 289 I N 5.904 126.506 120.570 0.053 0.000 2.306 289 I HA 0.454 4.613 4.170 -0.017 0.000 0.288 289 I C -1.092 175.182 176.117 0.261 0.000 1.036 289 I CA -0.484 60.892 61.300 0.126 0.000 1.221 289 I CB 0.626 38.668 38.000 0.070 0.000 1.385 289 I HN 0.601 nan 8.210 nan 0.000 0.472 290 Y N 8.868 129.252 120.300 0.139 0.000 2.358 290 Y HA 0.361 4.901 4.550 -0.018 0.000 0.324 290 Y C -2.423 173.384 175.900 -0.154 0.000 1.123 290 Y CA -1.986 56.133 58.100 0.031 0.000 1.067 290 Y CB 2.375 40.836 38.460 0.002 0.000 1.230 290 Y HN 0.305 nan 8.280 nan 0.000 0.429 291 P HA 0.062 nan 4.420 nan 0.000 0.239 291 P C 1.067 177.639 177.300 -1.214 0.000 1.184 291 P CA 1.495 63.882 63.100 -1.189 0.000 0.760 291 P CB 0.311 31.474 31.700 -0.896 0.000 0.884 292 G N -0.835 107.259 108.800 -1.177 0.000 2.539 292 G HA2 0.046 3.995 3.960 -0.017 0.000 0.215 292 G HA3 0.046 3.995 3.960 -0.017 0.000 0.215 292 G C 0.445 174.927 174.900 -0.696 0.000 1.141 292 G CA -0.052 44.389 45.100 -1.098 0.000 0.806 292 G HN 0.200 nan 8.290 nan 0.000 0.533 293 L N 0.582 121.584 121.223 -0.367 0.000 2.452 293 L HA 0.385 4.715 4.340 -0.017 0.000 0.267 293 L C 2.037 178.550 176.870 -0.595 0.000 1.188 293 L CA -0.306 54.348 54.840 -0.311 0.000 0.821 293 L CB 1.051 43.069 42.059 -0.068 0.000 1.102 293 L HN 0.098 nan 8.230 nan 0.000 0.470 294 A N 1.473 124.078 122.820 -0.359 0.000 1.933 294 A HA -0.191 4.118 4.320 -0.017 0.000 0.218 294 A C 2.328 179.889 177.584 -0.037 0.000 1.175 294 A CA 1.789 53.753 52.037 -0.122 0.000 0.628 294 A CB -0.826 18.195 19.000 0.035 0.000 0.814 294 A HN 0.934 nan 8.150 nan 0.000 0.444 295 S N -0.528 115.145 115.700 -0.046 0.000 2.461 295 S HA -0.247 4.212 4.470 -0.017 0.000 0.246 295 S C 0.778 175.377 174.600 -0.002 0.000 1.007 295 S CA 1.264 59.452 58.200 -0.020 0.000 0.976 295 S CB -0.841 62.344 63.200 -0.025 0.000 0.763 295 S HN 0.764 nan 8.310 nan 0.000 0.508 296 H N 2.902 121.909 119.070 -0.104 0.000 2.723 296 H HA 0.321 4.866 4.556 -0.017 0.000 0.294 296 H C -1.432 173.876 175.328 -0.034 0.000 1.079 296 H CA -1.729 54.270 56.048 -0.083 0.000 1.411 296 H CB 1.006 30.681 29.762 -0.145 0.000 1.439 296 H HN -0.053 nan 8.280 nan 0.000 0.474 297 P HA -0.286 nan 4.420 nan 0.000 0.226 297 P C -0.111 177.234 177.300 0.074 0.000 1.154 297 P CA 1.700 64.736 63.100 -0.107 0.000 0.901 297 P CB 0.200 31.775 31.700 -0.209 0.000 0.788 298 Q N -3.196 116.791 119.800 0.312 0.000 2.233 298 Q HA 0.094 4.424 4.340 -0.017 0.000 0.340 298 Q C 1.131 177.253 176.000 0.203 0.000 0.899 298 Q CA -0.297 55.654 55.803 0.247 0.000 1.139 298 Q CB 0.054 28.917 28.738 0.209 0.000 1.273 298 Q HN 0.232 nan 8.270 nan 0.000 0.431 299 H N 0.794 119.893 119.070 0.049 0.000 2.290 299 H HA -0.127 4.419 4.556 -0.017 0.000 0.298 299 H C 1.676 176.959 175.328 -0.075 0.000 1.087 299 H CA 1.954 57.932 56.048 -0.117 0.000 1.291 299 H CB -0.014 29.691 29.762 -0.096 0.000 1.369 299 H HN 0.177 nan 8.280 nan 0.000 0.492 300 V N 0.531 120.394 119.914 -0.086 0.000 2.324 300 V HA -0.242 3.868 4.120 -0.017 0.000 0.250 300 V C 2.745 178.803 176.094 -0.061 0.000 1.060 300 V CA 1.728 63.949 62.300 -0.131 0.000 1.042 300 V CB -0.808 30.978 31.823 -0.061 0.000 0.650 300 V HN 0.339 nan 8.190 nan 0.000 0.450 301 L N 0.542 121.759 121.223 -0.010 0.000 2.017 301 L HA -0.063 4.267 4.340 -0.017 0.000 0.208 301 L C 2.483 179.365 176.870 0.019 0.000 1.073 301 L CA 2.267 57.112 54.840 0.009 0.000 0.745 301 L CB -1.267 40.807 42.059 0.025 0.000 0.894 301 L HN 0.247 nan 8.230 nan 0.000 0.432 302 A N -0.058 122.773 122.820 0.019 0.000 1.870 302 A HA -0.344 3.965 4.320 -0.017 0.000 0.219 302 A C 2.258 179.970 177.584 0.212 0.000 1.286 302 A CA 2.701 54.792 52.037 0.090 0.000 0.682 302 A CB -0.893 18.088 19.000 -0.031 0.000 0.844 302 A HN 0.479 nan 8.150 nan 0.000 0.460 303 K N -0.869 119.645 120.400 0.190 0.000 2.107 303 K HA -0.238 4.071 4.320 -0.017 0.000 0.211 303 K C 2.243 178.885 176.600 0.070 0.000 1.049 303 K CA 1.917 58.307 56.287 0.171 0.000 0.927 303 K CB -0.391 32.108 32.500 -0.003 0.000 0.714 303 K HN 0.615 nan 8.250 nan 0.000 0.452 304 R N 0.988 121.507 120.500 0.031 0.000 2.057 304 R HA -0.115 4.214 4.340 -0.017 0.000 0.229 304 R C 2.374 178.685 176.300 0.017 0.000 1.136 304 R CA 1.534 57.642 56.100 0.014 0.000 0.952 304 R CB -0.012 30.291 30.300 0.004 0.000 0.848 304 R HN 0.242 nan 8.270 nan 0.000 0.430 305 Q N -0.714 119.102 119.800 0.026 0.000 2.302 305 Q HA 0.107 4.437 4.340 -0.017 0.000 0.202 305 Q C -0.085 175.924 176.000 0.016 0.000 0.936 305 Q CA 0.493 56.306 55.803 0.017 0.000 0.886 305 Q CB 0.473 29.221 28.738 0.016 0.000 0.986 305 Q HN 0.208 nan 8.270 nan 0.000 0.487 306 M N -0.894 118.725 119.600 0.032 0.000 2.602 306 M HA 0.270 4.740 4.480 -0.017 0.000 0.312 306 M C 0.448 176.712 176.300 -0.060 0.000 1.181 306 M CA -0.511 54.791 55.300 0.003 0.000 0.910 306 M CB 2.309 34.933 32.600 0.040 0.000 1.723 306 M HN -0.094 nan 8.290 nan 0.000 0.459 307 S N -0.114 115.525 115.700 -0.100 0.000 2.446 307 S HA 0.231 4.691 4.470 -0.017 0.000 0.225 307 S C 0.683 175.104 174.600 -0.298 0.000 1.016 307 S CA 0.301 58.410 58.200 -0.152 0.000 0.943 307 S CB 0.065 63.204 63.200 -0.101 0.000 0.786 307 S HN 0.887 nan 8.310 nan 0.000 0.508 308 G N -0.264 108.336 108.800 -0.333 0.000 2.708 308 G HA2 0.575 4.524 3.960 -0.017 0.000 0.289 308 G HA3 0.575 4.524 3.960 -0.017 0.000 0.289 308 G C -0.904 173.771 174.900 -0.375 0.000 1.416 308 G CA -0.705 44.106 45.100 -0.481 0.000 0.829 308 G HN 0.100 nan 8.290 nan 0.000 0.480 309 F N 0.838 120.785 119.950 -0.005 0.000 2.653 309 F HA 0.505 5.022 4.527 -0.017 0.000 0.304 309 F C 1.480 177.194 175.800 -0.143 0.000 1.092 309 F CA -0.304 57.600 58.000 -0.160 0.000 1.279 309 F CB 0.210 39.023 39.000 -0.312 0.000 1.044 309 F HN 1.048 nan 8.300 nan 0.000 0.564 310 G N 0.199 109.076 108.800 0.128 0.000 2.757 310 G HA2 0.038 3.988 3.960 -0.017 0.000 0.638 310 G HA3 0.038 3.988 3.960 -0.017 0.000 0.638 310 G C 0.749 175.782 174.900 0.223 0.000 1.344 310 G CA -0.525 44.624 45.100 0.082 0.000 0.855 310 G HN 0.538 nan 8.290 nan 0.000 0.537 311 G N -1.001 107.873 108.800 0.122 0.000 3.126 311 G HA2 0.504 4.453 3.960 -0.017 0.000 0.224 311 G HA3 0.504 4.453 3.960 -0.017 0.000 0.224 311 G C 0.580 175.594 174.900 0.189 0.000 1.142 311 G CA 0.223 45.428 45.100 0.175 0.000 0.759 311 G HN 0.762 nan 8.290 nan 0.000 0.550 312 I N 1.429 122.135 120.570 0.227 0.000 2.359 312 I HA 0.363 4.522 4.170 -0.017 0.000 0.294 312 I C -0.740 175.568 176.117 0.318 0.000 0.987 312 I CA -0.834 60.581 61.300 0.192 0.000 1.225 312 I CB 2.236 40.292 38.000 0.095 0.000 1.366 312 I HN -0.297 nan 8.210 nan 0.000 0.466 313 V N 5.009 125.051 119.914 0.213 0.000 2.443 313 V HA 0.316 4.426 4.120 -0.017 0.000 0.293 313 V C -0.108 176.051 176.094 0.107 0.000 1.021 313 V CA -0.415 61.997 62.300 0.186 0.000 0.848 313 V CB 1.636 33.486 31.823 0.046 0.000 0.998 313 V HN 0.724 nan 8.190 nan 0.000 0.424 314 S N 5.714 121.476 115.700 0.104 0.000 2.451 314 S HA 0.771 5.231 4.470 -0.017 0.000 0.301 314 S C -0.236 174.345 174.600 -0.032 0.000 1.116 314 S CA -0.473 57.743 58.200 0.026 0.000 1.093 314 S CB 0.939 64.162 63.200 0.038 0.000 1.017 314 S HN 0.667 nan 8.310 nan 0.000 0.482 315 I N 0.197 120.700 120.570 -0.111 0.000 2.957 315 I HA 0.851 5.010 4.170 -0.017 0.000 0.310 315 I C -0.963 175.033 176.117 -0.201 0.000 1.063 315 I CA -1.147 60.052 61.300 -0.169 0.000 1.033 315 I CB 1.829 39.676 38.000 -0.256 0.000 1.230 315 I HN 0.329 nan 8.210 nan 0.000 0.447 316 V N 4.453 124.251 119.914 -0.194 0.000 2.525 316 V HA 0.469 4.579 4.120 -0.017 0.000 0.299 316 V C -0.602 175.376 176.094 -0.195 0.000 1.034 316 V CA -0.446 61.741 62.300 -0.189 0.000 0.863 316 V CB 1.810 33.554 31.823 -0.132 0.000 0.999 316 V HN 0.579 nan 8.190 nan 0.000 0.423 317 L N 6.263 127.355 121.223 -0.218 0.000 2.305 317 L HA 0.469 4.799 4.340 -0.017 0.000 0.281 317 L C 1.215 178.014 176.870 -0.118 0.000 1.085 317 L CA 0.085 54.804 54.840 -0.202 0.000 0.813 317 L CB 0.736 42.644 42.059 -0.252 0.000 1.157 317 L HN 0.538 nan 8.230 nan 0.000 0.436 318 K N 2.337 122.679 120.400 -0.097 0.000 2.809 318 K HA -0.001 4.308 4.320 -0.017 0.000 0.224 318 K C 0.889 177.466 176.600 -0.038 0.000 0.946 318 K CA 0.465 56.715 56.287 -0.061 0.000 1.059 318 K CB -0.322 32.145 32.500 -0.054 0.000 0.877 318 K HN 0.914 nan 8.250 nan 0.000 0.478 319 G N -0.362 108.418 108.800 -0.034 0.000 4.765 319 G HA2 0.279 4.229 3.960 -0.017 0.000 0.276 319 G HA3 0.279 4.229 3.960 -0.017 0.000 0.276 319 G C 0.358 175.274 174.900 0.027 0.000 0.986 319 G CA -0.054 45.045 45.100 -0.002 0.000 0.755 319 G HN 0.437 nan 8.290 nan 0.000 0.391 320 G N 0.204 109.017 108.800 0.021 0.000 2.726 320 G HA2 -0.213 3.736 3.960 -0.017 0.000 0.261 320 G HA3 -0.213 3.736 3.960 -0.017 0.000 0.261 320 G C 0.763 175.749 174.900 0.143 0.000 1.352 320 G CA 0.177 45.320 45.100 0.071 0.000 0.906 320 G HN 0.886 nan 8.290 nan 0.000 0.566 321 F N 0.627 120.606 119.950 0.048 0.000 2.106 321 F HA -0.213 4.314 4.527 -0.000 0.000 0.299 321 F C 2.220 178.085 175.800 0.107 0.000 1.082 321 F CA 3.037 61.104 58.000 0.111 0.000 1.244 321 F CB -0.218 38.825 39.000 0.071 0.000 0.997 321 F HN 0.511 nan 8.300 nan 0.000 0.486 322 D N 0.095 120.754 120.400 0.431 0.000 2.075 322 D HA -0.108 4.522 4.640 -0.017 0.000 0.196 322 D C 2.370 178.766 176.300 0.159 0.000 0.985 322 D CA 1.732 55.927 54.000 0.325 0.000 0.834 322 D CB -0.736 40.188 40.800 0.206 0.000 0.987 322 D HN 0.333 nan 8.370 nan 0.000 0.452 323 A N 0.698 123.580 122.820 0.102 0.000 2.070 323 A HA -0.024 4.286 4.320 -0.017 0.000 0.220 323 A C 2.151 179.758 177.584 0.038 0.000 1.159 323 A CA 2.020 54.093 52.037 0.061 0.000 0.656 323 A CB -0.474 18.544 19.000 0.030 0.000 0.800 323 A HN 0.262 nan 8.150 nan 0.000 0.453 324 A N 0.276 123.099 122.820 0.004 0.000 1.825 324 A HA -0.130 4.180 4.320 -0.017 0.000 0.214 324 A C 2.105 179.741 177.584 0.087 0.000 1.206 324 A CA 1.823 53.835 52.037 -0.041 0.000 0.609 324 A CB -0.641 18.270 19.000 -0.149 0.000 0.851 324 A HN 0.496 nan 8.150 nan 0.000 0.445 325 K N -0.487 119.925 120.400 0.019 0.000 2.097 325 K HA -0.281 4.029 4.320 -0.017 0.000 0.214 325 K C 2.305 178.951 176.600 0.077 0.000 1.052 325 K CA 2.041 58.327 56.287 -0.001 0.000 0.932 325 K CB -0.283 32.156 32.500 -0.102 0.000 0.716 325 K HN 0.413 nan 8.250 nan 0.000 0.455 326 R N -0.386 120.172 120.500 0.096 0.000 2.070 326 R HA -0.163 4.167 4.340 -0.017 0.000 0.233 326 R C 2.319 178.682 176.300 0.105 0.000 1.137 326 R CA 1.755 57.910 56.100 0.091 0.000 0.945 326 R CB -0.550 29.803 30.300 0.089 0.000 0.845 326 R HN 0.282 nan 8.270 nan 0.000 0.430 327 F N 1.315 121.250 119.950 -0.025 0.000 2.041 327 F HA -0.412 4.104 4.527 -0.018 0.000 0.296 327 F C 2.255 178.032 175.800 -0.039 0.000 1.147 327 F CA 2.130 60.101 58.000 -0.048 0.000 1.214 327 F CB -0.821 38.127 39.000 -0.086 0.000 0.947 327 F HN 0.108 nan 8.300 nan 0.000 0.511 328 C N 0.239 119.580 119.300 0.068 0.000 2.402 328 C HA -0.144 4.305 4.460 -0.017 0.000 0.301 328 C C 2.475 177.428 174.990 -0.061 0.000 1.455 328 C CA 1.282 60.278 59.018 -0.037 0.000 1.787 328 C CB -2.126 25.680 27.740 0.111 0.000 1.726 328 C HN 0.650 nan 8.230 nan 0.000 0.565 329 E N 0.142 120.313 120.200 -0.049 0.000 2.290 329 E HA 0.034 4.373 4.350 -0.017 0.000 0.197 329 E C 1.731 178.298 176.600 -0.054 0.000 0.948 329 E CA 0.301 56.683 56.400 -0.030 0.000 0.895 329 E CB 0.205 29.907 29.700 0.003 0.000 0.865 329 E HN 0.546 nan 8.360 nan 0.000 0.486 330 K N 0.675 121.021 120.400 -0.090 0.000 2.372 330 K HA 0.094 4.403 4.320 -0.017 0.000 0.200 330 K C -0.116 176.408 176.600 -0.127 0.000 1.022 330 K CA 0.133 56.372 56.287 -0.081 0.000 1.125 330 K CB 1.081 33.555 32.500 -0.043 0.000 0.855 330 K HN 0.082 nan 8.250 nan 0.000 0.524 331 T N -1.237 113.197 114.554 -0.200 0.000 2.910 331 T HA 0.197 4.537 4.350 -0.017 0.000 0.293 331 T C 0.771 175.440 174.700 -0.052 0.000 1.015 331 T CA -0.554 61.444 62.100 -0.170 0.000 1.094 331 T CB 1.727 70.435 68.868 -0.266 0.000 0.968 331 T HN 0.063 nan 8.240 nan 0.000 0.521 332 E N 0.953 121.151 120.200 -0.003 0.000 2.207 332 E HA 0.145 4.484 4.350 -0.017 0.000 0.197 332 E C 2.081 178.686 176.600 0.009 0.000 0.914 332 E CA 0.041 56.442 56.400 0.002 0.000 0.914 332 E CB -0.010 29.688 29.700 -0.003 0.000 0.893 332 E HN 0.521 nan 8.360 nan 0.000 0.479 333 L N 0.634 121.873 121.223 0.027 0.000 2.056 333 L HA -0.016 4.314 4.340 -0.017 0.000 0.207 333 L C 0.732 177.534 176.870 -0.113 0.000 1.078 333 L CA 0.660 55.469 54.840 -0.052 0.000 0.749 333 L CB -0.275 41.735 42.059 -0.081 0.000 0.901 333 L HN -0.010 nan 8.230 nan 0.000 0.433 334 F N 0.651 120.558 119.950 -0.071 0.000 2.502 334 F HA 0.056 4.573 4.527 -0.017 0.000 0.371 334 F C 0.782 176.536 175.800 -0.078 0.000 1.083 334 F CA 0.142 58.098 58.000 -0.073 0.000 1.174 334 F CB 0.184 39.125 39.000 -0.098 0.000 1.096 334 F HN -0.183 nan 8.300 nan 0.000 0.545 335 T N 5.376 119.963 114.554 0.056 0.000 2.799 335 T HA 0.258 4.597 4.350 -0.017 0.000 0.286 335 T C -0.328 174.397 174.700 0.041 0.000 0.973 335 T CA -0.589 61.525 62.100 0.022 0.000 1.035 335 T CB 1.000 69.859 68.868 -0.014 0.000 0.932 335 T HN 0.204 nan 8.240 nan 0.000 0.469 336 L N 4.009 125.248 121.223 0.027 0.000 2.500 336 L HA 0.522 4.851 4.340 -0.017 0.000 0.272 336 L C 0.151 177.037 176.870 0.028 0.000 1.149 336 L CA 0.373 55.231 54.840 0.030 0.000 0.897 336 L CB -1.284 40.785 42.059 0.018 0.000 1.178 336 L HN 0.912 nan 8.230 nan 0.000 0.473 337 A N 4.510 127.353 122.820 0.037 0.000 2.586 337 A HA 0.477 4.787 4.320 -0.017 0.000 0.291 337 A C 0.579 178.188 177.584 0.041 0.000 1.062 337 A CA -0.574 51.481 52.037 0.030 0.000 0.666 337 A CB 0.659 19.668 19.000 0.014 0.000 1.281 337 A HN 0.569 nan 8.150 nan 0.000 0.421 338 E N 0.594 120.819 120.200 0.041 0.000 2.001 338 E HA -0.051 4.289 4.350 -0.017 0.000 0.195 338 E C 1.237 177.870 176.600 0.055 0.000 1.002 338 E CA 1.449 57.884 56.400 0.058 0.000 0.819 338 E CB -0.321 29.413 29.700 0.057 0.000 0.769 338 E HN 0.557 nan 8.360 nan 0.000 0.454 339 S N -0.267 115.453 115.700 0.032 0.000 2.612 339 S HA 0.260 4.719 4.470 -0.017 0.000 0.253 339 S C 0.052 174.619 174.600 -0.055 0.000 1.346 339 S CA -0.331 57.873 58.200 0.006 0.000 0.976 339 S CB 0.179 63.374 63.200 -0.008 0.000 0.949 339 S HN 0.200 nan 8.310 nan 0.000 0.584 340 L N -2.645 118.495 121.223 -0.139 0.000 2.654 340 L HA 0.858 5.187 4.340 -0.017 0.000 0.257 340 L C 0.646 177.216 176.870 -0.500 0.000 1.093 340 L CA -0.267 54.407 54.840 -0.276 0.000 0.903 340 L CB 0.357 42.234 42.059 -0.303 0.000 1.520 340 L HN 0.789 nan 8.230 nan 0.000 0.402 341 G N -1.265 107.072 108.800 -0.771 0.000 2.153 341 G HA2 -0.024 3.926 3.960 -0.017 0.000 0.252 341 G HA3 -0.024 3.926 3.960 -0.017 0.000 0.252 341 G C 0.462 174.986 174.900 -0.627 0.000 0.994 341 G CA 0.358 44.640 45.100 -1.365 0.000 0.698 341 G HN 1.296 nan 8.290 nan 0.000 0.521 342 G N -1.632 106.954 108.800 -0.357 0.000 2.653 342 G HA2 0.477 4.426 3.960 -0.017 0.000 0.265 342 G HA3 0.477 4.426 3.960 -0.017 0.000 0.265 342 G C 1.114 175.956 174.900 -0.098 0.000 1.237 342 G CA 0.377 45.361 45.100 -0.195 0.000 0.946 342 G HN 0.790 nan 8.290 nan 0.000 0.522 343 V N -0.307 119.539 119.914 -0.114 0.000 3.174 343 V HA 0.119 4.229 4.120 -0.017 0.000 0.254 343 V C 1.252 177.307 176.094 -0.066 0.000 1.120 343 V CA 1.449 63.702 62.300 -0.078 0.000 1.114 343 V CB -0.417 31.236 31.823 -0.284 0.000 0.756 343 V HN 0.821 nan 8.190 nan 0.000 0.467 344 E N 0.056 120.195 120.200 -0.102 0.000 2.266 344 E HA 0.340 4.679 4.350 -0.017 0.000 0.277 344 E C -0.298 176.202 176.600 -0.166 0.000 1.018 344 E CA -0.353 55.969 56.400 -0.129 0.000 0.840 344 E CB 1.203 30.834 29.700 -0.115 0.000 1.082 344 E HN 0.130 nan 8.360 nan 0.000 0.395 345 S N 2.687 118.216 115.700 -0.286 0.000 2.544 345 S HA 0.099 4.559 4.470 -0.017 0.000 0.290 345 S C 0.005 174.443 174.600 -0.271 0.000 1.276 345 S CA -0.183 57.738 58.200 -0.466 0.000 1.075 345 S CB -0.082 62.398 63.200 -1.200 0.000 0.849 345 S HN 0.352 nan 8.310 nan 0.000 0.494 346 L N 3.151 124.333 121.223 -0.069 0.000 2.319 346 L HA 0.842 5.172 4.340 -0.017 0.000 0.267 346 L C -0.265 176.760 176.870 0.258 0.000 1.011 346 L CA -0.890 53.988 54.840 0.064 0.000 0.818 346 L CB 1.647 43.703 42.059 -0.005 0.000 1.316 346 L HN 0.359 nan 8.230 nan 0.000 0.432 347 V N 1.670 121.697 119.914 0.188 0.000 2.971 347 V HA 0.600 4.709 4.120 -0.017 0.000 0.309 347 V C -1.514 174.645 176.094 0.107 0.000 1.130 347 V CA -0.330 62.072 62.300 0.169 0.000 0.964 347 V CB 2.410 34.315 31.823 0.137 0.000 1.029 347 V HN 0.944 nan 8.190 nan 0.000 0.427 348 N N 3.036 121.798 118.700 0.103 0.000 2.521 348 N HA 0.262 4.992 4.740 -0.017 0.000 0.269 348 N C -2.013 173.559 175.510 0.103 0.000 1.079 348 N CA -0.467 52.644 53.050 0.102 0.000 0.980 348 N CB 1.980 40.525 38.487 0.097 0.000 1.667 348 N HN 0.951 nan 8.380 nan 0.000 0.498 349 H N 4.401 123.476 119.070 0.009 0.000 2.685 349 H HA 0.364 4.911 4.556 -0.016 0.000 0.286 349 H C -1.742 173.574 175.328 -0.020 0.000 1.102 349 H CA -1.989 54.036 56.048 -0.039 0.000 1.254 349 H CB 1.477 31.177 29.762 -0.103 0.000 1.397 349 H HN 0.423 nan 8.280 nan 0.000 0.473 350 P HA -0.197 nan 4.420 nan 0.000 0.216 350 P C 1.064 178.470 177.300 0.177 0.000 1.150 350 P CA 1.645 64.825 63.100 0.132 0.000 0.837 350 P CB 0.274 31.920 31.700 -0.090 0.000 0.786 351 A N -0.469 122.496 122.820 0.241 0.000 1.832 351 A HA -0.159 4.151 4.320 -0.017 0.000 0.214 351 A C 2.312 179.963 177.584 0.111 0.000 1.200 351 A CA 2.064 54.206 52.037 0.175 0.000 0.610 351 A CB -1.722 17.412 19.000 0.224 0.000 0.842 351 A HN 0.009 nan 8.150 nan 0.000 0.444 352 V N -0.722 119.191 119.914 -0.001 0.000 2.324 352 V HA -0.303 3.807 4.120 -0.017 0.000 0.250 352 V C 2.370 178.477 176.094 0.022 0.000 1.060 352 V CA 2.439 64.716 62.300 -0.039 0.000 1.042 352 V CB -0.676 30.997 31.823 -0.250 0.000 0.650 352 V HN 0.579 nan 8.190 nan 0.000 0.450 353 M N -1.582 118.054 119.600 0.060 0.000 2.697 353 M HA 0.035 4.504 4.480 -0.017 0.000 0.168 353 M C 2.313 178.667 176.300 0.090 0.000 1.462 353 M CA 1.222 56.566 55.300 0.072 0.000 1.395 353 M CB -0.099 32.553 32.600 0.087 0.000 0.849 353 M HN 0.106 nan 8.290 nan 0.000 0.492 354 T N -0.697 113.942 114.554 0.142 0.000 2.759 354 T HA -0.187 4.153 4.350 -0.017 0.000 0.269 354 T C 0.932 175.686 174.700 0.089 0.000 1.042 354 T CA 1.789 63.984 62.100 0.158 0.000 1.140 354 T CB -0.209 68.816 68.868 0.261 0.000 0.864 354 T HN 0.334 nan 8.240 nan 0.000 0.455 355 H N -0.798 118.268 119.070 -0.007 0.000 2.672 355 H HA 0.638 5.182 4.556 -0.019 0.000 0.277 355 H C 1.790 177.094 175.328 -0.039 0.000 1.074 355 H CA 0.098 56.119 56.048 -0.046 0.000 1.173 355 H CB -0.126 29.611 29.762 -0.042 0.000 1.558 355 H HN 0.329 nan 8.280 nan 0.000 0.539 356 A N 0.757 123.621 122.820 0.074 0.000 1.927 356 A HA -0.206 4.104 4.320 -0.017 0.000 0.220 356 A C 1.774 179.361 177.584 0.006 0.000 1.185 356 A CA 1.636 53.698 52.037 0.041 0.000 0.639 356 A CB -0.671 18.348 19.000 0.032 0.000 0.820 356 A HN 0.474 nan 8.150 nan 0.000 0.451 357 S N -1.758 113.924 115.700 -0.029 0.000 2.641 357 S HA 0.367 4.827 4.470 -0.017 0.000 0.261 357 S C 1.103 175.664 174.600 -0.064 0.000 1.257 357 S CA 0.011 58.186 58.200 -0.041 0.000 0.983 357 S CB 0.152 63.323 63.200 -0.049 0.000 0.990 357 S HN 0.617 nan 8.310 nan 0.000 0.572 358 I N -0.749 119.793 120.570 -0.047 0.000 3.644 358 I HA -0.247 3.913 4.170 -0.017 0.000 0.173 358 I C -1.700 174.369 176.117 -0.080 0.000 0.694 358 I CA 1.827 63.102 61.300 -0.042 0.000 1.088 358 I CB -2.785 35.226 38.000 0.019 0.000 0.897 358 I HN 0.546 nan 8.210 nan 0.000 0.289 359 P HA 0.028 nan 4.420 nan 0.000 0.225 359 P C -0.501 176.790 177.300 -0.015 0.000 1.054 359 P CA 0.610 63.658 63.100 -0.087 0.000 1.244 359 P CB -0.479 31.183 31.700 -0.064 0.000 1.310 360 V N -0.648 119.261 119.914 -0.008 0.000 3.096 360 V HA 0.732 4.842 4.120 -0.017 0.000 0.319 360 V C 1.640 177.742 176.094 0.014 0.000 1.103 360 V CA -0.420 61.886 62.300 0.010 0.000 1.016 360 V CB 0.824 32.652 31.823 0.009 0.000 1.090 360 V HN 0.246 nan 8.190 nan 0.000 0.449 361 A N 0.830 123.661 122.820 0.019 0.000 1.935 361 A HA -0.321 3.989 4.320 -0.017 0.000 0.224 361 A C 2.208 179.800 177.584 0.014 0.000 1.324 361 A CA 3.231 55.279 52.037 0.019 0.000 0.686 361 A CB -1.040 17.969 19.000 0.015 0.000 0.837 361 A HN 1.088 nan 8.150 nan 0.000 0.481 362 R N -1.074 119.435 120.500 0.014 0.000 2.115 362 R HA -0.225 4.104 4.340 -0.017 0.000 0.239 362 R C 2.145 178.453 176.300 0.013 0.000 1.133 362 R CA 2.210 58.320 56.100 0.016 0.000 0.935 362 R CB -0.581 29.733 30.300 0.022 0.000 0.853 362 R HN 0.407 nan 8.270 nan 0.000 0.433 363 R N 1.382 121.886 120.500 0.005 0.000 2.115 363 R HA -0.036 4.294 4.340 -0.017 0.000 0.230 363 R C 0.626 176.919 176.300 -0.012 0.000 1.111 363 R CA 1.210 57.304 56.100 -0.009 0.000 0.976 363 R CB -0.437 29.837 30.300 -0.044 0.000 0.870 363 R HN 0.490 nan 8.270 nan 0.000 0.445 364 E N 1.717 121.913 120.200 -0.006 0.000 2.860 364 E HA -0.084 4.255 4.350 -0.017 0.000 0.318 364 E C 1.140 177.734 176.600 -0.010 0.000 1.481 364 E CA -0.120 56.272 56.400 -0.014 0.000 1.613 364 E CB -0.040 29.654 29.700 -0.010 0.000 1.279 364 E HN 0.418 nan 8.360 nan 0.000 0.489 365 Q N 0.650 120.447 119.800 -0.006 0.000 2.391 365 Q HA -0.010 4.319 4.340 -0.017 0.000 0.211 365 Q C 1.714 177.709 176.000 -0.008 0.000 0.908 365 Q CA 0.107 55.909 55.803 -0.002 0.000 0.920 365 Q CB -0.079 28.665 28.738 0.010 0.000 1.056 365 Q HN 0.436 nan 8.270 nan 0.000 0.523 366 L N 0.739 121.955 121.223 -0.011 0.000 2.230 366 L HA -0.219 4.111 4.340 -0.017 0.000 0.217 366 L C 1.570 178.424 176.870 -0.026 0.000 1.090 366 L CA 1.808 56.640 54.840 -0.014 0.000 0.771 366 L CB -0.438 41.607 42.059 -0.022 0.000 0.892 366 L HN 0.696 nan 8.230 nan 0.000 0.438 367 G N -1.214 107.565 108.800 -0.035 0.000 2.672 367 G HA2 -0.147 3.803 3.960 -0.017 0.000 0.197 367 G HA3 -0.147 3.803 3.960 -0.017 0.000 0.197 367 G C 0.289 175.155 174.900 -0.057 0.000 0.995 367 G CA -0.274 44.800 45.100 -0.043 0.000 0.754 367 G HN 0.204 nan 8.290 nan 0.000 0.505 368 I N 3.465 123.993 120.570 -0.071 0.000 2.280 368 I HA 0.315 4.475 4.170 -0.017 0.000 0.287 368 I C 1.469 177.552 176.117 -0.057 0.000 1.121 368 I CA 0.121 61.361 61.300 -0.100 0.000 1.798 368 I CB 0.002 37.896 38.000 -0.176 0.000 1.489 368 I HN 0.229 nan 8.210 nan 0.000 0.805 369 S N 3.035 118.708 115.700 -0.045 0.000 2.511 369 S HA -0.201 4.259 4.470 -0.017 0.000 0.279 369 S C 0.973 175.576 174.600 0.004 0.000 1.330 369 S CA 0.898 59.086 58.200 -0.021 0.000 1.017 369 S CB 0.331 63.505 63.200 -0.044 0.000 0.800 369 S HN 0.755 nan 8.310 nan 0.000 0.498 370 D N 0.782 121.230 120.400 0.079 0.000 2.424 370 D HA 0.388 5.018 4.640 -0.017 0.000 0.220 370 D C 0.550 176.909 176.300 0.097 0.000 1.150 370 D CA 0.376 54.495 54.000 0.197 0.000 0.831 370 D CB -0.192 40.854 40.800 0.411 0.000 0.981 370 D HN 0.492 nan 8.370 nan 0.000 0.500 371 A N 0.326 123.125 122.820 -0.035 0.000 2.465 371 A HA 0.312 4.621 4.320 -0.017 0.000 0.255 371 A C 0.249 177.684 177.584 -0.248 0.000 1.274 371 A CA -0.395 51.559 52.037 -0.138 0.000 0.920 371 A CB -0.036 18.921 19.000 -0.071 0.000 1.033 371 A HN 0.248 nan 8.150 nan 0.000 0.516 372 L N 1.330 122.394 121.223 -0.264 0.000 2.264 372 L HA 0.650 4.979 4.340 -0.017 0.000 0.289 372 L C -0.278 176.364 176.870 -0.380 0.000 1.044 372 L CA -0.990 53.691 54.840 -0.265 0.000 0.807 372 L CB 0.828 42.785 42.059 -0.171 0.000 1.192 372 L HN 0.262 nan 8.230 nan 0.000 0.425 373 V N 3.447 123.156 119.914 -0.341 0.000 2.815 373 V HA 0.711 4.820 4.120 -0.017 0.000 0.314 373 V C -0.319 175.704 176.094 -0.117 0.000 1.064 373 V CA -1.003 61.142 62.300 -0.259 0.000 0.952 373 V CB 1.668 33.358 31.823 -0.220 0.000 1.020 373 V HN 0.987 nan 8.190 nan 0.000 0.439 374 R N 3.504 123.983 120.500 -0.035 0.000 2.215 374 R HA 0.631 4.960 4.340 -0.017 0.000 0.336 374 R C -1.156 175.185 176.300 0.069 0.000 0.996 374 R CA -0.619 55.497 56.100 0.027 0.000 0.847 374 R CB 0.873 31.206 30.300 0.056 0.000 1.127 374 R HN 0.910 nan 8.270 nan 0.000 0.465 375 L N 3.341 124.611 121.223 0.078 0.000 2.281 375 L HA 0.257 4.587 4.340 -0.017 0.000 0.285 375 L C 0.346 177.317 176.870 0.170 0.000 1.074 375 L CA -0.452 54.480 54.840 0.154 0.000 0.817 375 L CB 1.710 43.840 42.059 0.119 0.000 1.168 375 L HN 0.603 nan 8.230 nan 0.000 0.434 376 S N 3.483 119.289 115.700 0.176 0.000 2.592 376 S HA 0.307 4.767 4.470 -0.017 0.000 0.305 376 S C -0.095 174.568 174.600 0.104 0.000 1.118 376 S CA -0.748 57.493 58.200 0.069 0.000 1.075 376 S CB -0.004 63.166 63.200 -0.050 0.000 1.107 376 S HN 0.325 nan 8.310 nan 0.000 0.503 377 V N 5.541 125.547 119.914 0.152 0.000 2.529 377 V HA 0.346 4.456 4.120 -0.017 0.000 0.292 377 V C 1.548 177.720 176.094 0.129 0.000 1.028 377 V CA 0.113 62.507 62.300 0.157 0.000 1.074 377 V CB 0.272 32.214 31.823 0.198 0.000 0.958 377 V HN 0.841 nan 8.190 nan 0.000 0.481 378 G N 3.786 112.592 108.800 0.010 0.000 2.546 378 G HA2 0.459 4.408 3.960 -0.017 0.000 0.239 378 G HA3 0.459 4.408 3.960 -0.017 0.000 0.239 378 G C 0.401 175.343 174.900 0.071 0.000 1.476 378 G CA -0.156 45.012 45.100 0.113 0.000 1.064 378 G HN 0.989 nan 8.290 nan 0.000 0.561 379 I N -2.363 118.161 120.570 -0.076 0.000 3.856 379 I HA 0.448 4.607 4.170 -0.017 0.000 0.330 379 I C -0.141 175.906 176.117 -0.116 0.000 1.546 379 I CA -0.460 60.745 61.300 -0.159 0.000 1.132 379 I CB 0.460 38.304 38.000 -0.260 0.000 1.157 379 I HN 0.083 nan 8.210 nan 0.000 0.440 380 E N 1.831 121.966 120.200 -0.109 0.000 2.435 380 E HA 0.031 4.371 4.350 -0.017 0.000 0.256 380 E C -0.235 176.317 176.600 -0.079 0.000 1.245 380 E CA 0.008 56.348 56.400 -0.101 0.000 0.989 380 E CB 0.300 29.923 29.700 -0.129 0.000 0.983 380 E HN 0.386 nan 8.360 nan 0.000 0.480 381 D N 0.203 120.561 120.400 -0.069 0.000 2.417 381 D HA -0.052 4.577 4.640 -0.017 0.000 0.250 381 D C 0.758 177.024 176.300 -0.055 0.000 1.166 381 D CA -0.256 53.710 54.000 -0.058 0.000 0.881 381 D CB 0.545 41.314 40.800 -0.052 0.000 1.164 381 D HN 0.314 nan 8.370 nan 0.000 0.467 382 L N 5.272 126.464 121.223 -0.052 0.000 1.976 382 L HA -0.083 4.246 4.340 -0.017 0.000 0.223 382 L C 2.173 178.997 176.870 -0.078 0.000 1.081 382 L CA 2.753 57.560 54.840 -0.055 0.000 0.784 382 L CB -1.276 40.749 42.059 -0.057 0.000 0.896 382 L HN 0.734 nan 8.230 nan 0.000 0.438 383 G N -1.067 107.681 108.800 -0.087 0.000 2.681 383 G HA2 -0.405 3.545 3.960 -0.017 0.000 0.220 383 G HA3 -0.405 3.545 3.960 -0.017 0.000 0.220 383 G C 1.314 176.164 174.900 -0.083 0.000 1.210 383 G CA 1.157 46.197 45.100 -0.100 0.000 0.783 383 G HN 0.516 nan 8.290 nan 0.000 0.609 384 D N 0.225 120.591 120.400 -0.056 0.000 2.182 384 D HA -0.060 4.569 4.640 -0.017 0.000 0.201 384 D C 2.605 178.899 176.300 -0.010 0.000 0.986 384 D CA 0.547 54.524 54.000 -0.037 0.000 0.847 384 D CB -0.203 40.573 40.800 -0.040 0.000 0.942 384 D HN 0.371 nan 8.370 nan 0.000 0.467 385 L N 0.128 121.351 121.223 0.000 0.000 2.131 385 L HA -0.001 4.328 4.340 -0.017 0.000 0.206 385 L C 2.405 179.339 176.870 0.106 0.000 1.087 385 L CA 0.587 55.492 54.840 0.108 0.000 0.767 385 L CB -0.222 41.904 42.059 0.111 0.000 0.917 385 L HN -0.001 nan 8.230 nan 0.000 0.441 386 R N 0.427 120.887 120.500 -0.067 0.000 2.280 386 R HA -0.015 4.315 4.340 -0.017 0.000 0.207 386 R C 1.871 178.068 176.300 -0.172 0.000 1.043 386 R CA 1.087 57.038 56.100 -0.250 0.000 1.006 386 R CB -0.386 29.513 30.300 -0.669 0.000 0.885 386 R HN 0.202 nan 8.270 nan 0.000 0.467 387 G N 0.190 108.948 108.800 -0.071 0.000 2.603 387 G HA2 -0.198 3.752 3.960 -0.017 0.000 0.214 387 G HA3 -0.198 3.752 3.960 -0.017 0.000 0.214 387 G C 0.876 175.803 174.900 0.046 0.000 1.140 387 G CA 0.473 45.562 45.100 -0.018 0.000 0.800 387 G HN 0.395 nan 8.290 nan 0.000 0.533 388 D N -0.161 120.284 120.400 0.076 0.000 2.289 388 D HA 0.074 4.704 4.640 -0.017 0.000 0.207 388 D C 2.371 178.708 176.300 0.061 0.000 0.966 388 D CA 0.308 54.360 54.000 0.087 0.000 0.868 388 D CB 0.062 40.961 40.800 0.165 0.000 0.943 388 D HN 0.303 nan 8.370 nan 0.000 0.514 389 L N -0.193 121.094 121.223 0.108 0.000 2.253 389 L HA 0.196 4.526 4.340 -0.017 0.000 0.205 389 L C 1.704 178.698 176.870 0.207 0.000 1.078 389 L CA 0.386 55.305 54.840 0.132 0.000 0.805 389 L CB -0.154 42.022 42.059 0.195 0.000 0.963 389 L HN -0.060 nan 8.230 nan 0.000 0.459 390 E N 1.155 121.523 120.200 0.280 0.000 2.379 390 E HA 0.002 4.341 4.350 -0.017 0.000 0.209 390 E C 0.579 177.294 176.600 0.193 0.000 1.284 390 E CA -0.010 56.586 56.400 0.326 0.000 1.333 390 E CB 0.093 30.062 29.700 0.449 0.000 1.307 390 E HN 0.277 nan 8.360 nan 0.000 0.441 391 R N -0.653 119.927 120.500 0.133 0.000 2.544 391 R HA 0.318 4.648 4.340 -0.017 0.000 0.426 391 R C -0.679 175.664 176.300 0.072 0.000 0.943 391 R CA 0.005 56.157 56.100 0.088 0.000 1.162 391 R CB 1.559 31.891 30.300 0.054 0.000 1.588 391 R HN 0.065 nan 8.270 nan 0.000 0.563 392 A N 0.000 122.888 122.820 0.114 0.000 2.254 392 A HA 0.000 4.310 4.320 -0.017 0.000 0.244 392 A CA 0.000 52.135 52.037 0.164 0.000 0.836 392 A CB 0.000 19.059 19.000 0.099 0.000 0.831 392 A HN 0.000 nan 8.150 nan 0.000 0.486