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 2iou_1_H DATA FIRST_RESID 38 DATA SEQUENCE DWNNQSIIKA GERQHGIHIK QSDGAGVRTA TGTTIKVSGR QAQGVLLENP DATA SEQUENCE AAELRFQNGS VTSSGQLFDE GVRRFLGTVT VKAGKLVADH ATLANVSDTR DATA SEQUENCE DDDGIALYVA GEQAQASIAD STLQGAGGVR VERGANVTVQ RSTIVDGGLH DATA SEQUENCE IGTLQPLQPE DLPPSRVVLG DTSVTAVPAS GAPAAVSVFG ANELTVDGGH DATA SEQUENCE ITGGRAAGVA AMDGAIVHLQ RATIRRGXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXGWYGVD VSDSTVDLAQ SIVEAPQLGA AIRAGRGARV TVSGGSLSAP DATA SEQUENCE HGNVIETGGG ARRFPPPASP LSITLQAGAR AQGRALLYRV LPEPVKLTLA DATA SEQUENCE GGAQGQGDIV ATELPPIPGA SSGPLDVALA SQARWTGATR AVDSLSIDNA DATA SEQUENCE TWVMTDNSNV GALRLASDGS VDFQQPAEAG RFKVLMVDTL AGSGLFRMNV DATA SEQUENCE FADLGLSDKL VVMRDASGQH RLWVRNSGSE PASANTMLLV QTPRGSAATF DATA SEQUENCE TLANKDGKVD IGTYRYRLAA NGNGQWSLVG AKAPP 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 38 D HA 0.000 nan 4.640 nan 0.000 0.175 38 D C 0.000 176.091 176.300 -0.349 0.000 2.045 38 D CA 0.000 53.854 54.000 -0.244 0.000 0.868 38 D CB 0.000 40.609 40.800 -0.318 0.000 0.688 39 W N 1.991 123.298 121.300 0.012 0.000 2.417 39 W HA 0.697 5.357 4.660 0.000 0.000 0.315 39 W C -0.910 175.600 176.519 -0.015 0.000 1.045 39 W CA -0.476 56.876 57.345 0.012 0.000 1.221 39 W CB 0.687 30.170 29.460 0.038 0.000 1.309 39 W HN -0.240 nan 8.180 nan 0.000 0.453 40 N N 3.132 121.934 118.700 0.170 0.000 2.491 40 N HA 0.226 4.966 4.740 0.000 0.000 0.274 40 N C -0.068 175.482 175.510 0.066 0.000 1.023 40 N CA -0.563 52.536 53.050 0.081 0.000 0.902 40 N CB 0.886 39.395 38.487 0.037 0.000 1.267 40 N HN 0.412 nan 8.380 nan 0.000 0.503 41 N N 0.240 118.963 118.700 0.039 0.000 2.713 41 N HA -0.246 4.494 4.740 0.000 0.000 0.251 41 N C -0.349 175.188 175.510 0.046 0.000 1.117 41 N CA 0.980 54.045 53.050 0.025 0.000 0.770 41 N CB -0.722 37.773 38.487 0.014 0.000 1.137 41 N HN 0.707 nan 8.380 nan 0.000 0.566 42 Q N 0.010 119.857 119.800 0.079 0.000 2.527 42 Q HA 0.369 4.709 4.340 0.000 0.000 0.189 42 Q C 0.601 176.645 176.000 0.074 0.000 1.116 42 Q CA 0.131 55.990 55.803 0.094 0.000 1.169 42 Q CB 0.333 29.166 28.738 0.157 0.000 1.211 42 Q HN 0.119 nan 8.270 nan 0.000 0.649 43 S N -0.220 115.525 115.700 0.075 0.000 2.701 43 S HA 0.249 4.719 4.470 0.000 0.000 0.228 43 S C -0.617 174.016 174.600 0.056 0.000 0.948 43 S CA -0.401 57.834 58.200 0.058 0.000 1.129 43 S CB -0.108 63.120 63.200 0.045 0.000 1.352 43 S HN 0.428 nan 8.310 nan 0.000 0.446 44 I N 2.909 123.516 120.570 0.062 0.000 2.996 44 I HA 0.042 4.212 4.170 0.000 0.000 0.285 44 I C 0.197 176.330 176.117 0.028 0.000 1.173 44 I CA 0.812 62.140 61.300 0.047 0.000 1.396 44 I CB -0.348 37.664 38.000 0.020 0.000 1.470 44 I HN 0.444 nan 8.210 nan 0.000 0.586 45 I N 6.826 127.412 120.570 0.028 0.000 2.382 45 I HA 0.342 4.512 4.170 0.000 0.000 0.286 45 I C -0.543 175.581 176.117 0.013 0.000 1.002 45 I CA -0.691 60.620 61.300 0.018 0.000 1.135 45 I CB 0.693 38.705 38.000 0.019 0.000 1.288 45 I HN 0.346 nan 8.210 nan 0.000 0.448 46 K N 6.186 126.589 120.400 0.004 0.000 2.478 46 K HA 0.478 4.798 4.320 0.000 0.000 0.236 46 K C 0.694 177.288 176.600 -0.010 0.000 1.021 46 K CA -0.049 56.236 56.287 -0.005 0.000 1.010 46 K CB 1.590 34.082 32.500 -0.013 0.000 1.331 46 K HN 0.701 nan 8.250 nan 0.000 0.470 47 A N 2.321 125.137 122.820 -0.007 0.000 2.131 47 A HA -0.022 4.298 4.320 0.000 0.000 0.220 47 A C 1.229 178.801 177.584 -0.020 0.000 1.158 47 A CA 1.020 53.051 52.037 -0.009 0.000 0.665 47 A CB -0.634 18.363 19.000 -0.005 0.000 0.795 47 A HN 0.663 nan 8.150 nan 0.000 0.460 48 G N 0.367 109.151 108.800 -0.027 0.000 2.265 48 G HA2 0.251 4.211 3.960 0.000 0.000 0.240 48 G HA3 0.251 4.211 3.960 0.000 0.000 0.240 48 G C 0.015 174.879 174.900 -0.060 0.000 1.270 48 G CA -0.238 44.837 45.100 -0.042 0.000 0.901 48 G HN 0.384 nan 8.290 nan 0.000 0.507 49 E N 2.027 122.191 120.200 -0.060 0.000 2.316 49 E HA 0.076 4.426 4.350 0.000 0.000 0.275 49 E C 1.085 177.617 176.600 -0.112 0.000 1.029 49 E CA -0.393 55.967 56.400 -0.067 0.000 0.871 49 E CB 0.243 29.915 29.700 -0.048 0.000 1.022 49 E HN 0.664 nan 8.360 nan 0.000 0.418 50 R N 3.043 123.461 120.500 -0.136 0.000 3.651 50 R HA -0.176 4.164 4.340 0.000 0.000 0.292 50 R C -0.768 175.261 176.300 -0.452 0.000 1.161 50 R CA 0.620 56.577 56.100 -0.239 0.000 0.787 50 R CB -0.694 29.497 30.300 -0.181 0.000 1.249 50 R HN 0.593 nan 8.270 nan 0.000 0.476 51 Q N 0.799 120.389 119.800 -0.350 0.000 2.394 51 Q HA 0.196 4.536 4.340 0.000 0.000 0.259 51 Q C -0.960 174.894 176.000 -0.243 0.000 1.021 51 Q CA -0.394 55.218 55.803 -0.318 0.000 0.805 51 Q CB 1.264 29.914 28.738 -0.148 0.000 1.226 51 Q HN 0.363 nan 8.270 nan 0.000 0.476 52 H N 0.403 119.450 119.070 -0.038 0.000 2.620 52 H HA 0.146 4.702 4.556 0.000 0.000 0.313 52 H C 1.480 176.794 175.328 -0.024 0.000 1.075 52 H CA -0.114 55.923 56.048 -0.019 0.000 1.397 52 H CB 1.326 31.104 29.762 0.026 0.000 1.446 52 H HN 0.879 nan 8.280 nan 0.000 0.493 53 G N 3.923 112.763 108.800 0.067 0.000 2.672 53 G HA2 -0.240 3.720 3.960 0.000 0.000 0.218 53 G HA3 -0.240 3.720 3.960 0.000 0.000 0.218 53 G C 0.471 175.315 174.900 -0.094 0.000 1.238 53 G CA 0.777 45.861 45.100 -0.026 0.000 0.791 53 G HN 0.556 nan 8.290 nan 0.000 0.606 54 I N -0.589 119.906 120.570 -0.125 0.000 2.466 54 I HA 0.374 4.544 4.170 0.000 0.000 0.289 54 I C -0.977 175.144 176.117 0.006 0.000 1.026 54 I CA -0.838 60.358 61.300 -0.173 0.000 1.078 54 I CB 2.269 40.020 38.000 -0.415 0.000 1.249 54 I HN 0.265 nan 8.210 nan 0.000 0.429 55 H N 6.559 125.634 119.070 0.009 0.000 2.589 55 H HA 0.618 5.174 4.556 0.000 0.000 0.351 55 H C -1.397 173.970 175.328 0.065 0.000 1.074 55 H CA -0.482 55.588 56.048 0.037 0.000 1.203 55 H CB 1.603 31.442 29.762 0.129 0.000 1.558 55 H HN 0.453 nan 8.280 nan 0.000 0.522 56 I N 5.422 125.712 120.570 -0.467 0.000 2.354 56 I HA 0.216 4.386 4.170 0.000 0.000 0.286 56 I C -0.228 175.672 176.117 -0.362 0.000 1.007 56 I CA -0.830 60.328 61.300 -0.236 0.000 1.167 56 I CB 1.287 39.227 38.000 -0.100 0.000 1.320 56 I HN 0.504 nan 8.210 nan 0.000 0.458 57 K N 4.934 125.311 120.400 -0.039 0.000 2.436 57 K HA 0.048 4.368 4.320 0.000 0.000 0.275 57 K C 1.044 177.666 176.600 0.037 0.000 0.999 57 K CA -0.082 56.275 56.287 0.117 0.000 0.980 57 K CB 0.691 33.300 32.500 0.182 0.000 0.919 57 K HN 0.535 nan 8.250 nan 0.000 0.484 58 Q N 0.434 120.269 119.800 0.058 0.000 2.152 58 Q HA -0.151 4.189 4.340 0.000 0.000 0.206 58 Q C 0.132 176.148 176.000 0.027 0.000 0.985 58 Q CA 1.523 57.343 55.803 0.029 0.000 0.863 58 Q CB 0.037 28.799 28.738 0.039 0.000 0.904 58 Q HN 0.576 nan 8.270 nan 0.000 0.422 59 S N 0.404 116.127 115.700 0.038 0.000 2.062 59 S HA 0.304 4.774 4.470 0.000 0.000 0.163 59 S C -0.905 173.718 174.600 0.038 0.000 1.612 59 S CA -0.772 57.447 58.200 0.032 0.000 1.251 59 S CB 0.875 64.092 63.200 0.027 0.000 1.174 59 S HN 0.041 nan 8.310 nan 0.000 0.428 60 D N 2.043 122.467 120.400 0.040 0.000 2.481 60 D HA 0.575 5.216 4.640 0.000 0.000 0.283 60 D C 0.977 177.298 176.300 0.034 0.000 1.192 60 D CA -0.061 53.967 54.000 0.046 0.000 1.100 60 D CB 0.119 40.953 40.800 0.058 0.000 1.166 60 D HN 0.481 nan 8.370 nan 0.000 0.584 61 G N -1.143 107.679 108.800 0.036 0.000 2.441 61 G HA2 0.427 4.387 3.960 0.000 0.000 0.243 61 G HA3 0.427 4.387 3.960 0.000 0.000 0.243 61 G C -0.493 174.422 174.900 0.025 0.000 1.281 61 G CA 0.132 45.248 45.100 0.027 0.000 0.854 61 G HN 0.386 nan 8.290 nan 0.000 0.560 62 A N 1.970 124.802 122.820 0.019 0.000 3.095 62 A HA 0.761 5.081 4.320 0.000 0.000 0.301 62 A C 0.790 178.385 177.584 0.017 0.000 1.432 62 A CA 0.260 52.307 52.037 0.017 0.000 1.140 62 A CB -0.248 18.760 19.000 0.013 0.000 1.174 62 A HN 1.489 nan 8.150 nan 0.000 0.546 63 G N -0.908 107.906 108.800 0.023 0.000 2.634 63 G HA2 0.480 4.440 3.960 0.000 0.000 0.309 63 G HA3 0.480 4.440 3.960 0.000 0.000 0.309 63 G C -1.257 173.663 174.900 0.033 0.000 1.299 63 G CA -0.394 44.721 45.100 0.023 0.000 0.798 63 G HN 0.480 nan 8.290 nan 0.000 0.490 64 V N 1.233 121.168 119.914 0.033 0.000 2.408 64 V HA 0.481 4.601 4.120 0.000 0.000 0.267 64 V C 0.467 176.598 176.094 0.062 0.000 1.047 64 V CA -0.375 61.952 62.300 0.045 0.000 0.937 64 V CB 0.448 32.292 31.823 0.036 0.000 0.999 64 V HN 0.585 nan 8.190 nan 0.000 0.472 65 R N 2.348 122.905 120.500 0.096 0.000 2.549 65 R HA 0.830 5.170 4.340 0.000 0.000 0.259 65 R C 0.148 176.547 176.300 0.164 0.000 1.095 65 R CA -0.278 55.914 56.100 0.153 0.000 1.148 65 R CB 1.374 31.818 30.300 0.239 0.000 1.181 65 R HN 0.830 nan 8.270 nan 0.000 0.571 66 T N -1.412 113.283 114.554 0.235 0.000 3.087 66 T HA 0.683 5.033 4.350 0.000 0.000 0.351 66 T C -2.105 172.781 174.700 0.310 0.000 1.520 66 T CA -0.372 61.853 62.100 0.207 0.000 1.111 66 T CB 0.961 69.894 68.868 0.109 0.000 1.353 66 T HN 0.640 nan 8.240 nan 0.000 0.481 67 A N 2.807 125.745 122.820 0.197 0.000 2.437 67 A HA 0.766 5.086 4.320 0.000 0.000 0.293 67 A C -0.490 177.009 177.584 -0.141 0.000 1.038 67 A CA -0.680 51.437 52.037 0.133 0.000 0.708 67 A CB 1.698 20.778 19.000 0.133 0.000 1.251 67 A HN 0.878 nan 8.150 nan 0.000 0.409 68 T N 0.473 114.965 114.554 -0.102 0.000 2.841 68 T HA 0.594 4.944 4.350 0.000 0.000 0.283 68 T C 1.026 175.633 174.700 -0.156 0.000 1.000 68 T CA 0.324 62.325 62.100 -0.165 0.000 0.977 68 T CB 1.610 70.432 68.868 -0.076 0.000 0.979 68 T HN 2.262 nan 8.240 nan 0.000 0.446 69 G N 2.561 111.244 108.800 -0.194 0.000 2.269 69 G HA2 -0.280 3.680 3.960 0.000 0.000 0.277 69 G HA3 -0.280 3.680 3.960 0.000 0.000 0.277 69 G C 0.229 175.077 174.900 -0.087 0.000 1.008 69 G CA 0.462 45.491 45.100 -0.118 0.000 0.774 69 G HN 0.874 nan 8.290 nan 0.000 0.511 70 T N 1.998 116.459 114.554 -0.155 0.000 3.316 70 T HA 0.464 4.814 4.350 0.000 0.000 0.341 70 T C 0.854 175.602 174.700 0.081 0.000 1.397 70 T CA 0.287 62.371 62.100 -0.027 0.000 1.085 70 T CB 0.416 69.282 68.868 -0.002 0.000 1.160 70 T HN 0.750 nan 8.240 nan 0.000 0.694 71 T N 1.467 116.070 114.554 0.082 0.000 2.916 71 T HA 0.510 4.860 4.350 0.000 0.000 0.303 71 T C 0.112 174.878 174.700 0.110 0.000 1.025 71 T CA -0.524 61.650 62.100 0.124 0.000 1.142 71 T CB 0.201 69.115 68.868 0.077 0.000 0.947 71 T HN 0.440 nan 8.240 nan 0.000 0.544 72 I N 2.027 122.662 120.570 0.109 0.000 2.569 72 I HA 0.589 4.759 4.170 0.000 0.000 0.296 72 I C -0.225 175.907 176.117 0.024 0.000 1.028 72 I CA -1.145 60.183 61.300 0.046 0.000 1.082 72 I CB 2.368 40.370 38.000 0.002 0.000 1.264 72 I HN 0.694 nan 8.210 nan 0.000 0.429 73 K N 5.003 125.412 120.400 0.015 0.000 2.535 73 K HA 0.640 4.960 4.320 0.000 0.000 0.250 73 K C -2.115 174.488 176.600 0.005 0.000 0.948 73 K CA -0.465 55.828 56.287 0.010 0.000 0.796 73 K CB 2.051 34.561 32.500 0.016 0.000 1.216 73 K HN 0.359 nan 8.250 nan 0.000 0.432 74 V N 4.420 124.335 119.914 0.003 0.000 2.380 74 V HA 0.190 4.310 4.120 0.000 0.000 0.286 74 V C 0.678 176.774 176.094 0.005 0.000 1.015 74 V CA -0.282 62.020 62.300 0.003 0.000 0.834 74 V CB 1.187 33.016 31.823 0.010 0.000 1.009 74 V HN 0.999 nan 8.190 nan 0.000 0.428 75 S N 2.633 118.334 115.700 0.002 0.000 2.501 75 S HA 0.091 4.561 4.470 0.000 0.000 0.220 75 S C 1.236 175.835 174.600 -0.002 0.000 0.997 75 S CA 0.350 58.552 58.200 0.002 0.000 0.919 75 S CB 0.131 63.333 63.200 0.003 0.000 0.778 75 S HN 0.935 nan 8.310 nan 0.000 0.523 76 G N 3.136 111.930 108.800 -0.010 0.000 2.254 76 G HA2 0.206 4.166 3.960 0.000 0.000 0.253 76 G HA3 0.206 4.166 3.960 0.000 0.000 0.253 76 G C 0.038 174.928 174.900 -0.015 0.000 1.246 76 G CA -0.442 44.645 45.100 -0.021 0.000 0.946 76 G HN 0.373 nan 8.290 nan 0.000 0.474 77 R N 2.871 123.364 120.500 -0.012 0.000 2.570 77 R HA 0.034 4.374 4.340 0.000 0.000 0.277 77 R C 0.745 177.039 176.300 -0.010 0.000 1.039 77 R CA 0.374 56.474 56.100 -0.001 0.000 1.065 77 R CB -0.052 30.252 30.300 0.007 0.000 0.964 77 R HN 0.822 nan 8.270 nan 0.000 0.428 78 Q N 0.011 119.812 119.800 0.002 0.000 2.494 78 Q HA -0.228 4.112 4.340 0.000 0.000 0.272 78 Q C -1.444 174.566 176.000 0.017 0.000 1.145 78 Q CA 1.222 57.013 55.803 -0.020 0.000 0.943 78 Q CB -1.065 27.632 28.738 -0.070 0.000 1.338 78 Q HN 0.706 nan 8.270 nan 0.000 0.492 79 A N 1.477 124.325 122.820 0.046 0.000 2.357 79 A HA 0.512 4.832 4.320 0.000 0.000 0.295 79 A C -0.018 177.670 177.584 0.174 0.000 1.121 79 A CA -0.863 51.268 52.037 0.155 0.000 0.742 79 A CB 0.943 19.933 19.000 -0.017 0.000 1.181 79 A HN 0.260 nan 8.150 nan 0.000 0.454 80 Q N 1.975 121.906 119.800 0.217 0.000 2.368 80 Q HA 0.310 4.650 4.340 0.000 0.000 0.237 80 Q C 1.026 177.054 176.000 0.046 0.000 0.987 80 Q CA 0.117 55.943 55.803 0.039 0.000 0.896 80 Q CB 0.649 29.334 28.738 -0.088 0.000 1.241 80 Q HN 0.704 nan 8.270 nan 0.000 0.485 81 G N 1.196 109.984 108.800 -0.021 0.000 2.459 81 G HA2 -0.047 3.913 3.960 0.000 0.000 0.217 81 G HA3 -0.047 3.913 3.960 0.000 0.000 0.217 81 G C 0.173 175.014 174.900 -0.098 0.000 1.183 81 G CA 0.676 45.741 45.100 -0.058 0.000 0.776 81 G HN 0.405 nan 8.290 nan 0.000 0.552 82 V N 0.566 120.396 119.914 -0.140 0.000 2.577 82 V HA 0.534 4.654 4.120 0.000 0.000 0.303 82 V C -1.244 174.756 176.094 -0.156 0.000 1.042 82 V CA -0.808 61.393 62.300 -0.166 0.000 0.872 82 V CB 1.913 33.588 31.823 -0.247 0.000 0.998 82 V HN 0.264 nan 8.190 nan 0.000 0.423 83 L N 6.486 127.610 121.223 -0.165 0.000 2.342 83 L HA 0.736 5.076 4.340 0.000 0.000 0.276 83 L C -1.182 175.553 176.870 -0.225 0.000 0.997 83 L CA -0.441 54.281 54.840 -0.197 0.000 0.838 83 L CB 1.374 43.261 42.059 -0.287 0.000 1.224 83 L HN 0.623 nan 8.230 nan 0.000 0.416 84 L N 4.514 125.638 121.223 -0.166 0.000 2.296 84 L HA 0.557 4.897 4.340 0.000 0.000 0.286 84 L C 0.280 177.073 176.870 -0.129 0.000 1.023 84 L CA 0.613 55.361 54.840 -0.154 0.000 0.812 84 L CB 1.415 43.422 42.059 -0.087 0.000 1.223 84 L HN 0.859 nan 8.230 nan 0.000 0.421 85 E N 2.405 122.515 120.200 -0.149 0.000 2.801 85 E HA 0.199 4.549 4.350 0.000 0.000 0.212 85 E C -0.716 175.851 176.600 -0.055 0.000 0.963 85 E CA -0.068 56.276 56.400 -0.093 0.000 1.247 85 E CB 0.462 30.098 29.700 -0.106 0.000 1.076 85 E HN 0.554 nan 8.360 nan 0.000 0.504 86 N N 1.293 119.961 118.700 -0.053 0.000 2.479 86 N HA 0.175 4.915 4.740 0.000 0.000 0.261 86 N C -2.172 173.331 175.510 -0.012 0.000 0.979 86 N CA -2.065 50.970 53.050 -0.025 0.000 0.930 86 N CB 1.659 40.133 38.487 -0.022 0.000 1.172 86 N HN -0.096 nan 8.380 nan 0.000 0.499 87 P HA 0.012 nan 4.420 nan 0.000 0.242 87 P C 0.173 177.474 177.300 0.002 0.000 1.198 87 P CA 0.534 63.634 63.100 -0.001 0.000 0.756 87 P CB 0.341 32.042 31.700 0.002 0.000 0.911 88 A N -1.309 121.513 122.820 0.004 0.000 2.427 88 A HA 0.568 4.888 4.320 0.000 0.000 0.225 88 A C 1.099 178.690 177.584 0.011 0.000 1.257 88 A CA 0.194 52.235 52.037 0.008 0.000 0.985 88 A CB 0.107 19.112 19.000 0.009 0.000 1.136 88 A HN 0.217 nan 8.150 nan 0.000 0.538 89 A N 0.404 123.230 122.820 0.010 0.000 2.309 89 A HA 0.595 4.915 4.320 0.000 0.000 0.298 89 A C -0.259 177.338 177.584 0.021 0.000 1.165 89 A CA -0.282 51.766 52.037 0.019 0.000 0.821 89 A CB 0.318 19.328 19.000 0.017 0.000 1.102 89 A HN 0.347 nan 8.150 nan 0.000 0.500 90 E N 2.450 122.670 120.200 0.033 0.000 2.158 90 E HA 0.446 4.796 4.350 0.000 0.000 0.271 90 E C -1.528 175.109 176.600 0.061 0.000 0.911 90 E CA -0.576 55.847 56.400 0.038 0.000 0.767 90 E CB 1.079 30.801 29.700 0.036 0.000 1.120 90 E HN 0.615 nan 8.360 nan 0.000 0.405 91 L N 5.440 126.700 121.223 0.062 0.000 2.296 91 L HA 0.519 4.859 4.340 0.000 0.000 0.286 91 L C -1.046 175.890 176.870 0.111 0.000 1.023 91 L CA -0.568 54.330 54.840 0.095 0.000 0.812 91 L CB 1.063 43.164 42.059 0.069 0.000 1.223 91 L HN 0.711 nan 8.230 nan 0.000 0.421 92 R N 5.344 125.929 120.500 0.142 0.000 2.343 92 R HA 0.425 4.765 4.340 0.000 0.000 0.320 92 R C -1.476 174.943 176.300 0.197 0.000 0.956 92 R CA -0.474 55.712 56.100 0.142 0.000 0.836 92 R CB 2.018 32.377 30.300 0.098 0.000 1.151 92 R HN 0.446 nan 8.270 nan 0.000 0.450 93 F N 2.723 122.692 119.950 0.031 0.000 2.460 93 F HA 0.333 4.860 4.527 0.000 0.000 0.341 93 F C -0.737 175.085 175.800 0.038 0.000 1.130 93 F CA -0.312 57.703 58.000 0.024 0.000 0.962 93 F CB 1.586 40.583 39.000 -0.005 0.000 1.171 93 F HN 0.374 nan 8.300 nan 0.000 0.436 94 Q N 4.711 124.321 119.800 -0.316 0.000 2.347 94 Q HA 0.333 4.673 4.340 0.000 0.000 0.271 94 Q C -0.271 175.591 176.000 -0.231 0.000 1.064 94 Q CA -1.010 54.706 55.803 -0.144 0.000 0.800 94 Q CB 1.980 30.689 28.738 -0.049 0.000 1.304 94 Q HN 0.723 nan 8.270 nan 0.000 0.438 95 N N 0.192 118.855 118.700 -0.061 0.000 2.693 95 N HA -0.201 4.539 4.740 0.000 0.000 0.249 95 N C -0.097 175.358 175.510 -0.091 0.000 1.119 95 N CA 0.982 54.004 53.050 -0.048 0.000 0.717 95 N CB -0.700 37.740 38.487 -0.079 0.000 1.071 95 N HN 0.833 nan 8.380 nan 0.000 0.555 96 G N -0.601 108.113 108.800 -0.144 0.000 2.782 96 G HA2 0.625 4.585 3.960 0.000 0.000 0.201 96 G HA3 0.625 4.585 3.960 0.000 0.000 0.201 96 G C -0.561 174.497 174.900 0.264 0.000 1.374 96 G CA 0.376 45.438 45.100 -0.063 0.000 1.039 96 G HN 0.339 nan 8.290 nan 0.000 0.576 97 S N -1.204 114.750 115.700 0.423 0.000 2.277 97 S HA 0.300 4.770 4.470 0.000 0.000 0.230 97 S C -1.287 173.410 174.600 0.161 0.000 0.893 97 S CA -0.642 57.702 58.200 0.239 0.000 1.044 97 S CB 0.376 63.656 63.200 0.133 0.000 1.252 97 S HN 0.660 nan 8.310 nan 0.000 0.393 98 V N 4.231 124.162 119.914 0.028 0.000 2.383 98 V HA 0.757 4.877 4.120 0.000 0.000 0.275 98 V C 0.649 176.715 176.094 -0.046 0.000 1.036 98 V CA -0.209 62.037 62.300 -0.090 0.000 0.889 98 V CB 1.081 32.718 31.823 -0.310 0.000 0.985 98 V HN 0.841 nan 8.190 nan 0.000 0.459 99 T N 3.161 117.702 114.554 -0.021 0.000 2.909 99 T HA 0.714 5.064 4.350 0.000 0.000 0.299 99 T C -0.614 174.083 174.700 -0.005 0.000 1.073 99 T CA -0.122 61.974 62.100 -0.007 0.000 0.999 99 T CB 1.861 70.736 68.868 0.011 0.000 1.098 99 T HN 0.969 nan 8.240 nan 0.000 0.477 100 S N 1.592 117.292 115.700 0.001 0.000 2.549 100 S HA 0.609 5.079 4.470 0.000 0.000 0.280 100 S C 0.640 175.248 174.600 0.014 0.000 1.109 100 S CA 0.081 58.285 58.200 0.006 0.000 0.905 100 S CB 1.717 64.920 63.200 0.005 0.000 1.081 100 S HN 1.111 nan 8.310 nan 0.000 0.477 101 S N 1.757 117.465 115.700 0.014 0.000 2.549 101 S HA 0.377 4.847 4.470 0.000 0.000 0.225 101 S C 1.067 175.678 174.600 0.018 0.000 1.039 101 S CA 0.130 58.340 58.200 0.016 0.000 0.942 101 S CB -0.636 62.572 63.200 0.013 0.000 0.881 101 S HN 1.317 nan 8.310 nan 0.000 0.503 102 G N 1.484 110.294 108.800 0.016 0.000 2.554 102 G HA2 0.259 4.219 3.960 0.000 0.000 0.238 102 G HA3 0.259 4.219 3.960 0.000 0.000 0.238 102 G C -0.392 174.521 174.900 0.022 0.000 1.259 102 G CA -0.418 44.692 45.100 0.016 0.000 0.843 102 G HN 0.403 nan 8.290 nan 0.000 0.582 103 Q N 1.349 121.163 119.800 0.023 0.000 2.431 103 Q HA 0.126 4.466 4.340 0.000 0.000 0.234 103 Q C -0.099 175.912 176.000 0.019 0.000 1.203 103 Q CA -0.104 55.712 55.803 0.022 0.000 0.902 103 Q CB -0.035 28.710 28.738 0.012 0.000 1.455 103 Q HN 0.390 nan 8.270 nan 0.000 0.515 104 L N 5.476 126.695 121.223 -0.008 0.000 2.395 104 L HA 0.573 4.913 4.340 0.000 0.000 0.269 104 L C -0.081 176.705 176.870 -0.141 0.000 1.133 104 L CA -0.532 54.282 54.840 -0.042 0.000 0.812 104 L CB 0.244 42.282 42.059 -0.036 0.000 1.125 104 L HN 0.607 nan 8.230 nan 0.000 0.452 105 F N -0.176 119.510 119.950 -0.439 0.000 2.742 105 F HA 0.286 4.813 4.527 0.000 0.000 0.318 105 F C -1.755 173.852 175.800 -0.322 0.000 1.092 105 F CA -1.215 56.436 58.000 -0.582 0.000 0.976 105 F CB 0.618 38.827 39.000 -1.318 0.000 1.244 105 F HN 0.438 nan 8.300 nan 0.000 0.470 106 D N 1.837 121.915 120.400 -0.537 0.000 2.326 106 D HA 0.418 5.058 4.640 0.000 0.000 0.251 106 D C -0.185 175.823 176.300 -0.486 0.000 1.023 106 D CA -0.360 53.318 54.000 -0.537 0.000 0.966 106 D CB 1.836 42.480 40.800 -0.261 0.000 1.156 106 D HN 0.721 nan 8.370 nan 0.000 0.494 107 E N -0.031 119.941 120.200 -0.381 0.000 2.496 107 E HA 0.242 4.592 4.350 0.000 0.000 0.200 107 E C -0.171 176.391 176.600 -0.063 0.000 1.016 107 E CA -0.407 55.903 56.400 -0.150 0.000 0.962 107 E CB 0.855 30.477 29.700 -0.130 0.000 1.071 107 E HN 0.399 nan 8.360 nan 0.000 0.457 108 G N 1.063 109.822 108.800 -0.068 0.000 2.530 108 G HA2 0.180 4.140 3.960 0.000 0.000 0.313 108 G HA3 0.180 4.140 3.960 0.000 0.000 0.313 108 G C 0.725 175.636 174.900 0.018 0.000 0.971 108 G CA -0.446 44.642 45.100 -0.021 0.000 1.237 108 G HN 0.126 nan 8.290 nan 0.000 0.446 109 V N 1.860 121.795 119.914 0.036 0.000 5.295 109 V HA -0.275 3.845 4.120 0.000 0.000 0.223 109 V C 1.512 177.665 176.094 0.099 0.000 0.707 109 V CA 1.311 63.647 62.300 0.061 0.000 0.611 109 V CB -1.650 30.208 31.823 0.059 0.000 0.319 109 V HN 1.085 nan 8.190 nan 0.000 0.586 110 R N -0.347 120.227 120.500 0.124 0.000 3.158 110 R HA -0.216 4.124 4.340 0.000 0.000 0.244 110 R C 0.551 177.032 176.300 0.302 0.000 0.900 110 R CA 1.512 57.756 56.100 0.240 0.000 0.618 110 R CB -0.747 29.724 30.300 0.285 0.000 1.061 110 R HN 0.981 nan 8.270 nan 0.000 0.471 111 R N 0.245 120.898 120.500 0.256 0.000 2.480 111 R HA 0.342 4.682 4.340 0.000 0.000 0.306 111 R C -1.094 175.359 176.300 0.255 0.000 0.958 111 R CA -0.660 55.605 56.100 0.274 0.000 0.861 111 R CB 0.947 31.356 30.300 0.180 0.000 1.171 111 R HN -0.063 nan 8.270 nan 0.000 0.445 112 F N 3.913 123.890 119.950 0.044 0.000 2.413 112 F HA 0.306 4.833 4.527 0.000 0.000 0.359 112 F C 0.907 176.617 175.800 -0.149 0.000 1.122 112 F CA -0.890 57.141 58.000 0.051 0.000 1.160 112 F CB 0.506 39.544 39.000 0.064 0.000 1.146 112 F HN 0.392 nan 8.300 nan 0.000 0.514 113 L N 2.145 123.255 121.223 -0.188 0.000 2.475 113 L HA 0.585 4.925 4.340 0.000 0.000 0.212 113 L C 1.032 177.798 176.870 -0.173 0.000 1.204 113 L CA -0.417 54.161 54.840 -0.436 0.000 0.843 113 L CB 0.169 42.002 42.059 -0.375 0.000 1.360 113 L HN 0.653 nan 8.230 nan 0.000 0.527 114 G N -1.956 106.771 108.800 -0.122 0.000 2.519 114 G HA2 0.348 4.308 3.960 0.000 0.000 0.307 114 G HA3 0.348 4.308 3.960 0.000 0.000 0.307 114 G C 0.305 175.205 174.900 0.001 0.000 1.266 114 G CA 0.032 45.150 45.100 0.029 0.000 0.970 114 G HN 0.566 nan 8.290 nan 0.000 0.481 115 T N -0.516 114.044 114.554 0.009 0.000 2.822 115 T HA -0.114 4.236 4.350 0.000 0.000 0.270 115 T C 0.672 175.341 174.700 -0.052 0.000 1.064 115 T CA 1.539 63.628 62.100 -0.018 0.000 1.131 115 T CB -0.238 68.623 68.868 -0.011 0.000 0.858 115 T HN 0.264 nan 8.240 nan 0.000 0.483 116 V N 2.213 122.101 119.914 -0.042 0.000 2.444 116 V HA 0.512 4.632 4.120 0.000 0.000 0.294 116 V C -0.099 175.990 176.094 -0.007 0.000 1.022 116 V CA -0.765 61.494 62.300 -0.069 0.000 0.850 116 V CB 1.650 33.407 31.823 -0.111 0.000 0.992 116 V HN 0.507 nan 8.190 nan 0.000 0.426 117 T N 1.895 116.435 114.554 -0.022 0.000 2.824 117 T HA 0.773 5.123 4.350 0.000 0.000 0.282 117 T C -0.812 173.902 174.700 0.023 0.000 0.993 117 T CA -0.709 61.426 62.100 0.059 0.000 0.967 117 T CB 1.637 70.520 68.868 0.025 0.000 0.960 117 T HN 0.264 nan 8.240 nan 0.000 0.441 118 V N 4.116 124.066 119.914 0.061 0.000 2.384 118 V HA 0.473 4.593 4.120 0.000 0.000 0.287 118 V C 0.696 176.817 176.094 0.046 0.000 1.020 118 V CA -0.684 61.627 62.300 0.017 0.000 0.850 118 V CB 1.432 33.252 31.823 -0.003 0.000 0.987 118 V HN 1.012 nan 8.190 nan 0.000 0.436 119 K N 2.535 122.950 120.400 0.025 0.000 2.435 119 K HA 0.622 4.943 4.320 0.000 0.000 0.199 119 K C 0.296 176.904 176.600 0.013 0.000 1.153 119 K CA 0.531 56.840 56.287 0.038 0.000 0.974 119 K CB 1.382 33.908 32.500 0.044 0.000 0.997 119 K HN 0.763 nan 8.250 nan 0.000 0.547 120 A N 0.526 123.344 122.820 -0.004 0.000 2.540 120 A HA 0.653 4.973 4.320 0.000 0.000 0.297 120 A C -0.434 177.141 177.584 -0.014 0.000 1.056 120 A CA -0.158 51.875 52.037 -0.007 0.000 0.700 120 A CB 1.276 20.273 19.000 -0.005 0.000 1.280 120 A HN 0.241 nan 8.150 nan 0.000 0.398 121 G N 0.772 109.567 108.800 -0.009 0.000 2.525 121 G HA2 0.160 4.120 3.960 0.000 0.000 0.685 121 G HA3 0.160 4.120 3.960 0.000 0.000 0.685 121 G C -0.747 174.150 174.900 -0.004 0.000 1.290 121 G CA -0.334 44.762 45.100 -0.006 0.000 0.915 121 G HN 0.875 nan 8.290 nan 0.000 0.548 122 K N -0.397 120.004 120.400 0.002 0.000 2.185 122 K HA 0.634 4.954 4.320 0.000 0.000 0.269 122 K C -0.874 175.733 176.600 0.012 0.000 0.987 122 K CA -0.844 55.447 56.287 0.006 0.000 0.865 122 K CB 1.473 33.980 32.500 0.012 0.000 1.090 122 K HN 0.655 nan 8.250 nan 0.000 0.450 123 L N 4.534 125.762 121.223 0.009 0.000 2.313 123 L HA 0.407 4.747 4.340 0.000 0.000 0.283 123 L C -1.454 175.433 176.870 0.030 0.000 1.013 123 L CA -0.486 54.364 54.840 0.016 0.000 0.816 123 L CB 1.795 43.851 42.059 -0.005 0.000 1.236 123 L HN 0.279 nan 8.230 nan 0.000 0.419 124 V N 5.341 125.289 119.914 0.056 0.000 2.350 124 V HA 0.798 4.918 4.120 0.000 0.000 0.285 124 V C 0.200 176.354 176.094 0.101 0.000 1.014 124 V CA -0.334 62.004 62.300 0.063 0.000 0.831 124 V CB 0.973 32.832 31.823 0.061 0.000 1.000 124 V HN 0.968 nan 8.190 nan 0.000 0.433 125 A N 3.939 126.811 122.820 0.086 0.000 2.304 125 A HA 0.793 5.113 4.320 0.000 0.000 0.323 125 A C -0.634 177.005 177.584 0.091 0.000 1.195 125 A CA -0.525 51.588 52.037 0.127 0.000 0.826 125 A CB 0.667 19.724 19.000 0.094 0.000 1.184 125 A HN 0.741 nan 8.150 nan 0.000 0.496 126 D N 1.364 121.837 120.400 0.123 0.000 2.788 126 D HA 0.374 5.014 4.640 0.000 0.000 0.247 126 D C -1.123 175.278 176.300 0.169 0.000 1.236 126 D CA -0.074 53.981 54.000 0.092 0.000 0.898 126 D CB 0.926 41.804 40.800 0.131 0.000 1.401 126 D HN 0.725 nan 8.370 nan 0.000 0.549 127 H N 0.015 119.115 119.070 0.049 0.000 2.604 127 H HA -0.077 4.479 4.556 0.000 0.000 0.324 127 H C -0.561 174.809 175.328 0.070 0.000 1.068 127 H CA 0.931 57.005 56.048 0.043 0.000 1.091 127 H CB -0.833 28.941 29.762 0.021 0.000 1.611 127 H HN 0.435 nan 8.280 nan 0.000 0.387 128 A N 1.097 124.011 122.820 0.157 0.000 2.401 128 A HA 0.768 5.088 4.320 0.000 0.000 0.310 128 A C 0.133 177.794 177.584 0.128 0.000 1.075 128 A CA -0.472 51.685 52.037 0.199 0.000 0.746 128 A CB 1.532 20.712 19.000 0.299 0.000 1.277 128 A HN 0.257 nan 8.150 nan 0.000 0.425 129 T N 1.873 116.504 114.554 0.128 0.000 2.771 129 T HA 0.555 4.905 4.350 0.000 0.000 0.281 129 T C -0.886 173.845 174.700 0.050 0.000 0.982 129 T CA -0.093 62.052 62.100 0.076 0.000 0.978 129 T CB 0.537 69.445 68.868 0.067 0.000 0.930 129 T HN 0.316 nan 8.240 nan 0.000 0.447 130 L N 3.328 124.564 121.223 0.022 0.000 2.345 130 L HA 0.725 5.065 4.340 0.000 0.000 0.274 130 L C 0.053 176.927 176.870 0.007 0.000 0.999 130 L CA -0.380 54.456 54.840 -0.007 0.000 0.849 130 L CB 1.011 43.056 42.059 -0.024 0.000 1.220 130 L HN 0.849 nan 8.230 nan 0.000 0.422 131 A N 2.839 125.662 122.820 0.007 0.000 2.380 131 A HA 0.832 5.152 4.320 0.000 0.000 0.315 131 A C -0.668 176.924 177.584 0.015 0.000 1.101 131 A CA -0.575 51.471 52.037 0.016 0.000 0.771 131 A CB 1.462 20.474 19.000 0.020 0.000 1.287 131 A HN 0.547 nan 8.150 nan 0.000 0.436 132 N N 1.602 120.316 118.700 0.023 0.000 2.607 132 N HA 0.365 5.105 4.740 0.000 0.000 0.271 132 N C -1.702 173.826 175.510 0.030 0.000 1.142 132 N CA -0.060 53.007 53.050 0.028 0.000 0.810 132 N CB 1.583 40.093 38.487 0.038 0.000 1.306 132 N HN 0.352 nan 8.380 nan 0.000 0.536 133 V N 2.101 122.030 119.914 0.026 0.000 2.439 133 V HA 0.697 4.817 4.120 0.000 0.000 0.282 133 V C 0.543 176.653 176.094 0.027 0.000 1.039 133 V CA -0.271 62.044 62.300 0.024 0.000 0.913 133 V CB 0.826 32.661 31.823 0.019 0.000 0.983 133 V HN 0.801 nan 8.190 nan 0.000 0.460 134 S N 2.634 118.351 115.700 0.028 0.000 3.930 134 S HA 0.380 4.851 4.470 0.000 0.000 0.291 134 S C -1.024 173.592 174.600 0.026 0.000 1.078 134 S CA -0.670 57.548 58.200 0.030 0.000 1.259 134 S CB 0.812 64.038 63.200 0.042 0.000 1.724 134 S HN 0.642 nan 8.310 nan 0.000 0.513 135 D N -0.138 120.281 120.400 0.031 0.000 2.449 135 D HA 0.720 5.360 4.640 0.000 0.000 0.250 135 D C 0.838 177.150 176.300 0.020 0.000 1.050 135 D CA -0.130 53.883 54.000 0.021 0.000 1.024 135 D CB 1.880 42.691 40.800 0.018 0.000 1.218 135 D HN 0.391 nan 8.370 nan 0.000 0.566 136 T N -0.065 114.492 114.554 0.005 0.000 2.735 136 T HA -0.041 4.309 4.350 0.000 0.000 0.256 136 T C 1.723 176.409 174.700 -0.022 0.000 1.042 136 T CA 1.035 63.129 62.100 -0.010 0.000 1.147 136 T CB -0.143 68.716 68.868 -0.015 0.000 0.865 136 T HN 0.348 nan 8.240 nan 0.000 0.421 137 R N 1.380 121.869 120.500 -0.019 0.000 2.115 137 R HA 0.024 4.364 4.340 0.000 0.000 0.226 137 R C 1.957 178.253 176.300 -0.006 0.000 1.100 137 R CA 1.225 57.308 56.100 -0.028 0.000 0.980 137 R CB -0.280 30.005 30.300 -0.024 0.000 0.875 137 R HN 0.332 nan 8.270 nan 0.000 0.445 138 D N 0.619 121.032 120.400 0.022 0.000 2.084 138 D HA -0.055 4.585 4.640 0.000 0.000 0.199 138 D C 0.200 176.603 176.300 0.171 0.000 0.981 138 D CA 1.161 55.193 54.000 0.052 0.000 0.841 138 D CB -0.239 40.579 40.800 0.031 0.000 0.997 138 D HN 0.032 nan 8.370 nan 0.000 0.454 139 D N -0.795 119.708 120.400 0.173 0.000 2.299 139 D HA 0.146 4.786 4.640 0.000 0.000 0.243 139 D C 0.243 176.662 176.300 0.198 0.000 0.982 139 D CA -0.505 53.687 54.000 0.321 0.000 0.924 139 D CB 1.680 42.586 40.800 0.176 0.000 1.238 139 D HN -0.317 nan 8.370 nan 0.000 0.484 140 D N 0.882 121.427 120.400 0.242 0.000 2.213 140 D HA 0.117 4.757 4.640 0.000 0.000 0.205 140 D C 0.995 177.335 176.300 0.066 0.000 0.961 140 D CA 1.215 55.230 54.000 0.025 0.000 0.853 140 D CB 0.161 40.923 40.800 -0.062 0.000 0.967 140 D HN 0.668 nan 8.370 nan 0.000 0.496 141 G N 1.028 109.899 108.800 0.119 0.000 2.140 141 G HA2 -0.258 3.702 3.960 0.000 0.000 0.211 141 G HA3 -0.258 3.702 3.960 0.000 0.000 0.211 141 G C 0.225 175.175 174.900 0.084 0.000 1.013 141 G CA -0.185 44.965 45.100 0.084 0.000 0.705 141 G HN 0.305 nan 8.290 nan 0.000 0.508 142 I N 0.900 121.536 120.570 0.110 0.000 2.664 142 I HA 0.276 4.446 4.170 0.000 0.000 0.284 142 I C 1.784 177.958 176.117 0.096 0.000 1.154 142 I CA 0.474 61.846 61.300 0.121 0.000 1.402 142 I CB 0.922 39.025 38.000 0.172 0.000 1.395 142 I HN 0.259 nan 8.210 nan 0.000 0.545 143 A N 7.027 129.897 122.820 0.084 0.000 1.878 143 A HA 0.123 4.443 4.320 0.000 0.000 0.213 143 A C 0.577 178.193 177.584 0.053 0.000 1.192 143 A CA 0.931 53.001 52.037 0.055 0.000 0.619 143 A CB 0.088 19.114 19.000 0.043 0.000 0.837 143 A HN 0.559 nan 8.150 nan 0.000 0.446 144 L N -2.142 119.128 121.223 0.079 0.000 2.408 144 L HA 0.666 5.006 4.340 0.000 0.000 0.268 144 L C -1.533 175.427 176.870 0.151 0.000 0.986 144 L CA -0.872 54.016 54.840 0.080 0.000 0.820 144 L CB 1.982 44.062 42.059 0.036 0.000 1.303 144 L HN 0.273 nan 8.230 nan 0.000 0.411 145 Y N 4.822 125.123 120.300 0.002 0.000 2.322 145 Y HA 0.696 5.246 4.550 0.000 0.000 0.324 145 Y C -1.589 174.311 175.900 -0.000 0.000 1.027 145 Y CA -0.730 57.378 58.100 0.013 0.000 1.179 145 Y CB 1.662 40.135 38.460 0.021 0.000 1.136 145 Y HN 0.369 nan 8.280 nan 0.000 0.449 146 V N 5.256 125.018 119.914 -0.254 0.000 2.378 146 V HA 0.916 5.036 4.120 0.000 0.000 0.288 146 V C -0.461 175.447 176.094 -0.310 0.000 1.016 146 V CA -0.423 61.772 62.300 -0.175 0.000 0.840 146 V CB 1.001 32.766 31.823 -0.096 0.000 0.994 146 V HN 0.867 nan 8.190 nan 0.000 0.431 147 A N 3.442 126.148 122.820 -0.190 0.000 2.455 147 A HA 1.031 5.351 4.320 0.000 0.000 0.300 147 A C -0.039 177.534 177.584 -0.018 0.000 1.040 147 A CA -0.085 51.867 52.037 -0.141 0.000 0.697 147 A CB 1.844 20.761 19.000 -0.138 0.000 1.265 147 A HN 2.167 nan 8.150 nan 0.000 0.407 148 G N 0.506 109.296 108.800 -0.017 0.000 2.465 148 G HA2 0.105 4.065 3.960 0.000 0.000 0.681 148 G HA3 0.105 4.065 3.960 0.000 0.000 0.681 148 G C 0.069 174.965 174.900 -0.006 0.000 1.340 148 G CA 0.064 45.166 45.100 0.003 0.000 0.884 148 G HN 0.950 nan 8.290 nan 0.000 0.650 149 E N -0.583 119.617 120.200 -0.000 0.000 2.409 149 E HA -0.041 4.309 4.350 0.000 0.000 0.198 149 E C 1.731 178.328 176.600 -0.004 0.000 1.024 149 E CA 1.350 57.749 56.400 -0.003 0.000 0.861 149 E CB 0.087 29.788 29.700 0.001 0.000 0.788 149 E HN 0.520 nan 8.360 nan 0.000 0.521 150 Q N -1.047 118.752 119.800 -0.003 0.000 2.127 150 Q HA 0.286 4.626 4.340 0.000 0.000 0.222 150 Q C -0.724 175.272 176.000 -0.006 0.000 0.794 150 Q CA -0.305 55.495 55.803 -0.004 0.000 1.010 150 Q CB 1.730 30.467 28.738 -0.001 0.000 1.170 150 Q HN 0.055 nan 8.270 nan 0.000 0.479 151 A N 1.400 124.214 122.820 -0.010 0.000 2.362 151 A HA 0.410 4.730 4.320 0.000 0.000 0.276 151 A C -0.363 177.210 177.584 -0.018 0.000 1.153 151 A CA 0.138 52.167 52.037 -0.013 0.000 0.813 151 A CB 0.395 19.384 19.000 -0.017 0.000 1.081 151 A HN 0.181 nan 8.150 nan 0.000 0.507 152 Q N 0.137 119.929 119.800 -0.014 0.000 2.397 152 Q HA 0.715 5.055 4.340 0.000 0.000 0.275 152 Q C -0.971 175.022 176.000 -0.011 0.000 1.090 152 Q CA -0.728 55.067 55.803 -0.013 0.000 0.809 152 Q CB 2.644 31.378 28.738 -0.007 0.000 1.362 152 Q HN 1.015 nan 8.270 nan 0.000 0.431 153 A N 0.936 123.749 122.820 -0.012 0.000 2.547 153 A HA 0.679 4.999 4.320 0.000 0.000 0.297 153 A C -1.203 176.378 177.584 -0.005 0.000 1.056 153 A CA -0.666 51.366 52.037 -0.007 0.000 0.688 153 A CB 1.651 20.642 19.000 -0.014 0.000 1.282 153 A HN 0.630 nan 8.150 nan 0.000 0.400 154 S N 1.597 117.299 115.700 0.003 0.000 2.539 154 S HA 0.557 5.027 4.470 0.000 0.000 0.235 154 S C -0.783 173.821 174.600 0.007 0.000 1.326 154 S CA -0.407 57.794 58.200 0.003 0.000 1.183 154 S CB 0.021 63.224 63.200 0.006 0.000 1.073 154 S HN 0.508 nan 8.310 nan 0.000 0.480 155 I N 3.146 123.716 120.570 -0.000 0.000 2.396 155 I HA 0.570 4.740 4.170 0.000 0.000 0.289 155 I C 0.510 176.618 176.117 -0.015 0.000 1.056 155 I CA -0.064 61.235 61.300 -0.001 0.000 1.365 155 I CB 0.702 38.700 38.000 -0.004 0.000 1.407 155 I HN 0.863 nan 8.210 nan 0.000 0.509 156 A N 4.511 127.314 122.820 -0.027 0.000 2.371 156 A HA 0.561 4.881 4.320 0.000 0.000 0.311 156 A C 0.182 177.678 177.584 -0.147 0.000 1.068 156 A CA -0.496 51.502 52.037 -0.066 0.000 0.744 156 A CB 0.783 19.753 19.000 -0.050 0.000 1.239 156 A HN 0.804 nan 8.150 nan 0.000 0.435 157 D N 0.648 120.940 120.400 -0.179 0.000 2.955 157 D HA -0.142 4.498 4.640 0.000 0.000 0.226 157 D C 0.453 176.623 176.300 -0.217 0.000 1.178 157 D CA 1.881 55.708 54.000 -0.288 0.000 0.808 157 D CB -1.019 39.360 40.800 -0.701 0.000 1.099 157 D HN 0.465 nan 8.370 nan 0.000 0.421 158 S N -0.869 114.772 115.700 -0.099 0.000 2.745 158 S HA 0.715 5.185 4.470 0.000 0.000 0.292 158 S C 0.524 175.120 174.600 -0.007 0.000 1.127 158 S CA -0.280 57.904 58.200 -0.026 0.000 1.007 158 S CB 2.272 65.476 63.200 0.007 0.000 1.165 158 S HN 0.310 nan 8.310 nan 0.000 0.544 159 T N -0.044 114.519 114.554 0.016 0.000 2.971 159 T HA 0.637 4.987 4.350 0.000 0.000 0.304 159 T C -1.524 173.188 174.700 0.021 0.000 1.038 159 T CA -0.875 61.235 62.100 0.016 0.000 1.007 159 T CB 0.584 69.463 68.868 0.019 0.000 1.055 159 T HN 0.208 nan 8.240 nan 0.000 0.451 160 L N 3.755 124.989 121.223 0.019 0.000 2.356 160 L HA 0.651 4.992 4.340 0.000 0.000 0.277 160 L C 0.057 176.943 176.870 0.026 0.000 0.996 160 L CA -0.622 54.231 54.840 0.022 0.000 0.822 160 L CB 1.077 43.150 42.059 0.022 0.000 1.256 160 L HN 1.052 nan 8.230 nan 0.000 0.413 161 Q N 1.308 121.125 119.800 0.028 0.000 2.605 161 Q HA 0.884 5.224 4.340 0.000 0.000 0.296 161 Q C -0.452 175.569 176.000 0.035 0.000 1.056 161 Q CA -0.939 54.883 55.803 0.031 0.000 0.778 161 Q CB 3.253 32.006 28.738 0.025 0.000 1.497 161 Q HN 0.750 nan 8.270 nan 0.000 0.443 162 G N -0.693 108.128 108.800 0.036 0.000 2.697 162 G HA2 0.223 4.183 3.960 0.000 0.000 0.684 162 G HA3 0.223 4.183 3.960 0.000 0.000 0.684 162 G C 0.033 174.960 174.900 0.045 0.000 1.274 162 G CA -0.289 44.835 45.100 0.039 0.000 0.806 162 G HN 1.058 nan 8.290 nan 0.000 0.644 163 A N 0.215 123.059 122.820 0.039 0.000 2.264 163 A HA 0.438 4.758 4.320 0.000 0.000 0.207 163 A C 2.219 179.827 177.584 0.041 0.000 1.196 163 A CA 2.220 54.280 52.037 0.038 0.000 0.778 163 A CB -0.278 18.736 19.000 0.023 0.000 0.779 163 A HN 2.159 nan 8.150 nan 0.000 0.483 164 G N -1.816 107.016 108.800 0.052 0.000 2.762 164 G HA2 0.424 4.384 3.960 0.000 0.000 0.209 164 G HA3 0.424 4.384 3.960 0.000 0.000 0.209 164 G C 1.055 176.013 174.900 0.098 0.000 1.134 164 G CA 0.598 45.729 45.100 0.051 0.000 0.781 164 G HN 1.485 nan 8.290 nan 0.000 0.528 165 G N -0.631 108.234 108.800 0.109 0.000 2.569 165 G HA2 -0.171 3.789 3.960 0.000 0.000 0.259 165 G HA3 -0.171 3.789 3.960 0.000 0.000 0.259 165 G C -0.230 174.748 174.900 0.130 0.000 1.263 165 G CA -0.041 45.136 45.100 0.129 0.000 0.928 165 G HN 0.889 nan 8.290 nan 0.000 0.572 166 V N 0.886 120.878 119.914 0.130 0.000 2.427 166 V HA 0.717 4.837 4.120 0.000 0.000 0.286 166 V C 0.636 176.807 176.094 0.129 0.000 1.034 166 V CA -0.191 62.169 62.300 0.100 0.000 0.893 166 V CB 1.555 33.405 31.823 0.046 0.000 0.982 166 V HN 0.817 nan 8.190 nan 0.000 0.452 167 R N 2.928 123.486 120.500 0.096 0.000 2.513 167 R HA 0.765 5.105 4.340 0.000 0.000 0.301 167 R C -1.648 174.568 176.300 -0.139 0.000 0.968 167 R CA -0.348 55.783 56.100 0.051 0.000 0.872 167 R CB 1.985 32.371 30.300 0.143 0.000 1.177 167 R HN 0.597 nan 8.270 nan 0.000 0.444 168 V N 4.080 123.921 119.914 -0.121 0.000 2.604 168 V HA 0.580 4.700 4.120 0.000 0.000 0.305 168 V C -0.441 175.561 176.094 -0.152 0.000 1.043 168 V CA -0.646 61.548 62.300 -0.177 0.000 0.888 168 V CB 1.722 33.486 31.823 -0.098 0.000 0.995 168 V HN 0.950 nan 8.190 nan 0.000 0.429 169 E N 2.887 122.976 120.200 -0.186 0.000 2.432 169 E HA 0.533 4.883 4.350 0.000 0.000 0.279 169 E C -0.961 175.596 176.600 -0.073 0.000 1.099 169 E CA -1.246 55.097 56.400 -0.095 0.000 0.859 169 E CB 1.382 31.049 29.700 -0.056 0.000 1.402 169 E HN 0.403 nan 8.360 nan 0.000 0.451 170 R N -0.357 120.128 120.500 -0.024 0.000 3.423 170 R HA -0.184 4.156 4.340 0.000 0.000 0.271 170 R C 0.579 176.872 176.300 -0.012 0.000 1.093 170 R CA 0.797 56.893 56.100 -0.006 0.000 0.730 170 R CB -2.327 27.978 30.300 0.010 0.000 1.190 170 R HN 1.382 nan 8.270 nan 0.000 0.437 171 G N -1.864 106.926 108.800 -0.016 0.000 2.131 171 G HA2 -0.186 3.774 3.960 0.000 0.000 0.223 171 G HA3 -0.186 3.774 3.960 0.000 0.000 0.223 171 G C 0.181 175.068 174.900 -0.023 0.000 0.990 171 G CA 0.148 45.239 45.100 -0.015 0.000 0.671 171 G HN 0.882 nan 8.290 nan 0.000 0.521 172 A N -0.239 122.559 122.820 -0.037 0.000 2.286 172 A HA 0.734 5.055 4.320 0.000 0.000 0.286 172 A C 0.251 177.812 177.584 -0.037 0.000 1.097 172 A CA -0.433 51.578 52.037 -0.043 0.000 0.821 172 A CB 0.551 19.509 19.000 -0.070 0.000 1.076 172 A HN 0.380 nan 8.150 nan 0.000 0.490 173 N N 0.255 118.936 118.700 -0.032 0.000 2.342 173 N HA 0.544 5.285 4.740 0.000 0.000 0.293 173 N C -1.539 173.954 175.510 -0.027 0.000 1.026 173 N CA -0.287 52.747 53.050 -0.027 0.000 0.857 173 N CB 2.147 40.622 38.487 -0.019 0.000 1.256 173 N HN 0.337 nan 8.380 nan 0.000 0.484 174 V N 1.035 120.933 119.914 -0.027 0.000 2.925 174 V HA 0.547 4.667 4.120 0.000 0.000 0.311 174 V C -0.411 175.672 176.094 -0.019 0.000 1.104 174 V CA -0.613 61.672 62.300 -0.024 0.000 0.954 174 V CB 2.265 34.070 31.823 -0.030 0.000 1.022 174 V HN 0.652 nan 8.190 nan 0.000 0.427 175 T N 2.334 116.879 114.554 -0.014 0.000 2.881 175 T HA 0.651 5.001 4.350 0.000 0.000 0.291 175 T C -0.795 173.898 174.700 -0.011 0.000 0.990 175 T CA -0.535 61.558 62.100 -0.012 0.000 0.976 175 T CB 1.650 70.513 68.868 -0.009 0.000 0.970 175 T HN 0.385 nan 8.240 nan 0.000 0.438 176 V N 3.531 123.438 119.914 -0.011 0.000 2.444 176 V HA 0.532 4.652 4.120 0.000 0.000 0.294 176 V C -0.443 175.644 176.094 -0.012 0.000 1.022 176 V CA -0.734 61.558 62.300 -0.012 0.000 0.850 176 V CB 1.668 33.483 31.823 -0.012 0.000 0.992 176 V HN 0.822 nan 8.190 nan 0.000 0.426 177 Q N 2.591 122.380 119.800 -0.018 0.000 2.375 177 Q HA 0.630 4.970 4.340 0.000 0.000 0.271 177 Q C -0.080 175.901 176.000 -0.031 0.000 1.074 177 Q CA -0.886 54.905 55.803 -0.019 0.000 0.808 177 Q CB 2.041 30.768 28.738 -0.018 0.000 1.327 177 Q HN 0.605 nan 8.270 nan 0.000 0.441 178 R N -0.097 120.390 120.500 -0.022 0.000 3.502 178 R HA -0.171 4.169 4.340 0.000 0.000 0.266 178 R C -0.655 175.623 176.300 -0.037 0.000 1.077 178 R CA 0.685 56.769 56.100 -0.028 0.000 0.718 178 R CB -2.217 28.060 30.300 -0.039 0.000 1.120 178 R HN 0.491 nan 8.270 nan 0.000 0.457 179 S N -1.064 114.621 115.700 -0.025 0.000 2.798 179 S HA 0.689 5.159 4.470 0.000 0.000 0.312 179 S C 0.044 174.638 174.600 -0.010 0.000 1.122 179 S CA -0.709 57.477 58.200 -0.023 0.000 0.949 179 S CB 2.347 65.534 63.200 -0.021 0.000 1.235 179 S HN 0.165 nan 8.310 nan 0.000 0.552 180 T N 1.409 115.961 114.554 -0.005 0.000 2.928 180 T HA 0.489 4.839 4.350 0.000 0.000 0.296 180 T C -0.839 173.865 174.700 0.008 0.000 1.000 180 T CA -0.333 61.768 62.100 0.002 0.000 0.989 180 T CB 0.616 69.483 68.868 -0.001 0.000 1.005 180 T HN 0.410 nan 8.240 nan 0.000 0.442 181 I N 3.561 124.138 120.570 0.011 0.000 2.306 181 I HA 0.185 4.355 4.170 0.000 0.000 0.288 181 I C 1.322 177.452 176.117 0.021 0.000 1.036 181 I CA -0.433 60.878 61.300 0.018 0.000 1.221 181 I CB 1.273 39.283 38.000 0.017 0.000 1.385 181 I HN 0.482 nan 8.210 nan 0.000 0.472 182 V N 4.838 124.765 119.914 0.022 0.000 2.379 182 V HA -0.147 3.973 4.120 0.000 0.000 0.245 182 V C 1.401 177.509 176.094 0.022 0.000 1.044 182 V CA 2.080 64.392 62.300 0.018 0.000 1.036 182 V CB -0.504 31.329 31.823 0.017 0.000 0.664 182 V HN 0.954 nan 8.190 nan 0.000 0.453 183 D N -2.292 118.128 120.400 0.032 0.000 2.204 183 D HA 0.078 4.718 4.640 0.000 0.000 0.337 183 D C 1.708 178.042 176.300 0.055 0.000 1.054 183 D CA 0.958 54.980 54.000 0.036 0.000 0.869 183 D CB 0.136 40.954 40.800 0.029 0.000 1.548 183 D HN 0.337 nan 8.370 nan 0.000 0.530 184 G N 0.387 109.229 108.800 0.071 0.000 2.796 184 G HA2 0.461 4.422 3.960 0.000 0.000 0.210 184 G HA3 0.461 4.422 3.960 0.000 0.000 0.210 184 G C 1.024 176.037 174.900 0.188 0.000 1.146 184 G CA 0.518 45.683 45.100 0.109 0.000 0.779 184 G HN 0.719 nan 8.290 nan 0.000 0.535 185 G N -0.858 108.011 108.800 0.116 0.000 2.796 185 G HA2 0.113 4.073 3.960 0.000 0.000 0.571 185 G HA3 0.113 4.073 3.960 0.000 0.000 0.571 185 G C -0.944 173.934 174.900 -0.036 0.000 1.370 185 G CA -0.195 44.927 45.100 0.036 0.000 0.856 185 G HN 0.992 nan 8.290 nan 0.000 0.538 186 L N 0.394 121.440 121.223 -0.295 0.000 2.346 186 L HA 0.903 5.243 4.340 0.000 0.000 0.276 186 L C -0.489 176.024 176.870 -0.595 0.000 1.006 186 L CA -1.116 53.570 54.840 -0.257 0.000 0.817 186 L CB 1.810 43.776 42.059 -0.153 0.000 1.272 186 L HN 0.753 nan 8.230 nan 0.000 0.421 187 H N 5.124 124.174 119.070 -0.033 0.000 3.172 187 H HA 0.556 5.112 4.556 0.000 0.000 0.322 187 H C -1.066 174.231 175.328 -0.051 0.000 1.003 187 H CA -0.329 55.691 56.048 -0.047 0.000 1.466 187 H CB 1.153 30.922 29.762 0.011 0.000 1.673 187 H HN 0.496 nan 8.280 nan 0.000 0.512 188 I N 2.757 123.317 120.570 -0.018 0.000 2.339 188 I HA 0.550 4.720 4.170 0.000 0.000 0.290 188 I C 0.920 177.045 176.117 0.013 0.000 0.994 188 I CA -0.184 61.103 61.300 -0.023 0.000 1.191 188 I CB 1.341 39.306 38.000 -0.058 0.000 1.343 188 I HN 0.885 nan 8.210 nan 0.000 0.458 189 G N 4.585 113.415 108.800 0.049 0.000 2.877 189 G HA2 -0.077 3.883 3.960 0.000 0.000 0.279 189 G HA3 -0.077 3.883 3.960 0.000 0.000 0.279 189 G C -0.347 174.688 174.900 0.225 0.000 1.431 189 G CA -0.240 44.923 45.100 0.106 0.000 0.883 189 G HN 0.823 nan 8.290 nan 0.000 0.547 190 T N -1.785 112.899 114.554 0.216 0.000 2.778 190 T HA 0.744 5.094 4.350 0.000 0.000 0.293 190 T C 0.555 175.309 174.700 0.091 0.000 1.144 190 T CA -0.522 61.711 62.100 0.222 0.000 1.010 190 T CB 1.459 70.398 68.868 0.118 0.000 1.325 190 T HN 0.863 nan 8.240 nan 0.000 0.515 191 L N 0.728 121.900 121.223 -0.084 0.000 2.642 191 L HA 0.434 4.774 4.340 0.000 0.000 0.229 191 L C 1.004 177.846 176.870 -0.046 0.000 1.179 191 L CA -1.251 53.525 54.840 -0.108 0.000 0.834 191 L CB 0.188 42.105 42.059 -0.237 0.000 1.515 191 L HN 0.663 nan 8.230 nan 0.000 0.512 192 Q N 2.844 122.619 119.800 -0.042 0.000 2.339 192 Q HA -0.045 4.295 4.340 0.000 0.000 0.308 192 Q C -2.213 173.779 176.000 -0.013 0.000 1.097 192 Q CA -0.561 55.231 55.803 -0.018 0.000 1.007 192 Q CB 0.378 29.105 28.738 -0.019 0.000 1.051 192 Q HN 0.221 nan 8.270 nan 0.000 0.381 193 P HA 0.110 nan 4.420 nan 0.000 0.214 193 P C -0.309 177.000 177.300 0.016 0.000 1.807 193 P CA -0.428 62.682 63.100 0.016 0.000 0.921 193 P CB 0.054 31.775 31.700 0.035 0.000 1.835 194 L N -1.898 119.328 121.223 0.006 0.000 4.232 194 L HA -0.222 4.118 4.340 0.000 0.000 0.415 194 L C 0.295 177.170 176.870 0.009 0.000 1.168 194 L CA 1.487 56.331 54.840 0.007 0.000 0.966 194 L CB -2.960 39.105 42.059 0.010 0.000 2.052 194 L HN 0.505 nan 8.230 nan 0.000 0.887 195 Q N -2.304 117.501 119.800 0.010 0.000 2.578 195 Q HA 0.577 4.917 4.340 0.000 0.000 0.284 195 Q C -2.836 173.171 176.000 0.011 0.000 0.960 195 Q CA -1.733 54.077 55.803 0.011 0.000 0.809 195 Q CB 1.529 30.276 28.738 0.015 0.000 1.462 195 Q HN -0.027 nan 8.270 nan 0.000 0.392 196 P HA -0.048 nan 4.420 nan 0.000 0.255 196 P C -0.743 176.564 177.300 0.012 0.000 1.161 196 P CA 0.588 63.694 63.100 0.010 0.000 0.768 196 P CB 0.230 31.935 31.700 0.009 0.000 0.746 197 E N 2.756 122.963 120.200 0.012 0.000 2.166 197 E HA -0.004 4.346 4.350 0.000 0.000 0.279 197 E C 1.011 177.618 176.600 0.012 0.000 1.095 197 E CA 0.049 56.458 56.400 0.015 0.000 0.888 197 E CB 0.188 29.899 29.700 0.018 0.000 1.041 197 E HN 0.414 nan 8.360 nan 0.000 0.414 198 D N 3.808 124.216 120.400 0.013 0.000 2.084 198 D HA -0.101 4.539 4.640 0.000 0.000 0.199 198 D C 0.925 177.229 176.300 0.007 0.000 0.981 198 D CA 1.422 55.427 54.000 0.010 0.000 0.841 198 D CB 0.247 41.053 40.800 0.010 0.000 0.997 198 D HN 0.455 nan 8.370 nan 0.000 0.454 199 L N -2.374 118.854 121.223 0.009 0.000 1.243 199 L HA 0.085 4.425 4.340 0.000 0.000 0.062 199 L C -1.971 174.903 176.870 0.006 0.000 1.505 199 L CA -0.364 54.480 54.840 0.006 0.000 1.129 199 L CB -0.566 41.495 42.059 0.003 0.000 2.290 199 L HN -0.105 nan 8.230 nan 0.000 0.443 200 P HA 0.143 nan 4.420 nan 0.000 0.261 200 P C -2.458 174.842 177.300 -0.000 0.000 1.203 200 P CA -0.480 62.620 63.100 0.001 0.000 0.767 200 P CB -0.126 31.574 31.700 0.001 0.000 0.785 201 P HA 0.069 nan 4.420 nan 0.000 0.271 201 P C -0.519 176.775 177.300 -0.010 0.000 1.218 201 P CA 0.010 63.107 63.100 -0.004 0.000 0.780 201 P CB 0.805 32.501 31.700 -0.006 0.000 0.901 202 S N 2.306 117.999 115.700 -0.012 0.000 2.508 202 S HA 0.425 4.895 4.470 0.000 0.000 0.284 202 S C 0.091 174.677 174.600 -0.022 0.000 1.192 202 S CA -0.694 57.493 58.200 -0.021 0.000 1.070 202 S CB 0.626 63.810 63.200 -0.027 0.000 1.004 202 S HN 0.312 nan 8.310 nan 0.000 0.493 203 R N 1.575 122.060 120.500 -0.025 0.000 2.437 203 R HA 0.681 5.021 4.340 0.000 0.000 0.310 203 R C -1.530 174.754 176.300 -0.027 0.000 0.955 203 R CA -0.693 55.393 56.100 -0.024 0.000 0.851 203 R CB 1.574 31.861 30.300 -0.022 0.000 1.161 203 R HN 0.326 nan 8.270 nan 0.000 0.446 204 V N 3.649 123.547 119.914 -0.027 0.000 2.577 204 V HA 0.374 4.494 4.120 0.000 0.000 0.303 204 V C -0.513 175.569 176.094 -0.020 0.000 1.042 204 V CA -0.840 61.444 62.300 -0.027 0.000 0.872 204 V CB 2.217 34.019 31.823 -0.035 0.000 0.998 204 V HN 0.477 nan 8.190 nan 0.000 0.423 205 V N 6.029 125.932 119.914 -0.017 0.000 2.495 205 V HA 0.558 4.678 4.120 0.000 0.000 0.298 205 V C -0.381 175.708 176.094 -0.008 0.000 1.031 205 V CA -0.580 61.713 62.300 -0.010 0.000 0.871 205 V CB 1.879 33.695 31.823 -0.011 0.000 0.988 205 V HN 0.623 nan 8.190 nan 0.000 0.432 206 L N 4.158 125.379 121.223 -0.002 0.000 2.349 206 L HA 0.694 5.034 4.340 0.000 0.000 0.278 206 L C 0.531 177.404 176.870 0.005 0.000 0.996 206 L CA -0.371 54.468 54.840 -0.002 0.000 0.825 206 L CB 1.895 43.952 42.059 -0.004 0.000 1.243 206 L HN 0.802 nan 8.230 nan 0.000 0.412 207 G N 0.790 109.592 108.800 0.003 0.000 2.335 207 G HA2 0.346 4.306 3.960 0.000 0.000 0.316 207 G HA3 0.346 4.306 3.960 0.000 0.000 0.316 207 G C -0.137 174.768 174.900 0.009 0.000 1.129 207 G CA -0.498 44.606 45.100 0.006 0.000 0.899 207 G HN 0.907 nan 8.290 nan 0.000 0.448 208 D N 1.659 122.069 120.400 0.017 0.000 8.055 208 D HA -0.095 4.545 4.640 0.000 0.000 0.185 208 D C 0.972 177.286 176.300 0.023 0.000 1.453 208 D CA 0.889 54.906 54.000 0.028 0.000 0.911 208 D CB -0.614 40.208 40.800 0.036 0.000 1.701 208 D HN 0.400 nan 8.370 nan 0.000 0.977 209 T N -1.108 113.459 114.554 0.021 0.000 2.892 209 T HA 0.691 5.041 4.350 0.000 0.000 0.280 209 T C 0.054 174.776 174.700 0.037 0.000 1.004 209 T CA -0.577 61.533 62.100 0.016 0.000 0.950 209 T CB 1.701 70.572 68.868 0.005 0.000 1.309 209 T HN 0.668 nan 8.240 nan 0.000 0.592 210 S N -0.210 115.509 115.700 0.030 0.000 2.776 210 S HA 0.522 4.992 4.470 0.000 0.000 0.284 210 S C -0.953 173.669 174.600 0.035 0.000 1.160 210 S CA -0.859 57.373 58.200 0.053 0.000 1.051 210 S CB 0.689 63.921 63.200 0.052 0.000 1.037 210 S HN 0.711 nan 8.310 nan 0.000 0.485 211 V N 3.713 123.647 119.914 0.034 0.000 2.432 211 V HA 0.562 4.682 4.120 0.000 0.000 0.275 211 V C 0.199 176.310 176.094 0.029 0.000 1.043 211 V CA 0.077 62.388 62.300 0.017 0.000 0.925 211 V CB 1.201 33.019 31.823 -0.008 0.000 0.985 211 V HN 1.023 nan 8.190 nan 0.000 0.466 212 T N 3.586 118.155 114.554 0.026 0.000 2.887 212 T HA 0.759 5.109 4.350 0.000 0.000 0.288 212 T C -0.269 174.453 174.700 0.036 0.000 1.021 212 T CA -0.501 61.618 62.100 0.030 0.000 1.000 212 T CB 1.915 70.796 68.868 0.022 0.000 1.034 212 T HN 0.839 nan 8.240 nan 0.000 0.467 213 A N 2.275 125.120 122.820 0.043 0.000 2.702 213 A HA 0.624 4.945 4.320 0.000 0.000 0.305 213 A C -0.073 177.538 177.584 0.044 0.000 1.213 213 A CA -0.604 51.469 52.037 0.060 0.000 0.745 213 A CB 0.196 19.249 19.000 0.087 0.000 1.161 213 A HN 0.703 nan 8.150 nan 0.000 0.445 214 V N 4.090 124.022 119.914 0.031 0.000 2.788 214 V HA 0.032 4.152 4.120 0.000 0.000 0.307 214 V C -0.761 175.342 176.094 0.016 0.000 1.069 214 V CA -0.305 62.003 62.300 0.014 0.000 1.173 214 V CB 0.592 32.422 31.823 0.012 0.000 0.925 214 V HN 0.786 nan 8.190 nan 0.000 0.492 215 P HA -0.245 nan 4.420 nan 0.000 0.216 215 P C 1.493 178.798 177.300 0.007 0.000 1.153 215 P CA 2.090 65.191 63.100 0.002 0.000 0.858 215 P CB 0.093 31.785 31.700 -0.014 0.000 0.789 216 A N 0.934 123.757 122.820 0.004 0.000 1.997 216 A HA -0.234 4.086 4.320 0.000 0.000 0.221 216 A C 2.384 179.973 177.584 0.009 0.000 1.172 216 A CA 2.687 54.727 52.037 0.004 0.000 0.645 216 A CB -1.679 17.324 19.000 0.004 0.000 0.813 216 A HN 0.440 nan 8.150 nan 0.000 0.454 217 S N -1.937 113.774 115.700 0.018 0.000 2.555 217 S HA 0.304 4.774 4.470 0.000 0.000 0.230 217 S C 1.716 176.326 174.600 0.018 0.000 0.978 217 S CA 1.126 59.340 58.200 0.023 0.000 0.934 217 S CB -0.553 62.672 63.200 0.041 0.000 0.766 217 S HN 1.959 nan 8.310 nan 0.000 0.533 218 G N 1.580 110.391 108.800 0.018 0.000 2.480 218 G HA2 -0.306 3.654 3.960 0.000 0.000 0.246 218 G HA3 -0.306 3.654 3.960 0.000 0.000 0.246 218 G C 0.515 175.433 174.900 0.031 0.000 1.073 218 G CA 0.164 45.272 45.100 0.013 0.000 0.643 218 G HN 1.680 nan 8.290 nan 0.000 0.525 219 A N 1.608 124.457 122.820 0.049 0.000 2.608 219 A HA 0.387 4.707 4.320 0.000 0.000 0.239 219 A C 0.190 177.848 177.584 0.123 0.000 1.018 219 A CA 1.015 53.111 52.037 0.099 0.000 0.766 219 A CB 0.308 19.415 19.000 0.177 0.000 0.928 219 A HN 0.402 nan 8.150 nan 0.000 0.512 220 P HA 0.134 nan 4.420 nan 0.000 0.221 220 P C 0.319 177.701 177.300 0.137 0.000 1.155 220 P CA 1.662 64.835 63.100 0.121 0.000 0.812 220 P CB 0.243 32.014 31.700 0.119 0.000 0.801 221 A N -1.014 121.902 122.820 0.160 0.000 2.414 221 A HA 0.667 4.987 4.320 0.000 0.000 0.306 221 A C 1.192 178.827 177.584 0.085 0.000 1.054 221 A CA -0.028 52.074 52.037 0.108 0.000 0.724 221 A CB 1.351 20.372 19.000 0.036 0.000 1.267 221 A HN 0.025 nan 8.150 nan 0.000 0.418 222 A N 1.437 124.305 122.820 0.080 0.000 1.883 222 A HA 0.271 4.591 4.320 0.000 0.000 0.217 222 A C 0.834 178.341 177.584 -0.128 0.000 1.186 222 A CA 2.111 54.164 52.037 0.027 0.000 0.624 222 A CB -0.457 18.595 19.000 0.087 0.000 0.822 222 A HN 1.206 nan 8.150 nan 0.000 0.444 223 V N -0.102 119.727 119.914 -0.141 0.000 2.680 223 V HA 0.598 4.718 4.120 0.000 0.000 0.309 223 V C -0.454 175.483 176.094 -0.262 0.000 1.052 223 V CA -0.016 62.138 62.300 -0.244 0.000 0.908 223 V CB 1.703 33.433 31.823 -0.156 0.000 1.001 223 V HN 0.610 nan 8.190 nan 0.000 0.431 224 S N 2.722 118.209 115.700 -0.356 0.000 2.572 224 S HA 0.804 5.274 4.470 0.000 0.000 0.274 224 S C -1.333 172.972 174.600 -0.492 0.000 1.150 224 S CA -0.667 57.273 58.200 -0.432 0.000 0.944 224 S CB 1.832 64.787 63.200 -0.408 0.000 1.071 224 S HN 0.540 nan 8.310 nan 0.000 0.479 225 V N 3.732 123.314 119.914 -0.553 0.000 2.409 225 V HA 0.532 4.652 4.120 0.000 0.000 0.290 225 V C -1.149 174.702 176.094 -0.405 0.000 1.017 225 V CA -0.496 61.574 62.300 -0.384 0.000 0.841 225 V CB 0.398 32.110 31.823 -0.186 0.000 1.003 225 V HN 0.898 nan 8.190 nan 0.000 0.426 226 F N 2.561 122.520 119.950 0.015 0.000 2.450 226 F HA 0.846 5.373 4.527 0.000 0.000 0.332 226 F C 1.008 176.812 175.800 0.007 0.000 1.093 226 F CA 0.104 58.112 58.000 0.013 0.000 1.003 226 F CB 2.074 41.087 39.000 0.021 0.000 1.151 226 F HN 0.851 nan 8.300 nan 0.000 0.474 227 G N 1.072 109.992 108.800 0.200 0.000 2.698 227 G HA2 0.061 4.021 3.960 0.000 0.000 0.225 227 G HA3 0.061 4.021 3.960 0.000 0.000 0.225 227 G C -0.502 174.434 174.900 0.060 0.000 1.345 227 G CA -0.637 44.527 45.100 0.106 0.000 0.871 227 G HN 1.213 nan 8.290 nan 0.000 0.540 228 A N 1.140 123.982 122.820 0.038 0.000 3.052 228 A HA 0.519 4.839 4.320 0.000 0.000 0.266 228 A C 0.642 178.232 177.584 0.011 0.000 1.855 228 A CA 0.363 52.411 52.037 0.019 0.000 1.473 228 A CB -0.908 18.099 19.000 0.012 0.000 1.038 228 A HN 0.698 nan 8.150 nan 0.000 0.619 229 N N 0.563 119.268 118.700 0.008 0.000 2.262 229 N HA 0.376 5.116 4.740 0.000 0.000 0.295 229 N C -1.191 174.311 175.510 -0.014 0.000 1.161 229 N CA -0.531 52.516 53.050 -0.004 0.000 0.767 229 N CB 1.719 40.203 38.487 -0.005 0.000 1.499 229 N HN 0.508 nan 8.380 nan 0.000 0.476 230 E N 0.691 120.881 120.200 -0.017 0.000 2.183 230 E HA 0.503 4.853 4.350 0.000 0.000 0.271 230 E C -0.971 175.616 176.600 -0.022 0.000 0.919 230 E CA -0.726 55.664 56.400 -0.017 0.000 0.781 230 E CB 2.131 31.821 29.700 -0.015 0.000 1.140 230 E HN 0.239 nan 8.360 nan 0.000 0.402 231 L N 2.160 123.373 121.223 -0.018 0.000 2.376 231 L HA 0.442 4.782 4.340 0.000 0.000 0.275 231 L C -1.193 175.685 176.870 0.013 0.000 0.987 231 L CA -0.098 54.732 54.840 -0.018 0.000 0.828 231 L CB 1.980 44.015 42.059 -0.041 0.000 1.249 231 L HN 0.418 nan 8.230 nan 0.000 0.409 232 T N 4.682 119.247 114.554 0.018 0.000 2.756 232 T HA 0.592 4.943 4.350 0.000 0.000 0.290 232 T C -0.439 174.287 174.700 0.045 0.000 0.985 232 T CA -0.354 61.780 62.100 0.057 0.000 0.955 232 T CB 1.222 70.105 68.868 0.026 0.000 0.930 232 T HN 0.350 nan 8.240 nan 0.000 0.451 233 V N 3.461 123.409 119.914 0.057 0.000 2.435 233 V HA 0.426 4.546 4.120 0.000 0.000 0.290 233 V C -0.202 175.920 176.094 0.048 0.000 1.030 233 V CA -0.706 61.612 62.300 0.029 0.000 0.881 233 V CB 1.783 33.604 31.823 -0.003 0.000 0.983 233 V HN 0.812 nan 8.190 nan 0.000 0.445 234 D N 3.759 124.180 120.400 0.035 0.000 2.408 234 D HA 0.515 5.155 4.640 0.000 0.000 0.261 234 D C 0.258 176.572 176.300 0.023 0.000 1.190 234 D CA 0.708 54.730 54.000 0.036 0.000 0.910 234 D CB 1.273 42.095 40.800 0.038 0.000 1.097 234 D HN 0.946 nan 8.370 nan 0.000 0.522 235 G N 1.629 110.437 108.800 0.015 0.000 2.757 235 G HA2 0.397 4.358 3.960 0.000 0.000 0.686 235 G HA3 0.397 4.358 3.960 0.000 0.000 0.686 235 G C 0.207 175.126 174.900 0.031 0.000 1.452 235 G CA -0.262 44.848 45.100 0.018 0.000 0.922 235 G HN 1.100 nan 8.290 nan 0.000 0.588 236 G N -0.049 108.784 108.800 0.055 0.000 2.347 236 G HA2 0.503 4.463 3.960 0.000 0.000 0.477 236 G HA3 0.503 4.463 3.960 0.000 0.000 0.477 236 G C -1.091 173.875 174.900 0.111 0.000 1.349 236 G CA 0.158 45.331 45.100 0.122 0.000 1.000 236 G HN 1.727 nan 8.290 nan 0.000 0.605 237 H N -0.171 118.899 119.070 -0.000 0.000 2.673 237 H HA 0.559 5.115 4.556 0.000 0.000 0.293 237 H C 0.495 175.826 175.328 0.006 0.000 1.065 237 H CA -0.412 55.638 56.048 0.003 0.000 1.236 237 H CB 0.688 30.450 29.762 -0.000 0.000 1.389 237 H HN 0.500 nan 8.280 nan 0.000 0.481 238 I N 2.825 123.428 120.570 0.055 0.000 2.337 238 I HA 0.190 4.360 4.170 0.000 0.000 0.291 238 I C 0.476 176.640 176.117 0.079 0.000 1.046 238 I CA 0.182 61.515 61.300 0.055 0.000 1.324 238 I CB 0.693 38.710 38.000 0.030 0.000 1.409 238 I HN 0.460 nan 8.210 nan 0.000 0.494 239 T N 4.029 118.631 114.554 0.080 0.000 2.933 239 T HA 0.760 5.110 4.350 0.000 0.000 0.305 239 T C -0.215 174.516 174.700 0.052 0.000 1.092 239 T CA 0.350 62.486 62.100 0.061 0.000 1.008 239 T CB 1.493 70.387 68.868 0.044 0.000 1.102 239 T HN 1.025 nan 8.240 nan 0.000 0.469 240 G N 1.967 110.781 108.800 0.024 0.000 2.358 240 G HA2 0.465 4.425 3.960 0.000 0.000 0.198 240 G HA3 0.465 4.425 3.960 0.000 0.000 0.198 240 G C 0.428 175.440 174.900 0.188 0.000 1.220 240 G CA 0.421 45.541 45.100 0.034 0.000 1.187 240 G HN 2.506 nan 8.290 nan 0.000 0.544 241 G N -0.947 107.974 108.800 0.201 0.000 2.977 241 G HA2 0.266 4.226 3.960 0.000 0.000 0.686 241 G HA3 0.266 4.226 3.960 0.000 0.000 0.686 241 G C 0.421 175.508 174.900 0.312 0.000 1.088 241 G CA 0.891 46.167 45.100 0.295 0.000 0.845 241 G HN 1.839 nan 8.290 nan 0.000 0.565 242 R N 2.052 122.676 120.500 0.207 0.000 2.062 242 R HA 0.271 4.611 4.340 0.000 0.000 0.229 242 R C 2.766 179.200 176.300 0.224 0.000 1.128 242 R CA 3.206 59.403 56.100 0.162 0.000 0.960 242 R CB -0.358 29.997 30.300 0.092 0.000 0.855 242 R HN 1.286 nan 8.270 nan 0.000 0.432 243 A N -1.217 121.694 122.820 0.152 0.000 1.984 243 A HA 0.646 4.966 4.320 0.000 0.000 0.203 243 A C 0.612 178.022 177.584 -0.290 0.000 1.292 243 A CA 0.488 52.515 52.037 -0.017 0.000 0.782 243 A CB 0.079 19.049 19.000 -0.050 0.000 0.924 243 A HN 0.407 nan 8.150 nan 0.000 0.475 244 A N -2.081 120.600 122.820 -0.232 0.000 2.532 244 A HA 0.617 4.937 4.320 0.000 0.000 0.290 244 A C 0.949 178.426 177.584 -0.179 0.000 1.143 244 A CA 0.129 51.833 52.037 -0.556 0.000 0.728 244 A CB 0.358 19.192 19.000 -0.276 0.000 1.317 244 A HN 0.637 nan 8.150 nan 0.000 0.414 245 G N -0.732 107.896 108.800 -0.286 0.000 2.473 245 G HA2 0.377 4.337 3.960 0.000 0.000 0.212 245 G HA3 0.377 4.337 3.960 0.000 0.000 0.212 245 G C 0.062 174.964 174.900 0.004 0.000 1.211 245 G CA 1.054 46.251 45.100 0.160 0.000 0.813 245 G HN 0.865 nan 8.290 nan 0.000 0.541 246 V N 0.902 120.765 119.914 -0.086 0.000 2.459 246 V HA 0.726 4.846 4.120 0.000 0.000 0.295 246 V C -0.290 175.731 176.094 -0.121 0.000 1.029 246 V CA -0.696 61.543 62.300 -0.102 0.000 0.874 246 V CB 1.369 33.136 31.823 -0.093 0.000 0.985 246 V HN 0.530 nan 8.190 nan 0.000 0.438 247 A N 3.890 126.626 122.820 -0.140 0.000 2.319 247 A HA 0.927 5.247 4.320 0.000 0.000 0.310 247 A C -0.219 177.250 177.584 -0.191 0.000 1.152 247 A CA -0.366 51.597 52.037 -0.125 0.000 0.783 247 A CB 1.333 20.288 19.000 -0.074 0.000 1.184 247 A HN 1.325 nan 8.150 nan 0.000 0.474 248 A N 3.204 125.963 122.820 -0.103 0.000 2.335 248 A HA 0.837 5.157 4.320 0.000 0.000 0.304 248 A C -0.519 177.078 177.584 0.020 0.000 1.118 248 A CA -0.303 51.682 52.037 -0.087 0.000 0.757 248 A CB 0.682 19.639 19.000 -0.071 0.000 1.188 248 A HN 0.856 nan 8.150 nan 0.000 0.460 249 M N 0.634 120.299 119.600 0.109 0.000 2.618 249 M HA 0.359 4.840 4.480 0.000 0.000 0.281 249 M C -0.575 175.835 176.300 0.183 0.000 1.267 249 M CA -0.397 55.023 55.300 0.200 0.000 0.845 249 M CB 2.261 35.077 32.600 0.359 0.000 1.732 249 M HN 0.865 nan 8.290 nan 0.000 0.461 250 D N 1.305 121.775 120.400 0.117 0.000 2.686 250 D HA -0.128 4.512 4.640 0.000 0.000 0.235 250 D C 0.511 176.848 176.300 0.062 0.000 1.160 250 D CA 2.007 56.055 54.000 0.079 0.000 0.645 250 D CB -0.748 40.100 40.800 0.080 0.000 1.039 250 D HN 1.129 nan 8.370 nan 0.000 0.423 251 G N -1.650 107.176 108.800 0.043 0.000 2.165 251 G HA2 0.066 4.026 3.960 0.000 0.000 0.226 251 G HA3 0.066 4.026 3.960 0.000 0.000 0.226 251 G C 0.389 175.300 174.900 0.019 0.000 1.035 251 G CA 0.137 45.251 45.100 0.023 0.000 0.744 251 G HN 1.090 nan 8.290 nan 0.000 0.501 252 A N -0.531 122.300 122.820 0.019 0.000 2.304 252 A HA 0.827 5.147 4.320 0.000 0.000 0.271 252 A C 0.365 177.945 177.584 -0.006 0.000 1.091 252 A CA -0.139 51.899 52.037 0.002 0.000 0.812 252 A CB 0.597 19.587 19.000 -0.016 0.000 1.056 252 A HN 0.899 nan 8.150 nan 0.000 0.489 253 I N 1.406 121.970 120.570 -0.009 0.000 2.411 253 I HA 0.352 4.522 4.170 0.000 0.000 0.284 253 I C -1.104 175.013 176.117 -0.001 0.000 1.012 253 I CA -0.482 60.817 61.300 -0.003 0.000 1.119 253 I CB 1.813 39.814 38.000 0.001 0.000 1.261 253 I HN 0.227 nan 8.210 nan 0.000 0.448 254 V N 5.484 125.399 119.914 0.001 0.000 2.407 254 V HA 0.284 4.404 4.120 0.000 0.000 0.291 254 V C -0.315 175.799 176.094 0.034 0.000 1.018 254 V CA -0.570 61.730 62.300 0.001 0.000 0.842 254 V CB 1.684 33.482 31.823 -0.041 0.000 0.996 254 V HN 0.626 nan 8.190 nan 0.000 0.426 255 H N 6.456 125.502 119.070 -0.039 0.000 2.661 255 H HA 0.465 5.021 4.556 0.000 0.000 0.290 255 H C -1.162 174.146 175.328 -0.034 0.000 1.082 255 H CA -0.495 55.533 56.048 -0.034 0.000 1.234 255 H CB 1.079 30.824 29.762 -0.028 0.000 1.387 255 H HN 0.509 nan 8.280 nan 0.000 0.476 256 L N 5.397 126.460 121.223 -0.268 0.000 2.255 256 L HA 0.270 4.610 4.340 0.000 0.000 0.289 256 L C 0.090 176.809 176.870 -0.252 0.000 1.046 256 L CA -0.226 54.502 54.840 -0.186 0.000 0.816 256 L CB 1.327 43.306 42.059 -0.133 0.000 1.197 256 L HN 0.499 nan 8.230 nan 0.000 0.427 257 Q N 4.332 124.054 119.800 -0.130 0.000 2.327 257 Q HA 0.328 4.668 4.340 0.000 0.000 0.270 257 Q C 0.235 176.214 176.000 -0.035 0.000 1.022 257 Q CA -0.636 55.118 55.803 -0.082 0.000 0.773 257 Q CB 1.144 29.910 28.738 0.048 0.000 1.251 257 Q HN 0.517 nan 8.270 nan 0.000 0.457 258 R N 1.483 121.957 120.500 -0.044 0.000 3.758 258 R HA -0.249 4.092 4.340 0.000 0.000 0.299 258 R C -1.057 175.215 176.300 -0.046 0.000 1.182 258 R CA 0.660 56.739 56.100 -0.034 0.000 0.809 258 R CB -1.572 28.723 30.300 -0.010 0.000 1.249 258 R HN 0.647 nan 8.270 nan 0.000 0.497 259 A N 0.074 122.858 122.820 -0.061 0.000 2.287 259 A HA 0.522 4.843 4.320 0.000 0.000 0.273 259 A C 0.370 177.883 177.584 -0.117 0.000 1.091 259 A CA 0.559 52.551 52.037 -0.076 0.000 0.817 259 A CB 1.051 20.014 19.000 -0.061 0.000 1.069 259 A HN 0.369 nan 8.150 nan 0.000 0.492 260 T N 0.012 114.452 114.554 -0.189 0.000 2.879 260 T HA 0.621 4.971 4.350 0.000 0.000 0.290 260 T C -0.988 173.625 174.700 -0.146 0.000 0.993 260 T CA -0.355 61.612 62.100 -0.220 0.000 0.975 260 T CB 0.153 68.791 68.868 -0.383 0.000 0.981 260 T HN 0.426 nan 8.240 nan 0.000 0.439 261 I N 4.401 124.947 120.570 -0.039 0.000 2.420 261 I HA 0.543 4.713 4.170 0.000 0.000 0.282 261 I C 0.281 176.481 176.117 0.138 0.000 1.019 261 I CA -0.643 60.699 61.300 0.070 0.000 1.130 261 I CB 1.467 39.528 38.000 0.100 0.000 1.262 261 I HN 0.509 nan 8.210 nan 0.000 0.454 262 R N 3.681 124.235 120.500 0.090 0.000 2.888 262 R HA 0.519 4.859 4.340 0.000 0.000 0.266 262 R C 0.810 176.920 176.300 -0.317 0.000 1.020 262 R CA -0.838 55.237 56.100 -0.040 0.000 0.963 262 R CB 2.529 32.794 30.300 -0.060 0.000 1.197 262 R HN 0.493 nan 8.270 nan 0.000 0.481 263 R N 0.656 120.697 120.500 -0.764 0.000 2.078 263 R HA 0.038 4.378 4.340 0.000 0.000 0.224 263 R C 0.328 176.318 176.300 -0.517 0.000 1.149 263 R CA 1.827 57.239 56.100 -1.147 0.000 0.916 263 R CB -0.396 29.168 30.300 -1.226 0.000 0.821 263 R HN 0.876 nan 8.270 nan 0.000 0.434 293 W N 3.994 125.127 121.300 -0.280 0.000 2.417 293 W HA 0.772 5.432 4.660 0.000 0.000 0.317 293 W C -1.273 175.130 176.519 -0.192 0.000 1.121 293 W CA -0.804 56.367 57.345 -0.289 0.000 1.208 293 W CB 1.030 30.421 29.460 -0.115 0.000 1.253 293 W HN 0.429 nan 8.180 nan 0.000 0.533 294 Y N 4.226 124.065 120.300 -0.769 0.000 2.409 294 Y HA 0.423 4.973 4.550 0.000 0.000 0.339 294 Y C 1.121 176.163 175.900 -1.430 0.000 1.033 294 Y CA -1.162 56.480 58.100 -0.763 0.000 1.094 294 Y CB 1.245 39.439 38.460 -0.442 0.000 1.210 294 Y HN 0.637 nan 8.280 nan 0.000 0.456 295 G N 1.404 109.781 108.800 -0.705 0.000 2.464 295 G HA2 0.035 3.995 3.960 0.000 0.000 0.214 295 G HA3 0.035 3.995 3.960 0.000 0.000 0.214 295 G C -0.232 174.454 174.900 -0.358 0.000 1.218 295 G CA 0.655 45.423 45.100 -0.553 0.000 0.794 295 G HN 0.370 nan 8.290 nan 0.000 0.542 296 V N 0.776 120.554 119.914 -0.226 0.000 2.588 296 V HA 0.418 4.539 4.120 0.000 0.000 0.304 296 V C -1.437 174.567 176.094 -0.150 0.000 1.042 296 V CA -0.937 61.265 62.300 -0.163 0.000 0.877 296 V CB 2.058 33.811 31.823 -0.117 0.000 0.996 296 V HN 0.292 nan 8.190 nan 0.000 0.425 297 D N 3.383 123.714 120.400 -0.115 0.000 2.492 297 D HA 0.620 5.260 4.640 0.000 0.000 0.248 297 D C -0.921 175.347 176.300 -0.053 0.000 1.101 297 D CA 0.025 53.980 54.000 -0.075 0.000 0.840 297 D CB 2.275 43.075 40.800 -0.001 0.000 1.209 297 D HN 0.305 nan 8.370 nan 0.000 0.524 298 V N 1.772 121.651 119.914 -0.058 0.000 3.181 298 V HA 0.693 4.813 4.120 0.000 0.000 0.314 298 V C 0.416 176.501 176.094 -0.015 0.000 1.173 298 V CA -0.562 61.717 62.300 -0.035 0.000 1.052 298 V CB 1.790 33.583 31.823 -0.050 0.000 1.123 298 V HN 0.611 nan 8.190 nan 0.000 0.454 299 S N -0.384 115.314 115.700 -0.004 0.000 4.261 299 S HA 0.249 4.719 4.470 0.000 0.000 0.232 299 S C -0.626 173.978 174.600 0.006 0.000 1.122 299 S CA 0.359 58.569 58.200 0.015 0.000 1.487 299 S CB 0.715 63.944 63.200 0.049 0.000 1.550 299 S HN 1.086 nan 8.310 nan 0.000 0.699 300 D N 1.326 121.736 120.400 0.017 0.000 2.894 300 D HA 0.452 5.092 4.640 0.000 0.000 0.273 300 D C -0.631 175.672 176.300 0.006 0.000 1.328 300 D CA -0.157 53.849 54.000 0.009 0.000 0.845 300 D CB 0.019 40.828 40.800 0.015 0.000 1.072 300 D HN 0.280 nan 8.370 nan 0.000 0.484 301 S N -1.611 114.089 115.700 0.001 0.000 2.579 301 S HA 0.510 4.980 4.470 0.000 0.000 0.272 301 S C -0.474 174.118 174.600 -0.013 0.000 1.141 301 S CA -1.062 57.137 58.200 -0.002 0.000 0.843 301 S CB 1.479 64.683 63.200 0.006 0.000 1.122 301 S HN 0.037 nan 8.310 nan 0.000 0.468 302 T N 1.783 116.330 114.554 -0.012 0.000 2.749 302 T HA 0.580 4.930 4.350 0.000 0.000 0.295 302 T C -0.681 174.009 174.700 -0.017 0.000 0.936 302 T CA -0.283 61.809 62.100 -0.013 0.000 1.060 302 T CB 0.504 69.369 68.868 -0.005 0.000 0.904 302 T HN 0.488 nan 8.240 nan 0.000 0.500 303 V N 4.360 124.257 119.914 -0.029 0.000 2.577 303 V HA 0.399 4.519 4.120 0.000 0.000 0.303 303 V C -0.556 175.505 176.094 -0.054 0.000 1.042 303 V CA -0.927 61.347 62.300 -0.043 0.000 0.872 303 V CB 2.127 33.914 31.823 -0.060 0.000 0.998 303 V HN 0.840 nan 8.190 nan 0.000 0.423 304 D N 4.090 124.446 120.400 -0.074 0.000 2.391 304 D HA 0.491 5.131 4.640 0.000 0.000 0.245 304 D C -1.147 175.017 176.300 -0.226 0.000 1.069 304 D CA -0.380 53.550 54.000 -0.118 0.000 0.831 304 D CB 2.708 43.476 40.800 -0.054 0.000 1.204 304 D HN 0.217 nan 8.370 nan 0.000 0.503 305 L N 2.436 123.556 121.223 -0.171 0.000 2.313 305 L HA 0.393 4.733 4.340 0.000 0.000 0.273 305 L C -0.063 176.717 176.870 -0.149 0.000 1.028 305 L CA -0.508 54.232 54.840 -0.168 0.000 0.871 305 L CB 1.257 43.250 42.059 -0.109 0.000 1.242 305 L HN 0.364 nan 8.230 nan 0.000 0.434 306 A N 2.559 125.263 122.820 -0.194 0.000 2.260 306 A HA 0.597 4.917 4.320 0.000 0.000 0.308 306 A C 0.519 178.057 177.584 -0.076 0.000 1.254 306 A CA -0.319 51.651 52.037 -0.112 0.000 0.874 306 A CB 0.493 19.438 19.000 -0.091 0.000 1.153 306 A HN 0.700 nan 8.150 nan 0.000 0.527 307 Q N 0.673 120.443 119.800 -0.049 0.000 2.437 307 Q HA -0.161 4.179 4.340 0.000 0.000 0.274 307 Q C 0.287 176.261 176.000 -0.044 0.000 1.165 307 Q CA 1.487 57.269 55.803 -0.035 0.000 0.925 307 Q CB -2.085 26.640 28.738 -0.021 0.000 1.327 307 Q HN 0.747 nan 8.270 nan 0.000 0.505 308 S N -0.747 114.919 115.700 -0.056 0.000 2.722 308 S HA 0.820 5.290 4.470 0.000 0.000 0.292 308 S C 0.228 174.798 174.600 -0.050 0.000 1.135 308 S CA -0.726 57.437 58.200 -0.062 0.000 1.003 308 S CB 1.300 64.455 63.200 -0.075 0.000 1.067 308 S HN 0.287 nan 8.310 nan 0.000 0.546 309 I N 1.020 121.558 120.570 -0.054 0.000 2.545 309 I HA 0.512 4.682 4.170 0.000 0.000 0.292 309 I C -1.277 174.828 176.117 -0.020 0.000 1.040 309 I CA -0.578 60.699 61.300 -0.037 0.000 1.068 309 I CB 2.062 40.036 38.000 -0.044 0.000 1.251 309 I HN 0.228 nan 8.210 nan 0.000 0.424 310 V N 4.911 124.828 119.914 0.006 0.000 2.524 310 V HA 0.434 4.554 4.120 0.000 0.000 0.297 310 V C -0.609 175.529 176.094 0.073 0.000 1.035 310 V CA -0.615 61.714 62.300 0.048 0.000 0.867 310 V CB 1.773 33.615 31.823 0.032 0.000 1.004 310 V HN 0.691 nan 8.190 nan 0.000 0.426 311 E N 2.532 122.802 120.200 0.116 0.000 2.227 311 E HA 0.869 5.219 4.350 0.000 0.000 0.268 311 E C -0.488 176.244 176.600 0.220 0.000 0.907 311 E CA -0.604 55.863 56.400 0.113 0.000 0.786 311 E CB 2.489 32.221 29.700 0.055 0.000 1.191 311 E HN 0.885 nan 8.360 nan 0.000 0.411 312 A N 2.985 125.919 122.820 0.191 0.000 2.449 312 A HA 0.655 4.975 4.320 0.000 0.000 0.302 312 A C -2.589 175.102 177.584 0.177 0.000 1.048 312 A CA -1.501 50.706 52.037 0.285 0.000 0.708 312 A CB 1.059 20.231 19.000 0.286 0.000 1.274 312 A HN 0.419 nan 8.150 nan 0.000 0.410 313 P HA 0.185 nan 4.420 nan 0.000 0.273 313 P C 0.007 177.393 177.300 0.144 0.000 1.250 313 P CA -0.064 63.109 63.100 0.122 0.000 0.793 313 P CB 0.603 32.355 31.700 0.088 0.000 1.011 314 Q N 0.890 120.775 119.800 0.142 0.000 2.062 314 Q HA -0.193 4.147 4.340 0.000 0.000 0.209 314 Q C 1.885 177.953 176.000 0.114 0.000 0.996 314 Q CA 2.034 57.932 55.803 0.159 0.000 0.859 314 Q CB -1.618 27.196 28.738 0.128 0.000 0.920 314 Q HN 0.564 nan 8.270 nan 0.000 0.415 315 L N -2.809 118.467 121.223 0.088 0.000 2.622 315 L HA 0.291 4.631 4.340 0.000 0.000 0.233 315 L C 0.929 177.854 176.870 0.092 0.000 1.156 315 L CA 0.553 55.432 54.840 0.066 0.000 0.866 315 L CB -0.548 41.534 42.059 0.039 0.000 0.980 315 L HN 0.133 nan 8.230 nan 0.000 0.448 316 G N -0.335 108.554 108.800 0.149 0.000 3.262 316 G HA2 0.808 4.768 3.960 0.000 0.000 0.229 316 G HA3 0.808 4.768 3.960 0.000 0.000 0.229 316 G C -1.573 173.477 174.900 0.250 0.000 1.280 316 G CA -0.255 44.986 45.100 0.237 0.000 0.951 316 G HN 0.330 nan 8.290 nan 0.000 0.589 317 A N -2.310 120.704 122.820 0.323 0.000 2.572 317 A HA 0.746 5.066 4.320 0.000 0.000 0.295 317 A C 0.636 178.271 177.584 0.085 0.000 1.072 317 A CA 0.510 52.620 52.037 0.121 0.000 0.691 317 A CB 1.251 20.202 19.000 -0.081 0.000 1.291 317 A HN 1.778 nan 8.150 nan 0.000 0.404 318 A N 0.927 123.763 122.820 0.028 0.000 1.929 318 A HA 0.436 4.756 4.320 0.000 0.000 0.216 318 A C 0.653 178.195 177.584 -0.070 0.000 1.176 318 A CA 1.254 53.297 52.037 0.011 0.000 0.628 318 A CB -0.212 18.799 19.000 0.017 0.000 0.816 318 A HN 0.735 nan 8.150 nan 0.000 0.444 319 I N -1.088 119.414 120.570 -0.114 0.000 2.569 319 I HA 0.357 4.527 4.170 0.000 0.000 0.290 319 I C -0.353 175.606 176.117 -0.262 0.000 1.088 319 I CA -0.559 60.643 61.300 -0.163 0.000 1.047 319 I CB 2.203 40.130 38.000 -0.122 0.000 1.237 319 I HN 0.136 nan 8.210 nan 0.000 0.421 320 R N 4.771 125.069 120.500 -0.335 0.000 2.437 320 R HA 0.868 5.208 4.340 0.000 0.000 0.310 320 R C -1.397 174.771 176.300 -0.220 0.000 0.955 320 R CA -0.381 55.484 56.100 -0.391 0.000 0.851 320 R CB 1.890 31.753 30.300 -0.728 0.000 1.161 320 R HN 0.778 nan 8.270 nan 0.000 0.446 321 A N 2.317 125.037 122.820 -0.167 0.000 2.435 321 A HA 0.876 5.196 4.320 0.000 0.000 0.304 321 A C -0.965 176.570 177.584 -0.083 0.000 1.064 321 A CA -0.499 51.475 52.037 -0.105 0.000 0.727 321 A CB 2.117 21.063 19.000 -0.090 0.000 1.284 321 A HN 0.852 nan 8.150 nan 0.000 0.415 322 G N -0.299 108.470 108.800 -0.052 0.000 2.608 322 G HA2 0.557 4.517 3.960 0.000 0.000 0.291 322 G HA3 0.557 4.517 3.960 0.000 0.000 0.291 322 G C -0.850 174.043 174.900 -0.013 0.000 1.425 322 G CA -0.585 44.496 45.100 -0.033 0.000 0.787 322 G HN 1.206 nan 8.290 nan 0.000 0.484 323 R N -0.809 119.691 120.500 0.000 0.000 3.127 323 R HA -0.148 4.192 4.340 0.000 0.000 0.247 323 R C 1.209 177.516 176.300 0.012 0.000 0.896 323 R CA 1.183 57.294 56.100 0.018 0.000 0.624 323 R CB -1.713 28.605 30.300 0.029 0.000 1.154 323 R HN 2.513 nan 8.270 nan 0.000 0.474 324 G N -1.405 107.397 108.800 0.003 0.000 2.160 324 G HA2 -0.270 3.690 3.960 0.000 0.000 0.251 324 G HA3 -0.270 3.690 3.960 0.000 0.000 0.251 324 G C 0.373 175.265 174.900 -0.013 0.000 1.008 324 G CA 0.255 45.353 45.100 -0.004 0.000 0.724 324 G HN 0.994 nan 8.290 nan 0.000 0.514 325 A N -0.231 122.578 122.820 -0.018 0.000 2.425 325 A HA 0.687 5.007 4.320 0.000 0.000 0.242 325 A C 0.825 178.390 177.584 -0.031 0.000 1.077 325 A CA 0.190 52.212 52.037 -0.025 0.000 0.781 325 A CB 0.365 19.344 19.000 -0.034 0.000 1.020 325 A HN 0.471 nan 8.150 nan 0.000 0.494 326 R N 1.349 121.831 120.500 -0.031 0.000 2.412 326 R HA 0.442 4.782 4.340 0.000 0.000 0.304 326 R C -1.740 174.538 176.300 -0.037 0.000 1.066 326 R CA -0.369 55.711 56.100 -0.032 0.000 0.923 326 R CB 1.557 31.843 30.300 -0.024 0.000 1.156 326 R HN 0.452 nan 8.270 nan 0.000 0.513 327 V N 2.430 122.317 119.914 -0.046 0.000 2.495 327 V HA 0.436 4.556 4.120 0.000 0.000 0.298 327 V C 0.079 176.142 176.094 -0.050 0.000 1.031 327 V CA -0.499 61.770 62.300 -0.053 0.000 0.871 327 V CB 2.179 33.962 31.823 -0.066 0.000 0.988 327 V HN 0.614 nan 8.190 nan 0.000 0.432 328 T N 4.144 118.669 114.554 -0.048 0.000 2.809 328 T HA 0.550 4.900 4.350 0.000 0.000 0.284 328 T C -0.572 174.094 174.700 -0.056 0.000 0.992 328 T CA -0.374 61.699 62.100 -0.045 0.000 0.957 328 T CB 1.596 70.446 68.868 -0.029 0.000 0.942 328 T HN 0.330 nan 8.240 nan 0.000 0.439 329 V N 3.971 123.852 119.914 -0.054 0.000 2.350 329 V HA 0.507 4.627 4.120 0.000 0.000 0.285 329 V C -0.175 175.893 176.094 -0.044 0.000 1.014 329 V CA -0.797 61.469 62.300 -0.056 0.000 0.831 329 V CB 1.411 33.201 31.823 -0.054 0.000 1.000 329 V HN 1.023 nan 8.190 nan 0.000 0.433 330 S N 3.455 119.128 115.700 -0.045 0.000 2.498 330 S HA 0.868 5.338 4.470 0.000 0.000 0.317 330 S C 0.521 175.104 174.600 -0.028 0.000 1.090 330 S CA -0.097 58.085 58.200 -0.029 0.000 1.089 330 S CB 1.487 64.676 63.200 -0.018 0.000 0.997 330 S HN 1.651 nan 8.310 nan 0.000 0.470 331 G N 2.501 111.289 108.800 -0.020 0.000 2.539 331 G HA2 0.252 4.212 3.960 0.000 0.000 0.256 331 G HA3 0.252 4.212 3.960 0.000 0.000 0.256 331 G C 0.593 175.480 174.900 -0.022 0.000 1.233 331 G CA -0.011 45.079 45.100 -0.017 0.000 0.936 331 G HN 2.250 nan 8.290 nan 0.000 0.571 332 G N -1.445 107.342 108.800 -0.022 0.000 2.564 332 G HA2 0.313 4.273 3.960 0.000 0.000 0.273 332 G HA3 0.313 4.273 3.960 0.000 0.000 0.273 332 G C 0.619 175.508 174.900 -0.018 0.000 1.242 332 G CA 1.649 46.734 45.100 -0.025 0.000 0.951 332 G HN 2.844 nan 8.290 nan 0.000 0.564 333 S N -1.515 114.173 115.700 -0.020 0.000 2.560 333 S HA 0.591 5.061 4.470 0.000 0.000 0.283 333 S C -1.299 173.295 174.600 -0.010 0.000 1.141 333 S CA -0.077 58.116 58.200 -0.011 0.000 0.902 333 S CB 0.805 64.001 63.200 -0.008 0.000 1.104 333 S HN 1.419 nan 8.310 nan 0.000 0.454 334 L N 3.821 125.041 121.223 -0.004 0.000 2.441 334 L HA 0.698 5.038 4.340 0.000 0.000 0.270 334 L C -0.244 176.632 176.870 0.011 0.000 0.973 334 L CA -0.715 54.126 54.840 0.002 0.000 0.842 334 L CB 2.034 44.088 42.059 -0.009 0.000 1.239 334 L HN 0.716 nan 8.230 nan 0.000 0.406 335 S N 1.888 117.601 115.700 0.020 0.000 2.532 335 S HA 0.914 5.384 4.470 0.000 0.000 0.301 335 S C -0.211 174.409 174.600 0.034 0.000 1.083 335 S CA -0.322 57.890 58.200 0.019 0.000 1.025 335 S CB 2.408 65.612 63.200 0.007 0.000 1.056 335 S HN 0.771 nan 8.310 nan 0.000 0.494 336 A N 3.015 125.849 122.820 0.023 0.000 3.453 336 A HA 0.616 4.936 4.320 0.000 0.000 0.262 336 A C -2.136 175.446 177.584 -0.003 0.000 1.026 336 A CA -1.170 50.890 52.037 0.038 0.000 0.938 336 A CB 0.103 19.138 19.000 0.059 0.000 1.246 336 A HN 0.586 nan 8.150 nan 0.000 0.546 337 P HA -0.224 nan 4.420 nan 0.000 0.222 337 P C 0.677 177.760 177.300 -0.362 0.000 1.155 337 P CA 2.014 64.963 63.100 -0.251 0.000 0.890 337 P CB -0.002 31.499 31.700 -0.332 0.000 0.790 338 H N -3.926 115.174 119.070 0.050 0.000 3.233 338 H HA 0.382 4.938 4.556 0.000 0.000 0.263 338 H C 1.216 176.577 175.328 0.054 0.000 1.168 338 H CA -0.085 55.992 56.048 0.048 0.000 1.159 338 H CB 0.591 30.376 29.762 0.039 0.000 1.593 338 H HN 0.108 nan 8.280 nan 0.000 0.580 339 G N -0.366 108.517 108.800 0.139 0.000 3.122 339 G HA2 0.197 4.157 3.960 0.000 0.000 0.180 339 G HA3 0.197 4.157 3.960 0.000 0.000 0.180 339 G C -0.530 174.424 174.900 0.091 0.000 1.279 339 G CA -0.773 44.394 45.100 0.111 0.000 0.987 339 G HN 0.057 nan 8.290 nan 0.000 0.589 340 N N -0.414 118.330 118.700 0.073 0.000 2.466 340 N HA 0.332 5.072 4.740 0.000 0.000 0.294 340 N C 1.128 176.659 175.510 0.035 0.000 1.129 340 N CA -0.577 52.511 53.050 0.064 0.000 0.931 340 N CB 2.378 40.898 38.487 0.055 0.000 1.193 340 N HN 0.073 nan 8.380 nan 0.000 0.500 341 V N 0.696 120.621 119.914 0.018 0.000 2.379 341 V HA 0.135 4.256 4.120 0.000 0.000 0.243 341 V C 0.843 176.913 176.094 -0.041 0.000 1.035 341 V CA 1.117 63.414 62.300 -0.005 0.000 1.035 341 V CB -0.115 31.702 31.823 -0.010 0.000 0.673 341 V HN 0.557 nan 8.190 nan 0.000 0.457 342 I N -0.105 120.433 120.570 -0.053 0.000 2.498 342 I HA 0.442 4.612 4.170 0.000 0.000 0.290 342 I C -0.564 175.506 176.117 -0.078 0.000 1.032 342 I CA -0.221 61.026 61.300 -0.088 0.000 1.073 342 I CB 2.359 40.301 38.000 -0.097 0.000 1.251 342 I HN 0.104 nan 8.210 nan 0.000 0.426 343 E N 3.623 123.737 120.200 -0.143 0.000 2.212 343 E HA 0.546 4.896 4.350 0.000 0.000 0.268 343 E C -1.056 175.466 176.600 -0.130 0.000 0.902 343 E CA -0.659 55.662 56.400 -0.130 0.000 0.779 343 E CB 2.435 31.968 29.700 -0.279 0.000 1.172 343 E HN 0.642 nan 8.360 nan 0.000 0.409 344 T N -0.099 114.421 114.554 -0.057 0.000 2.847 344 T HA 0.751 5.101 4.350 0.000 0.000 0.291 344 T C 0.224 174.906 174.700 -0.029 0.000 0.998 344 T CA -0.220 61.846 62.100 -0.057 0.000 0.967 344 T CB 1.401 70.238 68.868 -0.051 0.000 0.954 344 T HN 0.767 nan 8.240 nan 0.000 0.441 345 G N 0.988 109.763 108.800 -0.042 0.000 2.434 345 G HA2 0.439 4.399 3.960 0.000 0.000 0.671 345 G HA3 0.439 4.399 3.960 0.000 0.000 0.671 345 G C 0.113 175.003 174.900 -0.017 0.000 1.280 345 G CA -0.027 45.062 45.100 -0.019 0.000 0.975 345 G HN 2.425 nan 8.290 nan 0.000 0.510 346 G N -2.045 106.756 108.800 0.000 0.000 2.970 346 G HA2 0.580 4.540 3.960 0.000 0.000 0.249 346 G HA3 0.580 4.540 3.960 0.000 0.000 0.249 346 G C 1.337 176.246 174.900 0.014 0.000 1.113 346 G CA 0.948 46.054 45.100 0.011 0.000 1.119 346 G HN 2.981 nan 8.290 nan 0.000 0.552 347 G N -0.966 107.840 108.800 0.009 0.000 4.112 347 G HA2 0.584 4.544 3.960 0.000 0.000 0.223 347 G HA3 0.584 4.544 3.960 0.000 0.000 0.223 347 G C 0.732 175.637 174.900 0.008 0.000 0.883 347 G CA 1.336 46.442 45.100 0.010 0.000 1.195 347 G HN 2.369 nan 8.290 nan 0.000 0.730 348 A N 0.509 123.330 122.820 0.002 0.000 2.219 348 A HA 0.186 4.506 4.320 0.000 0.000 0.315 348 A C 0.736 178.321 177.584 0.001 0.000 0.856 348 A CA 1.587 53.621 52.037 -0.005 0.000 1.357 348 A CB -0.109 18.880 19.000 -0.018 0.000 0.666 348 A HN 1.426 nan 8.150 nan 0.000 0.278 349 R N 2.838 123.345 120.500 0.012 0.000 2.631 349 R HA 0.430 4.770 4.340 0.000 0.000 0.289 349 R C -1.168 175.149 176.300 0.027 0.000 1.303 349 R CA -0.755 55.369 56.100 0.039 0.000 0.989 349 R CB 0.845 31.216 30.300 0.119 0.000 1.208 349 R HN 0.663 nan 8.270 nan 0.000 0.461 350 R N 3.789 124.209 120.500 -0.133 0.000 2.215 350 R HA 0.416 4.756 4.340 0.000 0.000 0.336 350 R C -1.538 174.519 176.300 -0.405 0.000 0.996 350 R CA -0.023 55.974 56.100 -0.171 0.000 0.847 350 R CB 0.414 30.616 30.300 -0.164 0.000 1.127 350 R HN 0.402 nan 8.270 nan 0.000 0.465 351 F N 5.272 125.218 119.950 -0.008 0.000 2.536 351 F HA 0.353 4.880 4.527 0.000 0.000 0.322 351 F C -1.181 174.614 175.800 -0.007 0.000 1.144 351 F CA -1.979 56.017 58.000 -0.007 0.000 0.924 351 F CB 2.211 41.207 39.000 -0.007 0.000 1.181 351 F HN 0.530 nan 8.300 nan 0.000 0.438 352 P HA -0.109 nan 4.420 nan 0.000 0.217 352 P C -1.947 175.404 177.300 0.085 0.000 1.151 352 P CA 1.006 64.158 63.100 0.087 0.000 0.849 352 P CB -1.087 30.652 31.700 0.065 0.000 0.787 353 P HA 0.125 nan 4.420 nan 0.000 0.271 353 P C -2.407 174.921 177.300 0.047 0.000 1.220 353 P CA -1.261 61.873 63.100 0.057 0.000 0.768 353 P CB -0.537 31.184 31.700 0.035 0.000 0.848 354 P HA 0.098 nan 4.420 nan 0.000 0.256 354 P C 0.396 177.699 177.300 0.006 0.000 1.688 354 P CA 0.050 63.160 63.100 0.017 0.000 1.162 354 P CB 0.116 31.821 31.700 0.009 0.000 1.870 355 A N 3.244 126.068 122.820 0.008 0.000 2.037 355 A HA -0.045 4.275 4.320 0.000 0.000 0.200 355 A C 1.153 178.729 177.584 -0.013 0.000 1.230 355 A CA 1.140 53.170 52.037 -0.011 0.000 0.695 355 A CB -0.946 18.044 19.000 -0.017 0.000 0.883 355 A HN 0.406 nan 8.150 nan 0.000 0.502 356 S N 1.151 116.844 115.700 -0.012 0.000 2.143 356 S HA 0.422 4.892 4.470 0.000 0.000 0.188 356 S C -2.788 171.803 174.600 -0.015 0.000 1.431 356 S CA -0.972 57.218 58.200 -0.016 0.000 1.253 356 S CB 0.425 63.614 63.200 -0.019 0.000 1.137 356 S HN 0.293 nan 8.310 nan 0.000 0.457 357 P HA -0.080 nan 4.420 nan 0.000 0.252 357 P C 0.171 177.456 177.300 -0.025 0.000 1.147 357 P CA -0.141 62.950 63.100 -0.015 0.000 0.779 357 P CB -0.142 31.547 31.700 -0.018 0.000 0.733 358 L N 2.786 123.994 121.223 -0.025 0.000 2.706 358 L HA 0.096 4.436 4.340 0.000 0.000 0.282 358 L C 0.030 176.873 176.870 -0.045 0.000 1.219 358 L CA 0.760 55.580 54.840 -0.033 0.000 0.935 358 L CB -0.365 41.673 42.059 -0.034 0.000 1.204 358 L HN 0.372 nan 8.230 nan 0.000 0.491 359 S N 4.440 120.112 115.700 -0.046 0.000 2.521 359 S HA 0.854 5.324 4.470 0.000 0.000 0.295 359 S C -0.588 173.977 174.600 -0.060 0.000 1.098 359 S CA -0.871 57.297 58.200 -0.054 0.000 0.999 359 S CB 1.411 64.583 63.200 -0.046 0.000 1.034 359 S HN 0.605 nan 8.310 nan 0.000 0.483 360 I N 2.196 122.723 120.570 -0.072 0.000 2.474 360 I HA 0.500 4.670 4.170 0.000 0.000 0.294 360 I C -0.247 175.826 176.117 -0.073 0.000 1.005 360 I CA -0.318 60.937 61.300 -0.075 0.000 1.113 360 I CB 2.372 40.319 38.000 -0.089 0.000 1.289 360 I HN 0.685 nan 8.210 nan 0.000 0.436 361 T N 6.642 121.158 114.554 -0.062 0.000 2.840 361 T HA 0.590 4.940 4.350 0.000 0.000 0.287 361 T C -0.400 174.269 174.700 -0.051 0.000 0.991 361 T CA -0.502 61.565 62.100 -0.055 0.000 0.964 361 T CB 0.840 69.683 68.868 -0.042 0.000 0.954 361 T HN 0.270 nan 8.240 nan 0.000 0.438 362 L N 4.812 126.004 121.223 -0.051 0.000 2.276 362 L HA 0.535 4.875 4.340 0.000 0.000 0.286 362 L C 0.466 177.320 176.870 -0.027 0.000 1.024 362 L CA -0.705 54.111 54.840 -0.040 0.000 0.826 362 L CB 0.721 42.755 42.059 -0.041 0.000 1.211 362 L HN 0.703 nan 8.230 nan 0.000 0.422 363 Q N 2.729 122.515 119.800 -0.023 0.000 3.022 363 Q HA 0.734 5.074 4.340 0.000 0.000 0.313 363 Q C 0.148 176.141 176.000 -0.011 0.000 1.018 363 Q CA -0.688 55.106 55.803 -0.015 0.000 0.799 363 Q CB 1.779 30.509 28.738 -0.015 0.000 1.498 363 Q HN 0.504 nan 8.270 nan 0.000 0.494 364 A N -0.494 122.322 122.820 -0.007 0.000 2.462 364 A HA -0.042 4.278 4.320 0.000 0.000 0.294 364 A C 1.145 178.727 177.584 -0.004 0.000 1.461 364 A CA 1.578 53.613 52.037 -0.005 0.000 0.765 364 A CB -2.462 16.535 19.000 -0.004 0.000 1.071 364 A HN 2.192 nan 8.150 nan 0.000 0.401 365 G N -2.671 106.128 108.800 -0.002 0.000 2.147 365 G HA2 0.172 4.132 3.960 0.000 0.000 0.244 365 G HA3 0.172 4.132 3.960 0.000 0.000 0.244 365 G C 0.737 175.636 174.900 -0.001 0.000 1.005 365 G CA 0.981 46.081 45.100 0.000 0.000 0.713 365 G HN 2.537 nan 8.290 nan 0.000 0.515 366 A N -0.520 122.297 122.820 -0.004 0.000 2.511 366 A HA 0.665 4.985 4.320 0.000 0.000 0.242 366 A C 0.739 178.323 177.584 0.000 0.000 1.069 366 A CA 0.567 52.599 52.037 -0.008 0.000 0.763 366 A CB 0.270 19.260 19.000 -0.015 0.000 1.001 366 A HN 0.563 nan 8.150 nan 0.000 0.498 367 R N 0.553 121.053 120.500 -0.000 0.000 2.460 367 R HA 0.671 5.011 4.340 0.000 0.000 0.303 367 R C -0.495 175.809 176.300 0.006 0.000 0.968 367 R CA 0.571 56.676 56.100 0.008 0.000 0.889 367 R CB 1.862 32.166 30.300 0.007 0.000 1.123 367 R HN 0.975 nan 8.270 nan 0.000 0.455 368 A N 2.627 125.457 122.820 0.016 0.000 2.442 368 A HA 0.434 4.754 4.320 0.000 0.000 0.284 368 A C -1.548 176.054 177.584 0.030 0.000 1.058 368 A CA -0.603 51.443 52.037 0.015 0.000 0.738 368 A CB 1.616 20.617 19.000 0.002 0.000 1.242 368 A HN 0.421 nan 8.150 nan 0.000 0.421 369 Q N 1.404 121.219 119.800 0.025 0.000 2.372 369 Q HA 0.770 5.110 4.340 0.000 0.000 0.273 369 Q C -0.441 175.575 176.000 0.025 0.000 1.078 369 Q CA 0.067 55.889 55.803 0.031 0.000 0.806 369 Q CB 2.307 31.057 28.738 0.020 0.000 1.332 369 Q HN 1.652 nan 8.270 nan 0.000 0.435 370 G N 1.765 110.587 108.800 0.036 0.000 2.349 370 G HA2 0.122 4.082 3.960 0.000 0.000 0.294 370 G HA3 0.122 4.082 3.960 0.000 0.000 0.294 370 G C -0.323 174.612 174.900 0.058 0.000 1.380 370 G CA -0.364 44.757 45.100 0.034 0.000 0.811 370 G HN 0.595 nan 8.290 nan 0.000 0.519 371 R N -0.596 119.946 120.500 0.069 0.000 2.152 371 R HA 0.307 4.647 4.340 0.000 0.000 0.232 371 R C 0.904 177.271 176.300 0.110 0.000 1.117 371 R CA 2.071 58.230 56.100 0.098 0.000 0.981 371 R CB -0.184 30.191 30.300 0.124 0.000 0.870 371 R HN 1.007 nan 8.270 nan 0.000 0.451 372 A N -0.416 122.468 122.820 0.107 0.000 2.549 372 A HA 0.277 4.597 4.320 0.000 0.000 0.297 372 A C -0.191 177.431 177.584 0.064 0.000 1.061 372 A CA -0.788 51.310 52.037 0.102 0.000 0.690 372 A CB 1.496 20.574 19.000 0.130 0.000 1.287 372 A HN 0.167 nan 8.150 nan 0.000 0.402 373 L N 1.123 122.361 121.223 0.024 0.000 2.307 373 L HA 0.338 4.678 4.340 0.000 0.000 0.211 373 L C -0.464 176.351 176.870 -0.091 0.000 1.099 373 L CA 1.226 56.042 54.840 -0.039 0.000 0.816 373 L CB 0.108 42.106 42.059 -0.102 0.000 0.952 373 L HN 0.635 nan 8.230 nan 0.000 0.455 374 L N -0.156 121.006 121.223 -0.101 0.000 2.562 374 L HA 0.271 4.611 4.340 0.000 0.000 0.266 374 L C -1.970 174.872 176.870 -0.048 0.000 0.949 374 L CA -0.401 54.378 54.840 -0.103 0.000 0.879 374 L CB 1.766 43.703 42.059 -0.204 0.000 1.278 374 L HN -0.018 nan 8.230 nan 0.000 0.404 375 Y N 5.185 125.427 120.300 -0.096 0.000 2.331 375 Y HA 0.486 5.036 4.550 0.000 0.000 0.338 375 Y C -0.025 175.825 175.900 -0.084 0.000 0.976 375 Y CA -0.511 57.545 58.100 -0.073 0.000 1.137 375 Y CB 1.172 39.603 38.460 -0.049 0.000 1.172 375 Y HN 0.654 nan 8.280 nan 0.000 0.478 376 R N 5.596 126.049 120.500 -0.077 0.000 2.255 376 R HA 0.473 4.813 4.340 0.000 0.000 0.326 376 R C -1.433 174.922 176.300 0.093 0.000 0.986 376 R CA -0.571 55.525 56.100 -0.007 0.000 0.847 376 R CB 0.915 31.154 30.300 -0.102 0.000 1.111 376 R HN 0.588 nan 8.270 nan 0.000 0.452 377 V N 6.259 126.261 119.914 0.147 0.000 2.637 377 V HA 0.077 4.198 4.120 0.000 0.000 0.296 377 V C 0.862 176.980 176.094 0.039 0.000 1.046 377 V CA 0.007 62.377 62.300 0.117 0.000 1.066 377 V CB 1.145 33.005 31.823 0.060 0.000 0.968 377 V HN 0.727 nan 8.190 nan 0.000 0.483 378 L N 7.123 128.371 121.223 0.042 0.000 2.454 378 L HA 0.482 4.822 4.340 0.000 0.000 0.256 378 L C -1.140 175.730 176.870 -0.001 0.000 1.136 378 L CA -0.585 54.258 54.840 0.005 0.000 0.804 378 L CB 0.990 43.052 42.059 0.006 0.000 1.181 378 L HN 0.745 nan 8.230 nan 0.000 0.469 379 P HA -0.234 nan 4.420 nan 0.000 0.029 379 P C -0.538 176.756 177.300 -0.010 0.000 0.911 379 P CA 0.922 64.016 63.100 -0.011 0.000 1.009 379 P CB -0.639 31.056 31.700 -0.009 0.000 1.859 380 E N 1.247 121.440 120.200 -0.011 0.000 2.179 380 E HA 0.480 4.830 4.350 0.000 0.000 0.275 380 E C -2.282 174.305 176.600 -0.023 0.000 0.945 380 E CA -2.648 53.745 56.400 -0.013 0.000 0.792 380 E CB 1.623 31.317 29.700 -0.011 0.000 1.125 380 E HN 0.112 nan 8.360 nan 0.000 0.397 381 P HA 0.068 nan 4.420 nan 0.000 0.275 381 P C -0.876 176.400 177.300 -0.040 0.000 1.227 381 P CA -0.186 62.895 63.100 -0.030 0.000 0.781 381 P CB 0.983 32.671 31.700 -0.021 0.000 0.906 382 V N 2.305 122.186 119.914 -0.055 0.000 2.823 382 V HA 0.550 4.670 4.120 0.000 0.000 0.312 382 V C -0.007 176.041 176.094 -0.077 0.000 1.072 382 V CA -0.778 61.481 62.300 -0.069 0.000 0.937 382 V CB 2.059 33.829 31.823 -0.087 0.000 1.013 382 V HN 0.416 nan 8.190 nan 0.000 0.430 383 K N 3.026 123.379 120.400 -0.078 0.000 2.646 383 K HA 0.525 4.845 4.320 0.000 0.000 0.210 383 K C -1.366 175.177 176.600 -0.095 0.000 1.020 383 K CA -0.362 55.877 56.287 -0.080 0.000 1.040 383 K CB 0.832 33.296 32.500 -0.059 0.000 1.253 383 K HN 0.631 nan 8.250 nan 0.000 0.532 384 L N 2.584 123.730 121.223 -0.128 0.000 2.331 384 L HA 0.555 4.895 4.340 0.000 0.000 0.278 384 L C -0.958 175.832 176.870 -0.133 0.000 1.106 384 L CA 0.787 55.538 54.840 -0.148 0.000 0.824 384 L CB 1.229 43.159 42.059 -0.215 0.000 1.142 384 L HN 0.632 nan 8.230 nan 0.000 0.443 385 T N 6.514 121.003 114.554 -0.108 0.000 2.890 385 T HA 0.456 4.806 4.350 0.000 0.000 0.295 385 T C -0.491 174.167 174.700 -0.069 0.000 0.993 385 T CA -0.424 61.627 62.100 -0.081 0.000 0.979 385 T CB 0.723 69.557 68.868 -0.057 0.000 0.967 385 T HN 0.412 nan 8.240 nan 0.000 0.441 386 L N 3.017 124.205 121.223 -0.058 0.000 2.272 386 L HA 0.832 5.172 4.340 0.000 0.000 0.289 386 L C 0.375 177.240 176.870 -0.009 0.000 1.032 386 L CA -0.638 54.186 54.840 -0.027 0.000 0.810 386 L CB 0.953 43.010 42.059 -0.004 0.000 1.205 386 L HN 0.779 nan 8.230 nan 0.000 0.422 387 A N 1.768 124.583 122.820 -0.008 0.000 2.548 387 A HA 0.771 5.091 4.320 0.000 0.000 0.282 387 A C 0.711 178.295 177.584 -0.000 0.000 1.288 387 A CA -0.097 51.938 52.037 -0.003 0.000 0.748 387 A CB 0.616 19.611 19.000 -0.009 0.000 1.339 387 A HN 0.839 nan 8.150 nan 0.000 0.475 388 G N -0.992 107.808 108.800 -0.000 0.000 2.451 388 G HA2 0.198 4.159 3.960 0.000 0.000 0.296 388 G HA3 0.198 4.159 3.960 0.000 0.000 0.296 388 G C 1.645 176.546 174.900 0.002 0.000 0.922 388 G CA 1.637 46.737 45.100 -0.000 0.000 1.074 388 G HN 2.728 nan 8.290 nan 0.000 0.509 389 G N -2.078 106.726 108.800 0.006 0.000 2.168 389 G HA2 0.128 4.088 3.960 0.000 0.000 0.257 389 G HA3 0.128 4.088 3.960 0.000 0.000 0.257 389 G C 0.772 175.679 174.900 0.013 0.000 0.997 389 G CA 1.102 46.207 45.100 0.009 0.000 0.708 389 G HN 2.274 nan 8.290 nan 0.000 0.520 390 A N -0.741 122.087 122.820 0.013 0.000 2.407 390 A HA 0.660 4.980 4.320 0.000 0.000 0.248 390 A C 0.452 178.056 177.584 0.032 0.000 1.082 390 A CA 0.481 52.527 52.037 0.015 0.000 0.785 390 A CB 0.388 19.391 19.000 0.005 0.000 1.020 390 A HN 0.602 nan 8.150 nan 0.000 0.489 391 Q N 0.056 119.877 119.800 0.035 0.000 2.292 391 Q HA 0.548 4.888 4.340 0.000 0.000 0.270 391 Q C -0.313 175.727 176.000 0.067 0.000 1.024 391 Q CA -0.356 55.482 55.803 0.058 0.000 0.768 391 Q CB 2.436 31.203 28.738 0.047 0.000 1.250 391 Q HN 0.920 nan 8.270 nan 0.000 0.447 392 G N 2.079 110.947 108.800 0.113 0.000 2.609 392 G HA2 0.476 4.437 3.960 0.000 0.000 0.308 392 G HA3 0.476 4.437 3.960 0.000 0.000 0.308 392 G C -1.186 173.855 174.900 0.235 0.000 1.369 392 G CA -0.527 44.647 45.100 0.123 0.000 0.958 392 G HN 0.526 nan 8.290 nan 0.000 0.499 393 Q N 2.041 121.947 119.800 0.178 0.000 2.333 393 Q HA 0.786 5.126 4.340 0.000 0.000 0.268 393 Q C -0.053 176.061 176.000 0.190 0.000 1.007 393 Q CA -0.940 54.989 55.803 0.210 0.000 0.810 393 Q CB 2.463 31.272 28.738 0.118 0.000 1.264 393 Q HN 0.666 nan 8.270 nan 0.000 0.452 394 G N 1.653 110.624 108.800 0.284 0.000 3.206 394 G HA2 0.224 4.184 3.960 0.000 0.000 0.146 394 G HA3 0.224 4.184 3.960 0.000 0.000 0.146 394 G C -0.724 174.345 174.900 0.283 0.000 1.214 394 G CA 0.266 45.491 45.100 0.209 0.000 1.297 394 G HN 0.534 nan 8.290 nan 0.000 0.659 395 D N -1.476 119.072 120.400 0.246 0.000 1.943 395 D HA 0.157 4.798 4.640 0.000 0.000 0.555 395 D C 0.294 176.678 176.300 0.141 0.000 0.861 395 D CA 0.173 54.326 54.000 0.255 0.000 1.048 395 D CB 0.675 41.571 40.800 0.160 0.000 1.518 395 D HN 0.472 nan 8.370 nan 0.000 0.494 396 I N 1.139 121.684 120.570 -0.040 0.000 8.032 396 I HA -0.216 3.954 4.170 0.000 0.000 0.126 396 I C -0.951 175.076 176.117 -0.150 0.000 1.845 396 I CA 0.054 61.247 61.300 -0.178 0.000 2.048 396 I CB -0.949 36.825 38.000 -0.377 0.000 3.748 396 I HN -0.184 nan 8.210 nan 0.000 0.173 397 V N 4.179 123.950 119.914 -0.239 0.000 2.914 397 V HA 0.972 5.092 4.120 0.000 0.000 0.314 397 V C 0.477 176.248 176.094 -0.539 0.000 1.084 397 V CA -0.107 61.982 62.300 -0.352 0.000 0.963 397 V CB 1.745 33.340 31.823 -0.381 0.000 1.025 397 V HN 0.800 nan 8.190 nan 0.000 0.432 398 A N 1.422 123.997 122.820 -0.409 0.000 2.468 398 A HA 0.738 5.058 4.320 0.000 0.000 0.277 398 A C 0.859 178.252 177.584 -0.318 0.000 1.203 398 A CA 0.129 51.959 52.037 -0.345 0.000 0.932 398 A CB 0.859 19.754 19.000 -0.175 0.000 1.438 398 A HN 0.896 nan 8.150 nan 0.000 0.468 399 T N 0.229 114.706 114.554 -0.129 0.000 3.129 399 T HA 0.061 4.411 4.350 0.000 0.000 0.251 399 T C 0.937 175.637 174.700 -0.001 0.000 1.117 399 T CA 0.628 62.726 62.100 -0.003 0.000 1.034 399 T CB -0.182 68.735 68.868 0.081 0.000 0.968 399 T HN 0.679 nan 8.240 nan 0.000 0.526 400 E N 1.459 121.651 120.200 -0.014 0.000 2.370 400 E HA -0.233 4.117 4.350 0.000 0.000 0.232 400 E C 0.355 176.952 176.600 -0.006 0.000 1.117 400 E CA 1.155 57.547 56.400 -0.014 0.000 0.963 400 E CB -0.637 29.062 29.700 -0.001 0.000 0.810 400 E HN 0.542 nan 8.360 nan 0.000 0.464 401 L N 2.515 123.741 121.223 0.005 0.000 2.289 401 L HA 0.287 4.627 4.340 0.000 0.000 0.285 401 L C -1.954 174.920 176.870 0.006 0.000 1.049 401 L CA -2.038 52.806 54.840 0.006 0.000 0.804 401 L CB 0.926 42.991 42.059 0.011 0.000 1.195 401 L HN -0.089 nan 8.230 nan 0.000 0.428 402 P HA 0.247 nan 4.420 nan 0.000 0.276 402 P C -2.320 174.982 177.300 0.003 0.000 1.252 402 P CA -1.440 61.661 63.100 0.001 0.000 0.802 402 P CB 0.446 32.143 31.700 -0.004 0.000 1.035 403 P HA 0.079 nan 4.420 nan 0.000 0.216 403 P C 0.332 177.631 177.300 -0.002 0.000 1.153 403 P CA 1.301 64.402 63.100 0.002 0.000 0.844 403 P CB 0.101 31.801 31.700 0.000 0.000 0.787 404 I N 0.772 121.339 120.570 -0.005 0.000 2.337 404 I HA 0.257 4.427 4.170 0.000 0.000 0.285 404 I C -2.327 173.787 176.117 -0.005 0.000 1.041 404 I CA -2.507 58.789 61.300 -0.007 0.000 1.199 404 I CB 0.974 38.967 38.000 -0.011 0.000 1.370 404 I HN -0.238 nan 8.210 nan 0.000 0.470 405 P HA 0.085 nan 4.420 nan 0.000 0.260 405 P C 0.866 178.164 177.300 -0.003 0.000 1.185 405 P CA 0.625 63.724 63.100 -0.002 0.000 0.763 405 P CB 0.529 32.229 31.700 -0.001 0.000 0.776 406 G N 1.639 110.438 108.800 -0.003 0.000 2.141 406 G HA2 0.015 3.975 3.960 0.000 0.000 0.231 406 G HA3 0.015 3.975 3.960 0.000 0.000 0.231 406 G C 0.232 175.129 174.900 -0.004 0.000 0.984 406 G CA -0.127 44.971 45.100 -0.003 0.000 0.660 406 G HN 0.858 nan 8.290 nan 0.000 0.525 407 A N -0.227 122.589 122.820 -0.006 0.000 2.344 407 A HA 0.940 5.260 4.320 0.000 0.000 0.307 407 A C 0.689 178.269 177.584 -0.007 0.000 1.151 407 A CA 0.553 52.586 52.037 -0.008 0.000 0.842 407 A CB 0.922 19.915 19.000 -0.011 0.000 1.350 407 A HN 1.809 nan 8.150 nan 0.000 0.459 408 S N 0.217 115.913 115.700 -0.007 0.000 2.549 408 S HA 0.448 4.918 4.470 0.000 0.000 0.279 408 S C 0.118 174.713 174.600 -0.008 0.000 1.321 408 S CA 0.206 58.402 58.200 -0.006 0.000 1.054 408 S CB 0.891 64.089 63.200 -0.004 0.000 0.899 408 S HN 1.440 nan 8.310 nan 0.000 0.497 409 S N 2.720 118.415 115.700 -0.009 0.000 2.733 409 S HA 0.618 5.088 4.470 0.000 0.000 0.307 409 S C 0.571 175.163 174.600 -0.013 0.000 1.127 409 S CA -0.421 57.772 58.200 -0.011 0.000 1.097 409 S CB 0.102 63.294 63.200 -0.013 0.000 1.003 409 S HN 1.082 nan 8.310 nan 0.000 0.477 410 G N 4.365 113.157 108.800 -0.013 0.000 2.529 410 G HA2 0.493 4.453 3.960 0.000 0.000 0.277 410 G HA3 0.493 4.453 3.960 0.000 0.000 0.277 410 G C -2.674 172.212 174.900 -0.023 0.000 1.383 410 G CA -1.037 44.054 45.100 -0.014 0.000 1.050 410 G HN 0.604 nan 8.290 nan 0.000 0.526 411 P HA 0.319 nan 4.420 nan 0.000 0.287 411 P C -1.001 176.269 177.300 -0.051 0.000 1.270 411 P CA -0.765 62.315 63.100 -0.034 0.000 0.844 411 P CB 1.707 33.389 31.700 -0.029 0.000 1.068 412 L N 2.842 124.026 121.223 -0.065 0.000 2.270 412 L HA 0.402 4.742 4.340 0.000 0.000 0.286 412 L C -0.922 175.887 176.870 -0.102 0.000 1.059 412 L CA 0.150 54.934 54.840 -0.093 0.000 0.839 412 L CB -0.641 41.349 42.059 -0.114 0.000 1.221 412 L HN 0.153 nan 8.230 nan 0.000 0.431 413 D N 4.400 124.740 120.400 -0.099 0.000 2.344 413 D HA 0.318 4.958 4.640 0.000 0.000 0.239 413 D C -0.624 175.599 176.300 -0.128 0.000 1.064 413 D CA 0.017 53.960 54.000 -0.096 0.000 0.829 413 D CB 2.492 43.253 40.800 -0.065 0.000 1.129 413 D HN 0.327 nan 8.370 nan 0.000 0.506 414 V N 0.863 120.685 119.914 -0.154 0.000 2.581 414 V HA 0.807 4.927 4.120 0.000 0.000 0.303 414 V C -1.091 174.934 176.094 -0.114 0.000 1.041 414 V CA -0.586 61.605 62.300 -0.183 0.000 0.907 414 V CB 1.575 33.203 31.823 -0.325 0.000 0.994 414 V HN 0.609 nan 8.190 nan 0.000 0.442 415 A N 7.433 130.197 122.820 -0.092 0.000 2.363 415 A HA 0.735 5.055 4.320 0.000 0.000 0.296 415 A C -0.875 176.690 177.584 -0.031 0.000 1.237 415 A CA -0.589 51.421 52.037 -0.046 0.000 0.773 415 A CB 0.621 19.599 19.000 -0.036 0.000 1.153 415 A HN 0.913 nan 8.150 nan 0.000 0.473 416 L N 2.563 123.788 121.223 0.003 0.000 2.260 416 L HA 0.644 4.984 4.340 0.000 0.000 0.289 416 L C 0.639 177.525 176.870 0.027 0.000 1.057 416 L CA -0.069 54.790 54.840 0.032 0.000 0.811 416 L CB 1.192 43.305 42.059 0.089 0.000 1.184 416 L HN 0.799 nan 8.230 nan 0.000 0.429 417 A N 1.625 124.456 122.820 0.017 0.000 2.470 417 A HA 0.646 4.966 4.320 0.000 0.000 0.271 417 A C 0.228 177.819 177.584 0.011 0.000 1.269 417 A CA -0.302 51.742 52.037 0.012 0.000 0.828 417 A CB 0.824 19.825 19.000 0.002 0.000 1.374 417 A HN 0.708 nan 8.150 nan 0.000 0.454 418 S N 0.603 116.307 115.700 0.006 0.000 3.821 418 S HA -0.163 4.307 4.470 0.000 0.000 0.161 418 S C 0.338 174.942 174.600 0.006 0.000 0.337 418 S CA 1.324 59.527 58.200 0.004 0.000 1.411 418 S CB -1.032 62.168 63.200 0.001 0.000 1.415 418 S HN 1.118 nan 8.310 nan 0.000 0.281 419 Q N -3.193 116.612 119.800 0.007 0.000 2.342 419 Q HA -0.240 4.100 4.340 0.000 0.000 0.196 419 Q C 0.550 176.559 176.000 0.016 0.000 0.629 419 Q CA 1.400 57.208 55.803 0.007 0.000 1.365 419 Q CB -2.350 26.390 28.738 0.003 0.000 1.406 419 Q HN 1.285 nan 8.270 nan 0.000 0.840 420 A N 1.029 123.864 122.820 0.025 0.000 2.310 420 A HA 0.597 4.917 4.320 0.000 0.000 0.260 420 A C 0.571 178.192 177.584 0.062 0.000 1.112 420 A CA 0.128 52.189 52.037 0.039 0.000 0.804 420 A CB 0.676 19.699 19.000 0.039 0.000 1.081 420 A HN 0.201 nan 8.150 nan 0.000 0.499 421 R N -0.018 120.535 120.500 0.088 0.000 2.912 421 R HA 0.083 4.423 4.340 0.000 0.000 0.278 421 R C -2.251 174.164 176.300 0.192 0.000 1.533 421 R CA -0.282 55.887 56.100 0.115 0.000 1.061 421 R CB 0.753 31.092 30.300 0.065 0.000 1.313 421 R HN 0.794 nan 8.270 nan 0.000 0.443 422 W N 4.614 125.939 121.300 0.042 0.000 2.322 422 W HA 0.363 5.023 4.660 0.000 0.000 0.307 422 W C -0.591 176.015 176.519 0.145 0.000 1.220 422 W CA -0.287 57.079 57.345 0.035 0.000 1.210 422 W CB 1.207 30.627 29.460 -0.067 0.000 1.223 422 W HN 0.359 nan 8.180 nan 0.000 0.511 423 T N 5.615 120.127 114.554 -0.070 0.000 2.833 423 T HA 0.743 5.093 4.350 0.000 0.000 0.297 423 T C -0.188 174.344 174.700 -0.280 0.000 1.015 423 T CA 0.301 62.257 62.100 -0.239 0.000 0.963 423 T CB -0.016 68.817 68.868 -0.058 0.000 0.955 423 T HN 1.011 nan 8.240 nan 0.000 0.449 424 G N 2.492 110.992 108.800 -0.500 0.000 2.348 424 G HA2 0.720 4.680 3.960 0.000 0.000 0.296 424 G HA3 0.720 4.680 3.960 0.000 0.000 0.296 424 G C -1.564 173.321 174.900 -0.026 0.000 1.258 424 G CA -0.162 44.878 45.100 -0.100 0.000 0.868 424 G HN 1.159 nan 8.290 nan 0.000 0.488 425 A N -1.415 121.542 122.820 0.229 0.000 2.556 425 A HA 0.977 5.297 4.320 0.000 0.000 0.294 425 A C -0.613 177.175 177.584 0.340 0.000 1.091 425 A CA -0.197 52.007 52.037 0.278 0.000 0.704 425 A CB 1.893 20.983 19.000 0.150 0.000 1.300 425 A HN 1.416 nan 8.150 nan 0.000 0.406 426 T N 1.024 115.758 114.554 0.300 0.000 2.942 426 T HA 0.521 4.871 4.350 0.000 0.000 0.327 426 T C -0.222 174.556 174.700 0.130 0.000 1.360 426 T CA -0.610 61.602 62.100 0.188 0.000 1.055 426 T CB 1.429 70.394 68.868 0.161 0.000 1.261 426 T HN 0.840 nan 8.240 nan 0.000 0.485 427 R N 0.384 120.920 120.500 0.061 0.000 2.642 427 R HA 0.592 4.932 4.340 0.000 0.000 0.435 427 R C 0.322 176.622 176.300 0.000 0.000 1.046 427 R CA -0.198 55.928 56.100 0.044 0.000 1.103 427 R CB -0.280 30.046 30.300 0.043 0.000 1.425 427 R HN 0.522 nan 8.270 nan 0.000 0.586 428 A N 0.469 123.270 122.820 -0.031 0.000 2.287 428 A HA 0.305 4.625 4.320 0.000 0.000 0.214 428 A C 0.387 177.920 177.584 -0.085 0.000 1.228 428 A CA 0.040 52.033 52.037 -0.072 0.000 0.939 428 A CB 0.698 19.625 19.000 -0.122 0.000 0.992 428 A HN 0.054 nan 8.150 nan 0.000 0.502 429 V N 2.293 122.152 119.914 -0.091 0.000 2.470 429 V HA 0.042 4.162 4.120 0.000 0.000 0.276 429 V C 0.553 176.608 176.094 -0.064 0.000 1.040 429 V CA 0.073 62.303 62.300 -0.117 0.000 1.008 429 V CB 0.816 32.534 31.823 -0.175 0.000 0.990 429 V HN 0.413 nan 8.190 nan 0.000 0.477 430 D N 2.622 122.984 120.400 -0.063 0.000 2.162 430 D HA -0.028 4.612 4.640 0.000 0.000 0.203 430 D C 1.065 177.355 176.300 -0.018 0.000 0.967 430 D CA 1.387 55.368 54.000 -0.033 0.000 0.840 430 D CB 0.486 41.266 40.800 -0.034 0.000 0.972 430 D HN 0.641 nan 8.370 nan 0.000 0.482 431 S N 0.397 116.077 115.700 -0.033 0.000 2.609 431 S HA 0.356 4.826 4.470 0.000 0.000 0.250 431 S C -1.292 173.290 174.600 -0.030 0.000 1.112 431 S CA -0.924 57.267 58.200 -0.015 0.000 1.102 431 S CB 0.472 63.666 63.200 -0.010 0.000 1.124 431 S HN 0.017 nan 8.310 nan 0.000 0.460 432 L N 4.614 125.831 121.223 -0.010 0.000 2.295 432 L HA 0.872 5.213 4.340 0.000 0.000 0.285 432 L C -0.278 176.611 176.870 0.033 0.000 1.035 432 L CA 0.218 55.049 54.840 -0.015 0.000 0.806 432 L CB 1.839 43.885 42.059 -0.023 0.000 1.214 432 L HN 0.774 nan 8.230 nan 0.000 0.426 433 S N 5.948 121.660 115.700 0.021 0.000 2.733 433 S HA 0.637 5.107 4.470 0.000 0.000 0.307 433 S C -0.575 174.051 174.600 0.045 0.000 1.127 433 S CA -0.664 57.559 58.200 0.039 0.000 1.097 433 S CB 0.126 63.341 63.200 0.024 0.000 1.003 433 S HN 0.541 nan 8.310 nan 0.000 0.477 434 I N 3.530 124.140 120.570 0.066 0.000 2.365 434 I HA 0.477 4.647 4.170 0.000 0.000 0.291 434 I C -0.238 175.902 176.117 0.038 0.000 1.004 434 I CA -0.216 61.122 61.300 0.064 0.000 1.311 434 I CB 1.083 39.133 38.000 0.084 0.000 1.401 434 I HN 0.632 nan 8.210 nan 0.000 0.491 435 D N 6.879 127.296 120.400 0.029 0.000 2.478 435 D HA 0.098 4.738 4.640 0.000 0.000 0.240 435 D C -0.251 176.056 176.300 0.012 0.000 1.364 435 D CA -0.459 53.552 54.000 0.018 0.000 0.987 435 D CB 0.685 41.495 40.800 0.016 0.000 1.328 435 D HN 0.546 nan 8.370 nan 0.000 0.584 436 N N 2.086 120.789 118.700 0.005 0.000 2.727 436 N HA -0.215 4.525 4.740 0.000 0.000 0.249 436 N C -1.627 173.886 175.510 0.005 0.000 1.048 436 N CA 1.410 54.460 53.050 0.000 0.000 0.714 436 N CB -0.981 37.506 38.487 -0.001 0.000 0.959 436 N HN 0.622 nan 8.380 nan 0.000 0.544 437 A N -1.253 121.573 122.820 0.011 0.000 2.533 437 A HA 0.837 5.157 4.320 0.000 0.000 0.293 437 A C -0.397 177.202 177.584 0.026 0.000 1.228 437 A CA 0.075 52.127 52.037 0.025 0.000 0.689 437 A CB 1.560 20.586 19.000 0.044 0.000 1.303 437 A HN 0.687 nan 8.150 nan 0.000 0.444 438 T N -0.737 113.848 114.554 0.053 0.000 2.971 438 T HA 0.481 4.831 4.350 0.000 0.000 0.304 438 T C -2.179 172.605 174.700 0.140 0.000 1.038 438 T CA -0.050 62.080 62.100 0.050 0.000 1.007 438 T CB 0.971 69.834 68.868 -0.007 0.000 1.055 438 T HN 1.342 nan 8.240 nan 0.000 0.451 439 W N 7.379 128.625 121.300 -0.089 0.000 2.288 439 W HA 0.569 5.229 4.660 0.000 0.000 0.325 439 W C -1.293 175.062 176.519 -0.273 0.000 1.019 439 W CA -1.623 55.615 57.345 -0.178 0.000 1.403 439 W CB 0.099 29.469 29.460 -0.150 0.000 1.226 439 W HN 0.490 nan 8.180 nan 0.000 0.391 440 V N 9.197 129.041 119.914 -0.116 0.000 2.397 440 V HA 0.009 4.130 4.120 0.000 0.000 0.262 440 V C 0.770 176.557 176.094 -0.512 0.000 1.047 440 V CA -0.077 62.050 62.300 -0.289 0.000 1.003 440 V CB 0.219 31.955 31.823 -0.144 0.000 1.037 440 V HN 0.615 nan 8.190 nan 0.000 0.480 441 M N 5.266 124.329 119.600 -0.894 0.000 2.120 441 M HA 0.185 4.665 4.480 0.000 0.000 0.354 441 M C 1.194 177.225 176.300 -0.449 0.000 1.287 441 M CA -0.198 54.526 55.300 -0.960 0.000 1.103 441 M CB 1.256 32.897 32.600 -1.598 0.000 1.623 441 M HN 0.818 nan 8.290 nan 0.000 0.471 442 T N 0.317 114.733 114.554 -0.230 0.000 3.044 442 T HA 0.257 4.607 4.350 0.000 0.000 0.250 442 T C 0.180 174.838 174.700 -0.071 0.000 1.081 442 T CA -0.043 61.988 62.100 -0.114 0.000 1.040 442 T CB 0.211 69.046 68.868 -0.055 0.000 0.962 442 T HN 0.677 nan 8.240 nan 0.000 0.506 443 D N 0.140 120.493 120.400 -0.079 0.000 2.710 443 D HA 0.247 4.887 4.640 0.000 0.000 0.276 443 D C -1.426 174.851 176.300 -0.037 0.000 1.267 443 D CA -0.667 53.309 54.000 -0.039 0.000 0.772 443 D CB 1.291 42.092 40.800 0.001 0.000 1.299 443 D HN -0.076 nan 8.370 nan 0.000 0.421 444 N N 0.122 118.816 118.700 -0.010 0.000 2.225 444 N HA 0.136 4.876 4.740 0.000 0.000 0.257 444 N C -0.734 174.812 175.510 0.059 0.000 1.252 444 N CA 0.911 53.973 53.050 0.020 0.000 0.833 444 N CB 0.295 38.797 38.487 0.025 0.000 1.068 444 N HN 0.172 nan 8.380 nan 0.000 0.468 445 S N 1.044 116.795 115.700 0.087 0.000 2.579 445 S HA 0.484 4.954 4.470 0.000 0.000 0.272 445 S C -0.934 173.770 174.600 0.173 0.000 1.141 445 S CA -0.931 57.373 58.200 0.175 0.000 0.843 445 S CB 1.925 65.335 63.200 0.349 0.000 1.122 445 S HN 0.525 nan 8.310 nan 0.000 0.468 446 N N 1.078 119.882 118.700 0.173 0.000 2.410 446 N HA 0.615 5.355 4.740 0.000 0.000 0.287 446 N C -1.816 173.771 175.510 0.128 0.000 1.044 446 N CA -0.174 52.956 53.050 0.133 0.000 0.881 446 N CB 1.875 40.413 38.487 0.084 0.000 1.405 446 N HN 0.282 nan 8.380 nan 0.000 0.490 447 V N 1.001 120.996 119.914 0.136 0.000 2.841 447 V HA 0.437 4.557 4.120 0.000 0.000 0.310 447 V C 1.201 177.346 176.094 0.085 0.000 1.090 447 V CA -0.636 61.726 62.300 0.104 0.000 0.930 447 V CB 1.716 33.629 31.823 0.150 0.000 1.014 447 V HN 0.787 nan 8.190 nan 0.000 0.425 448 G N 2.485 111.316 108.800 0.052 0.000 2.752 448 G HA2 0.226 4.186 3.960 0.000 0.000 0.209 448 G HA3 0.226 4.186 3.960 0.000 0.000 0.209 448 G C 0.564 175.499 174.900 0.059 0.000 1.392 448 G CA 0.681 45.809 45.100 0.046 0.000 0.873 448 G HN 1.127 nan 8.290 nan 0.000 0.586 449 A N -0.243 122.607 122.820 0.050 0.000 2.269 449 A HA 0.615 4.935 4.320 0.000 0.000 0.302 449 A C -0.731 176.898 177.584 0.076 0.000 1.266 449 A CA -0.365 51.708 52.037 0.061 0.000 0.894 449 A CB 0.867 19.894 19.000 0.046 0.000 1.147 449 A HN 0.441 nan 8.150 nan 0.000 0.537 450 L N 2.911 124.197 121.223 0.106 0.000 2.307 450 L HA 0.649 4.989 4.340 0.000 0.000 0.282 450 L C 0.264 177.204 176.870 0.117 0.000 1.051 450 L CA -0.052 54.866 54.840 0.131 0.000 0.804 450 L CB 1.015 43.188 42.059 0.191 0.000 1.197 450 L HN 0.755 nan 8.230 nan 0.000 0.431 451 R N 4.893 125.457 120.500 0.108 0.000 2.533 451 R HA 0.628 4.968 4.340 0.000 0.000 0.288 451 R C -2.085 174.272 176.300 0.096 0.000 1.039 451 R CA -0.567 55.595 56.100 0.103 0.000 0.909 451 R CB 1.244 31.588 30.300 0.074 0.000 1.195 451 R HN 0.670 nan 8.270 nan 0.000 0.438 452 L N 2.286 123.580 121.223 0.118 0.000 2.286 452 L HA 0.954 5.294 4.340 0.000 0.000 0.265 452 L C -0.581 176.332 176.870 0.072 0.000 1.012 452 L CA -0.673 54.219 54.840 0.087 0.000 0.818 452 L CB 2.059 44.166 42.059 0.080 0.000 1.337 452 L HN 0.865 nan 8.230 nan 0.000 0.438 453 A N -0.857 121.989 122.820 0.042 0.000 2.590 453 A HA 0.579 4.899 4.320 0.000 0.000 0.294 453 A C -0.362 177.229 177.584 0.012 0.000 1.046 453 A CA -0.331 51.721 52.037 0.024 0.000 0.684 453 A CB 0.863 19.875 19.000 0.020 0.000 1.279 453 A HN 0.684 nan 8.150 nan 0.000 0.415 454 S N 1.858 117.561 115.700 0.004 0.000 3.477 454 S HA -0.138 4.332 4.470 0.000 0.000 0.371 454 S C 0.188 174.785 174.600 -0.004 0.000 0.965 454 S CA 1.506 59.705 58.200 -0.001 0.000 1.239 454 S CB -1.246 61.953 63.200 -0.001 0.000 0.918 454 S HN 1.317 nan 8.310 nan 0.000 0.498 455 D N -2.375 118.022 120.400 -0.005 0.000 3.090 455 D HA -0.133 4.507 4.640 0.000 0.000 0.215 455 D C 0.616 176.902 176.300 -0.024 0.000 1.140 455 D CA 1.379 55.371 54.000 -0.014 0.000 0.937 455 D CB -1.515 39.274 40.800 -0.019 0.000 1.108 455 D HN 0.961 nan 8.370 nan 0.000 0.420 456 G N 0.835 109.625 108.800 -0.017 0.000 2.272 456 G HA2 0.339 4.299 3.960 0.000 0.000 0.247 456 G HA3 0.339 4.299 3.960 0.000 0.000 0.247 456 G C 0.511 175.364 174.900 -0.079 0.000 1.272 456 G CA 0.790 45.874 45.100 -0.026 0.000 0.921 456 G HN 0.354 nan 8.290 nan 0.000 0.495 457 S N 0.069 115.713 115.700 -0.093 0.000 2.599 457 S HA 0.670 5.140 4.470 0.000 0.000 0.294 457 S C -0.768 173.715 174.600 -0.194 0.000 1.094 457 S CA -0.882 57.214 58.200 -0.173 0.000 0.931 457 S CB 2.475 65.601 63.200 -0.122 0.000 1.093 457 S HN 0.669 nan 8.310 nan 0.000 0.488 458 V N 2.228 121.946 119.914 -0.327 0.000 2.276 458 V HA 0.339 4.459 4.120 0.000 0.000 0.268 458 V C -0.716 175.275 176.094 -0.171 0.000 1.032 458 V CA -0.586 61.529 62.300 -0.310 0.000 0.810 458 V CB 0.528 32.114 31.823 -0.395 0.000 1.060 458 V HN 1.001 nan 8.190 nan 0.000 0.446 459 D N 3.978 124.271 120.400 -0.179 0.000 2.374 459 D HA 0.214 4.854 4.640 0.000 0.000 0.240 459 D C -0.103 176.142 176.300 -0.091 0.000 1.229 459 D CA -0.229 53.735 54.000 -0.059 0.000 0.895 459 D CB 0.292 41.041 40.800 -0.086 0.000 1.046 459 D HN 0.227 nan 8.370 nan 0.000 0.498 460 F N 2.438 122.286 119.950 -0.170 0.000 2.578 460 F HA 0.070 4.597 4.527 0.000 0.000 0.381 460 F C 1.427 177.170 175.800 -0.095 0.000 1.069 460 F CA 0.123 58.030 58.000 -0.154 0.000 1.231 460 F CB 0.307 39.269 39.000 -0.064 0.000 1.086 460 F HN 0.324 nan 8.300 nan 0.000 0.564 461 Q N 3.087 122.892 119.800 0.009 0.000 2.327 461 Q HA 0.064 4.404 4.340 0.000 0.000 0.254 461 Q C -0.151 175.898 176.000 0.082 0.000 0.952 461 Q CA -0.622 55.188 55.803 0.013 0.000 0.884 461 Q CB 0.763 29.476 28.738 -0.042 0.000 1.224 461 Q HN 0.660 nan 8.270 nan 0.000 0.422 462 Q N 5.228 125.074 119.800 0.078 0.000 2.286 462 Q HA 0.200 4.540 4.340 0.000 0.000 0.267 462 Q C -2.079 173.985 176.000 0.107 0.000 1.028 462 Q CA -1.604 54.262 55.803 0.105 0.000 0.901 462 Q CB 0.698 29.489 28.738 0.087 0.000 1.183 462 Q HN 0.388 nan 8.270 nan 0.000 0.392 463 P HA 0.019 nan 4.420 nan 0.000 0.271 463 P C -0.668 176.688 177.300 0.095 0.000 1.218 463 P CA 0.089 63.260 63.100 0.117 0.000 0.780 463 P CB 1.295 33.083 31.700 0.147 0.000 0.901 464 A N 2.101 124.954 122.820 0.054 0.000 1.903 464 A HA -0.064 4.256 4.320 0.000 0.000 0.213 464 A C 1.116 178.718 177.584 0.031 0.000 1.185 464 A CA 0.754 52.816 52.037 0.042 0.000 0.628 464 A CB -0.797 18.220 19.000 0.027 0.000 0.830 464 A HN 0.639 nan 8.150 nan 0.000 0.446 465 E N 0.965 121.171 120.200 0.009 0.000 2.265 465 E HA 0.432 4.782 4.350 0.000 0.000 0.272 465 E C 0.011 176.584 176.600 -0.044 0.000 1.067 465 E CA 0.245 56.631 56.400 -0.024 0.000 0.900 465 E CB 0.427 30.097 29.700 -0.050 0.000 1.017 465 E HN 0.438 nan 8.360 nan 0.000 0.431 466 A N 3.839 126.635 122.820 -0.040 0.000 2.462 466 A HA 0.498 4.818 4.320 0.000 0.000 0.243 466 A C 1.384 178.804 177.584 -0.272 0.000 1.076 466 A CA 0.284 52.275 52.037 -0.076 0.000 0.773 466 A CB -0.145 18.860 19.000 0.008 0.000 1.010 466 A HN 1.325 nan 8.150 nan 0.000 0.493 467 G N 0.979 109.369 108.800 -0.683 0.000 2.225 467 G HA2 -0.235 3.725 3.960 0.000 0.000 0.254 467 G HA3 -0.235 3.725 3.960 0.000 0.000 0.254 467 G C 0.595 175.084 174.900 -0.685 0.000 0.988 467 G CA 0.463 45.112 45.100 -0.752 0.000 0.625 467 G HN 0.887 nan 8.290 nan 0.000 0.527 468 R N 1.034 121.200 120.500 -0.557 0.000 2.248 468 R HA 0.505 4.845 4.340 0.000 0.000 0.337 468 R C 0.332 176.536 176.300 -0.160 0.000 1.106 468 R CA -0.486 55.419 56.100 -0.324 0.000 0.959 468 R CB -0.457 29.729 30.300 -0.191 0.000 1.075 468 R HN 0.368 nan 8.270 nan 0.000 0.480 469 F N 1.485 121.392 119.950 -0.073 0.000 2.377 469 F HA 0.539 5.066 4.527 0.000 0.000 0.328 469 F C -0.402 175.481 175.800 0.138 0.000 1.094 469 F CA -0.925 57.176 58.000 0.168 0.000 1.093 469 F CB 0.786 39.915 39.000 0.215 0.000 1.214 469 F HN 0.063 nan 8.300 nan 0.000 0.518 470 K N 1.776 122.423 120.400 0.412 0.000 2.203 470 K HA 0.734 5.054 4.320 0.000 0.000 0.251 470 K C -1.523 175.364 176.600 0.478 0.000 0.944 470 K CA -1.141 55.328 56.287 0.304 0.000 0.829 470 K CB 2.590 35.230 32.500 0.235 0.000 1.125 470 K HN 0.563 nan 8.250 nan 0.000 0.430 471 V N 3.130 123.232 119.914 0.314 0.000 2.588 471 V HA 0.313 4.433 4.120 0.000 0.000 0.304 471 V C -1.101 175.109 176.094 0.195 0.000 1.042 471 V CA -0.985 61.507 62.300 0.320 0.000 0.877 471 V CB 1.627 33.607 31.823 0.262 0.000 0.996 471 V HN 0.539 nan 8.190 nan 0.000 0.425 472 L N 5.863 127.224 121.223 0.230 0.000 2.287 472 L HA 0.692 5.032 4.340 0.000 0.000 0.287 472 L C -0.434 176.523 176.870 0.145 0.000 1.022 472 L CA 0.083 54.999 54.840 0.127 0.000 0.814 472 L CB 1.239 43.338 42.059 0.067 0.000 1.217 472 L HN 0.699 nan 8.230 nan 0.000 0.420 473 M N 4.944 124.623 119.600 0.131 0.000 2.268 473 M HA 0.637 5.117 4.480 0.000 0.000 0.344 473 M C -1.189 175.185 176.300 0.123 0.000 1.106 473 M CA -0.482 54.885 55.300 0.111 0.000 1.010 473 M CB 1.887 34.542 32.600 0.092 0.000 1.649 473 M HN 0.436 nan 8.290 nan 0.000 0.443 474 V N 2.452 122.431 119.914 0.108 0.000 2.841 474 V HA 0.211 4.331 4.120 0.000 0.000 0.310 474 V C -0.137 176.008 176.094 0.086 0.000 1.090 474 V CA -0.573 61.794 62.300 0.113 0.000 0.930 474 V CB 2.121 34.026 31.823 0.137 0.000 1.014 474 V HN 0.811 nan 8.190 nan 0.000 0.425 475 D N 1.754 122.202 120.400 0.079 0.000 2.106 475 D HA 0.009 4.649 4.640 0.000 0.000 0.203 475 D C 0.856 177.197 176.300 0.068 0.000 0.977 475 D CA 1.789 55.828 54.000 0.065 0.000 0.844 475 D CB 0.320 41.152 40.800 0.054 0.000 1.002 475 D HN 0.773 nan 8.370 nan 0.000 0.461 476 T N -1.352 113.247 114.554 0.074 0.000 2.900 476 T HA 0.566 4.916 4.350 0.000 0.000 0.295 476 T C -0.958 173.798 174.700 0.093 0.000 1.044 476 T CA -0.991 61.157 62.100 0.079 0.000 0.995 476 T CB 2.055 70.963 68.868 0.067 0.000 1.072 476 T HN -0.014 nan 8.240 nan 0.000 0.473 477 L N 1.897 123.181 121.223 0.101 0.000 2.365 477 L HA 0.958 5.298 4.340 0.000 0.000 0.273 477 L C -0.651 176.305 176.870 0.143 0.000 1.000 477 L CA -0.584 54.325 54.840 0.114 0.000 0.819 477 L CB 1.311 43.423 42.059 0.089 0.000 1.284 477 L HN 1.286 nan 8.230 nan 0.000 0.418 478 A N 2.404 125.326 122.820 0.170 0.000 2.602 478 A HA 0.909 5.229 4.320 0.000 0.000 0.290 478 A C 0.112 177.830 177.584 0.223 0.000 1.114 478 A CA 0.010 52.150 52.037 0.171 0.000 0.683 478 A CB 0.739 19.800 19.000 0.102 0.000 1.281 478 A HN 2.008 nan 8.150 nan 0.000 0.416 479 G N -0.233 108.643 108.800 0.127 0.000 2.512 479 G HA2 0.266 4.226 3.960 0.000 0.000 0.254 479 G HA3 0.266 4.226 3.960 0.000 0.000 0.254 479 G C 0.293 175.197 174.900 0.008 0.000 1.199 479 G CA 0.718 45.865 45.100 0.079 0.000 0.941 479 G HN 2.391 nan 8.290 nan 0.000 0.569 480 S N -0.135 115.596 115.700 0.052 0.000 2.706 480 S HA 0.722 5.192 4.470 0.000 0.000 0.270 480 S C 0.023 174.700 174.600 0.129 0.000 1.163 480 S CA 0.821 58.989 58.200 -0.053 0.000 1.042 480 S CB 0.595 63.722 63.200 -0.123 0.000 1.079 480 S HN 2.347 nan 8.310 nan 0.000 0.474 481 G N 2.312 111.318 108.800 0.343 0.000 2.788 481 G HA2 0.708 4.668 3.960 0.000 0.000 0.293 481 G HA3 0.708 4.668 3.960 0.000 0.000 0.293 481 G C -1.994 172.990 174.900 0.139 0.000 1.392 481 G CA -0.719 44.467 45.100 0.142 0.000 0.810 481 G HN 0.812 nan 8.290 nan 0.000 0.508 482 L N -0.630 120.569 121.223 -0.039 0.000 2.346 482 L HA 0.833 5.173 4.340 0.000 0.000 0.274 482 L C -1.536 175.245 176.870 -0.148 0.000 1.007 482 L CA -0.908 53.956 54.840 0.039 0.000 0.818 482 L CB 1.611 43.688 42.059 0.029 0.000 1.284 482 L HN 0.379 nan 8.230 nan 0.000 0.424 483 F N 3.549 123.571 119.950 0.121 0.000 2.445 483 F HA 0.509 5.036 4.527 0.000 0.000 0.348 483 F C 0.016 175.888 175.800 0.120 0.000 1.125 483 F CA -0.595 57.476 58.000 0.118 0.000 0.983 483 F CB 1.362 40.417 39.000 0.091 0.000 1.198 483 F HN 0.280 nan 8.300 nan 0.000 0.436 484 R N 4.340 124.999 120.500 0.265 0.000 2.298 484 R HA 0.642 4.982 4.340 0.000 0.000 0.310 484 R C -0.574 175.829 176.300 0.171 0.000 1.068 484 R CA -0.054 56.223 56.100 0.295 0.000 0.957 484 R CB 0.908 31.340 30.300 0.220 0.000 1.003 484 R HN 0.649 nan 8.270 nan 0.000 0.454 485 M N 1.837 121.452 119.600 0.025 0.000 2.518 485 M HA 0.340 4.820 4.480 0.000 0.000 0.300 485 M C -0.644 175.516 176.300 -0.232 0.000 1.175 485 M CA -0.899 54.225 55.300 -0.292 0.000 0.890 485 M CB 2.415 34.717 32.600 -0.497 0.000 1.710 485 M HN 0.427 nan 8.290 nan 0.000 0.453 486 N N 1.152 119.690 118.700 -0.270 0.000 2.456 486 N HA 0.571 5.311 4.740 0.000 0.000 0.288 486 N C -1.481 173.638 175.510 -0.651 0.000 1.059 486 N CA -0.277 52.542 53.050 -0.386 0.000 0.946 486 N CB 2.477 40.812 38.487 -0.254 0.000 1.150 486 N HN 0.278 nan 8.380 nan 0.000 0.479 487 V N 2.723 122.133 119.914 -0.841 0.000 2.588 487 V HA 0.463 4.583 4.120 0.000 0.000 0.304 487 V C -1.072 174.458 176.094 -0.940 0.000 1.042 487 V CA -0.651 61.187 62.300 -0.770 0.000 0.877 487 V CB 1.176 32.681 31.823 -0.530 0.000 0.996 487 V HN 0.479 nan 8.190 nan 0.000 0.425 488 F N 3.241 123.112 119.950 -0.132 0.000 2.451 488 F HA 0.568 5.096 4.527 0.000 0.000 0.367 488 F C 1.097 176.828 175.800 -0.115 0.000 1.100 488 F CA -0.383 57.563 58.000 -0.090 0.000 1.171 488 F CB 1.176 40.157 39.000 -0.032 0.000 1.405 488 F HN 0.562 nan 8.300 nan 0.000 0.482 489 A N 1.315 124.104 122.820 -0.051 0.000 1.902 489 A HA -0.204 4.116 4.320 0.000 0.000 0.217 489 A C 2.144 179.716 177.584 -0.020 0.000 1.181 489 A CA 2.033 54.015 52.037 -0.092 0.000 0.623 489 A CB -0.462 18.468 19.000 -0.117 0.000 0.818 489 A HN 0.675 nan 8.150 nan 0.000 0.443 490 D N 0.319 120.726 120.400 0.012 0.000 2.263 490 D HA -0.130 4.510 4.640 0.000 0.000 0.208 490 D C 1.484 177.792 176.300 0.013 0.000 0.971 490 D CA 1.195 55.200 54.000 0.009 0.000 0.867 490 D CB -0.504 40.310 40.800 0.024 0.000 0.929 490 D HN 0.498 nan 8.370 nan 0.000 0.492 491 L N -1.101 120.145 121.223 0.038 0.000 2.556 491 L HA 0.342 4.682 4.340 0.000 0.000 0.226 491 L C 1.553 178.431 176.870 0.014 0.000 1.089 491 L CA 0.300 55.158 54.840 0.029 0.000 0.864 491 L CB 0.030 42.113 42.059 0.041 0.000 1.067 491 L HN 0.193 nan 8.230 nan 0.000 0.477 492 G N 1.364 110.168 108.800 0.006 0.000 2.246 492 G HA2 -0.256 3.704 3.960 0.000 0.000 0.273 492 G HA3 -0.256 3.704 3.960 0.000 0.000 0.273 492 G C -0.212 174.663 174.900 -0.043 0.000 1.055 492 G CA 0.107 45.192 45.100 -0.025 0.000 0.851 492 G HN 0.213 nan 8.290 nan 0.000 0.500 493 L N -0.013 121.212 121.223 0.005 0.000 2.370 493 L HA 0.865 5.205 4.340 0.000 0.000 0.266 493 L C 0.301 177.205 176.870 0.057 0.000 1.002 493 L CA -0.440 54.382 54.840 -0.031 0.000 0.818 493 L CB 2.518 44.596 42.059 0.031 0.000 1.325 493 L HN 0.544 nan 8.230 nan 0.000 0.418 494 S N -1.068 114.534 115.700 -0.164 0.000 2.570 494 S HA 0.463 4.933 4.470 0.000 0.000 0.270 494 S C -1.411 173.071 174.600 -0.197 0.000 1.149 494 S CA -1.148 56.968 58.200 -0.141 0.000 0.837 494 S CB 1.924 64.974 63.200 -0.250 0.000 1.124 494 S HN 0.486 nan 8.310 nan 0.000 0.465 495 D N 1.500 121.864 120.400 -0.060 0.000 2.478 495 D HA 0.284 4.924 4.640 0.000 0.000 0.234 495 D C -0.141 176.040 176.300 -0.198 0.000 1.154 495 D CA 0.711 54.686 54.000 -0.042 0.000 0.874 495 D CB 0.331 40.937 40.800 -0.322 0.000 1.198 495 D HN 0.471 nan 8.370 nan 0.000 0.455 496 K N 0.828 121.198 120.400 -0.050 0.000 2.375 496 K HA 0.571 4.891 4.320 0.000 0.000 0.249 496 K C -0.754 175.838 176.600 -0.013 0.000 0.942 496 K CA -0.863 55.367 56.287 -0.095 0.000 0.806 496 K CB 2.359 34.828 32.500 -0.051 0.000 1.227 496 K HN 0.250 nan 8.250 nan 0.000 0.430 497 L N 3.131 124.281 121.223 -0.122 0.000 2.343 497 L HA 0.460 4.800 4.340 0.000 0.000 0.278 497 L C -1.464 175.345 176.870 -0.101 0.000 0.996 497 L CA -0.932 53.857 54.840 -0.085 0.000 0.831 497 L CB 1.393 43.264 42.059 -0.314 0.000 1.232 497 L HN 0.362 nan 8.230 nan 0.000 0.413 498 V N 5.709 125.618 119.914 -0.009 0.000 2.384 498 V HA 0.418 4.538 4.120 0.000 0.000 0.287 498 V C -0.055 176.053 176.094 0.024 0.000 1.020 498 V CA -0.584 61.716 62.300 0.000 0.000 0.850 498 V CB 1.858 33.700 31.823 0.031 0.000 0.987 498 V HN 0.473 nan 8.190 nan 0.000 0.436 499 V N 6.375 126.302 119.914 0.022 0.000 2.417 499 V HA 0.380 4.500 4.120 0.000 0.000 0.291 499 V C 0.469 176.597 176.094 0.057 0.000 1.024 499 V CA -0.255 62.076 62.300 0.052 0.000 0.861 499 V CB 1.640 33.503 31.823 0.067 0.000 0.985 499 V HN 0.909 nan 8.190 nan 0.000 0.436 500 M N 2.773 122.408 119.600 0.059 0.000 2.615 500 M HA 0.255 4.735 4.480 0.000 0.000 0.262 500 M C 1.950 178.281 176.300 0.052 0.000 1.198 500 M CA 0.711 56.043 55.300 0.052 0.000 1.165 500 M CB 0.360 32.989 32.600 0.049 0.000 1.310 500 M HN 0.555 nan 8.290 nan 0.000 0.494 501 R N 0.001 120.535 120.500 0.056 0.000 2.140 501 R HA 0.079 4.419 4.340 0.000 0.000 0.200 501 R C -0.326 176.009 176.300 0.059 0.000 1.069 501 R CA 0.791 56.922 56.100 0.052 0.000 1.088 501 R CB 0.821 31.149 30.300 0.047 0.000 1.012 501 R HN 0.152 nan 8.270 nan 0.000 0.500 502 D N -0.237 120.203 120.400 0.068 0.000 2.931 502 D HA 0.308 4.948 4.640 0.000 0.000 0.215 502 D C -2.007 174.348 176.300 0.092 0.000 1.297 502 D CA -0.224 53.821 54.000 0.075 0.000 0.892 502 D CB 2.208 43.046 40.800 0.064 0.000 1.642 502 D HN 0.205 nan 8.370 nan 0.000 0.560 503 A N 2.014 124.899 122.820 0.108 0.000 2.386 503 A HA 0.842 5.162 4.320 0.000 0.000 0.311 503 A C -0.795 176.861 177.584 0.121 0.000 1.068 503 A CA -0.360 51.756 52.037 0.132 0.000 0.743 503 A CB 1.540 20.645 19.000 0.176 0.000 1.258 503 A HN 0.728 nan 8.150 nan 0.000 0.429 504 S N 0.126 115.901 115.700 0.125 0.000 2.552 504 S HA 0.897 5.367 4.470 0.000 0.000 0.272 504 S C -0.155 174.467 174.600 0.037 0.000 1.150 504 S CA -0.013 58.228 58.200 0.069 0.000 0.849 504 S CB 0.848 64.081 63.200 0.054 0.000 1.113 504 S HN 2.831 nan 8.310 nan 0.000 0.458 505 G N 0.756 109.490 108.800 -0.111 0.000 2.603 505 G HA2 0.159 4.119 3.960 0.000 0.000 0.686 505 G HA3 0.159 4.119 3.960 0.000 0.000 0.686 505 G C -1.452 173.085 174.900 -0.606 0.000 1.286 505 G CA -0.867 44.049 45.100 -0.306 0.000 0.871 505 G HN 0.927 nan 8.290 nan 0.000 0.568 506 Q N 0.559 119.981 119.800 -0.630 0.000 2.331 506 Q HA 0.629 4.969 4.340 0.000 0.000 0.257 506 Q C -0.030 175.535 176.000 -0.725 0.000 0.957 506 Q CA -0.035 55.432 55.803 -0.561 0.000 0.923 506 Q CB 0.793 29.365 28.738 -0.278 0.000 1.212 506 Q HN 0.647 nan 8.270 nan 0.000 0.443 507 H N 0.515 119.343 119.070 -0.402 0.000 2.731 507 H HA 0.644 5.200 4.556 0.000 0.000 0.368 507 H C -0.634 174.668 175.328 -0.043 0.000 1.168 507 H CA -1.008 54.913 56.048 -0.211 0.000 1.181 507 H CB 1.595 31.207 29.762 -0.250 0.000 1.743 507 H HN 0.318 nan 8.280 nan 0.000 0.547 508 R N 1.431 122.099 120.500 0.280 0.000 2.494 508 R HA 0.469 4.809 4.340 0.000 0.000 0.305 508 R C -1.148 175.355 176.300 0.337 0.000 0.959 508 R CA -0.690 55.555 56.100 0.242 0.000 0.864 508 R CB 1.528 31.932 30.300 0.172 0.000 1.159 508 R HN 0.381 nan 8.270 nan 0.000 0.446 509 L N 2.148 123.524 121.223 0.255 0.000 2.322 509 L HA 0.490 4.830 4.340 0.000 0.000 0.281 509 L C -0.951 176.044 176.870 0.208 0.000 1.014 509 L CA -0.679 54.287 54.840 0.211 0.000 0.815 509 L CB 1.328 43.423 42.059 0.060 0.000 1.247 509 L HN 0.579 nan 8.230 nan 0.000 0.421 510 W N 4.351 125.670 121.300 0.033 0.000 2.361 510 W HA 0.593 5.253 4.660 0.000 0.000 0.314 510 W C -1.101 175.386 176.519 -0.052 0.000 1.041 510 W CA -0.564 56.780 57.345 -0.002 0.000 1.241 510 W CB 1.419 30.883 29.460 0.007 0.000 1.279 510 W HN 0.115 nan 8.180 nan 0.000 0.436 511 V N 7.217 126.727 119.914 -0.675 0.000 2.509 511 V HA 0.417 4.537 4.120 0.000 0.000 0.284 511 V C 0.097 175.557 176.094 -1.057 0.000 1.047 511 V CA -0.742 61.169 62.300 -0.649 0.000 0.952 511 V CB 1.327 32.854 31.823 -0.495 0.000 0.988 511 V HN 0.498 nan 8.190 nan 0.000 0.469 512 R N 3.573 123.712 120.500 -0.601 0.000 2.387 512 R HA 0.364 4.704 4.340 0.000 0.000 0.314 512 R C -0.365 175.724 176.300 -0.351 0.000 0.958 512 R CA -0.697 55.150 56.100 -0.422 0.000 0.846 512 R CB 0.894 31.201 30.300 0.011 0.000 1.147 512 R HN 0.764 nan 8.270 nan 0.000 0.447 513 N N 1.226 119.757 118.700 -0.283 0.000 2.442 513 N HA 0.057 4.797 4.740 0.000 0.000 0.265 513 N C -0.874 174.531 175.510 -0.174 0.000 1.138 513 N CA 0.358 53.264 53.050 -0.239 0.000 0.956 513 N CB 1.083 39.474 38.487 -0.160 0.000 1.067 513 N HN 0.505 nan 8.380 nan 0.000 0.474 514 S N 1.214 116.770 115.700 -0.240 0.000 3.009 514 S HA 0.355 4.825 4.470 0.000 0.000 0.254 514 S C 0.079 174.758 174.600 0.131 0.000 1.004 514 S CA -0.286 57.852 58.200 -0.103 0.000 1.119 514 S CB 0.769 63.841 63.200 -0.213 0.000 1.075 514 S HN 0.681 nan 8.310 nan 0.000 0.618 515 G N 2.301 111.148 108.800 0.078 0.000 3.627 515 G HA2 0.385 4.345 3.960 0.000 0.000 0.295 515 G HA3 0.385 4.345 3.960 0.000 0.000 0.295 515 G C -0.330 174.610 174.900 0.067 0.000 2.784 515 G CA -0.425 44.781 45.100 0.178 0.000 0.644 515 G HN 0.262 nan 8.290 nan 0.000 0.341 516 S N 0.491 116.219 115.700 0.046 0.000 2.624 516 S HA 0.644 5.114 4.470 0.000 0.000 0.263 516 S C 0.143 174.766 174.600 0.038 0.000 1.287 516 S CA -0.152 58.065 58.200 0.028 0.000 0.990 516 S CB 1.362 64.579 63.200 0.027 0.000 0.950 516 S HN 0.721 nan 8.310 nan 0.000 0.561 517 E N 0.388 120.616 120.200 0.047 0.000 3.783 517 E HA -0.072 4.278 4.350 0.000 0.000 0.154 517 E C -2.774 173.845 176.600 0.033 0.000 1.748 517 E CA 0.427 56.861 56.400 0.057 0.000 0.854 517 E CB -1.340 28.391 29.700 0.052 0.000 1.075 517 E HN 0.615 nan 8.360 nan 0.000 0.360 518 P HA 0.322 nan 4.420 nan 0.000 0.290 518 P C 0.430 177.661 177.300 -0.116 0.000 1.276 518 P CA 0.044 63.095 63.100 -0.081 0.000 0.808 518 P CB 1.686 33.289 31.700 -0.162 0.000 0.966 519 A N 3.276 126.047 122.820 -0.083 0.000 1.865 519 A HA -0.050 4.270 4.320 0.000 0.000 0.217 519 A C 1.079 178.608 177.584 -0.092 0.000 1.191 519 A CA 1.633 53.643 52.037 -0.045 0.000 0.623 519 A CB -0.957 18.027 19.000 -0.025 0.000 0.826 519 A HN 0.627 nan 8.150 nan 0.000 0.444 520 S N -2.139 113.441 115.700 -0.199 0.000 2.801 520 S HA 0.699 5.169 4.470 0.000 0.000 0.312 520 S C -0.146 174.080 174.600 -0.624 0.000 1.112 520 S CA -0.240 57.812 58.200 -0.248 0.000 0.943 520 S CB 1.346 64.485 63.200 -0.101 0.000 1.269 520 S HN 0.860 nan 8.310 nan 0.000 0.558 521 A N 2.014 124.593 122.820 -0.400 0.000 2.260 521 A HA 0.608 4.928 4.320 0.000 0.000 0.308 521 A C -0.191 177.311 177.584 -0.137 0.000 1.254 521 A CA -0.821 51.011 52.037 -0.341 0.000 0.874 521 A CB -0.508 18.427 19.000 -0.108 0.000 1.153 521 A HN 0.812 nan 8.150 nan 0.000 0.527 522 N N 1.275 119.952 118.700 -0.038 0.000 2.310 522 N HA 0.437 5.177 4.740 0.000 0.000 0.292 522 N C -0.502 175.075 175.510 0.113 0.000 1.049 522 N CA -0.591 52.471 53.050 0.020 0.000 0.849 522 N CB 1.697 40.178 38.487 -0.011 0.000 1.532 522 N HN 0.508 nan 8.380 nan 0.000 0.479 523 T N -0.203 114.385 114.554 0.056 0.000 2.932 523 T HA 0.299 4.649 4.350 0.000 0.000 0.312 523 T C 0.089 174.791 174.700 0.003 0.000 1.071 523 T CA -0.177 61.954 62.100 0.053 0.000 1.128 523 T CB 0.407 69.281 68.868 0.009 0.000 0.984 523 T HN 0.557 nan 8.240 nan 0.000 0.549 524 M N 2.958 122.541 119.600 -0.028 0.000 2.183 524 M HA 0.320 4.800 4.480 0.000 0.000 0.277 524 M C -0.935 175.298 176.300 -0.112 0.000 0.995 524 M CA -0.937 54.305 55.300 -0.097 0.000 0.969 524 M CB 2.140 34.647 32.600 -0.156 0.000 1.659 524 M HN 0.612 nan 8.290 nan 0.000 0.462 525 L N 3.764 124.916 121.223 -0.118 0.000 2.499 525 L HA 0.150 4.490 4.340 0.000 0.000 0.273 525 L C -0.156 176.619 176.870 -0.158 0.000 1.195 525 L CA 0.873 55.644 54.840 -0.115 0.000 0.882 525 L CB 0.347 42.345 42.059 -0.103 0.000 1.133 525 L HN 0.882 nan 8.230 nan 0.000 0.483 526 L N 4.488 125.621 121.223 -0.150 0.000 2.624 526 L HA 0.312 4.652 4.340 0.000 0.000 0.222 526 L C -0.426 176.282 176.870 -0.271 0.000 1.046 526 L CA 0.058 54.766 54.840 -0.221 0.000 0.872 526 L CB 0.618 42.544 42.059 -0.222 0.000 1.190 526 L HN 0.405 nan 8.230 nan 0.000 0.487 527 V N 0.088 119.858 119.914 -0.239 0.000 2.760 527 V HA 0.375 4.495 4.120 0.000 0.000 0.309 527 V C -1.107 174.912 176.094 -0.126 0.000 1.077 527 V CA -0.600 61.496 62.300 -0.341 0.000 0.910 527 V CB 2.028 33.347 31.823 -0.839 0.000 1.008 527 V HN 0.145 nan 8.190 nan 0.000 0.424 528 Q N 2.882 122.620 119.800 -0.104 0.000 2.330 528 Q HA 0.779 5.119 4.340 0.000 0.000 0.269 528 Q C -0.593 175.423 176.000 0.026 0.000 1.022 528 Q CA -0.215 55.586 55.803 -0.004 0.000 0.796 528 Q CB 2.190 30.923 28.738 -0.008 0.000 1.271 528 Q HN 1.014 nan 8.270 nan 0.000 0.450 529 T N 1.202 115.814 114.554 0.097 0.000 2.901 529 T HA 0.754 5.104 4.350 0.000 0.000 0.293 529 T C -2.517 172.249 174.700 0.109 0.000 1.084 529 T CA -1.882 60.293 62.100 0.125 0.000 1.008 529 T CB 1.399 70.399 68.868 0.219 0.000 1.170 529 T HN 0.492 nan 8.240 nan 0.000 0.509 530 P HA 0.148 nan 4.420 nan 0.000 0.280 530 P C 1.076 178.423 177.300 0.078 0.000 1.278 530 P CA -0.499 62.647 63.100 0.077 0.000 0.787 530 P CB 0.475 32.218 31.700 0.073 0.000 1.163 531 R N -0.222 120.313 120.500 0.058 0.000 2.795 531 R HA -0.208 4.132 4.340 0.000 0.000 0.190 531 R C 1.246 177.580 176.300 0.056 0.000 0.723 531 R CA 2.371 58.500 56.100 0.049 0.000 0.596 531 R CB -1.815 28.510 30.300 0.042 0.000 0.655 531 R HN 0.772 nan 8.270 nan 0.000 0.383 532 G N 0.668 109.503 108.800 0.059 0.000 3.565 532 G HA2 0.311 4.271 3.960 0.000 0.000 0.346 532 G HA3 0.311 4.271 3.960 0.000 0.000 0.346 532 G C -0.522 174.431 174.900 0.088 0.000 1.363 532 G CA -0.283 44.856 45.100 0.066 0.000 1.134 532 G HN 0.278 nan 8.290 nan 0.000 0.471 533 S N 0.345 116.120 115.700 0.125 0.000 2.593 533 S HA 0.420 4.891 4.470 0.000 0.000 0.269 533 S C 1.586 176.275 174.600 0.149 0.000 1.334 533 S CA 0.213 58.499 58.200 0.144 0.000 1.015 533 S CB 1.049 64.366 63.200 0.195 0.000 0.912 533 S HN 0.796 nan 8.310 nan 0.000 0.541 534 A N 2.121 125.013 122.820 0.120 0.000 2.251 534 A HA 0.529 4.849 4.320 0.000 0.000 0.209 534 A C 0.819 178.458 177.584 0.092 0.000 1.187 534 A CA 0.268 52.362 52.037 0.096 0.000 0.823 534 A CB -0.407 18.628 19.000 0.059 0.000 0.846 534 A HN 0.882 nan 8.150 nan 0.000 0.486 535 A N 0.551 123.447 122.820 0.127 0.000 2.363 535 A HA 0.555 4.875 4.320 0.000 0.000 0.270 535 A C 0.353 177.933 177.584 -0.006 0.000 1.121 535 A CA 0.015 52.055 52.037 0.004 0.000 0.800 535 A CB -0.042 18.977 19.000 0.033 0.000 1.052 535 A HN 0.323 nan 8.150 nan 0.000 0.493 536 T N 1.319 115.713 114.554 -0.267 0.000 2.859 536 T HA 0.679 5.029 4.350 0.000 0.000 0.281 536 T C -0.706 173.512 174.700 -0.805 0.000 1.005 536 T CA -0.117 61.845 62.100 -0.230 0.000 1.025 536 T CB 0.666 69.512 68.868 -0.037 0.000 0.977 536 T HN 0.328 nan 8.240 nan 0.000 0.458 537 F N 1.257 120.696 119.950 -0.852 0.000 2.546 537 F HA 0.693 5.220 4.527 0.000 0.000 0.320 537 F C 0.635 176.329 175.800 -0.177 0.000 1.076 537 F CA -0.755 56.863 58.000 -0.637 0.000 0.928 537 F CB 2.516 40.874 39.000 -1.069 0.000 1.189 537 F HN 0.710 nan 8.300 nan 0.000 0.465 538 T N 0.321 114.950 114.554 0.124 0.000 2.952 538 T HA 0.540 4.891 4.350 0.000 0.000 0.305 538 T C -1.327 173.459 174.700 0.143 0.000 1.064 538 T CA -0.800 61.393 62.100 0.155 0.000 1.008 538 T CB 1.505 70.437 68.868 0.107 0.000 1.078 538 T HN 0.532 nan 8.240 nan 0.000 0.459 539 L N 3.356 124.656 121.223 0.129 0.000 2.433 539 L HA 0.616 4.956 4.340 0.000 0.000 0.275 539 L C 1.265 178.191 176.870 0.093 0.000 1.128 539 L CA 0.198 55.091 54.840 0.088 0.000 0.875 539 L CB 0.129 42.220 42.059 0.053 0.000 1.171 539 L HN 0.983 nan 8.230 nan 0.000 0.463 540 A N 3.735 126.633 122.820 0.130 0.000 2.208 540 A HA 0.090 4.410 4.320 0.000 0.000 0.209 540 A C 0.770 178.489 177.584 0.225 0.000 1.161 540 A CA -0.041 52.110 52.037 0.189 0.000 0.782 540 A CB -0.873 18.281 19.000 0.257 0.000 0.816 540 A HN 0.818 nan 8.150 nan 0.000 0.477 541 N N 1.517 120.274 118.700 0.094 0.000 2.412 541 N HA 0.170 4.910 4.740 0.000 0.000 0.258 541 N C 0.164 175.719 175.510 0.074 0.000 1.236 541 N CA 0.084 53.153 53.050 0.031 0.000 0.882 541 N CB 0.336 38.707 38.487 -0.193 0.000 1.066 541 N HN 0.028 nan 8.380 nan 0.000 0.465 542 K N 1.856 122.320 120.400 0.106 0.000 2.527 542 K HA -0.074 4.246 4.320 0.000 0.000 0.278 542 K C -0.206 176.425 176.600 0.051 0.000 0.981 542 K CA 0.451 56.787 56.287 0.081 0.000 1.009 542 K CB -0.031 32.517 32.500 0.081 0.000 0.895 542 K HN 0.637 nan 8.250 nan 0.000 0.493 543 D N 1.996 122.424 120.400 0.046 0.000 3.028 543 D HA -0.167 4.473 4.640 0.000 0.000 0.207 543 D C 0.490 176.812 176.300 0.036 0.000 1.100 543 D CA 1.656 55.677 54.000 0.036 0.000 0.995 543 D CB -1.561 39.256 40.800 0.027 0.000 1.108 543 D HN 0.853 nan 8.370 nan 0.000 0.421 544 G N -0.005 108.820 108.800 0.043 0.000 2.198 544 G HA2 -0.284 3.676 3.960 0.000 0.000 0.260 544 G HA3 -0.284 3.676 3.960 0.000 0.000 0.260 544 G C 0.056 174.976 174.900 0.034 0.000 1.025 544 G CA 1.288 46.415 45.100 0.045 0.000 0.769 544 G HN 0.804 nan 8.290 nan 0.000 0.507 545 K N -1.968 118.444 120.400 0.019 0.000 2.536 545 K HA 0.834 5.154 4.320 0.000 0.000 0.269 545 K C -1.140 175.453 176.600 -0.010 0.000 0.965 545 K CA -1.094 55.204 56.287 0.017 0.000 0.860 545 K CB 2.528 35.042 32.500 0.023 0.000 1.423 545 K HN 0.854 nan 8.250 nan 0.000 0.438 546 V N 1.426 121.344 119.914 0.007 0.000 2.525 546 V HA 0.422 4.542 4.120 0.000 0.000 0.299 546 V C -1.475 174.657 176.094 0.064 0.000 1.034 546 V CA -0.581 61.703 62.300 -0.028 0.000 0.863 546 V CB 1.697 33.432 31.823 -0.146 0.000 0.999 546 V HN 0.846 nan 8.190 nan 0.000 0.423 547 D N 7.248 127.670 120.400 0.037 0.000 2.380 547 D HA 0.382 5.022 4.640 0.000 0.000 0.230 547 D C -0.174 176.173 176.300 0.078 0.000 1.154 547 D CA 0.262 54.304 54.000 0.071 0.000 0.859 547 D CB 1.411 42.232 40.800 0.035 0.000 1.045 547 D HN 0.474 nan 8.370 nan 0.000 0.495 548 I N 2.366 123.033 120.570 0.161 0.000 2.347 548 I HA 0.267 4.437 4.170 0.000 0.000 0.283 548 I C 1.363 177.587 176.117 0.178 0.000 1.058 548 I CA -0.372 61.008 61.300 0.133 0.000 1.202 548 I CB 0.889 38.961 38.000 0.119 0.000 1.386 548 I HN 0.471 nan 8.210 nan 0.000 0.475 549 G N 5.028 113.898 108.800 0.116 0.000 2.556 549 G HA2 -0.339 3.621 3.960 0.000 0.000 0.283 549 G HA3 -0.339 3.621 3.960 0.000 0.000 0.283 549 G C 0.599 175.565 174.900 0.109 0.000 1.177 549 G CA 0.384 45.557 45.100 0.121 0.000 0.978 549 G HN 0.679 nan 8.290 nan 0.000 0.554 550 T N -1.944 112.683 114.554 0.121 0.000 3.332 550 T HA 0.614 4.964 4.350 0.000 0.000 0.246 550 T C -0.233 174.271 174.700 -0.327 0.000 0.943 550 T CA 0.279 62.331 62.100 -0.079 0.000 0.922 550 T CB -0.386 68.394 68.868 -0.146 0.000 1.086 550 T HN 0.702 nan 8.240 nan 0.000 0.590 551 Y N -0.055 120.234 120.300 -0.019 0.000 2.504 551 Y HA 0.592 5.142 4.550 0.000 0.000 0.344 551 Y C 0.019 175.871 175.900 -0.079 0.000 1.023 551 Y CA -1.457 56.592 58.100 -0.084 0.000 1.020 551 Y CB 2.007 40.406 38.460 -0.103 0.000 1.282 551 Y HN 0.083 nan 8.280 nan 0.000 0.454 552 R N 2.331 122.808 120.500 -0.039 0.000 2.494 552 R HA 0.530 4.870 4.340 0.000 0.000 0.305 552 R C -2.019 174.194 176.300 -0.144 0.000 0.959 552 R CA -0.679 55.404 56.100 -0.028 0.000 0.864 552 R CB 1.022 31.300 30.300 -0.036 0.000 1.159 552 R HN 0.752 nan 8.270 nan 0.000 0.446 553 Y N 2.620 122.921 120.300 0.002 0.000 2.429 553 Y HA 0.510 5.060 4.550 0.000 0.000 0.342 553 Y C 0.242 176.127 175.900 -0.025 0.000 1.004 553 Y CA -0.617 57.473 58.100 -0.017 0.000 1.075 553 Y CB 1.928 40.360 38.460 -0.048 0.000 1.214 553 Y HN 0.347 nan 8.280 nan 0.000 0.455 554 R N 1.854 122.432 120.500 0.130 0.000 2.867 554 R HA 0.571 4.911 4.340 0.000 0.000 0.268 554 R C -1.800 174.554 176.300 0.089 0.000 1.014 554 R CA -1.437 54.713 56.100 0.085 0.000 0.946 554 R CB 2.312 32.642 30.300 0.050 0.000 1.208 554 R HN 0.515 nan 8.270 nan 0.000 0.477 555 L N 1.311 122.589 121.223 0.091 0.000 2.305 555 L HA 0.590 4.930 4.340 0.000 0.000 0.281 555 L C -0.927 176.012 176.870 0.115 0.000 1.085 555 L CA 0.214 55.126 54.840 0.120 0.000 0.813 555 L CB 1.310 43.474 42.059 0.174 0.000 1.157 555 L HN 0.818 nan 8.230 nan 0.000 0.436 556 A N 4.541 127.400 122.820 0.066 0.000 2.398 556 A HA 0.867 5.187 4.320 0.000 0.000 0.301 556 A C -0.831 176.638 177.584 -0.191 0.000 1.041 556 A CA -0.252 51.761 52.037 -0.039 0.000 0.711 556 A CB 1.319 20.289 19.000 -0.051 0.000 1.240 556 A HN 0.989 nan 8.150 nan 0.000 0.420 557 A N 2.825 125.354 122.820 -0.485 0.000 2.289 557 A HA 0.662 4.982 4.320 0.000 0.000 0.298 557 A C -0.351 176.907 177.584 -0.544 0.000 1.208 557 A CA -0.532 50.923 52.037 -0.970 0.000 0.845 557 A CB 0.142 17.971 19.000 -1.951 0.000 1.125 557 A HN 0.716 nan 8.150 nan 0.000 0.517 558 N N 1.793 120.244 118.700 -0.415 0.000 2.461 558 N HA 0.502 5.242 4.740 0.000 0.000 0.284 558 N C 0.576 175.984 175.510 -0.170 0.000 1.049 558 N CA 0.763 53.672 53.050 -0.234 0.000 0.889 558 N CB 1.952 40.343 38.487 -0.159 0.000 1.365 558 N HN 1.217 nan 8.380 nan 0.000 0.499 559 G N 3.493 112.210 108.800 -0.137 0.000 2.536 559 G HA2 -0.341 3.619 3.960 0.000 0.000 0.280 559 G HA3 -0.341 3.619 3.960 0.000 0.000 0.280 559 G C -0.292 174.559 174.900 -0.082 0.000 1.152 559 G CA -0.030 45.017 45.100 -0.089 0.000 0.970 559 G HN 0.697 nan 8.290 nan 0.000 0.549 560 N N 2.233 120.904 118.700 -0.048 0.000 2.739 560 N HA 0.492 5.232 4.740 0.000 0.000 0.266 560 N C 0.837 176.351 175.510 0.006 0.000 1.168 560 N CA 0.989 54.031 53.050 -0.012 0.000 1.055 560 N CB 0.513 39.002 38.487 0.004 0.000 1.393 560 N HN 2.082 nan 8.380 nan 0.000 0.514 561 G N 1.232 110.035 108.800 0.006 0.000 2.369 561 G HA2 -0.309 3.651 3.960 0.000 0.000 0.286 561 G HA3 -0.309 3.651 3.960 0.000 0.000 0.286 561 G C -0.607 174.370 174.900 0.128 0.000 0.938 561 G CA -0.049 45.123 45.100 0.121 0.000 1.271 561 G HN 0.683 nan 8.290 nan 0.000 0.488 562 Q N -0.791 118.965 119.800 -0.074 0.000 2.397 562 Q HA 0.351 4.691 4.340 0.000 0.000 0.260 562 Q C -0.843 175.097 176.000 -0.100 0.000 1.002 562 Q CA -0.720 55.081 55.803 -0.003 0.000 0.716 562 Q CB 1.129 29.848 28.738 -0.031 0.000 1.258 562 Q HN 0.472 nan 8.270 nan 0.000 0.477 563 W N 1.998 123.214 121.300 -0.140 0.000 2.416 563 W HA 0.338 4.998 4.660 0.000 0.000 0.318 563 W C 0.125 176.555 176.519 -0.150 0.000 1.150 563 W CA -0.134 57.126 57.345 -0.141 0.000 1.392 563 W CB 0.833 30.159 29.460 -0.223 0.000 1.311 563 W HN 0.295 nan 8.180 nan 0.000 0.436 564 S N 2.492 118.208 115.700 0.027 0.000 2.718 564 S HA 0.633 5.103 4.470 0.000 0.000 0.300 564 S C -1.102 173.509 174.600 0.018 0.000 1.117 564 S CA -0.838 57.358 58.200 -0.007 0.000 1.002 564 S CB 1.520 64.701 63.200 -0.032 0.000 1.092 564 S HN 0.326 nan 8.310 nan 0.000 0.542 565 L N 2.687 123.914 121.223 0.008 0.000 2.301 565 L HA 0.409 4.749 4.340 0.000 0.000 0.278 565 L C 0.342 177.312 176.870 0.167 0.000 1.022 565 L CA -0.101 54.773 54.840 0.058 0.000 0.854 565 L CB 0.556 42.592 42.059 -0.039 0.000 1.226 565 L HN 0.587 nan 8.230 nan 0.000 0.429 566 V N 3.559 123.554 119.914 0.136 0.000 2.300 566 V HA 0.428 4.548 4.120 0.000 0.000 0.233 566 V C 1.211 177.316 176.094 0.018 0.000 1.052 566 V CA 0.652 62.999 62.300 0.079 0.000 1.026 566 V CB -1.396 30.434 31.823 0.011 0.000 0.661 566 V HN 0.981 nan 8.190 nan 0.000 0.470 567 G N -0.413 108.332 108.800 -0.093 0.000 2.870 567 G HA2 0.340 4.300 3.960 0.000 0.000 0.685 567 G HA3 0.340 4.300 3.960 0.000 0.000 0.685 567 G C -0.449 174.268 174.900 -0.305 0.000 1.556 567 G CA -0.024 44.859 45.100 -0.363 0.000 1.042 567 G HN 1.555 nan 8.290 nan 0.000 0.592 568 A N 1.012 123.708 122.820 -0.207 0.000 2.534 568 A HA 0.902 5.222 4.320 0.000 0.000 0.300 568 A C 0.123 177.690 177.584 -0.028 0.000 1.223 568 A CA 0.195 52.205 52.037 -0.045 0.000 0.666 568 A CB 0.704 19.679 19.000 -0.042 0.000 1.316 568 A HN 1.515 nan 8.150 nan 0.000 0.468 569 K N 0.708 121.051 120.400 -0.094 0.000 2.491 569 K HA 0.359 4.679 4.320 0.000 0.000 0.279 569 K C 0.340 176.787 176.600 -0.254 0.000 1.026 569 K CA 0.918 56.979 56.287 -0.378 0.000 1.070 569 K CB 0.242 32.560 32.500 -0.304 0.000 0.887 569 K HN 1.003 nan 8.250 nan 0.000 0.481 570 A N 6.543 129.191 122.820 -0.286 0.000 2.488 570 A HA 0.223 4.543 4.320 0.000 0.000 0.249 570 A C -2.019 175.490 177.584 -0.126 0.000 1.083 570 A CA -1.222 50.719 52.037 -0.158 0.000 0.768 570 A CB -0.393 18.531 19.000 -0.126 0.000 1.017 570 A HN 0.609 nan 8.150 nan 0.000 0.496 571 P HA 0.083 nan 4.420 nan 0.000 0.261 571 P C -1.780 175.482 177.300 -0.064 0.000 1.165 571 P CA -0.160 62.900 63.100 -0.066 0.000 0.759 571 P CB -0.375 31.297 31.700 -0.046 0.000 0.772 572 P HA 0.000 nan 4.420 nan 0.000 0.216 572 P CA 0.000 63.068 63.100 -0.054 0.000 0.800 572 P CB 0.000 31.673 31.700 -0.045 0.000 0.726