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 1xv8_1_B DATA FIRST_RESID 2 DATA SEQUENCE YSSNTQQGRT SIVHLFEWRW VDIALEcERY LAPKGFGGVQ VSPPNENVAI DATA SEQUENCE HNPFRPWWER YQPVSYKLcT RSGNEDEFRN MVTRcNNVGV RIYVDAVINH DATA SEQUENCE MCGNAVSAGT SSTcGSYFNP GSRDFPAVPY SGWDFNDGKc KTGSGDIENY DATA SEQUENCE NDATQVRDcR LSGLLDLALG KDYVRSKIAE YMNHLIDIGV AGFRIDASKH DATA SEQUENCE MWPGDIKAIL DKLHNLNSNW FPEGSKPFIY QEVIDLGGEP IKSSDYFGNG DATA SEQUENCE RVTEFKYGAK LGTVIRKWNG EKMSYLKNWG EGWGFMPSDR ALVFVDNHDN DATA SEQUENCE QRGHGAGGAS ILTFWDARLY KMAVGFMLAH PYGFTRVMSS YRWPRYFENG DATA SEQUENCE KDVNDWVGPP NDNGVTKEVT INPDTTcGND WVcEHRWRQI RNMVNFRNVV DATA SEQUENCE DGQPFTNWYD NGSNQVAFGR GNRGFIVFNN DDWTFSLTLQ TGLPAGTYcD DATA SEQUENCE VISGDKINGN cTGIKIYVSD DGKAHFSISN SAEDPFIAIH AESKL 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 2 Y HA 0.000 nan 4.550 nan 0.000 0.201 2 Y C 0.000 175.978 175.900 0.130 0.000 1.272 2 Y CA 0.000 58.213 58.100 0.188 0.000 1.940 2 Y CB 0.000 38.511 38.460 0.084 0.000 1.050 3 S N 1.674 117.466 115.700 0.154 0.000 2.528 3 S HA 0.212 4.681 4.470 -0.000 0.000 0.277 3 S C 1.291 175.676 174.600 -0.357 0.000 1.297 3 S CA 0.323 58.492 58.200 -0.051 0.000 1.052 3 S CB 1.268 64.479 63.200 0.019 0.000 0.917 3 S HN 0.437 nan 8.310 nan 0.000 0.492 4 S N 2.887 118.150 115.700 -0.729 0.000 2.447 4 S HA -0.117 4.353 4.470 -0.000 0.000 0.233 4 S C 0.830 175.268 174.600 -0.271 0.000 1.006 4 S CA 0.660 58.133 58.200 -1.212 0.000 0.957 4 S CB -0.392 62.290 63.200 -0.862 0.000 0.773 4 S HN 0.785 nan 8.310 nan 0.000 0.507 5 N N 1.252 119.919 118.700 -0.056 0.000 2.909 5 N HA -0.153 4.587 4.740 -0.000 0.000 0.242 5 N C 0.381 176.034 175.510 0.239 0.000 0.975 5 N CA 1.414 54.564 53.050 0.168 0.000 0.921 5 N CB -2.533 36.084 38.487 0.217 0.000 1.112 5 N HN 0.890 nan 8.380 nan 0.000 0.581 6 T N -1.565 113.082 114.554 0.155 0.000 2.589 6 T HA 0.100 4.450 4.350 -0.000 0.000 0.342 6 T C 0.427 175.187 174.700 0.100 0.000 1.044 6 T CA 0.118 62.317 62.100 0.164 0.000 1.020 6 T CB 1.208 70.168 68.868 0.155 0.000 1.070 6 T HN 0.270 nan 8.240 nan 0.000 0.524 7 Q N 0.238 120.074 119.800 0.061 0.000 2.290 7 Q HA 0.204 4.544 4.340 -0.000 0.000 0.269 7 Q C -1.325 174.681 176.000 0.010 0.000 1.016 7 Q CA -0.665 55.151 55.803 0.022 0.000 0.754 7 Q CB 0.712 29.444 28.738 -0.010 0.000 1.247 7 Q HN 0.669 nan 8.270 nan 0.000 0.451 8 Q N 1.976 121.778 119.800 0.003 0.000 2.401 8 Q HA -0.241 4.099 4.340 -0.000 0.000 0.355 8 Q C 0.559 176.547 176.000 -0.019 0.000 1.355 8 Q CA 1.423 57.221 55.803 -0.009 0.000 0.971 8 Q CB -1.684 27.046 28.738 -0.012 0.000 1.102 8 Q HN 1.222 nan 8.270 nan 0.000 0.309 9 G N 1.692 110.477 108.800 -0.025 0.000 2.396 9 G HA2 -0.400 3.560 3.960 -0.000 0.000 0.242 9 G HA3 -0.400 3.560 3.960 -0.000 0.000 0.242 9 G C 0.205 175.069 174.900 -0.060 0.000 1.069 9 G CA 0.365 45.437 45.100 -0.047 0.000 0.633 9 G HN 0.506 nan 8.290 nan 0.000 0.517 10 R N 1.705 122.177 120.500 -0.046 0.000 2.638 10 R HA 0.202 4.542 4.340 -0.000 0.000 0.351 10 R C 1.594 177.853 176.300 -0.068 0.000 0.871 10 R CA 1.092 57.161 56.100 -0.052 0.000 1.091 10 R CB -0.142 30.157 30.300 -0.003 0.000 0.900 10 R HN 0.632 nan 8.270 nan 0.000 0.405 11 T N -2.241 112.220 114.554 -0.155 0.000 3.022 11 T HA 0.046 4.396 4.350 -0.000 0.000 0.250 11 T C 0.764 175.150 174.700 -0.523 0.000 1.060 11 T CA -0.175 61.752 62.100 -0.289 0.000 1.013 11 T CB 0.560 69.275 68.868 -0.255 0.000 0.982 11 T HN 0.316 nan 8.240 nan 0.000 0.508 12 S N 0.902 116.409 115.700 -0.320 0.000 2.549 12 S HA 0.739 5.208 4.470 -0.000 0.000 0.280 12 S C -1.037 173.575 174.600 0.020 0.000 1.109 12 S CA -1.110 56.915 58.200 -0.292 0.000 0.905 12 S CB 1.275 64.325 63.200 -0.249 0.000 1.081 12 S HN 0.562 nan 8.310 nan 0.000 0.477 13 I N 1.783 122.449 120.570 0.160 0.000 2.509 13 I HA 0.825 4.995 4.170 -0.000 0.000 0.293 13 I C -0.817 175.450 176.117 0.250 0.000 1.020 13 I CA -0.898 60.573 61.300 0.284 0.000 1.088 13 I CB 1.728 39.919 38.000 0.318 0.000 1.267 13 I HN 0.434 nan 8.210 nan 0.000 0.430 14 V N 6.173 126.244 119.914 0.263 0.000 2.612 14 V HA 0.351 4.471 4.120 -0.000 0.000 0.301 14 V C -0.634 175.534 176.094 0.123 0.000 1.046 14 V CA -0.300 62.098 62.300 0.163 0.000 0.946 14 V CB 1.490 33.303 31.823 -0.017 0.000 1.003 14 V HN 0.922 nan 8.190 nan 0.000 0.459 15 H N 6.878 125.948 119.070 0.001 0.000 2.685 15 H HA 0.361 4.917 4.556 -0.000 0.000 0.286 15 H C -0.576 174.709 175.328 -0.072 0.000 1.102 15 H CA -0.827 55.236 56.048 0.025 0.000 1.254 15 H CB 0.935 30.751 29.762 0.090 0.000 1.397 15 H HN 0.614 nan 8.280 nan 0.000 0.473 16 L N 7.228 128.255 121.223 -0.328 0.000 2.391 16 L HA 0.039 4.379 4.340 -0.000 0.000 0.249 16 L C 0.113 176.749 176.870 -0.391 0.000 1.308 16 L CA -0.495 53.835 54.840 -0.849 0.000 1.209 16 L CB -0.812 40.453 42.059 -1.324 0.000 1.401 16 L HN 0.524 nan 8.230 nan 0.000 0.416 17 F N 3.984 123.600 119.950 -0.557 0.000 2.580 17 F HA -0.108 4.419 4.527 -0.000 0.000 0.398 17 F C 1.488 177.557 175.800 0.448 0.000 1.023 17 F CA 0.483 58.341 58.000 -0.237 0.000 1.188 17 F CB -0.078 38.825 39.000 -0.161 0.000 1.005 17 F HN 0.512 nan 8.300 nan 0.000 0.546 18 E N 2.470 122.708 120.200 0.063 0.000 3.547 18 E HA -0.313 4.037 4.350 -0.000 0.000 0.300 18 E C -0.218 176.517 176.600 0.224 0.000 0.857 18 E CA 1.105 57.502 56.400 -0.005 0.000 1.039 18 E CB -1.403 28.095 29.700 -0.337 0.000 1.524 18 E HN 0.642 nan 8.360 nan 0.000 0.457 19 W N 1.356 122.610 121.300 -0.077 0.000 2.089 19 W HA 0.154 4.813 4.660 -0.000 0.000 0.355 19 W C 1.601 177.953 176.519 -0.278 0.000 1.305 19 W CA 0.159 57.333 57.345 -0.285 0.000 1.281 19 W CB 0.211 29.492 29.460 -0.298 0.000 1.183 19 W HN -0.115 nan 8.180 nan 0.000 0.604 20 R N 1.062 121.492 120.500 -0.117 0.000 2.486 20 R HA 0.146 4.486 4.340 -0.000 0.000 0.286 20 R C 1.059 177.385 176.300 0.043 0.000 0.999 20 R CA -0.634 55.305 56.100 -0.269 0.000 0.993 20 R CB 0.722 30.887 30.300 -0.224 0.000 1.084 20 R HN 0.693 nan 8.270 nan 0.000 0.487 21 W N 0.658 122.012 121.300 0.089 0.000 2.317 21 W HA -0.275 4.385 4.660 -0.000 0.000 0.318 21 W C 1.980 178.513 176.519 0.024 0.000 1.227 21 W CA 0.105 57.489 57.345 0.067 0.000 1.269 21 W CB -0.483 29.032 29.460 0.093 0.000 1.155 21 W HN 0.401 nan 8.180 nan 0.000 0.484 22 V N 1.203 121.258 119.914 0.235 0.000 2.380 22 V HA -0.313 3.807 4.120 -0.000 0.000 0.251 22 V C 1.758 177.902 176.094 0.084 0.000 1.063 22 V CA 2.314 64.686 62.300 0.120 0.000 1.055 22 V CB -0.571 31.288 31.823 0.059 0.000 0.657 22 V HN 0.168 nan 8.190 nan 0.000 0.455 23 D N -0.692 119.751 120.400 0.070 0.000 2.194 23 D HA -0.009 4.631 4.640 -0.000 0.000 0.204 23 D C 1.997 178.421 176.300 0.206 0.000 0.964 23 D CA 1.278 55.306 54.000 0.046 0.000 0.846 23 D CB 0.105 40.814 40.800 -0.151 0.000 0.962 23 D HN 0.478 nan 8.370 nan 0.000 0.490 24 I N 1.193 121.921 120.570 0.264 0.000 2.500 24 I HA -0.134 4.036 4.170 -0.000 0.000 0.252 24 I C 2.552 178.723 176.117 0.090 0.000 1.142 24 I CA 0.279 61.703 61.300 0.206 0.000 1.451 24 I CB -0.133 37.983 38.000 0.193 0.000 1.093 24 I HN -0.127 nan 8.210 nan 0.000 0.430 25 A N 1.858 124.726 122.820 0.079 0.000 1.849 25 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 25 A C 2.283 179.887 177.584 0.033 0.000 1.202 25 A CA 1.629 53.678 52.037 0.020 0.000 0.629 25 A CB -1.057 17.957 19.000 0.024 0.000 0.834 25 A HN 0.318 nan 8.150 nan 0.000 0.447 26 L N -1.143 120.113 121.223 0.054 0.000 1.963 26 L HA -0.288 4.051 4.340 -0.000 0.000 0.220 26 L C 2.709 179.629 176.870 0.083 0.000 1.076 26 L CA 2.057 56.931 54.840 0.057 0.000 0.772 26 L CB -0.784 41.304 42.059 0.049 0.000 0.892 26 L HN 0.485 nan 8.230 nan 0.000 0.435 27 E N -0.246 120.030 120.200 0.127 0.000 2.136 27 E HA -0.268 4.082 4.350 -0.000 0.000 0.202 27 E C 2.191 178.859 176.600 0.113 0.000 1.019 27 E CA 2.030 58.531 56.400 0.167 0.000 0.819 27 E CB -0.496 29.344 29.700 0.234 0.000 0.739 27 E HN 0.488 nan 8.360 nan 0.000 0.458 28 c N 0.465 119.092 118.600 0.046 0.000 2.418 28 c HA -0.162 4.408 4.570 -0.000 0.000 0.280 28 c C 2.381 176.492 174.090 0.036 0.000 1.223 28 c CA 1.361 57.696 56.329 0.010 0.000 1.736 28 c CB -1.135 41.355 42.510 -0.033 0.000 2.056 28 c HN 0.585 nan 8.230 nan 0.000 0.459 29 E N 0.751 120.972 120.200 0.034 0.000 2.058 29 E HA -0.247 4.103 4.350 -0.000 0.000 0.194 29 E C 2.160 178.799 176.600 0.066 0.000 0.997 29 E CA 1.431 57.854 56.400 0.038 0.000 0.801 29 E CB -0.460 29.257 29.700 0.029 0.000 0.746 29 E HN 0.746 nan 8.360 nan 0.000 0.450 30 R N -0.959 119.598 120.500 0.096 0.000 2.240 30 R HA -0.024 4.316 4.340 -0.000 0.000 0.203 30 R C 1.212 177.642 176.300 0.217 0.000 1.011 30 R CA 1.011 57.187 56.100 0.127 0.000 1.007 30 R CB 0.024 30.392 30.300 0.113 0.000 0.911 30 R HN 0.245 nan 8.270 nan 0.000 0.468 31 Y N -0.056 120.272 120.300 0.045 0.000 3.324 31 Y HA 0.228 4.778 4.550 -0.000 0.000 0.187 31 Y C 1.709 177.651 175.900 0.070 0.000 0.920 31 Y CA -0.331 57.804 58.100 0.059 0.000 1.710 31 Y CB -0.060 38.429 38.460 0.049 0.000 1.461 31 Y HN -0.157 nan 8.280 nan 0.000 0.360 32 L N 0.955 122.196 121.223 0.030 0.000 2.011 32 L HA -0.367 3.973 4.340 -0.000 0.000 0.225 32 L C 2.588 179.493 176.870 0.057 0.000 1.084 32 L CA 2.136 56.936 54.840 -0.067 0.000 0.791 32 L CB -1.105 40.918 42.059 -0.060 0.000 0.898 32 L HN 0.464 nan 8.230 nan 0.000 0.440 33 A N 0.147 122.988 122.820 0.034 0.000 1.845 33 A HA -0.113 4.206 4.320 -0.000 0.000 0.215 33 A C 0.139 177.734 177.584 0.018 0.000 1.195 33 A CA 1.891 53.947 52.037 0.032 0.000 0.616 33 A CB -1.957 17.053 19.000 0.017 0.000 0.832 33 A HN 0.383 nan 8.150 nan 0.000 0.443 34 P HA -0.117 nan 4.420 nan 0.000 0.222 34 P C 0.440 177.721 177.300 -0.032 0.000 1.147 34 P CA 1.018 64.115 63.100 -0.005 0.000 0.790 34 P CB -0.032 31.676 31.700 0.014 0.000 0.780 35 K N -0.376 119.977 120.400 -0.080 0.000 2.500 35 K HA 0.227 4.547 4.320 -0.000 0.000 0.206 35 K C 1.157 177.758 176.600 0.003 0.000 1.034 35 K CA 0.259 56.496 56.287 -0.083 0.000 1.179 35 K CB -0.654 31.633 32.500 -0.356 0.000 0.884 35 K HN 0.186 nan 8.250 nan 0.000 0.493 36 G N 1.556 110.359 108.800 0.005 0.000 2.187 36 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.261 36 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.261 36 G C 0.002 174.860 174.900 -0.069 0.000 1.000 36 G CA -0.029 45.045 45.100 -0.043 0.000 0.718 36 G HN 0.252 nan 8.290 nan 0.000 0.519 37 F N 0.341 120.258 119.950 -0.056 0.000 2.471 37 F HA 0.473 5.000 4.527 -0.000 0.000 0.353 37 F C 1.850 177.656 175.800 0.010 0.000 1.113 37 F CA 0.936 58.926 58.000 -0.017 0.000 1.262 37 F CB 1.100 40.094 39.000 -0.011 0.000 1.146 37 F HN -0.003 nan 8.300 nan 0.000 0.578 38 G N 1.456 110.363 108.800 0.179 0.000 2.404 38 G HA2 0.383 4.342 3.960 -0.000 0.000 0.213 38 G HA3 0.383 4.342 3.960 -0.000 0.000 0.213 38 G C 0.498 175.551 174.900 0.255 0.000 1.189 38 G CA 0.712 45.924 45.100 0.187 0.000 0.796 38 G HN 0.984 nan 8.290 nan 0.000 0.532 39 G N -2.022 106.982 108.800 0.340 0.000 2.663 39 G HA2 0.481 4.441 3.960 -0.000 0.000 0.299 39 G HA3 0.481 4.441 3.960 -0.000 0.000 0.299 39 G C -2.135 172.944 174.900 0.299 0.000 1.372 39 G CA -0.283 45.027 45.100 0.350 0.000 0.781 39 G HN 0.457 nan 8.290 nan 0.000 0.491 40 V N 0.420 120.472 119.914 0.230 0.000 2.531 40 V HA 0.476 4.595 4.120 -0.000 0.000 0.301 40 V C -0.130 176.128 176.094 0.273 0.000 1.034 40 V CA -0.641 61.753 62.300 0.157 0.000 0.865 40 V CB 1.570 33.385 31.823 -0.013 0.000 0.995 40 V HN 0.784 nan 8.190 nan 0.000 0.424 41 Q N 3.785 123.774 119.800 0.316 0.000 2.361 41 Q HA 0.468 4.808 4.340 -0.000 0.000 0.250 41 Q C -0.335 175.906 176.000 0.401 0.000 1.023 41 Q CA -0.427 55.591 55.803 0.359 0.000 0.915 41 Q CB 1.388 30.288 28.738 0.270 0.000 1.238 41 Q HN 0.815 nan 8.270 nan 0.000 0.451 42 V N 1.285 121.394 119.914 0.325 0.000 3.083 42 V HA 0.469 4.589 4.120 -0.000 0.000 0.306 42 V C 0.281 176.650 176.094 0.459 0.000 1.077 42 V CA -0.786 61.759 62.300 0.408 0.000 1.073 42 V CB 1.573 33.589 31.823 0.321 0.000 1.081 42 V HN 0.651 nan 8.190 nan 0.000 0.474 43 S N 2.264 118.291 115.700 0.545 0.000 2.617 43 S HA 0.422 4.892 4.470 -0.000 0.000 0.269 43 S C -2.421 172.378 174.600 0.331 0.000 1.292 43 S CA -0.765 57.684 58.200 0.414 0.000 1.010 43 S CB 0.728 64.121 63.200 0.322 0.000 0.944 43 S HN 0.834 nan 8.310 nan 0.000 0.536 44 P HA -0.036 nan 4.420 nan 0.000 0.245 44 P C -1.913 175.472 177.300 0.141 0.000 1.123 44 P CA -0.398 62.738 63.100 0.059 0.000 0.853 44 P CB -0.040 31.547 31.700 -0.189 0.000 0.786 45 P HA -0.093 nan 4.420 nan 0.000 0.242 45 P C -0.238 177.082 177.300 0.034 0.000 1.197 45 P CA 0.633 63.833 63.100 0.166 0.000 0.765 45 P CB 0.175 31.701 31.700 -0.289 0.000 0.936 46 N N 0.447 119.154 118.700 0.012 0.000 2.508 46 N HA 0.086 4.826 4.740 -0.000 0.000 0.285 46 N C -0.206 175.237 175.510 -0.111 0.000 1.144 46 N CA -0.581 52.414 53.050 -0.092 0.000 0.978 46 N CB 1.453 39.807 38.487 -0.222 0.000 1.180 46 N HN -0.014 nan 8.380 nan 0.000 0.484 47 E N 0.741 120.860 120.200 -0.134 0.000 2.465 47 E HA -0.073 4.277 4.350 -0.000 0.000 0.260 47 E C -0.422 176.063 176.600 -0.191 0.000 0.980 47 E CA -0.156 56.163 56.400 -0.135 0.000 0.927 47 E CB 0.339 29.965 29.700 -0.122 0.000 0.934 47 E HN 0.711 nan 8.360 nan 0.000 0.459 48 N N 2.309 120.904 118.700 -0.176 0.000 2.966 48 N HA 0.261 5.001 4.740 -0.000 0.000 0.314 48 N C -0.668 174.708 175.510 -0.224 0.000 1.397 48 N CA -0.685 52.245 53.050 -0.199 0.000 0.776 48 N CB 0.596 38.991 38.487 -0.152 0.000 1.576 48 N HN 0.213 nan 8.380 nan 0.000 0.592 49 V N -0.284 119.505 119.914 -0.209 0.000 3.051 49 V HA 0.469 4.589 4.120 -0.000 0.000 0.306 49 V C 0.542 176.566 176.094 -0.117 0.000 1.083 49 V CA -0.549 61.654 62.300 -0.162 0.000 1.104 49 V CB 0.859 32.652 31.823 -0.051 0.000 1.027 49 V HN 0.891 nan 8.190 nan 0.000 0.483 50 A N 4.500 127.285 122.820 -0.059 0.000 2.277 50 A HA 0.643 4.963 4.320 -0.000 0.000 0.318 50 A C -0.572 176.889 177.584 -0.205 0.000 1.339 50 A CA -0.460 51.475 52.037 -0.170 0.000 0.875 50 A CB -0.065 18.890 19.000 -0.076 0.000 1.158 50 A HN 0.536 nan 8.150 nan 0.000 0.514 51 I N 3.135 123.503 120.570 -0.337 0.000 2.312 51 I HA 0.192 4.362 4.170 -0.000 0.000 0.291 51 I C 0.427 176.274 176.117 -0.451 0.000 1.031 51 I CA 0.029 61.159 61.300 -0.284 0.000 1.293 51 I CB 0.237 38.030 38.000 -0.346 0.000 1.403 51 I HN 0.686 nan 8.210 nan 0.000 0.484 52 H N 3.464 122.446 119.070 -0.147 0.000 2.551 52 H HA 0.214 4.770 4.556 -0.000 0.000 0.271 52 H C 0.303 175.608 175.328 -0.038 0.000 0.984 52 H CA 0.150 56.141 56.048 -0.095 0.000 1.164 52 H CB 0.314 30.072 29.762 -0.007 0.000 1.437 52 H HN 0.416 nan 8.280 nan 0.000 0.550 53 N N 1.485 120.171 118.700 -0.024 0.000 2.594 53 N HA 0.106 4.846 4.740 -0.000 0.000 0.280 53 N C -2.858 172.555 175.510 -0.160 0.000 1.156 53 N CA -1.350 51.653 53.050 -0.078 0.000 0.831 53 N CB 1.698 40.176 38.487 -0.014 0.000 1.379 53 N HN 0.015 nan 8.380 nan 0.000 0.536 54 P HA 0.167 nan 4.420 nan 0.000 0.275 54 P C -0.258 176.856 177.300 -0.309 0.000 1.270 54 P CA -0.393 62.335 63.100 -0.619 0.000 0.791 54 P CB 0.773 31.400 31.700 -1.789 0.000 1.089 55 F N 1.700 121.503 119.950 -0.245 0.000 2.533 55 F HA 0.109 4.636 4.527 -0.000 0.000 0.378 55 F C 0.845 176.654 175.800 0.014 0.000 1.070 55 F CA -0.078 57.900 58.000 -0.038 0.000 1.172 55 F CB -0.058 38.994 39.000 0.086 0.000 1.085 55 F HN 0.193 nan 8.300 nan 0.000 0.552 56 R N 3.855 123.915 120.500 -0.732 0.000 2.711 56 R HA -0.170 4.170 4.340 -0.000 0.000 0.253 56 R C -2.531 173.604 176.300 -0.275 0.000 0.879 56 R CA -0.070 55.662 56.100 -0.614 0.000 0.686 56 R CB -2.027 27.808 30.300 -0.775 0.000 1.618 56 R HN 0.393 nan 8.270 nan 0.000 0.525 57 P HA -0.067 nan 4.420 nan 0.000 0.270 57 P C 1.281 178.427 177.300 -0.256 0.000 1.227 57 P CA -0.047 62.771 63.100 -0.471 0.000 0.788 57 P CB 0.145 30.906 31.700 -1.566 0.000 0.926 58 W N 1.890 123.119 121.300 -0.118 0.000 2.800 58 W HA 0.023 4.683 4.660 -0.000 0.000 0.249 58 W C 0.387 177.109 176.519 0.339 0.000 1.294 58 W CA 0.441 57.892 57.345 0.176 0.000 1.402 58 W CB -1.000 28.740 29.460 0.466 0.000 1.126 58 W HN 0.460 nan 8.180 nan 0.000 0.652 59 W N 2.735 123.838 121.300 -0.329 0.000 3.132 59 W HA 0.254 4.914 4.660 -0.000 0.000 0.364 59 W C 1.254 177.757 176.519 -0.026 0.000 1.129 59 W CA 0.325 57.522 57.345 -0.248 0.000 1.815 59 W CB -1.453 27.598 29.460 -0.681 0.000 1.099 59 W HN 0.137 nan 8.180 nan 0.000 0.605 60 E N 1.621 121.715 120.200 -0.176 0.000 2.418 60 E HA -0.083 4.267 4.350 -0.000 0.000 0.197 60 E C 1.624 178.202 176.600 -0.037 0.000 1.026 60 E CA 0.487 56.823 56.400 -0.106 0.000 0.862 60 E CB -0.332 29.209 29.700 -0.264 0.000 0.799 60 E HN 0.206 nan 8.360 nan 0.000 0.518 61 R N -0.268 120.199 120.500 -0.054 0.000 2.307 61 R HA 0.007 4.347 4.340 -0.000 0.000 0.199 61 R C 0.319 176.450 176.300 -0.283 0.000 1.000 61 R CA 0.585 56.574 56.100 -0.185 0.000 1.023 61 R CB 0.015 30.174 30.300 -0.235 0.000 0.908 61 R HN 0.289 nan 8.270 nan 0.000 0.473 62 Y N 0.532 120.927 120.300 0.160 0.000 2.658 62 Y HA 0.234 4.784 4.550 -0.000 0.000 0.276 62 Y C -0.013 176.042 175.900 0.259 0.000 1.167 62 Y CA -0.142 58.087 58.100 0.215 0.000 1.230 62 Y CB 0.573 39.196 38.460 0.272 0.000 1.144 62 Y HN -0.094 nan 8.280 nan 0.000 0.529 63 Q N 0.756 120.681 119.800 0.208 0.000 3.244 63 Q HA 0.276 4.616 4.340 -0.000 0.000 0.249 63 Q C -2.743 173.258 176.000 0.002 0.000 0.951 63 Q CA -2.100 53.806 55.803 0.173 0.000 0.740 63 Q CB 1.435 30.280 28.738 0.179 0.000 1.334 63 Q HN 0.023 nan 8.270 nan 0.000 0.448 64 P HA -0.114 nan 4.420 nan 0.000 0.267 64 P C 0.125 177.276 177.300 -0.248 0.000 1.195 64 P CA 0.363 63.334 63.100 -0.215 0.000 0.773 64 P CB 1.033 32.555 31.700 -0.295 0.000 0.837 65 V N -0.186 119.540 119.914 -0.313 0.000 3.408 65 V HA 0.143 4.263 4.120 -0.000 0.000 0.263 65 V C 0.554 176.544 176.094 -0.173 0.000 1.503 65 V CA 1.039 63.171 62.300 -0.281 0.000 1.046 65 V CB 0.563 32.050 31.823 -0.560 0.000 0.851 65 V HN 0.825 nan 8.190 nan 0.000 0.435 66 S N -1.789 113.694 115.700 -0.361 0.000 2.663 66 S HA 0.434 4.903 4.470 -0.000 0.000 0.264 66 S C -1.150 173.084 174.600 -0.610 0.000 1.112 66 S CA -0.389 57.556 58.200 -0.425 0.000 0.823 66 S CB 0.710 63.800 63.200 -0.182 0.000 1.111 66 S HN -0.049 nan 8.310 nan 0.000 0.476 67 Y N 0.948 121.080 120.300 -0.280 0.000 2.658 67 Y HA 0.452 5.002 4.550 -0.000 0.000 0.276 67 Y C 0.602 176.369 175.900 -0.223 0.000 1.167 67 Y CA -0.659 57.179 58.100 -0.438 0.000 1.230 67 Y CB 0.056 38.204 38.460 -0.519 0.000 1.144 67 Y HN 0.387 nan 8.280 nan 0.000 0.529 68 K N 1.320 121.699 120.400 -0.036 0.000 2.383 68 K HA 0.194 4.514 4.320 -0.000 0.000 0.286 68 K C -0.144 176.460 176.600 0.007 0.000 1.051 68 K CA -0.131 56.172 56.287 0.026 0.000 0.974 68 K CB 0.646 33.154 32.500 0.015 0.000 0.968 68 K HN 0.237 nan 8.250 nan 0.000 0.475 69 L N 4.165 125.408 121.223 0.034 0.000 2.449 69 L HA 0.014 4.354 4.340 -0.000 0.000 0.266 69 L C 0.046 176.946 176.870 0.050 0.000 1.321 69 L CA -0.276 54.533 54.840 -0.052 0.000 1.194 69 L CB -0.399 41.545 42.059 -0.193 0.000 1.384 69 L HN 0.636 nan 8.230 nan 0.000 0.438 70 c N 1.995 120.625 118.600 0.049 0.000 3.296 70 c HA 0.473 5.043 4.570 -0.000 0.000 0.317 70 c C 0.601 174.704 174.090 0.021 0.000 1.040 70 c CA -0.256 56.113 56.329 0.067 0.000 1.352 70 c CB -0.040 42.497 42.510 0.046 0.000 1.797 70 c HN 0.802 nan 8.230 nan 0.000 0.552 71 T N 0.995 115.566 114.554 0.028 0.000 2.768 71 T HA 0.490 4.840 4.350 -0.000 0.000 0.268 71 T C 1.142 175.761 174.700 -0.134 0.000 0.969 71 T CA -0.560 61.504 62.100 -0.059 0.000 1.008 71 T CB 0.841 69.680 68.868 -0.047 0.000 1.371 71 T HN 0.516 nan 8.240 nan 0.000 0.587 72 R N 0.033 120.424 120.500 -0.182 0.000 2.316 72 R HA 0.068 4.408 4.340 -0.000 0.000 0.202 72 R C 1.945 178.061 176.300 -0.307 0.000 1.029 72 R CA 0.619 56.598 56.100 -0.202 0.000 1.018 72 R CB -0.328 29.860 30.300 -0.188 0.000 0.888 72 R HN 0.553 nan 8.270 nan 0.000 0.471 73 S N -0.563 114.822 115.700 -0.525 0.000 2.501 73 S HA 0.179 4.649 4.470 -0.000 0.000 0.220 73 S C 0.736 174.761 174.600 -0.958 0.000 0.997 73 S CA 0.517 58.144 58.200 -0.954 0.000 0.919 73 S CB 0.986 62.988 63.200 -1.997 0.000 0.778 73 S HN 0.612 nan 8.310 nan 0.000 0.523 74 G N 1.680 110.171 108.800 -0.515 0.000 2.369 74 G HA2 0.152 4.112 3.960 -0.000 0.000 0.295 74 G HA3 0.152 4.112 3.960 -0.000 0.000 0.295 74 G C -1.506 173.502 174.900 0.180 0.000 1.298 74 G CA -0.765 44.270 45.100 -0.108 0.000 0.940 74 G HN 0.343 nan 8.290 nan 0.000 0.536 75 N N -0.710 118.140 118.700 0.250 0.000 2.491 75 N HA 0.473 5.213 4.740 -0.000 0.000 0.279 75 N C 1.031 176.736 175.510 0.325 0.000 1.236 75 N CA 0.091 53.282 53.050 0.235 0.000 0.982 75 N CB 1.295 39.872 38.487 0.150 0.000 1.194 75 N HN 0.778 nan 8.380 nan 0.000 0.582 76 E N -0.516 119.824 120.200 0.235 0.000 2.097 76 E HA -0.302 4.048 4.350 -0.000 0.000 0.196 76 E C 0.385 177.134 176.600 0.248 0.000 1.000 76 E CA 1.714 58.259 56.400 0.242 0.000 0.804 76 E CB -0.173 29.648 29.700 0.202 0.000 0.740 76 E HN 0.651 nan 8.360 nan 0.000 0.454 77 D N 0.248 120.765 120.400 0.194 0.000 2.103 77 D HA -0.198 4.442 4.640 -0.000 0.000 0.190 77 D C 1.805 178.203 176.300 0.162 0.000 0.997 77 D CA 1.747 55.839 54.000 0.153 0.000 0.833 77 D CB -0.074 40.800 40.800 0.124 0.000 0.961 77 D HN 0.306 nan 8.370 nan 0.000 0.447 78 E N -0.775 119.559 120.200 0.224 0.000 2.110 78 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 78 E C 1.908 178.667 176.600 0.264 0.000 0.988 78 E CA 0.450 57.009 56.400 0.264 0.000 0.804 78 E CB -0.185 29.718 29.700 0.337 0.000 0.745 78 E HN 0.283 nan 8.360 nan 0.000 0.458 79 F N 1.946 121.958 119.950 0.104 0.000 2.075 79 F HA -0.165 4.362 4.527 -0.000 0.000 0.297 79 F C 2.292 177.928 175.800 -0.274 0.000 1.113 79 F CA 1.598 59.371 58.000 -0.378 0.000 1.218 79 F CB -0.076 38.671 39.000 -0.421 0.000 0.984 79 F HN -0.218 nan 8.300 nan 0.000 0.472 80 R N 0.267 120.696 120.500 -0.119 0.000 2.094 80 R HA -0.262 4.078 4.340 -0.000 0.000 0.239 80 R C 2.330 178.499 176.300 -0.219 0.000 1.137 80 R CA 1.672 57.668 56.100 -0.173 0.000 0.943 80 R CB -1.074 29.235 30.300 0.015 0.000 0.850 80 R HN 0.432 nan 8.270 nan 0.000 0.433 81 N N 0.967 119.605 118.700 -0.104 0.000 2.060 81 N HA -0.263 4.477 4.740 -0.000 0.000 0.195 81 N C 1.800 177.220 175.510 -0.150 0.000 1.028 81 N CA 1.874 54.879 53.050 -0.076 0.000 0.861 81 N CB -0.079 38.409 38.487 0.001 0.000 1.029 81 N HN 0.248 nan 8.380 nan 0.000 0.428 82 M N 0.725 120.195 119.600 -0.216 0.000 2.065 82 M HA -0.170 4.310 4.480 -0.000 0.000 0.259 82 M C 2.109 178.178 176.300 -0.384 0.000 1.071 82 M CA 1.577 56.721 55.300 -0.259 0.000 1.109 82 M CB -0.187 32.227 32.600 -0.309 0.000 1.313 82 M HN 0.004 nan 8.290 nan 0.000 0.408 83 V N 0.573 120.132 119.914 -0.592 0.000 2.233 83 V HA -0.314 3.806 4.120 -0.000 0.000 0.247 83 V C 2.344 178.110 176.094 -0.547 0.000 1.050 83 V CA 2.529 64.462 62.300 -0.612 0.000 1.010 83 V CB -1.544 29.860 31.823 -0.700 0.000 0.637 83 V HN 0.594 nan 8.190 nan 0.000 0.444 84 T N 0.008 114.294 114.554 -0.447 0.000 2.597 84 T HA -0.305 4.045 4.350 -0.000 0.000 0.267 84 T C 2.025 176.580 174.700 -0.241 0.000 1.053 84 T CA 2.308 64.206 62.100 -0.336 0.000 1.165 84 T CB -0.353 68.463 68.868 -0.088 0.000 0.863 84 T HN 0.450 nan 8.240 nan 0.000 0.427 85 R N -0.043 120.356 120.500 -0.168 0.000 2.083 85 R HA -0.056 4.284 4.340 -0.000 0.000 0.237 85 R C 2.863 179.081 176.300 -0.137 0.000 1.137 85 R CA 1.543 57.579 56.100 -0.106 0.000 0.951 85 R CB -0.930 29.328 30.300 -0.070 0.000 0.851 85 R HN 0.391 nan 8.270 nan 0.000 0.434 86 c N 0.728 119.207 118.600 -0.201 0.000 2.429 86 c HA -0.037 4.532 4.570 -0.000 0.000 0.277 86 c C 2.341 176.290 174.090 -0.234 0.000 1.262 86 c CA 0.552 56.765 56.329 -0.192 0.000 1.733 86 c CB -1.048 41.327 42.510 -0.224 0.000 2.010 86 c HN 0.501 nan 8.230 nan 0.000 0.483 87 N N 1.295 119.757 118.700 -0.397 0.000 2.223 87 N HA -0.091 4.649 4.740 -0.000 0.000 0.185 87 N C 1.228 176.588 175.510 -0.250 0.000 1.016 87 N CA 1.135 53.868 53.050 -0.528 0.000 0.863 87 N CB -0.672 37.045 38.487 -1.284 0.000 0.983 87 N HN 0.507 nan 8.380 nan 0.000 0.429 88 N N -0.504 118.126 118.700 -0.118 0.000 2.520 88 N HA -0.075 4.665 4.740 -0.000 0.000 0.185 88 N C 0.993 176.511 175.510 0.013 0.000 1.068 88 N CA 0.521 53.603 53.050 0.055 0.000 0.911 88 N CB 0.252 38.781 38.487 0.071 0.000 0.961 88 N HN 0.180 nan 8.380 nan 0.000 0.446 89 V N -4.938 114.955 119.914 -0.035 0.000 3.319 89 V HA 0.561 4.681 4.120 -0.000 0.000 0.317 89 V C 1.195 177.274 176.094 -0.025 0.000 1.411 89 V CA 0.084 62.372 62.300 -0.020 0.000 1.112 89 V CB -0.041 31.773 31.823 -0.015 0.000 1.031 89 V HN 0.134 nan 8.190 nan 0.000 0.448 90 G N 0.463 109.234 108.800 -0.047 0.000 2.143 90 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.249 90 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.249 90 G C 0.040 174.918 174.900 -0.037 0.000 0.981 90 G CA 0.105 45.178 45.100 -0.044 0.000 0.665 90 G HN 0.824 nan 8.290 nan 0.000 0.528 91 V N 2.795 122.673 119.914 -0.061 0.000 2.318 91 V HA 0.482 4.602 4.120 -0.000 0.000 0.271 91 V C 0.759 176.789 176.094 -0.106 0.000 1.030 91 V CA -1.181 61.097 62.300 -0.037 0.000 0.844 91 V CB 1.121 32.925 31.823 -0.032 0.000 1.015 91 V HN 0.315 nan 8.190 nan 0.000 0.460 92 R N 4.153 124.612 120.500 -0.068 0.000 2.641 92 R HA 0.448 4.788 4.340 -0.000 0.000 0.269 92 R C -0.468 175.605 176.300 -0.379 0.000 1.074 92 R CA -0.509 55.460 56.100 -0.218 0.000 1.133 92 R CB 0.840 31.032 30.300 -0.181 0.000 1.029 92 R HN 0.413 nan 8.270 nan 0.000 0.488 93 I N 3.133 123.371 120.570 -0.554 0.000 2.378 93 I HA 0.243 4.413 4.170 -0.000 0.000 0.291 93 I C -0.620 175.082 176.117 -0.692 0.000 0.992 93 I CA -0.917 60.090 61.300 -0.488 0.000 1.154 93 I CB 1.015 38.762 38.000 -0.422 0.000 1.315 93 I HN 0.405 nan 8.210 nan 0.000 0.448 94 Y N 5.051 125.330 120.300 -0.034 0.000 2.328 94 Y HA 0.395 4.944 4.550 -0.000 0.000 0.333 94 Y C 0.311 176.195 175.900 -0.028 0.000 0.958 94 Y CA -0.827 57.239 58.100 -0.057 0.000 1.167 94 Y CB 1.710 40.237 38.460 0.112 0.000 1.151 94 Y HN 0.194 nan 8.280 nan 0.000 0.470 95 V N 3.660 123.581 119.914 0.010 0.000 2.530 95 V HA 0.023 4.143 4.120 -0.000 0.000 0.282 95 V C 0.121 176.321 176.094 0.177 0.000 1.048 95 V CA -0.469 61.908 62.300 0.129 0.000 0.997 95 V CB 1.134 33.047 31.823 0.150 0.000 0.987 95 V HN 0.659 nan 8.190 nan 0.000 0.477 96 D N 4.847 125.350 120.400 0.172 0.000 2.383 96 D HA 0.233 4.873 4.640 -0.000 0.000 0.245 96 D C 0.233 176.632 176.300 0.165 0.000 1.263 96 D CA -0.096 53.996 54.000 0.153 0.000 0.936 96 D CB 0.927 41.848 40.800 0.202 0.000 1.053 96 D HN 0.658 nan 8.370 nan 0.000 0.507 97 A N 3.994 126.883 122.820 0.115 0.000 2.395 97 A HA 0.299 4.619 4.320 -0.000 0.000 0.286 97 A C 0.119 177.773 177.584 0.116 0.000 1.193 97 A CA -0.506 51.582 52.037 0.085 0.000 0.852 97 A CB 0.461 19.380 19.000 -0.135 0.000 1.118 97 A HN 0.375 nan 8.150 nan 0.000 0.524 98 V N 5.800 125.812 119.914 0.163 0.000 2.284 98 V HA 0.170 4.290 4.120 -0.000 0.000 0.260 98 V C 0.920 177.022 176.094 0.012 0.000 1.084 98 V CA 0.299 62.646 62.300 0.079 0.000 0.894 98 V CB -0.244 31.605 31.823 0.043 0.000 1.119 98 V HN 0.880 nan 8.190 nan 0.000 0.484 99 I N 0.851 121.416 120.570 -0.008 0.000 4.327 99 I HA 0.331 4.501 4.170 -0.000 0.000 0.331 99 I C 1.459 177.557 176.117 -0.033 0.000 1.348 99 I CA 0.274 61.579 61.300 0.009 0.000 1.152 99 I CB 0.227 38.233 38.000 0.010 0.000 1.151 99 I HN 0.486 nan 8.210 nan 0.000 0.410 100 N N 1.591 120.273 118.700 -0.029 0.000 2.446 100 N HA -0.055 4.685 4.740 -0.000 0.000 0.179 100 N C 0.496 176.061 175.510 0.092 0.000 1.054 100 N CA 0.754 53.848 53.050 0.074 0.000 0.905 100 N CB 0.187 38.800 38.487 0.211 0.000 0.973 100 N HN 0.690 nan 8.380 nan 0.000 0.448 101 H N -3.619 115.451 119.070 -0.000 0.000 2.918 101 H HA 0.278 4.834 4.556 -0.000 0.000 0.303 101 H C -0.430 174.869 175.328 -0.049 0.000 1.380 101 H CA -0.843 55.195 56.048 -0.018 0.000 1.134 101 H CB 0.438 30.206 29.762 0.011 0.000 1.842 101 H HN -0.206 nan 8.280 nan 0.000 0.533 102 M N 0.680 120.325 119.600 0.075 0.000 2.318 102 M HA 0.311 4.791 4.480 -0.000 0.000 0.215 102 M C 1.054 177.447 176.300 0.155 0.000 0.683 102 M CA -0.086 55.161 55.300 -0.087 0.000 1.862 102 M CB -0.265 32.066 32.600 -0.449 0.000 1.122 102 M HN 0.835 nan 8.290 nan 0.000 0.905 103 C N -0.092 119.309 119.300 0.168 0.000 2.464 103 C HA 0.860 5.320 4.460 -0.000 0.000 0.398 103 C C 0.937 176.038 174.990 0.185 0.000 1.451 103 C CA -0.980 58.162 59.018 0.205 0.000 1.986 103 C CB -0.231 27.628 27.740 0.200 0.000 2.004 103 C HN 0.799 nan 8.230 nan 0.000 0.530 104 G N 1.326 110.211 108.800 0.142 0.000 2.491 104 G HA2 0.243 4.203 3.960 -0.000 0.000 0.242 104 G HA3 0.243 4.203 3.960 -0.000 0.000 0.242 104 G C 0.844 175.794 174.900 0.083 0.000 1.266 104 G CA 0.236 45.382 45.100 0.077 0.000 0.844 104 G HN 1.028 nan 8.290 nan 0.000 0.571 105 N N 1.239 119.955 118.700 0.027 0.000 2.309 105 N HA -0.110 4.630 4.740 -0.000 0.000 0.182 105 N C 2.028 177.532 175.510 -0.010 0.000 1.018 105 N CA 1.250 54.299 53.050 -0.002 0.000 0.876 105 N CB -0.370 38.093 38.487 -0.040 0.000 0.972 105 N HN 0.446 nan 8.380 nan 0.000 0.434 106 A N 1.403 124.222 122.820 -0.002 0.000 1.969 106 A HA 0.103 4.423 4.320 -0.000 0.000 0.218 106 A C 1.084 178.667 177.584 -0.001 0.000 1.169 106 A CA 0.265 52.298 52.037 -0.008 0.000 0.635 106 A CB -0.689 18.308 19.000 -0.004 0.000 0.810 106 A HN 0.134 nan 8.150 nan 0.000 0.445 107 V N 1.724 121.659 119.914 0.035 0.000 2.752 107 V HA -0.027 4.093 4.120 -0.000 0.000 0.306 107 V C 0.801 176.872 176.094 -0.038 0.000 1.099 107 V CA 0.198 62.529 62.300 0.050 0.000 1.240 107 V CB 0.328 32.248 31.823 0.162 0.000 0.887 107 V HN 0.421 nan 8.190 nan 0.000 0.499 108 S N 3.436 119.095 115.700 -0.068 0.000 2.564 108 S HA 0.501 4.971 4.470 -0.000 0.000 0.278 108 S C 0.493 174.887 174.600 -0.343 0.000 1.333 108 S CA -0.159 57.949 58.200 -0.153 0.000 1.048 108 S CB 1.117 64.253 63.200 -0.107 0.000 0.900 108 S HN 1.118 nan 8.310 nan 0.000 0.505 109 A N 2.341 124.921 122.820 -0.400 0.000 2.445 109 A HA 0.699 5.019 4.320 -0.000 0.000 0.242 109 A C 0.956 178.219 177.584 -0.535 0.000 1.075 109 A CA 0.432 52.072 52.037 -0.662 0.000 0.777 109 A CB -0.256 18.497 19.000 -0.413 0.000 1.013 109 A HN 1.211 nan 8.150 nan 0.000 0.493 110 G N -0.616 107.719 108.800 -0.775 0.000 2.455 110 G HA2 0.400 4.360 3.960 -0.000 0.000 0.223 110 G HA3 0.400 4.360 3.960 -0.000 0.000 0.223 110 G C 0.166 174.929 174.900 -0.229 0.000 1.226 110 G CA 0.773 45.702 45.100 -0.286 0.000 0.948 110 G HN 1.622 nan 8.290 nan 0.000 0.478 111 T N -2.473 112.088 114.554 0.013 0.000 3.170 111 T HA 0.443 4.793 4.350 -0.000 0.000 0.288 111 T C 0.999 175.807 174.700 0.181 0.000 0.992 111 T CA 1.116 63.303 62.100 0.144 0.000 0.909 111 T CB 0.630 69.579 68.868 0.135 0.000 1.133 111 T HN 1.044 nan 8.240 nan 0.000 0.530 112 S N 3.261 119.071 115.700 0.184 0.000 3.716 112 S HA 0.393 4.863 4.470 -0.000 0.000 0.254 112 S C 0.124 174.864 174.600 0.234 0.000 1.209 112 S CA -0.241 58.083 58.200 0.205 0.000 1.026 112 S CB -1.180 62.140 63.200 0.200 0.000 1.625 112 S HN 0.801 nan 8.310 nan 0.000 0.500 113 S N 1.539 117.321 115.700 0.137 0.000 2.536 113 S HA 0.319 4.789 4.470 -0.000 0.000 0.271 113 S C 1.022 175.614 174.600 -0.013 0.000 1.134 113 S CA -0.278 57.932 58.200 0.017 0.000 0.897 113 S CB 1.034 64.214 63.200 -0.033 0.000 1.094 113 S HN 0.497 nan 8.310 nan 0.000 0.473 114 T N -1.749 112.767 114.554 -0.065 0.000 2.836 114 T HA -0.214 4.136 4.350 -0.000 0.000 0.268 114 T C 1.297 175.979 174.700 -0.030 0.000 1.080 114 T CA 1.737 63.800 62.100 -0.062 0.000 1.128 114 T CB -0.752 68.061 68.868 -0.091 0.000 0.839 114 T HN 0.738 nan 8.240 nan 0.000 0.507 115 c N 0.285 118.873 118.600 -0.020 0.000 3.491 115 c HA 0.670 5.240 4.570 -0.000 0.000 0.298 115 c C 2.020 176.127 174.090 0.027 0.000 1.424 115 c CA -0.016 56.316 56.329 0.004 0.000 1.772 115 c CB -0.723 41.788 42.510 0.001 0.000 2.447 115 c HN 0.976 nan 8.230 nan 0.000 0.670 116 G N 1.646 110.470 108.800 0.040 0.000 2.143 116 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.249 116 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.249 116 G C 0.140 175.101 174.900 0.101 0.000 0.981 116 G CA 0.562 45.706 45.100 0.073 0.000 0.665 116 G HN 0.564 nan 8.290 nan 0.000 0.528 117 S N -0.466 115.289 115.700 0.093 0.000 2.576 117 S HA 0.478 4.948 4.470 -0.000 0.000 0.276 117 S C 0.119 174.852 174.600 0.220 0.000 1.339 117 S CA -0.363 57.913 58.200 0.127 0.000 1.039 117 S CB 0.936 64.181 63.200 0.076 0.000 0.902 117 S HN 0.600 nan 8.310 nan 0.000 0.516 118 Y N 3.069 123.444 120.300 0.125 0.000 2.298 118 Y HA 0.559 5.109 4.550 -0.000 0.000 0.329 118 Y C -0.466 175.553 175.900 0.199 0.000 1.293 118 Y CA -0.851 57.314 58.100 0.108 0.000 1.388 118 Y CB 0.453 38.917 38.460 0.007 0.000 1.309 118 Y HN 0.591 nan 8.280 nan 0.000 0.544 119 F N 2.696 121.768 119.950 -1.464 0.000 2.714 119 F HA 0.297 4.824 4.527 -0.000 0.000 0.313 119 F C -2.361 172.713 175.800 -1.210 0.000 1.104 119 F CA -1.467 55.844 58.000 -1.149 0.000 1.005 119 F CB 0.550 39.094 39.000 -0.761 0.000 1.268 119 F HN 0.456 nan 8.300 nan 0.000 0.449 120 N N 4.560 122.666 118.700 -0.991 0.000 2.573 120 N HA 0.492 5.231 4.740 -0.000 0.000 0.262 120 N C -2.583 172.627 175.510 -0.500 0.000 1.029 120 N CA -2.473 50.174 53.050 -0.672 0.000 0.882 120 N CB 2.324 40.632 38.487 -0.298 0.000 1.204 120 N HN 0.334 nan 8.380 nan 0.000 0.519 121 P HA 0.024 nan 4.420 nan 0.000 0.217 121 P C 1.258 178.459 177.300 -0.165 0.000 1.150 121 P CA 1.034 64.032 63.100 -0.171 0.000 0.832 121 P CB 0.202 31.903 31.700 0.002 0.000 0.787 122 G N -0.116 108.586 108.800 -0.162 0.000 2.432 122 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.219 122 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.219 122 G C 1.486 176.304 174.900 -0.136 0.000 1.135 122 G CA 1.205 46.227 45.100 -0.129 0.000 0.767 122 G HN 0.428 nan 8.290 nan 0.000 0.550 123 S N -1.317 114.292 115.700 -0.152 0.000 2.556 123 S HA 0.285 4.755 4.470 -0.000 0.000 0.216 123 S C 1.107 175.608 174.600 -0.164 0.000 0.970 123 S CA 0.268 58.389 58.200 -0.133 0.000 0.912 123 S CB 0.281 63.422 63.200 -0.100 0.000 0.790 123 S HN 0.266 nan 8.310 nan 0.000 0.504 124 R N 0.450 120.824 120.500 -0.210 0.000 3.423 124 R HA -0.136 4.204 4.340 -0.000 0.000 0.271 124 R C -1.743 174.547 176.300 -0.017 0.000 1.093 124 R CA 0.841 56.799 56.100 -0.237 0.000 0.730 124 R CB -2.346 27.742 30.300 -0.354 0.000 1.190 124 R HN 0.529 nan 8.270 nan 0.000 0.437 125 D N -0.439 119.880 120.400 -0.135 0.000 2.381 125 D HA 0.324 4.964 4.640 -0.000 0.000 0.235 125 D C -0.813 175.372 176.300 -0.193 0.000 1.068 125 D CA -0.171 53.813 54.000 -0.027 0.000 0.832 125 D CB 0.503 41.294 40.800 -0.016 0.000 1.101 125 D HN 0.065 nan 8.370 nan 0.000 0.515 126 F N 4.371 124.448 119.950 0.211 0.000 2.449 126 F HA 0.276 4.803 4.527 -0.000 0.000 0.329 126 F C -1.390 174.496 175.800 0.143 0.000 1.245 126 F CA -1.755 56.360 58.000 0.191 0.000 1.193 126 F CB 1.442 40.588 39.000 0.243 0.000 1.425 126 F HN 0.281 nan 8.300 nan 0.000 0.544 127 P HA -0.239 nan 4.420 nan 0.000 0.219 127 P C 1.131 178.519 177.300 0.146 0.000 1.144 127 P CA 1.363 64.579 63.100 0.194 0.000 0.806 127 P CB 0.322 32.146 31.700 0.206 0.000 0.771 128 A N -1.088 121.811 122.820 0.131 0.000 2.278 128 A HA 0.194 4.514 4.320 -0.000 0.000 0.212 128 A C 2.010 179.596 177.584 0.003 0.000 1.213 128 A CA 0.278 52.356 52.037 0.068 0.000 0.840 128 A CB -0.623 18.410 19.000 0.055 0.000 0.866 128 A HN 0.087 nan 8.150 nan 0.000 0.489 129 V N 0.377 120.273 119.914 -0.030 0.000 2.599 129 V HA 0.104 4.223 4.120 -0.000 0.000 0.237 129 V C -1.689 174.344 176.094 -0.101 0.000 1.081 129 V CA 0.853 63.044 62.300 -0.181 0.000 1.107 129 V CB -0.333 31.124 31.823 -0.610 0.000 0.808 129 V HN 0.475 nan 8.190 nan 0.000 0.486 130 P HA 0.455 nan 4.420 nan 0.000 0.292 130 P C -2.046 175.374 177.300 0.199 0.000 1.300 130 P CA -0.270 62.887 63.100 0.094 0.000 0.900 130 P CB 2.087 33.901 31.700 0.191 0.000 1.139 131 Y N -0.815 119.688 120.300 0.338 0.000 2.570 131 Y HA 0.667 5.217 4.550 -0.000 0.000 0.345 131 Y C 0.763 176.859 175.900 0.327 0.000 1.014 131 Y CA -0.720 57.582 58.100 0.337 0.000 1.063 131 Y CB 2.334 40.924 38.460 0.217 0.000 1.272 131 Y HN 0.398 nan 8.280 nan 0.000 0.477 132 S N -1.084 114.834 115.700 0.364 0.000 2.688 132 S HA 0.501 4.971 4.470 -0.000 0.000 0.275 132 S C 0.974 175.424 174.600 -0.250 0.000 1.175 132 S CA -0.125 58.057 58.200 -0.030 0.000 0.818 132 S CB 0.835 63.807 63.200 -0.379 0.000 1.157 132 S HN 0.980 nan 8.310 nan 0.000 0.482 133 G N 1.253 109.748 108.800 -0.508 0.000 2.759 133 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.224 133 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.224 133 G C 1.066 175.876 174.900 -0.150 0.000 1.173 133 G CA 2.025 46.914 45.100 -0.351 0.000 0.770 133 G HN 0.934 nan 8.290 nan 0.000 0.626 134 W N 0.445 121.851 121.300 0.177 0.000 2.961 134 W HA 0.382 5.042 4.660 -0.000 0.000 0.240 134 W C 0.612 177.193 176.519 0.103 0.000 1.305 134 W CA 0.135 57.551 57.345 0.119 0.000 1.465 134 W CB -0.114 29.379 29.460 0.055 0.000 1.135 134 W HN 0.052 nan 8.180 nan 0.000 0.688 135 D N -0.131 120.383 120.400 0.189 0.000 2.349 135 D HA 0.084 4.723 4.640 -0.000 0.000 0.214 135 D C -0.559 175.527 176.300 -0.357 0.000 1.063 135 D CA 0.288 54.298 54.000 0.017 0.000 0.847 135 D CB -0.091 40.696 40.800 -0.022 0.000 0.933 135 D HN 0.062 nan 8.370 nan 0.000 0.513 136 F N 0.280 120.211 119.950 -0.031 0.000 2.538 136 F HA 0.303 4.830 4.527 -0.000 0.000 0.325 136 F C 1.371 177.176 175.800 0.008 0.000 1.066 136 F CA -1.087 56.885 58.000 -0.048 0.000 0.946 136 F CB 0.875 39.841 39.000 -0.057 0.000 1.199 136 F HN -0.367 nan 8.300 nan 0.000 0.473 137 N N 1.396 120.206 118.700 0.185 0.000 2.627 137 N HA -0.109 4.631 4.740 -0.000 0.000 0.196 137 N C 0.960 176.542 175.510 0.120 0.000 1.268 137 N CA 0.457 53.588 53.050 0.135 0.000 0.904 137 N CB -0.345 38.211 38.487 0.115 0.000 1.016 137 N HN 0.596 nan 8.380 nan 0.000 0.448 138 D N 0.676 121.154 120.400 0.130 0.000 2.192 138 D HA -0.196 4.444 4.640 -0.000 0.000 0.189 138 D C 1.873 178.214 176.300 0.067 0.000 1.007 138 D CA 1.636 55.683 54.000 0.078 0.000 0.859 138 D CB -0.366 40.469 40.800 0.059 0.000 0.936 138 D HN 0.361 nan 8.370 nan 0.000 0.447 139 G N 0.778 109.626 108.800 0.081 0.000 2.484 139 G HA2 -0.302 3.657 3.960 -0.000 0.000 0.215 139 G HA3 -0.302 3.657 3.960 -0.000 0.000 0.215 139 G C 1.569 176.507 174.900 0.063 0.000 1.219 139 G CA 1.101 46.243 45.100 0.069 0.000 0.791 139 G HN 0.263 nan 8.290 nan 0.000 0.550 140 K N -0.377 120.067 120.400 0.074 0.000 2.107 140 K HA -0.188 4.131 4.320 -0.000 0.000 0.211 140 K C 1.245 177.888 176.600 0.073 0.000 1.049 140 K CA 0.896 57.228 56.287 0.075 0.000 0.927 140 K CB -0.528 32.029 32.500 0.095 0.000 0.714 140 K HN 0.333 nan 8.250 nan 0.000 0.452 141 c N 2.469 121.109 118.600 0.067 0.000 2.633 141 c HA 0.074 4.644 4.570 -0.000 0.000 0.415 141 c C 1.234 175.346 174.090 0.037 0.000 1.393 141 c CA -0.516 55.844 56.329 0.051 0.000 1.700 141 c CB -0.016 42.515 42.510 0.035 0.000 2.541 141 c HN 0.378 nan 8.230 nan 0.000 0.603 142 K N 3.380 123.801 120.400 0.034 0.000 2.400 142 K HA 0.037 4.357 4.320 -0.000 0.000 0.194 142 K C 1.302 177.909 176.600 0.012 0.000 1.033 142 K CA 0.507 56.809 56.287 0.025 0.000 1.021 142 K CB -0.422 32.096 32.500 0.029 0.000 0.808 142 K HN 0.932 nan 8.250 nan 0.000 0.505 143 T N -2.497 112.059 114.554 0.004 0.000 2.766 143 T HA 0.223 4.573 4.350 -0.000 0.000 0.295 143 T C 1.554 176.251 174.700 -0.004 0.000 1.024 143 T CA 0.008 62.104 62.100 -0.005 0.000 1.018 143 T CB 1.476 70.333 68.868 -0.019 0.000 1.002 143 T HN 0.131 nan 8.240 nan 0.000 0.532 144 G N 0.326 109.121 108.800 -0.007 0.000 2.394 144 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.215 144 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.215 144 G C 1.776 176.670 174.900 -0.010 0.000 1.165 144 G CA 0.758 45.854 45.100 -0.006 0.000 0.784 144 G HN 0.959 nan 8.290 nan 0.000 0.535 145 S N -0.771 114.920 115.700 -0.015 0.000 2.478 145 S HA 0.342 4.812 4.470 -0.000 0.000 0.222 145 S C 1.965 176.551 174.600 -0.023 0.000 1.008 145 S CA 1.096 59.284 58.200 -0.020 0.000 0.928 145 S CB 0.023 63.208 63.200 -0.025 0.000 0.781 145 S HN 1.533 nan 8.310 nan 0.000 0.518 146 G N 0.710 109.497 108.800 -0.021 0.000 2.176 146 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.253 146 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.253 146 G C -0.438 174.441 174.900 -0.035 0.000 0.979 146 G CA 0.217 45.306 45.100 -0.019 0.000 0.641 146 G HN 0.565 nan 8.290 nan 0.000 0.530 147 D N -0.314 120.059 120.400 -0.045 0.000 2.326 147 D HA 0.585 5.225 4.640 -0.000 0.000 0.251 147 D C 0.939 177.190 176.300 -0.082 0.000 1.023 147 D CA -0.588 53.372 54.000 -0.067 0.000 0.966 147 D CB 0.905 41.670 40.800 -0.060 0.000 1.156 147 D HN 0.201 nan 8.370 nan 0.000 0.494 148 I N 1.829 122.327 120.570 -0.121 0.000 2.494 148 I HA 0.006 4.176 4.170 -0.000 0.000 0.289 148 I C 1.219 177.271 176.117 -0.110 0.000 1.106 148 I CA 0.471 61.666 61.300 -0.174 0.000 1.369 148 I CB 0.392 38.206 38.000 -0.310 0.000 1.410 148 I HN 0.334 nan 8.210 nan 0.000 0.523 149 E N 3.849 123.998 120.200 -0.084 0.000 2.340 149 E HA 0.040 4.390 4.350 -0.000 0.000 0.198 149 E C 0.122 176.725 176.600 0.004 0.000 0.961 149 E CA 0.237 56.620 56.400 -0.027 0.000 0.905 149 E CB 0.355 30.042 29.700 -0.022 0.000 0.884 149 E HN 0.489 nan 8.360 nan 0.000 0.491 150 N N -0.356 118.325 118.700 -0.031 0.000 2.558 150 N HA 0.082 4.822 4.740 -0.000 0.000 0.285 150 N C -1.088 174.415 175.510 -0.011 0.000 1.112 150 N CA -0.315 52.749 53.050 0.022 0.000 0.857 150 N CB 0.453 38.948 38.487 0.013 0.000 1.376 150 N HN -0.106 nan 8.380 nan 0.000 0.526 151 Y N 1.386 121.681 120.300 -0.008 0.000 2.665 151 Y HA 0.061 4.611 4.550 -0.000 0.000 0.320 151 Y C 1.842 177.735 175.900 -0.012 0.000 1.204 151 Y CA 0.503 58.598 58.100 -0.009 0.000 1.315 151 Y CB -0.187 38.266 38.460 -0.013 0.000 1.033 151 Y HN 0.613 nan 8.280 nan 0.000 0.509 152 N N 0.046 118.796 118.700 0.082 0.000 2.236 152 N HA -0.075 4.665 4.740 -0.000 0.000 0.196 152 N C -0.454 175.070 175.510 0.023 0.000 1.114 152 N CA 0.336 53.418 53.050 0.053 0.000 0.859 152 N CB 0.310 38.825 38.487 0.047 0.000 0.982 152 N HN 0.234 nan 8.380 nan 0.000 0.493 153 D N 0.503 120.901 120.400 -0.003 0.000 2.736 153 D HA 0.387 5.027 4.640 -0.000 0.000 0.293 153 D C 1.193 177.476 176.300 -0.028 0.000 1.241 153 D CA -0.284 53.712 54.000 -0.006 0.000 0.965 153 D CB 0.623 41.417 40.800 -0.010 0.000 0.992 153 D HN 0.178 nan 8.370 nan 0.000 0.510 154 A N 1.585 124.394 122.820 -0.019 0.000 1.968 154 A HA -0.372 3.948 4.320 -0.000 0.000 0.227 154 A C 2.210 179.724 177.584 -0.118 0.000 1.381 154 A CA 2.669 54.668 52.037 -0.064 0.000 0.697 154 A CB -1.244 17.756 19.000 -0.001 0.000 0.836 154 A HN 0.509 nan 8.150 nan 0.000 0.497 155 T N -0.388 114.199 114.554 0.055 0.000 2.777 155 T HA -0.198 4.152 4.350 -0.000 0.000 0.266 155 T C 2.042 176.783 174.700 0.068 0.000 1.040 155 T CA 1.911 64.131 62.100 0.199 0.000 1.141 155 T CB -0.402 68.656 68.868 0.318 0.000 0.868 155 T HN 0.851 nan 8.240 nan 0.000 0.444 156 Q N 0.167 119.968 119.800 0.002 0.000 2.369 156 Q HA 0.029 4.369 4.340 -0.000 0.000 0.206 156 Q C 2.061 177.990 176.000 -0.119 0.000 0.963 156 Q CA 0.966 56.748 55.803 -0.035 0.000 0.894 156 Q CB -0.374 28.335 28.738 -0.049 0.000 0.965 156 Q HN 0.407 nan 8.270 nan 0.000 0.475 157 V N 0.943 120.743 119.914 -0.190 0.000 2.427 157 V HA -0.178 3.942 4.120 -0.000 0.000 0.248 157 V C 1.918 177.929 176.094 -0.139 0.000 1.051 157 V CA 1.960 64.123 62.300 -0.228 0.000 1.048 157 V CB -0.289 31.362 31.823 -0.286 0.000 0.666 157 V HN 0.303 nan 8.190 nan 0.000 0.456 158 R N -0.187 120.139 120.500 -0.291 0.000 2.223 158 R HA 0.058 4.398 4.340 -0.000 0.000 0.198 158 R C 1.410 177.666 176.300 -0.073 0.000 0.984 158 R CA 0.633 56.532 56.100 -0.335 0.000 1.018 158 R CB -0.114 29.535 30.300 -1.084 0.000 0.945 158 R HN 0.428 nan 8.270 nan 0.000 0.479 159 D N -1.147 119.270 120.400 0.028 0.000 2.360 159 D HA 0.104 4.744 4.640 -0.000 0.000 0.210 159 D C -0.125 176.206 176.300 0.051 0.000 1.047 159 D CA 0.290 54.359 54.000 0.115 0.000 0.854 159 D CB 0.323 41.234 40.800 0.186 0.000 0.936 159 D HN 0.090 nan 8.370 nan 0.000 0.514 160 c N 0.442 119.037 118.600 -0.007 0.000 2.595 160 c HA 0.514 5.084 4.570 -0.000 0.000 0.338 160 c C 0.481 174.530 174.090 -0.068 0.000 1.219 160 c CA -1.131 55.180 56.329 -0.030 0.000 1.811 160 c CB 1.754 44.231 42.510 -0.054 0.000 2.313 160 c HN 0.041 nan 8.230 nan 0.000 0.499 161 R N 1.081 121.540 120.500 -0.068 0.000 2.401 161 R HA 0.326 4.666 4.340 -0.000 0.000 0.299 161 R C -0.558 175.635 176.300 -0.178 0.000 1.064 161 R CA -0.388 55.651 56.100 -0.101 0.000 1.000 161 R CB 0.212 30.473 30.300 -0.065 0.000 0.973 161 R HN 0.514 nan 8.270 nan 0.000 0.438 162 L N 2.951 124.009 121.223 -0.274 0.000 2.342 162 L HA 0.072 4.412 4.340 -0.000 0.000 0.285 162 L C -0.212 176.493 176.870 -0.275 0.000 1.095 162 L CA 0.665 55.284 54.840 -0.369 0.000 0.843 162 L CB 0.718 42.406 42.059 -0.618 0.000 1.201 162 L HN 0.756 nan 8.230 nan 0.000 0.445 163 S N 3.782 119.367 115.700 -0.192 0.000 3.698 163 S HA -0.147 4.323 4.470 -0.000 0.000 0.338 163 S C 1.185 175.699 174.600 -0.143 0.000 1.089 163 S CA 1.159 59.260 58.200 -0.166 0.000 0.991 163 S CB -1.908 61.166 63.200 -0.209 0.000 0.909 163 S HN 1.889 nan 8.310 nan 0.000 0.485 164 G N -0.510 108.219 108.800 -0.118 0.000 2.205 164 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.261 164 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.261 164 G C 0.068 174.924 174.900 -0.073 0.000 0.980 164 G CA 0.267 45.317 45.100 -0.083 0.000 0.632 164 G HN 0.737 nan 8.290 nan 0.000 0.533 165 L N 1.533 122.685 121.223 -0.118 0.000 2.562 165 L HA 0.229 4.569 4.340 -0.000 0.000 0.271 165 L C 1.322 178.185 176.870 -0.011 0.000 1.167 165 L CA -0.434 54.347 54.840 -0.098 0.000 0.917 165 L CB 0.464 42.328 42.059 -0.326 0.000 1.187 165 L HN 0.150 nan 8.230 nan 0.000 0.482 166 L N 4.103 125.365 121.223 0.065 0.000 2.700 166 L HA -0.080 4.260 4.340 -0.000 0.000 0.276 166 L C 0.616 177.640 176.870 0.257 0.000 1.200 166 L CA 0.292 55.204 54.840 0.120 0.000 0.951 166 L CB -0.247 41.840 42.059 0.047 0.000 1.226 166 L HN 0.554 nan 8.230 nan 0.000 0.489 167 D N 5.215 125.741 120.400 0.211 0.000 2.365 167 D HA 0.212 4.852 4.640 -0.000 0.000 0.237 167 D C 0.039 176.418 176.300 0.131 0.000 1.190 167 D CA -0.325 53.769 54.000 0.158 0.000 0.867 167 D CB 0.722 41.569 40.800 0.080 0.000 1.050 167 D HN 0.292 nan 8.370 nan 0.000 0.491 168 L N 2.261 123.457 121.223 -0.044 0.000 2.525 168 L HA 0.030 4.370 4.340 -0.000 0.000 0.278 168 L C 0.989 177.751 176.870 -0.180 0.000 1.218 168 L CA -0.258 54.357 54.840 -0.375 0.000 0.878 168 L CB 0.517 42.294 42.059 -0.470 0.000 1.127 168 L HN 0.437 nan 8.230 nan 0.000 0.492 169 A N 5.730 128.421 122.820 -0.215 0.000 2.906 169 A HA 0.256 4.576 4.320 -0.000 0.000 0.289 169 A C 1.036 178.608 177.584 -0.020 0.000 1.675 169 A CA -0.302 51.709 52.037 -0.043 0.000 1.372 169 A CB -0.465 18.536 19.000 0.002 0.000 1.091 169 A HN 0.819 nan 8.150 nan 0.000 0.579 170 L N 1.839 123.075 121.223 0.022 0.000 2.622 170 L HA -0.041 4.299 4.340 -0.000 0.000 0.233 170 L C 2.335 179.244 176.870 0.066 0.000 1.156 170 L CA 0.856 55.721 54.840 0.042 0.000 0.866 170 L CB -0.287 41.813 42.059 0.069 0.000 0.980 170 L HN 0.751 nan 8.230 nan 0.000 0.448 171 G N -0.210 108.634 108.800 0.073 0.000 2.430 171 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.216 171 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.216 171 G C 0.954 175.877 174.900 0.038 0.000 1.146 171 G CA -0.042 45.086 45.100 0.046 0.000 0.793 171 G HN 0.128 nan 8.290 nan 0.000 0.537 172 K N 0.767 121.201 120.400 0.057 0.000 2.326 172 K HA 0.073 4.393 4.320 -0.000 0.000 0.275 172 K C 0.560 177.212 176.600 0.087 0.000 1.018 172 K CA -0.042 56.292 56.287 0.079 0.000 0.962 172 K CB 1.676 34.248 32.500 0.120 0.000 0.953 172 K HN 0.096 nan 8.250 nan 0.000 0.475 173 D N 1.673 122.126 120.400 0.089 0.000 2.144 173 D HA -0.206 4.434 4.640 -0.000 0.000 0.200 173 D C 1.627 177.994 176.300 0.112 0.000 0.978 173 D CA 1.155 55.201 54.000 0.076 0.000 0.833 173 D CB -0.023 40.813 40.800 0.061 0.000 0.961 173 D HN 0.596 nan 8.370 nan 0.000 0.470 174 Y N 0.490 120.822 120.300 0.053 0.000 2.114 174 Y HA -0.241 4.309 4.550 -0.000 0.000 0.282 174 Y C 2.038 178.008 175.900 0.117 0.000 1.165 174 Y CA 1.681 59.832 58.100 0.086 0.000 1.148 174 Y CB -0.475 38.057 38.460 0.120 0.000 0.972 174 Y HN -0.059 nan 8.280 nan 0.000 0.504 175 V N 0.682 120.706 119.914 0.183 0.000 2.358 175 V HA -0.281 3.839 4.120 -0.000 0.000 0.246 175 V C 2.360 178.461 176.094 0.013 0.000 1.047 175 V CA 2.255 64.623 62.300 0.112 0.000 1.035 175 V CB -0.598 31.257 31.823 0.053 0.000 0.658 175 V HN 0.339 nan 8.190 nan 0.000 0.452 176 R N -0.034 120.467 120.500 0.001 0.000 2.096 176 R HA -0.119 4.221 4.340 -0.000 0.000 0.235 176 R C 2.545 178.799 176.300 -0.077 0.000 1.127 176 R CA 1.655 57.735 56.100 -0.032 0.000 0.968 176 R CB -0.451 29.840 30.300 -0.015 0.000 0.861 176 R HN 0.426 nan 8.270 nan 0.000 0.440 177 S N 0.453 116.100 115.700 -0.088 0.000 2.387 177 S HA -0.035 4.435 4.470 -0.000 0.000 0.226 177 S C 1.680 176.172 174.600 -0.179 0.000 1.026 177 S CA 0.854 58.981 58.200 -0.121 0.000 0.972 177 S CB 0.061 63.198 63.200 -0.105 0.000 0.814 177 S HN 0.145 nan 8.310 nan 0.000 0.477 178 K N 1.450 121.710 120.400 -0.234 0.000 2.097 178 K HA 0.117 4.437 4.320 -0.000 0.000 0.205 178 K C 1.879 178.325 176.600 -0.256 0.000 1.050 178 K CA 0.922 57.060 56.287 -0.249 0.000 0.938 178 K CB -0.578 31.773 32.500 -0.249 0.000 0.718 178 K HN 0.398 nan 8.250 nan 0.000 0.442 179 I N 0.570 121.020 120.570 -0.199 0.000 2.233 179 I HA -0.221 3.949 4.170 -0.000 0.000 0.243 179 I C 2.322 178.273 176.117 -0.278 0.000 1.093 179 I CA 1.008 62.142 61.300 -0.277 0.000 1.380 179 I CB -0.385 37.532 38.000 -0.140 0.000 1.067 179 I HN 0.014 nan 8.210 nan 0.000 0.413 180 A N 0.357 123.042 122.820 -0.225 0.000 1.940 180 A HA -0.281 4.039 4.320 -0.000 0.000 0.219 180 A C 2.284 179.722 177.584 -0.244 0.000 1.176 180 A CA 1.997 53.891 52.037 -0.239 0.000 0.631 180 A CB -0.667 18.227 19.000 -0.177 0.000 0.814 180 A HN 0.513 nan 8.150 nan 0.000 0.446 181 E N -1.482 118.599 120.200 -0.198 0.000 2.077 181 E HA -0.250 4.100 4.350 -0.000 0.000 0.193 181 E C 1.868 178.410 176.600 -0.096 0.000 0.989 181 E CA 1.568 57.881 56.400 -0.145 0.000 0.800 181 E CB -0.350 29.278 29.700 -0.121 0.000 0.746 181 E HN 0.717 nan 8.360 nan 0.000 0.452 182 Y N 1.010 121.114 120.300 -0.327 0.000 2.114 182 Y HA -0.193 4.357 4.550 -0.000 0.000 0.284 182 Y C 2.051 177.818 175.900 -0.222 0.000 1.143 182 Y CA 1.984 59.888 58.100 -0.326 0.000 1.135 182 Y CB -0.558 37.429 38.460 -0.788 0.000 0.980 182 Y HN 0.026 nan 8.280 nan 0.000 0.499 183 M N 0.225 119.458 119.600 -0.612 0.000 2.213 183 M HA -0.223 4.257 4.480 -0.000 0.000 0.263 183 M C 1.778 177.919 176.300 -0.265 0.000 1.062 183 M CA 1.576 56.479 55.300 -0.661 0.000 1.105 183 M CB -0.408 31.690 32.600 -0.837 0.000 1.385 183 M HN 0.264 nan 8.290 nan 0.000 0.417 184 N N -0.426 118.127 118.700 -0.245 0.000 2.270 184 N HA -0.151 4.589 4.740 -0.000 0.000 0.181 184 N C 1.549 177.050 175.510 -0.015 0.000 1.016 184 N CA 1.061 53.974 53.050 -0.229 0.000 0.870 184 N CB -0.502 37.650 38.487 -0.559 0.000 0.979 184 N HN 0.575 nan 8.380 nan 0.000 0.431 185 H N 0.801 119.816 119.070 -0.091 0.000 2.290 185 H HA -0.058 4.498 4.556 -0.000 0.000 0.298 185 H C 2.121 177.467 175.328 0.030 0.000 1.087 185 H CA 1.211 57.261 56.048 0.003 0.000 1.291 185 H CB -0.002 29.779 29.762 0.032 0.000 1.369 185 H HN 0.067 nan 8.280 nan 0.000 0.492 186 L N 0.565 121.747 121.223 -0.068 0.000 1.971 186 L HA -0.264 4.076 4.340 -0.000 0.000 0.215 186 L C 2.818 179.695 176.870 0.012 0.000 1.072 186 L CA 1.551 56.341 54.840 -0.084 0.000 0.758 186 L CB -0.460 41.554 42.059 -0.073 0.000 0.889 186 L HN 0.404 nan 8.230 nan 0.000 0.433 187 I N -0.182 120.414 120.570 0.043 0.000 2.145 187 I HA -0.371 3.799 4.170 -0.000 0.000 0.244 187 I C 2.122 178.298 176.117 0.098 0.000 1.075 187 I CA 1.460 62.779 61.300 0.031 0.000 1.332 187 I CB -0.631 37.402 38.000 0.055 0.000 1.033 187 I HN 0.356 nan 8.210 nan 0.000 0.410 188 D N 0.894 121.389 120.400 0.158 0.000 2.221 188 D HA -0.151 4.488 4.640 -0.000 0.000 0.204 188 D C 2.189 178.611 176.300 0.204 0.000 0.982 188 D CA 1.326 55.450 54.000 0.206 0.000 0.857 188 D CB -0.115 40.825 40.800 0.234 0.000 0.934 188 D HN 0.442 nan 8.370 nan 0.000 0.475 189 I N -0.609 120.051 120.570 0.150 0.000 2.353 189 I HA -0.031 4.139 4.170 -0.000 0.000 0.248 189 I C 1.676 177.798 176.117 0.010 0.000 1.119 189 I CA 1.137 62.493 61.300 0.094 0.000 1.417 189 I CB 0.090 38.114 38.000 0.040 0.000 1.078 189 I HN 0.112 nan 8.210 nan 0.000 0.421 190 G N 0.343 109.139 108.800 -0.007 0.000 2.456 190 G HA2 -0.094 3.865 3.960 -0.000 0.000 0.208 190 G HA3 -0.094 3.865 3.960 -0.000 0.000 0.208 190 G C 0.048 174.874 174.900 -0.124 0.000 1.004 190 G CA -0.552 44.504 45.100 -0.073 0.000 0.791 190 G HN 0.010 nan 8.290 nan 0.000 0.537 191 V N 0.957 120.762 119.914 -0.183 0.000 2.872 191 V HA 0.443 4.562 4.120 -0.000 0.000 0.307 191 V C 1.638 177.469 176.094 -0.439 0.000 1.072 191 V CA 1.161 63.258 62.300 -0.337 0.000 1.148 191 V CB 1.525 33.116 31.823 -0.388 0.000 0.954 191 V HN 0.779 nan 8.190 nan 0.000 0.490 192 A N 2.397 124.892 122.820 -0.541 0.000 2.252 192 A HA 0.686 5.005 4.320 -0.000 0.000 0.213 192 A C 0.912 178.298 177.584 -0.329 0.000 1.188 192 A CA 0.803 52.519 52.037 -0.535 0.000 0.863 192 A CB 0.121 18.904 19.000 -0.362 0.000 0.893 192 A HN 1.374 nan 8.150 nan 0.000 0.495 193 G N -1.932 106.580 108.800 -0.481 0.000 2.335 193 G HA2 0.470 4.430 3.960 -0.000 0.000 0.291 193 G HA3 0.470 4.430 3.960 -0.000 0.000 0.291 193 G C -1.328 173.020 174.900 -0.920 0.000 1.261 193 G CA -0.587 44.259 45.100 -0.424 0.000 0.871 193 G HN 0.272 nan 8.290 nan 0.000 0.491 194 F N -1.030 118.856 119.950 -0.106 0.000 2.715 194 F HA 0.785 5.312 4.527 -0.000 0.000 0.318 194 F C 0.128 175.473 175.800 -0.758 0.000 1.141 194 F CA -0.979 56.851 58.000 -0.283 0.000 0.950 194 F CB 2.144 40.985 39.000 -0.265 0.000 1.374 194 F HN 0.459 nan 8.300 nan 0.000 0.477 195 R N 2.166 122.388 120.500 -0.463 0.000 2.358 195 R HA 0.415 4.755 4.340 -0.000 0.000 0.309 195 R C -1.620 174.510 176.300 -0.283 0.000 1.026 195 R CA -0.466 55.153 56.100 -0.802 0.000 0.909 195 R CB 0.449 30.385 30.300 -0.608 0.000 1.153 195 R HN 0.550 nan 8.270 nan 0.000 0.515 196 I N 4.038 124.458 120.570 -0.250 0.000 2.389 196 I HA 0.020 4.190 4.170 -0.000 0.000 0.295 196 I C 0.512 176.605 176.117 -0.041 0.000 1.117 196 I CA -0.306 60.925 61.300 -0.116 0.000 1.317 196 I CB -0.047 37.888 38.000 -0.109 0.000 1.431 196 I HN 0.570 nan 8.210 nan 0.000 0.521 197 D N 5.782 126.202 120.400 0.034 0.000 2.424 197 D HA 0.330 4.970 4.640 -0.000 0.000 0.244 197 D C 0.914 177.281 176.300 0.112 0.000 1.134 197 D CA 0.389 54.456 54.000 0.111 0.000 0.881 197 D CB 0.765 41.705 40.800 0.233 0.000 1.191 197 D HN 0.765 nan 8.370 nan 0.000 0.445 198 A N 2.871 125.761 122.820 0.116 0.000 2.822 198 A HA -0.236 4.084 4.320 -0.000 0.000 0.287 198 A C 1.850 179.452 177.584 0.031 0.000 1.479 198 A CA 1.149 53.281 52.037 0.158 0.000 0.779 198 A CB -2.194 17.009 19.000 0.339 0.000 1.022 198 A HN 0.475 nan 8.150 nan 0.000 0.532 199 S N -0.582 115.063 115.700 -0.092 0.000 2.402 199 S HA -0.211 4.259 4.470 -0.000 0.000 0.233 199 S C 1.803 176.224 174.600 -0.298 0.000 1.030 199 S CA 1.648 59.727 58.200 -0.200 0.000 1.003 199 S CB -0.172 62.806 63.200 -0.369 0.000 0.813 199 S HN 0.848 nan 8.310 nan 0.000 0.477 200 K N 0.680 120.837 120.400 -0.405 0.000 2.147 200 K HA -0.138 4.182 4.320 -0.000 0.000 0.205 200 K C 1.006 177.343 176.600 -0.437 0.000 1.049 200 K CA 1.145 57.177 56.287 -0.424 0.000 0.936 200 K CB -0.112 32.082 32.500 -0.510 0.000 0.722 200 K HN 0.469 nan 8.250 nan 0.000 0.446 201 H N -0.446 118.578 119.070 -0.077 0.000 2.555 201 H HA 0.178 4.734 4.556 -0.000 0.000 0.283 201 H C -0.085 175.157 175.328 -0.144 0.000 1.037 201 H CA 0.398 56.373 56.048 -0.123 0.000 1.169 201 H CB -0.114 29.609 29.762 -0.065 0.000 1.375 201 H HN 0.169 nan 8.280 nan 0.000 0.582 202 M N -0.236 119.322 119.600 -0.069 0.000 2.393 202 M HA 0.178 4.658 4.480 -0.000 0.000 0.299 202 M C -1.102 175.176 176.300 -0.036 0.000 1.103 202 M CA -0.790 54.491 55.300 -0.031 0.000 0.910 202 M CB 2.480 35.128 32.600 0.081 0.000 1.659 202 M HN 0.023 nan 8.290 nan 0.000 0.445 203 W N 3.141 124.488 121.300 0.078 0.000 2.251 203 W HA 0.190 4.850 4.660 -0.000 0.000 0.327 203 W C -1.802 174.706 176.519 -0.019 0.000 1.361 203 W CA -0.846 56.506 57.345 0.011 0.000 1.234 203 W CB -0.217 29.237 29.460 -0.011 0.000 1.212 203 W HN 0.499 nan 8.180 nan 0.000 0.557 204 P HA -0.259 nan 4.420 nan 0.000 0.216 204 P C 1.807 179.130 177.300 0.038 0.000 1.157 204 P CA 2.805 65.832 63.100 -0.123 0.000 0.880 204 P CB 0.021 31.490 31.700 -0.385 0.000 0.791 205 G N -0.444 108.399 108.800 0.072 0.000 2.469 205 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.219 205 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.219 205 G C 1.336 176.278 174.900 0.069 0.000 1.150 205 G CA 1.154 46.286 45.100 0.053 0.000 0.763 205 G HN 0.196 nan 8.290 nan 0.000 0.561 206 D N 0.541 121.021 120.400 0.133 0.000 2.097 206 D HA -0.064 4.576 4.640 -0.000 0.000 0.195 206 D C 2.605 178.948 176.300 0.071 0.000 0.989 206 D CA 0.506 54.573 54.000 0.112 0.000 0.827 206 D CB -0.209 40.701 40.800 0.183 0.000 0.966 206 D HN 0.357 nan 8.370 nan 0.000 0.456 207 I N 0.902 121.526 120.570 0.091 0.000 2.208 207 I HA -0.271 3.899 4.170 -0.000 0.000 0.245 207 I C 2.500 178.632 176.117 0.024 0.000 1.097 207 I CA 1.074 62.409 61.300 0.058 0.000 1.363 207 I CB -0.178 37.890 38.000 0.114 0.000 1.051 207 I HN -0.010 nan 8.210 nan 0.000 0.413 208 K N 1.407 121.828 120.400 0.035 0.000 2.002 208 K HA -0.211 4.109 4.320 -0.000 0.000 0.209 208 K C 2.270 178.870 176.600 0.000 0.000 1.048 208 K CA 1.608 57.905 56.287 0.017 0.000 0.930 208 K CB -0.201 32.313 32.500 0.023 0.000 0.714 208 K HN 0.254 nan 8.250 nan 0.000 0.438 209 A N 1.684 124.508 122.820 0.006 0.000 1.903 209 A HA -0.221 4.099 4.320 -0.000 0.000 0.219 209 A C 2.134 179.705 177.584 -0.021 0.000 1.191 209 A CA 2.018 54.053 52.037 -0.003 0.000 0.638 209 A CB -0.755 18.248 19.000 0.005 0.000 0.823 209 A HN 0.425 nan 8.150 nan 0.000 0.451 210 I N -0.698 119.854 120.570 -0.031 0.000 2.202 210 I HA -0.221 3.949 4.170 -0.000 0.000 0.242 210 I C 2.433 178.495 176.117 -0.093 0.000 1.091 210 I CA 1.008 62.267 61.300 -0.068 0.000 1.368 210 I CB -0.432 37.518 38.000 -0.083 0.000 1.058 210 I HN 0.310 nan 8.210 nan 0.000 0.410 211 L N 0.472 121.647 121.223 -0.080 0.000 2.012 211 L HA -0.262 4.078 4.340 -0.000 0.000 0.210 211 L C 2.187 179.023 176.870 -0.056 0.000 1.073 211 L CA 1.402 56.192 54.840 -0.083 0.000 0.748 211 L CB -0.829 41.195 42.059 -0.059 0.000 0.891 211 L HN 0.275 nan 8.230 nan 0.000 0.431 212 D N 0.390 120.770 120.400 -0.034 0.000 2.228 212 D HA -0.189 4.451 4.640 -0.000 0.000 0.203 212 D C 1.871 178.161 176.300 -0.017 0.000 0.988 212 D CA 1.243 55.233 54.000 -0.017 0.000 0.864 212 D CB -0.118 40.678 40.800 -0.006 0.000 0.928 212 D HN 0.345 nan 8.370 nan 0.000 0.469 213 K N -0.081 120.296 120.400 -0.039 0.000 2.525 213 K HA 0.098 4.418 4.320 -0.000 0.000 0.192 213 K C 0.594 177.155 176.600 -0.064 0.000 1.029 213 K CA -0.024 56.238 56.287 -0.041 0.000 1.029 213 K CB 0.339 32.802 32.500 -0.062 0.000 0.814 213 K HN 0.143 nan 8.250 nan 0.000 0.503 214 L N 0.934 122.117 121.223 -0.067 0.000 2.395 214 L HA 0.170 4.510 4.340 -0.000 0.000 0.269 214 L C 0.859 177.748 176.870 0.031 0.000 1.133 214 L CA -0.468 54.318 54.840 -0.090 0.000 0.812 214 L CB 0.612 42.629 42.059 -0.070 0.000 1.125 214 L HN 0.204 nan 8.230 nan 0.000 0.452 215 H N 0.761 119.829 119.070 -0.003 0.000 2.174 215 H HA 0.173 4.729 4.556 -0.000 0.000 0.336 215 H C -0.290 175.040 175.328 0.003 0.000 1.810 215 H CA -0.616 55.435 56.048 0.005 0.000 1.416 215 H CB 0.534 30.305 29.762 0.015 0.000 1.688 215 H HN 0.576 nan 8.280 nan 0.000 0.576 216 N N -0.233 118.564 118.700 0.161 0.000 2.472 216 N HA 0.227 4.967 4.740 -0.000 0.000 0.289 216 N C -0.661 174.882 175.510 0.056 0.000 1.156 216 N CA -0.693 52.399 53.050 0.071 0.000 0.940 216 N CB 1.362 39.881 38.487 0.053 0.000 1.200 216 N HN 0.186 nan 8.380 nan 0.000 0.511 217 L N 1.327 122.533 121.223 -0.028 0.000 2.516 217 L HA -0.042 4.298 4.340 -0.000 0.000 0.288 217 L C 1.011 177.962 176.870 0.135 0.000 1.246 217 L CA 0.004 54.788 54.840 -0.093 0.000 0.844 217 L CB -0.017 41.752 42.059 -0.484 0.000 1.106 217 L HN 0.567 nan 8.230 nan 0.000 0.509 218 N N 1.160 120.019 118.700 0.265 0.000 2.414 218 N HA -0.087 4.653 4.740 -0.000 0.000 0.268 218 N C 1.074 176.771 175.510 0.311 0.000 1.286 218 N CA 0.420 53.665 53.050 0.325 0.000 0.896 218 N CB 0.894 39.671 38.487 0.483 0.000 1.093 218 N HN 0.642 nan 8.380 nan 0.000 0.480 219 S N 2.744 118.530 115.700 0.143 0.000 2.520 219 S HA -0.104 4.366 4.470 -0.000 0.000 0.249 219 S C 1.104 175.674 174.600 -0.051 0.000 0.983 219 S CA 0.590 58.829 58.200 0.065 0.000 0.958 219 S CB -0.064 63.144 63.200 0.013 0.000 0.750 219 S HN 0.589 nan 8.310 nan 0.000 0.527 220 N N -0.381 118.226 118.700 -0.154 0.000 2.467 220 N HA 0.066 4.805 4.740 -0.000 0.000 0.184 220 N C 0.305 175.298 175.510 -0.862 0.000 1.106 220 N CA 0.680 53.369 53.050 -0.601 0.000 0.892 220 N CB 0.028 37.887 38.487 -1.047 0.000 0.969 220 N HN 0.658 nan 8.380 nan 0.000 0.454 221 W N -0.937 120.295 121.300 -0.113 0.000 2.120 221 W HA 0.254 4.914 4.660 -0.000 0.000 0.227 221 W C -0.353 175.790 176.519 -0.626 0.000 0.910 221 W CA -0.202 56.912 57.345 -0.385 0.000 1.111 221 W CB 0.208 29.334 29.460 -0.557 0.000 0.887 221 W HN -0.194 nan 8.180 nan 0.000 0.598 222 F N 0.921 120.967 119.950 0.160 0.000 2.575 222 F HA 0.553 5.080 4.527 -0.000 0.000 0.330 222 F C -1.857 173.970 175.800 0.045 0.000 1.056 222 F CA -2.279 55.778 58.000 0.094 0.000 0.964 222 F CB 0.012 39.065 39.000 0.088 0.000 1.258 222 F HN -0.473 nan 8.300 nan 0.000 0.484 223 P HA 0.108 nan 4.420 nan 0.000 0.277 223 P C -1.077 176.291 177.300 0.113 0.000 1.276 223 P CA -0.455 62.714 63.100 0.115 0.000 0.788 223 P CB 0.476 32.233 31.700 0.096 0.000 1.114 224 E N -0.124 120.117 120.200 0.068 0.000 2.344 224 E HA 0.384 4.734 4.350 -0.000 0.000 0.270 224 E C 0.997 177.632 176.600 0.057 0.000 1.021 224 E CA 1.213 57.646 56.400 0.055 0.000 0.887 224 E CB -0.610 29.110 29.700 0.033 0.000 0.997 224 E HN 0.647 nan 8.360 nan 0.000 0.429 225 G N 3.031 111.863 108.800 0.053 0.000 2.136 225 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.242 225 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.242 225 G C 0.097 175.025 174.900 0.047 0.000 0.989 225 G CA 0.257 45.384 45.100 0.045 0.000 0.682 225 G HN 0.510 nan 8.290 nan 0.000 0.522 226 S N 1.087 116.823 115.700 0.060 0.000 2.516 226 S HA 0.391 4.861 4.470 -0.000 0.000 0.282 226 S C 0.532 175.120 174.600 -0.021 0.000 1.286 226 S CA 0.106 58.331 58.200 0.041 0.000 1.066 226 S CB 1.038 64.286 63.200 0.080 0.000 0.884 226 S HN 0.376 nan 8.310 nan 0.000 0.491 227 K N 3.440 123.828 120.400 -0.020 0.000 2.159 227 K HA 0.340 4.660 4.320 -0.000 0.000 0.266 227 K C -2.779 173.792 176.600 -0.050 0.000 0.975 227 K CA -2.366 53.905 56.287 -0.027 0.000 0.865 227 K CB 1.183 33.678 32.500 -0.008 0.000 1.087 227 K HN 0.254 nan 8.250 nan 0.000 0.446 228 P HA -0.095 nan 4.420 nan 0.000 0.261 228 P C -0.453 176.880 177.300 0.055 0.000 1.183 228 P CA 0.031 63.098 63.100 -0.056 0.000 0.761 228 P CB 0.085 31.821 31.700 0.059 0.000 0.785 229 F N 5.770 125.665 119.950 -0.091 0.000 2.538 229 F HA 0.180 4.707 4.527 -0.000 0.000 0.371 229 F C -0.176 175.612 175.800 -0.020 0.000 1.087 229 F CA -0.267 57.700 58.000 -0.054 0.000 1.250 229 F CB -0.057 38.932 39.000 -0.019 0.000 1.110 229 F HN 0.153 nan 8.300 nan 0.000 0.570 230 I N 8.954 129.298 120.570 -0.376 0.000 2.439 230 I HA 0.160 4.330 4.170 -0.000 0.000 0.283 230 I C -1.238 174.600 176.117 -0.464 0.000 1.023 230 I CA -0.703 60.365 61.300 -0.388 0.000 1.100 230 I CB 0.907 38.809 38.000 -0.162 0.000 1.238 230 I HN 0.559 nan 8.210 nan 0.000 0.445 231 Y N 3.811 123.751 120.300 -0.599 0.000 2.331 231 Y HA 0.720 5.270 4.550 -0.000 0.000 0.334 231 Y C -0.574 175.215 175.900 -0.186 0.000 0.960 231 Y CA -1.123 56.735 58.100 -0.403 0.000 1.130 231 Y CB 1.036 39.194 38.460 -0.504 0.000 1.164 231 Y HN 0.492 nan 8.280 nan 0.000 0.458 232 Q N 2.808 122.610 119.800 0.003 0.000 2.290 232 Q HA 0.212 4.552 4.340 -0.000 0.000 0.259 232 Q C -0.688 175.317 176.000 0.009 0.000 0.941 232 Q CA -0.851 54.925 55.803 -0.046 0.000 0.912 232 Q CB 2.293 30.989 28.738 -0.070 0.000 1.244 232 Q HN 0.739 nan 8.270 nan 0.000 0.441 233 E N 3.167 123.375 120.200 0.014 0.000 2.081 233 E HA 0.143 4.493 4.350 -0.000 0.000 0.270 233 E C -1.317 175.286 176.600 0.006 0.000 1.180 233 E CA -0.094 56.373 56.400 0.111 0.000 0.926 233 E CB 0.406 30.180 29.700 0.124 0.000 1.035 233 E HN 0.344 nan 8.360 nan 0.000 0.418 234 V N 7.187 127.141 119.914 0.067 0.000 2.482 234 V HA 0.282 4.402 4.120 -0.000 0.000 0.295 234 V C -0.020 176.123 176.094 0.083 0.000 1.026 234 V CA -0.665 61.589 62.300 -0.076 0.000 0.856 234 V CB 1.636 33.306 31.823 -0.255 0.000 1.001 234 V HN 0.577 nan 8.190 nan 0.000 0.424 235 I N 3.931 124.444 120.570 -0.095 0.000 2.269 235 I HA 0.347 4.517 4.170 -0.000 0.000 0.293 235 I C -0.440 175.633 176.117 -0.074 0.000 1.106 235 I CA 0.165 61.344 61.300 -0.200 0.000 1.248 235 I CB 0.554 38.240 38.000 -0.524 0.000 1.444 235 I HN 0.598 nan 8.210 nan 0.000 0.497 236 D N 7.435 127.866 120.400 0.051 0.000 2.440 236 D HA 0.332 4.972 4.640 -0.000 0.000 0.252 236 D C -0.215 176.129 176.300 0.073 0.000 1.180 236 D CA -0.333 53.694 54.000 0.045 0.000 0.894 236 D CB 0.950 41.784 40.800 0.057 0.000 1.111 236 D HN 0.388 nan 8.370 nan 0.000 0.544 237 L N 3.690 124.941 121.223 0.046 0.000 3.094 237 L HA 0.535 4.875 4.340 -0.000 0.000 0.254 237 L C 1.061 177.960 176.870 0.047 0.000 1.298 237 L CA -0.402 54.476 54.840 0.063 0.000 1.050 237 L CB -0.242 41.852 42.059 0.058 0.000 1.420 237 L HN 0.674 nan 8.230 nan 0.000 0.548 238 G N -0.035 108.791 108.800 0.043 0.000 2.855 238 G HA2 0.002 3.962 3.960 -0.000 0.000 0.352 238 G HA3 0.002 3.962 3.960 -0.000 0.000 0.352 238 G C 0.685 175.597 174.900 0.020 0.000 1.415 238 G CA -0.194 44.926 45.100 0.033 0.000 0.871 238 G HN 0.741 nan 8.290 nan 0.000 0.543 239 G N -1.387 107.424 108.800 0.018 0.000 2.179 239 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.260 239 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.260 239 G C 0.218 175.130 174.900 0.021 0.000 0.977 239 G CA 1.779 46.888 45.100 0.014 0.000 0.641 239 G HN 1.378 nan 8.290 nan 0.000 0.533 240 E N -0.061 120.155 120.200 0.026 0.000 2.312 240 E HA 0.435 4.785 4.350 -0.000 0.000 0.267 240 E C -1.491 175.129 176.600 0.034 0.000 0.894 240 E CA -1.601 54.822 56.400 0.039 0.000 0.773 240 E CB 2.275 32.005 29.700 0.050 0.000 1.241 240 E HN 0.062 nan 8.360 nan 0.000 0.432 241 P HA -0.042 nan 4.420 nan 0.000 0.221 241 P C 0.297 177.612 177.300 0.024 0.000 1.150 241 P CA 0.999 64.116 63.100 0.028 0.000 0.800 241 P CB 0.483 32.201 31.700 0.029 0.000 0.787 242 I N 0.693 121.279 120.570 0.027 0.000 2.395 242 I HA 0.150 4.320 4.170 -0.000 0.000 0.289 242 I C 0.548 176.692 176.117 0.044 0.000 1.023 242 I CA -0.400 60.920 61.300 0.033 0.000 1.350 242 I CB 0.790 38.810 38.000 0.032 0.000 1.409 242 I HN -0.197 nan 8.210 nan 0.000 0.507 243 K N 3.986 124.410 120.400 0.042 0.000 2.316 243 K HA 0.401 4.721 4.320 -0.000 0.000 0.251 243 K C 0.617 177.235 176.600 0.029 0.000 0.934 243 K CA -0.686 55.615 56.287 0.023 0.000 0.802 243 K CB 1.992 34.484 32.500 -0.013 0.000 1.171 243 K HN 0.429 nan 8.250 nan 0.000 0.426 244 S N 0.899 116.610 115.700 0.017 0.000 2.381 244 S HA -0.264 4.206 4.470 -0.000 0.000 0.230 244 S C 1.967 176.382 174.600 -0.309 0.000 1.052 244 S CA 2.313 60.513 58.200 0.001 0.000 1.068 244 S CB -0.418 62.834 63.200 0.086 0.000 0.918 244 S HN 0.849 nan 8.310 nan 0.000 0.448 245 S N 2.331 117.642 115.700 -0.648 0.000 2.400 245 S HA -0.258 4.212 4.470 -0.000 0.000 0.234 245 S C 1.220 175.350 174.600 -0.785 0.000 1.049 245 S CA 1.636 59.004 58.200 -1.388 0.000 1.039 245 S CB -0.913 61.966 63.200 -0.536 0.000 0.856 245 S HN 0.412 nan 8.310 nan 0.000 0.465 246 D N 0.598 120.796 120.400 -0.336 0.000 2.357 246 D HA -0.092 4.547 4.640 -0.000 0.000 0.216 246 D C 0.684 176.717 176.300 -0.445 0.000 0.973 246 D CA 1.079 54.893 54.000 -0.310 0.000 0.912 246 D CB -0.320 40.303 40.800 -0.295 0.000 0.900 246 D HN 0.712 nan 8.370 nan 0.000 0.501 247 Y N -1.716 118.471 120.300 -0.188 0.000 2.500 247 Y HA 0.158 4.708 4.550 -0.000 0.000 0.246 247 Y C 1.272 177.275 175.900 0.171 0.000 1.146 247 Y CA -0.543 57.552 58.100 -0.007 0.000 1.230 247 Y CB 0.006 38.476 38.460 0.016 0.000 1.214 247 Y HN -0.179 nan 8.280 nan 0.000 0.526 248 F N 0.061 120.139 119.950 0.213 0.000 2.307 248 F HA -0.086 4.441 4.527 -0.000 0.000 0.301 248 F C 2.252 178.207 175.800 0.259 0.000 1.076 248 F CA 0.999 59.127 58.000 0.214 0.000 1.383 248 F CB -1.237 37.842 39.000 0.131 0.000 1.055 248 F HN 0.122 nan 8.300 nan 0.000 0.526 249 G N -0.665 108.345 108.800 0.350 0.000 2.534 249 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.217 249 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.217 249 G C 1.619 176.653 174.900 0.223 0.000 1.128 249 G CA 0.443 45.705 45.100 0.271 0.000 0.784 249 G HN 0.270 nan 8.290 nan 0.000 0.542 250 N N 0.221 119.045 118.700 0.206 0.000 2.415 250 N HA 0.224 4.964 4.740 -0.000 0.000 0.174 250 N C 1.131 176.626 175.510 -0.025 0.000 1.048 250 N CA 1.056 54.159 53.050 0.088 0.000 0.895 250 N CB 1.140 39.696 38.487 0.115 0.000 1.036 250 N HN 0.425 nan 8.380 nan 0.000 0.449 251 G N -0.141 108.729 108.800 0.117 0.000 2.368 251 G HA2 0.142 4.102 3.960 -0.000 0.000 0.269 251 G HA3 0.142 4.102 3.960 -0.000 0.000 0.269 251 G C -1.259 173.839 174.900 0.331 0.000 1.291 251 G CA -0.892 44.214 45.100 0.011 0.000 0.903 251 G HN -0.013 nan 8.290 nan 0.000 0.483 252 R N -1.277 119.359 120.500 0.227 0.000 2.726 252 R HA 0.594 4.934 4.340 -0.000 0.000 0.272 252 R C -0.443 175.986 176.300 0.215 0.000 1.097 252 R CA -0.206 56.028 56.100 0.222 0.000 1.198 252 R CB 0.909 31.298 30.300 0.148 0.000 1.114 252 R HN 0.341 nan 8.270 nan 0.000 0.550 253 V N 0.172 120.228 119.914 0.238 0.000 2.876 253 V HA 0.198 4.318 4.120 -0.000 0.000 0.312 253 V C -0.249 175.962 176.094 0.196 0.000 1.085 253 V CA -1.032 61.412 62.300 0.239 0.000 0.945 253 V CB 2.187 34.223 31.823 0.354 0.000 1.017 253 V HN 0.947 nan 8.190 nan 0.000 0.428 254 T N 0.155 114.835 114.554 0.209 0.000 2.751 254 T HA 0.288 4.638 4.350 -0.000 0.000 0.290 254 T C -0.148 174.640 174.700 0.147 0.000 0.919 254 T CA -0.288 61.941 62.100 0.214 0.000 1.136 254 T CB 0.562 69.609 68.868 0.297 0.000 0.875 254 T HN 0.672 nan 8.240 nan 0.000 0.532 255 E N 2.759 122.946 120.200 -0.022 0.000 1.941 255 E HA 0.269 4.619 4.350 -0.000 0.000 0.275 255 E C -0.410 175.989 176.600 -0.335 0.000 1.113 255 E CA -1.004 55.340 56.400 -0.093 0.000 0.878 255 E CB -0.399 29.233 29.700 -0.113 0.000 1.070 255 E HN 0.657 nan 8.360 nan 0.000 0.399 256 F N 3.053 122.950 119.950 -0.089 0.000 2.661 256 F HA 0.065 4.592 4.527 -0.000 0.000 0.298 256 F C 1.655 177.354 175.800 -0.169 0.000 1.137 256 F CA 0.519 58.450 58.000 -0.114 0.000 1.454 256 F CB 0.204 39.224 39.000 0.034 0.000 1.103 256 F HN 0.421 nan 8.300 nan 0.000 0.577 257 K N -0.800 119.542 120.400 -0.097 0.000 2.097 257 K HA -0.214 4.106 4.320 -0.000 0.000 0.205 257 K C 1.767 178.132 176.600 -0.393 0.000 1.050 257 K CA 1.329 57.523 56.287 -0.155 0.000 0.938 257 K CB -0.550 31.880 32.500 -0.116 0.000 0.718 257 K HN 0.231 nan 8.250 nan 0.000 0.442 258 Y N 1.813 121.563 120.300 -0.917 0.000 1.993 258 Y HA -0.302 4.248 4.550 -0.000 0.000 0.267 258 Y C 2.530 178.257 175.900 -0.288 0.000 1.155 258 Y CA 2.108 59.697 58.100 -0.851 0.000 1.105 258 Y CB -0.943 37.057 38.460 -0.767 0.000 0.960 258 Y HN 0.089 nan 8.280 nan 0.000 0.486 259 G N -0.636 108.124 108.800 -0.066 0.000 2.440 259 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.218 259 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.218 259 G C 1.753 176.656 174.900 0.005 0.000 1.154 259 G CA 1.296 46.381 45.100 -0.024 0.000 0.767 259 G HN 0.697 nan 8.290 nan 0.000 0.552 260 A N 1.139 123.972 122.820 0.021 0.000 1.829 260 A HA -0.069 4.251 4.320 -0.000 0.000 0.216 260 A C 2.414 180.038 177.584 0.066 0.000 1.207 260 A CA 2.217 54.295 52.037 0.068 0.000 0.622 260 A CB -0.530 18.531 19.000 0.102 0.000 0.846 260 A HN 0.215 nan 8.150 nan 0.000 0.447 261 K N -0.720 119.756 120.400 0.127 0.000 2.015 261 K HA -0.218 4.101 4.320 -0.000 0.000 0.216 261 K C 1.935 178.570 176.600 0.057 0.000 1.052 261 K CA 1.639 58.053 56.287 0.212 0.000 0.937 261 K CB -1.220 31.554 32.500 0.457 0.000 0.719 261 K HN 0.419 nan 8.250 nan 0.000 0.446 262 L N 0.974 122.190 121.223 -0.012 0.000 2.021 262 L HA -0.165 4.175 4.340 -0.000 0.000 0.215 262 L C 2.261 178.930 176.870 -0.335 0.000 1.074 262 L CA 2.517 57.123 54.840 -0.390 0.000 0.760 262 L CB -1.241 40.569 42.059 -0.416 0.000 0.889 262 L HN 0.319 nan 8.230 nan 0.000 0.433 263 G N -2.277 106.404 108.800 -0.199 0.000 2.440 263 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.218 263 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.218 263 G C 1.428 176.148 174.900 -0.301 0.000 1.154 263 G CA 1.244 46.209 45.100 -0.226 0.000 0.767 263 G HN 0.465 nan 8.290 nan 0.000 0.552 264 T N 0.795 115.241 114.554 -0.180 0.000 2.759 264 T HA -0.111 4.239 4.350 -0.000 0.000 0.269 264 T C 2.485 177.096 174.700 -0.149 0.000 1.042 264 T CA 1.251 63.279 62.100 -0.119 0.000 1.140 264 T CB -0.211 68.705 68.868 0.079 0.000 0.864 264 T HN 0.085 nan 8.240 nan 0.000 0.455 265 V N 1.440 121.243 119.914 -0.185 0.000 2.379 265 V HA -0.071 4.048 4.120 -0.000 0.000 0.245 265 V C 2.436 178.332 176.094 -0.329 0.000 1.044 265 V CA 1.003 63.160 62.300 -0.238 0.000 1.036 265 V CB -0.462 31.144 31.823 -0.363 0.000 0.664 265 V HN 0.419 nan 8.190 nan 0.000 0.453 266 I N 0.197 120.533 120.570 -0.391 0.000 2.315 266 I HA -0.129 4.041 4.170 -0.000 0.000 0.248 266 I C 2.467 178.387 176.117 -0.329 0.000 1.117 266 I CA 1.464 62.543 61.300 -0.368 0.000 1.404 266 I CB -1.162 36.626 38.000 -0.354 0.000 1.071 266 I HN 0.303 nan 8.210 nan 0.000 0.419 267 R N 1.150 121.386 120.500 -0.441 0.000 2.316 267 R HA -0.034 4.306 4.340 -0.000 0.000 0.202 267 R C 0.273 176.356 176.300 -0.363 0.000 1.029 267 R CA 0.080 55.822 56.100 -0.596 0.000 1.018 267 R CB -0.067 29.404 30.300 -1.382 0.000 0.888 267 R HN 0.269 nan 8.270 nan 0.000 0.471 268 K N -0.526 119.748 120.400 -0.210 0.000 3.096 268 K HA -0.169 4.151 4.320 -0.000 0.000 0.266 268 K C -1.042 175.690 176.600 0.221 0.000 1.043 268 K CA 0.488 56.759 56.287 -0.027 0.000 0.758 268 K CB -1.018 31.463 32.500 -0.031 0.000 1.260 268 K HN 0.148 nan 8.250 nan 0.000 0.481 269 W N 0.873 122.149 121.300 -0.040 0.000 2.436 269 W HA 0.287 4.947 4.660 -0.000 0.000 0.347 269 W C 0.910 177.428 176.519 -0.002 0.000 1.136 269 W CA -0.904 56.429 57.345 -0.020 0.000 1.286 269 W CB -0.061 29.389 29.460 -0.017 0.000 1.253 269 W HN 0.219 nan 8.180 nan 0.000 0.617 270 N N 0.671 119.496 118.700 0.208 0.000 2.705 270 N HA -0.202 4.537 4.740 -0.000 0.000 0.255 270 N C 0.919 176.503 175.510 0.123 0.000 1.008 270 N CA 0.343 53.468 53.050 0.125 0.000 0.742 270 N CB -1.019 37.549 38.487 0.135 0.000 0.906 270 N HN 0.927 nan 8.380 nan 0.000 0.541 271 G N -0.918 107.946 108.800 0.107 0.000 2.230 271 G HA2 -0.401 3.558 3.960 -0.000 0.000 0.270 271 G HA3 -0.401 3.558 3.960 -0.000 0.000 0.270 271 G C 0.243 175.216 174.900 0.122 0.000 0.987 271 G CA 1.016 46.181 45.100 0.108 0.000 0.664 271 G HN 0.587 nan 8.290 nan 0.000 0.539 272 E N 0.687 120.958 120.200 0.119 0.000 2.404 272 E HA 0.445 4.795 4.350 -0.000 0.000 0.261 272 E C 0.807 177.322 176.600 -0.142 0.000 1.074 272 E CA 0.712 57.167 56.400 0.090 0.000 0.917 272 E CB 0.761 30.537 29.700 0.127 0.000 0.965 272 E HN 0.820 nan 8.360 nan 0.000 0.433 273 K N -0.056 120.137 120.400 -0.346 0.000 2.579 273 K HA 0.322 4.642 4.320 -0.000 0.000 0.284 273 K C 0.569 176.939 176.600 -0.382 0.000 0.990 273 K CA -0.757 55.268 56.287 -0.437 0.000 0.880 273 K CB 0.649 32.794 32.500 -0.592 0.000 1.488 273 K HN 0.164 nan 8.250 nan 0.000 0.425 274 M N 0.975 120.380 119.600 -0.325 0.000 2.229 274 M HA -0.131 4.349 4.480 -0.000 0.000 0.264 274 M C 1.807 178.118 176.300 0.018 0.000 1.063 274 M CA 2.052 57.196 55.300 -0.260 0.000 1.114 274 M CB -0.391 32.015 32.600 -0.323 0.000 1.387 274 M HN 0.838 nan 8.290 nan 0.000 0.420 275 S N -0.186 115.517 115.700 0.006 0.000 2.469 275 S HA -0.144 4.326 4.470 -0.000 0.000 0.238 275 S C 1.471 176.375 174.600 0.507 0.000 0.998 275 S CA 0.797 59.178 58.200 0.302 0.000 0.957 275 S CB -0.691 62.589 63.200 0.133 0.000 0.764 275 S HN 0.426 nan 8.310 nan 0.000 0.514 276 Y N 1.326 121.745 120.300 0.198 0.000 2.583 276 Y HA 0.359 4.909 4.550 -0.000 0.000 0.293 276 Y C 1.562 177.648 175.900 0.311 0.000 1.157 276 Y CA -0.908 57.329 58.100 0.228 0.000 1.315 276 Y CB -0.786 37.828 38.460 0.256 0.000 1.021 276 Y HN 0.309 nan 8.280 nan 0.000 0.536 277 L N -0.245 121.122 121.223 0.240 0.000 2.645 277 L HA -0.049 4.291 4.340 -0.000 0.000 0.235 277 L C 1.735 178.318 176.870 -0.478 0.000 1.150 277 L CA 0.211 54.966 54.840 -0.142 0.000 0.911 277 L CB -0.299 41.543 42.059 -0.361 0.000 1.077 277 L HN 0.131 nan 8.230 nan 0.000 0.438 278 K N 1.262 121.261 120.400 -0.668 0.000 2.001 278 K HA -0.197 4.123 4.320 -0.000 0.000 0.223 278 K C 0.937 177.209 176.600 -0.546 0.000 1.055 278 K CA 1.869 57.480 56.287 -1.127 0.000 0.965 278 K CB -0.427 31.718 32.500 -0.592 0.000 0.730 278 K HN 0.398 nan 8.250 nan 0.000 0.449 279 N N 0.853 119.428 118.700 -0.209 0.000 3.052 279 N HA -0.061 4.679 4.740 -0.000 0.000 0.302 279 N C -0.876 174.572 175.510 -0.104 0.000 1.332 279 N CA -0.191 52.777 53.050 -0.137 0.000 1.129 279 N CB -0.442 38.014 38.487 -0.051 0.000 1.436 279 N HN 0.308 nan 8.380 nan 0.000 0.536 280 W N 1.369 122.328 121.300 -0.567 0.000 2.210 280 W HA 0.381 5.041 4.660 -0.000 0.000 0.330 280 W C 0.338 176.454 176.519 -0.672 0.000 1.334 280 W CA 1.345 58.163 57.345 -0.880 0.000 1.227 280 W CB 0.637 29.526 29.460 -0.953 0.000 1.178 280 W HN 0.522 nan 8.180 nan 0.000 0.560 281 G N 4.059 112.175 108.800 -1.141 0.000 2.236 281 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.231 281 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.231 281 G C 0.151 174.662 174.900 -0.648 0.000 1.334 281 G CA -0.090 44.491 45.100 -0.865 0.000 1.137 281 G HN 0.421 nan 8.290 nan 0.000 0.482 282 E N 0.538 120.655 120.200 -0.139 0.000 2.267 282 E HA 0.039 4.389 4.350 -0.000 0.000 0.197 282 E C 2.441 178.934 176.600 -0.179 0.000 0.998 282 E CA 1.654 58.027 56.400 -0.045 0.000 0.830 282 E CB -0.440 29.307 29.700 0.078 0.000 0.751 282 E HN 0.759 nan 8.360 nan 0.000 0.491 283 G N -0.282 108.397 108.800 -0.201 0.000 2.462 283 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.220 283 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.220 283 G C 0.482 175.270 174.900 -0.187 0.000 1.121 283 G CA 0.360 45.373 45.100 -0.145 0.000 0.758 283 G HN 0.270 nan 8.290 nan 0.000 0.559 284 W N 0.281 121.122 121.300 -0.764 0.000 3.325 284 W HA 0.465 5.125 4.660 -0.000 0.000 0.370 284 W C 1.506 177.527 176.519 -0.830 0.000 1.169 284 W CA -0.495 56.320 57.345 -0.883 0.000 1.874 284 W CB -0.112 28.568 29.460 -1.301 0.000 1.076 284 W HN 0.314 nan 8.180 nan 0.000 0.684 285 G N -0.233 108.341 108.800 -0.377 0.000 2.137 285 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.237 285 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.237 285 G C -0.222 174.737 174.900 0.097 0.000 1.002 285 G CA -0.638 44.384 45.100 -0.130 0.000 0.702 285 G HN -0.011 nan 8.290 nan 0.000 0.515 286 F N 1.135 121.029 119.950 -0.093 0.000 2.379 286 F HA 0.659 5.185 4.527 -0.000 0.000 0.332 286 F C 1.444 177.310 175.800 0.111 0.000 1.096 286 F CA -1.949 56.017 58.000 -0.058 0.000 1.105 286 F CB 0.692 39.490 39.000 -0.336 0.000 1.189 286 F HN 0.315 nan 8.300 nan 0.000 0.515 287 M N 1.879 121.717 119.600 0.396 0.000 2.246 287 M HA 0.217 4.697 4.480 -0.000 0.000 0.327 287 M C -2.488 173.965 176.300 0.255 0.000 1.090 287 M CA -1.220 54.291 55.300 0.351 0.000 1.087 287 M CB -0.708 32.148 32.600 0.427 0.000 1.587 287 M HN 0.250 nan 8.290 nan 0.000 0.444 288 P HA -0.112 nan 4.420 nan 0.000 0.259 288 P C 0.506 177.715 177.300 -0.151 0.000 1.155 288 P CA 0.535 63.609 63.100 -0.044 0.000 0.759 288 P CB 0.529 32.111 31.700 -0.196 0.000 0.753 289 S N 3.516 119.116 115.700 -0.166 0.000 2.378 289 S HA -0.233 4.237 4.470 -0.000 0.000 0.229 289 S C 1.124 175.490 174.600 -0.389 0.000 1.052 289 S CA 2.036 59.922 58.200 -0.523 0.000 1.084 289 S CB -0.763 62.245 63.200 -0.321 0.000 0.950 289 S HN 0.602 nan 8.310 nan 0.000 0.440 290 D N -0.547 119.704 120.400 -0.248 0.000 2.400 290 D HA 0.061 4.701 4.640 -0.000 0.000 0.243 290 D C 1.017 177.191 176.300 -0.210 0.000 1.184 290 D CA 0.006 53.892 54.000 -0.189 0.000 0.853 290 D CB -0.022 40.691 40.800 -0.145 0.000 0.944 290 D HN 0.277 nan 8.370 nan 0.000 0.501 291 R N -0.203 120.135 120.500 -0.269 0.000 2.544 291 R HA 0.293 4.633 4.340 -0.000 0.000 0.303 291 R C 0.145 176.377 176.300 -0.114 0.000 0.939 291 R CA -0.184 55.740 56.100 -0.293 0.000 1.102 291 R CB 1.102 30.887 30.300 -0.859 0.000 1.440 291 R HN 0.158 nan 8.270 nan 0.000 0.532 292 A N 1.314 124.056 122.820 -0.129 0.000 2.303 292 A HA 0.591 4.911 4.320 -0.000 0.000 0.317 292 A C -0.604 176.965 177.584 -0.026 0.000 1.149 292 A CA -0.406 51.593 52.037 -0.063 0.000 0.822 292 A CB 0.905 19.815 19.000 -0.151 0.000 1.131 292 A HN 0.158 nan 8.150 nan 0.000 0.493 293 L N 4.398 125.628 121.223 0.011 0.000 2.388 293 L HA 0.539 4.879 4.340 -0.000 0.000 0.267 293 L C -0.544 176.337 176.870 0.018 0.000 0.995 293 L CA -0.589 54.268 54.840 0.028 0.000 0.864 293 L CB 0.993 43.024 42.059 -0.047 0.000 1.216 293 L HN 0.727 nan 8.230 nan 0.000 0.430 294 V N 2.385 122.236 119.914 -0.105 0.000 3.096 294 V HA 0.799 4.919 4.120 -0.000 0.000 0.319 294 V C -0.585 175.445 176.094 -0.106 0.000 1.082 294 V CA -0.372 61.684 62.300 -0.407 0.000 1.022 294 V CB 1.820 33.041 31.823 -1.004 0.000 1.103 294 V HN 0.706 nan 8.190 nan 0.000 0.455 295 F N -1.723 118.027 119.950 -0.332 0.000 2.829 295 F HA 0.691 5.218 4.527 -0.000 0.000 0.319 295 F C -0.085 175.701 175.800 -0.022 0.000 1.153 295 F CA -0.763 57.151 58.000 -0.144 0.000 0.912 295 F CB 0.429 39.363 39.000 -0.109 0.000 1.292 295 F HN 0.271 nan 8.300 nan 0.000 0.447 296 V N 0.134 120.145 119.914 0.162 0.000 2.300 296 V HA 0.039 4.158 4.120 -0.000 0.000 0.241 296 V C 0.156 176.398 176.094 0.245 0.000 1.034 296 V CA 1.989 64.371 62.300 0.136 0.000 1.021 296 V CB -0.338 31.524 31.823 0.065 0.000 0.662 296 V HN 0.905 nan 8.190 nan 0.000 0.458 297 D N 0.199 120.840 120.400 0.402 0.000 2.575 297 D HA 0.267 4.907 4.640 -0.000 0.000 0.236 297 D C -1.008 175.550 176.300 0.430 0.000 1.075 297 D CA -0.600 53.654 54.000 0.423 0.000 0.860 297 D CB 1.813 42.828 40.800 0.358 0.000 1.475 297 D HN 0.331 nan 8.370 nan 0.000 0.474 298 N N -0.507 118.378 118.700 0.309 0.000 2.457 298 N HA 0.052 4.792 4.740 -0.000 0.000 0.290 298 N C 1.406 176.934 175.510 0.030 0.000 1.232 298 N CA -0.422 52.657 53.050 0.048 0.000 0.852 298 N CB 0.845 39.185 38.487 -0.245 0.000 1.313 298 N HN 0.612 nan 8.380 nan 0.000 0.522 299 H N -0.239 118.773 119.070 -0.097 0.000 2.357 299 H HA -0.210 4.346 4.556 -0.000 0.000 0.296 299 H C 0.563 175.676 175.328 -0.357 0.000 1.108 299 H CA 1.922 57.740 56.048 -0.384 0.000 1.273 299 H CB -0.369 28.952 29.762 -0.734 0.000 1.367 299 H HN 0.690 nan 8.280 nan 0.000 0.498 300 D N 1.839 121.694 120.400 -0.907 0.000 2.077 300 D HA -0.165 4.475 4.640 -0.000 0.000 0.197 300 D C 1.917 178.092 176.300 -0.209 0.000 0.983 300 D CA 1.676 55.363 54.000 -0.522 0.000 0.841 300 D CB -0.232 40.359 40.800 -0.349 0.000 0.992 300 D HN 0.577 nan 8.370 nan 0.000 0.450 301 N N 1.064 119.744 118.700 -0.033 0.000 2.443 301 N HA -0.223 4.517 4.740 -0.000 0.000 0.184 301 N C 1.683 177.234 175.510 0.068 0.000 1.037 301 N CA 1.404 54.497 53.050 0.072 0.000 0.896 301 N CB -1.022 37.587 38.487 0.203 0.000 0.959 301 N HN 0.496 nan 8.380 nan 0.000 0.442 302 Q N -0.126 119.699 119.800 0.042 0.000 2.439 302 Q HA -0.030 4.310 4.340 -0.000 0.000 0.211 302 Q C 1.168 177.235 176.000 0.112 0.000 0.978 302 Q CA 0.851 56.704 55.803 0.083 0.000 0.897 302 Q CB -0.227 28.562 28.738 0.086 0.000 0.956 302 Q HN 0.338 nan 8.270 nan 0.000 0.483 303 R N -0.099 120.422 120.500 0.035 0.000 2.356 303 R HA 0.188 4.528 4.340 -0.000 0.000 0.234 303 R C 0.832 177.185 176.300 0.088 0.000 0.929 303 R CA 0.408 56.552 56.100 0.073 0.000 1.084 303 R CB 0.544 30.757 30.300 -0.145 0.000 1.105 303 R HN 0.560 nan 8.270 nan 0.000 0.515 304 G N 0.769 109.602 108.800 0.055 0.000 3.586 304 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.212 304 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.212 304 G C 0.349 175.197 174.900 -0.087 0.000 1.411 304 G CA -0.276 44.797 45.100 -0.046 0.000 0.898 304 G HN 0.426 nan 8.290 nan 0.000 0.575 305 H N 3.157 122.295 119.070 0.112 0.000 2.813 305 H HA 0.490 5.046 4.556 -0.000 0.000 0.312 305 H C 1.387 176.738 175.328 0.039 0.000 1.228 305 H CA 0.679 56.770 56.048 0.072 0.000 1.154 305 H CB -0.417 29.391 29.762 0.078 0.000 1.418 305 H HN 0.651 nan 8.280 nan 0.000 0.525 306 G N -0.453 108.422 108.800 0.125 0.000 2.574 306 G HA2 0.368 4.328 3.960 -0.000 0.000 0.248 306 G HA3 0.368 4.328 3.960 -0.000 0.000 0.248 306 G C 1.143 176.062 174.900 0.032 0.000 1.422 306 G CA 0.084 45.220 45.100 0.061 0.000 1.051 306 G HN 0.359 nan 8.290 nan 0.000 0.560 307 A N -0.582 122.226 122.820 -0.020 0.000 1.841 307 A HA 0.088 4.408 4.320 -0.000 0.000 0.216 307 A C 2.637 180.263 177.584 0.070 0.000 1.199 307 A CA 2.594 54.611 52.037 -0.033 0.000 0.621 307 A CB -1.455 17.480 19.000 -0.107 0.000 0.835 307 A HN 1.216 nan 8.150 nan 0.000 0.445 308 G N -1.377 107.508 108.800 0.141 0.000 2.475 308 G HA2 0.277 4.237 3.960 -0.000 0.000 0.220 308 G HA3 0.277 4.237 3.960 -0.000 0.000 0.220 308 G C 1.293 176.264 174.900 0.119 0.000 1.125 308 G CA 1.350 46.529 45.100 0.132 0.000 0.755 308 G HN 1.909 nan 8.290 nan 0.000 0.565 309 G N -1.144 107.724 108.800 0.113 0.000 2.545 309 G HA2 0.213 4.173 3.960 -0.000 0.000 0.216 309 G HA3 0.213 4.173 3.960 -0.000 0.000 0.216 309 G C 1.042 176.004 174.900 0.103 0.000 1.314 309 G CA 0.852 46.022 45.100 0.116 0.000 0.906 309 G HN 1.232 nan 8.290 nan 0.000 0.563 310 A N -0.333 122.556 122.820 0.116 0.000 2.178 310 A HA 0.242 4.562 4.320 -0.000 0.000 0.218 310 A C 2.632 180.323 177.584 0.179 0.000 1.157 310 A CA 2.928 55.037 52.037 0.121 0.000 0.689 310 A CB -0.799 18.279 19.000 0.129 0.000 0.787 310 A HN 2.240 nan 8.150 nan 0.000 0.465 311 S N -0.447 115.373 115.700 0.199 0.000 2.453 311 S HA 0.047 4.517 4.470 -0.000 0.000 0.231 311 S C 0.756 175.302 174.600 -0.090 0.000 1.005 311 S CA 0.035 58.233 58.200 -0.004 0.000 0.949 311 S CB -0.432 62.832 63.200 0.106 0.000 0.774 311 S HN 0.271 nan 8.310 nan 0.000 0.510 312 I N 2.925 123.505 120.570 0.017 0.000 2.668 312 I HA 0.152 4.322 4.170 -0.000 0.000 0.285 312 I C 0.341 176.477 176.117 0.032 0.000 1.168 312 I CA -0.633 60.694 61.300 0.046 0.000 1.424 312 I CB -0.266 37.800 38.000 0.111 0.000 1.377 312 I HN 0.334 nan 8.210 nan 0.000 0.560 313 L N 7.262 128.522 121.223 0.062 0.000 2.326 313 L HA 0.328 4.668 4.340 -0.000 0.000 0.278 313 L C 0.775 177.807 176.870 0.271 0.000 1.092 313 L CA -0.183 54.735 54.840 0.129 0.000 0.810 313 L CB 1.197 43.343 42.059 0.145 0.000 1.153 313 L HN 0.754 nan 8.230 nan 0.000 0.439 314 T N -1.681 112.913 114.554 0.067 0.000 2.724 314 T HA 0.342 4.692 4.350 -0.000 0.000 0.274 314 T C 0.858 175.012 174.700 -0.911 0.000 0.984 314 T CA -0.613 61.284 62.100 -0.338 0.000 1.024 314 T CB 0.720 69.440 68.868 -0.248 0.000 1.320 314 T HN 0.388 nan 8.240 nan 0.000 0.555 315 F N -1.003 118.379 119.950 -0.948 0.000 2.269 315 F HA 0.186 4.713 4.527 -0.000 0.000 0.301 315 F C 1.755 177.462 175.800 -0.156 0.000 1.082 315 F CA -0.226 57.367 58.000 -0.678 0.000 1.360 315 F CB -1.395 37.293 39.000 -0.521 0.000 1.041 315 F HN 0.550 nan 8.300 nan 0.000 0.512 316 W N 1.691 122.660 121.300 -0.552 0.000 2.325 316 W HA -0.158 4.502 4.660 -0.000 0.000 0.299 316 W C 0.611 177.117 176.519 -0.022 0.000 1.215 316 W CA 1.462 58.685 57.345 -0.203 0.000 1.244 316 W CB -0.476 28.752 29.460 -0.385 0.000 1.140 316 W HN -0.005 nan 8.180 nan 0.000 0.523 317 D N -0.120 120.388 120.400 0.180 0.000 2.638 317 D HA 0.289 4.929 4.640 -0.000 0.000 0.245 317 D C 1.212 177.652 176.300 0.234 0.000 1.176 317 D CA 0.223 54.323 54.000 0.166 0.000 0.996 317 D CB 0.501 41.365 40.800 0.107 0.000 1.012 317 D HN 0.032 nan 8.370 nan 0.000 0.515 318 A N 1.701 124.679 122.820 0.264 0.000 1.892 318 A HA -0.278 4.042 4.320 -0.000 0.000 0.218 318 A C 2.206 179.962 177.584 0.286 0.000 1.188 318 A CA 1.419 53.667 52.037 0.352 0.000 0.631 318 A CB -0.254 18.820 19.000 0.123 0.000 0.822 318 A HN 0.314 nan 8.150 nan 0.000 0.447 319 R N -0.372 120.226 120.500 0.164 0.000 2.103 319 R HA -0.076 4.264 4.340 -0.000 0.000 0.242 319 R C 1.821 178.207 176.300 0.144 0.000 1.142 319 R CA 1.849 58.032 56.100 0.139 0.000 0.960 319 R CB -0.435 29.917 30.300 0.087 0.000 0.858 319 R HN 0.541 nan 8.270 nan 0.000 0.439 320 L N -1.203 120.095 121.223 0.126 0.000 2.375 320 L HA -0.016 4.324 4.340 -0.000 0.000 0.215 320 L C 1.825 178.759 176.870 0.108 0.000 1.108 320 L CA 0.294 55.170 54.840 0.059 0.000 0.830 320 L CB -0.362 41.694 42.059 -0.004 0.000 0.959 320 L HN 0.234 nan 8.230 nan 0.000 0.457 321 Y N 1.592 121.949 120.300 0.095 0.000 2.133 321 Y HA -0.245 4.305 4.550 -0.000 0.000 0.287 321 Y C 2.532 178.525 175.900 0.155 0.000 1.134 321 Y CA 1.558 59.741 58.100 0.138 0.000 1.133 321 Y CB -0.086 38.529 38.460 0.259 0.000 0.987 321 Y HN -0.051 nan 8.280 nan 0.000 0.502 322 K N -0.527 120.064 120.400 0.319 0.000 2.074 322 K HA -0.266 4.054 4.320 -0.000 0.000 0.209 322 K C 2.261 178.827 176.600 -0.056 0.000 1.048 322 K CA 1.996 58.435 56.287 0.253 0.000 0.926 322 K CB -0.291 32.472 32.500 0.439 0.000 0.713 322 K HN 0.400 nan 8.250 nan 0.000 0.444 323 M N 0.053 119.529 119.600 -0.206 0.000 2.077 323 M HA -0.162 4.318 4.480 -0.000 0.000 0.261 323 M C 2.478 178.597 176.300 -0.303 0.000 1.070 323 M CA 1.633 56.613 55.300 -0.534 0.000 1.125 323 M CB -0.408 32.000 32.600 -0.320 0.000 1.339 323 M HN 0.247 nan 8.290 nan 0.000 0.409 324 A N -0.334 122.344 122.820 -0.236 0.000 1.908 324 A HA -0.139 4.181 4.320 -0.000 0.000 0.218 324 A C 2.130 179.642 177.584 -0.119 0.000 1.181 324 A CA 1.822 53.724 52.037 -0.225 0.000 0.627 324 A CB -1.064 17.811 19.000 -0.208 0.000 0.818 324 A HN 0.359 nan 8.150 nan 0.000 0.445 325 V N -0.237 119.568 119.914 -0.182 0.000 2.427 325 V HA -0.164 3.956 4.120 -0.000 0.000 0.248 325 V C 2.779 178.873 176.094 -0.000 0.000 1.051 325 V CA 1.904 64.128 62.300 -0.126 0.000 1.048 325 V CB -1.360 30.319 31.823 -0.241 0.000 0.666 325 V HN 0.627 nan 8.190 nan 0.000 0.456 326 G N -0.937 107.852 108.800 -0.018 0.000 2.404 326 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.215 326 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.215 326 G C 1.576 176.569 174.900 0.156 0.000 1.174 326 G CA 0.956 46.088 45.100 0.053 0.000 0.780 326 G HN 0.475 nan 8.290 nan 0.000 0.537 327 F N 0.879 120.861 119.950 0.052 0.000 2.069 327 F HA -0.076 4.451 4.527 -0.000 0.000 0.298 327 F C 2.693 178.571 175.800 0.131 0.000 1.113 327 F CA 2.241 60.274 58.000 0.055 0.000 1.214 327 F CB -0.135 38.577 39.000 -0.481 0.000 0.978 327 F HN 0.149 nan 8.300 nan 0.000 0.474 328 M N 0.208 120.012 119.600 0.339 0.000 2.082 328 M HA -0.288 4.192 4.480 -0.000 0.000 0.258 328 M C 2.184 178.637 176.300 0.255 0.000 1.071 328 M CA 2.183 57.724 55.300 0.401 0.000 1.103 328 M CB -0.564 32.248 32.600 0.352 0.000 1.307 328 M HN 0.327 nan 8.290 nan 0.000 0.409 329 L N -0.108 121.204 121.223 0.149 0.000 2.079 329 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 329 L C 2.673 179.647 176.870 0.174 0.000 1.081 329 L CA 1.302 56.209 54.840 0.110 0.000 0.752 329 L CB -0.945 41.154 42.059 0.067 0.000 0.896 329 L HN 0.457 nan 8.230 nan 0.000 0.433 330 A N -1.940 120.956 122.820 0.126 0.000 2.014 330 A HA -0.143 4.177 4.320 -0.000 0.000 0.218 330 A C 1.270 179.132 177.584 0.465 0.000 1.163 330 A CA 0.644 52.800 52.037 0.198 0.000 0.652 330 A CB -0.560 18.339 19.000 -0.169 0.000 0.808 330 A HN 0.353 nan 8.150 nan 0.000 0.449 331 H N 0.478 119.688 119.070 0.233 0.000 2.548 331 H HA 0.195 4.751 4.556 -0.000 0.000 0.331 331 H C -1.616 173.841 175.328 0.214 0.000 1.093 331 H CA -1.587 54.559 56.048 0.165 0.000 1.367 331 H CB 1.554 31.262 29.762 -0.091 0.000 1.455 331 H HN 0.086 nan 8.280 nan 0.000 0.519 332 P HA -0.197 nan 4.420 nan 0.000 0.218 332 P C 0.496 177.933 177.300 0.230 0.000 1.148 332 P CA 0.842 64.019 63.100 0.128 0.000 0.822 332 P CB -0.069 31.635 31.700 0.006 0.000 0.784 333 Y N 2.057 122.573 120.300 0.361 0.000 2.805 333 Y HA 0.243 4.793 4.550 -0.000 0.000 0.337 333 Y C 1.415 177.372 175.900 0.095 0.000 1.252 333 Y CA 1.318 59.548 58.100 0.217 0.000 1.515 333 Y CB -0.421 38.169 38.460 0.216 0.000 1.305 333 Y HN 0.337 nan 8.280 nan 0.000 0.600 334 G N 4.308 112.644 108.800 -0.773 0.000 2.914 334 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.254 334 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.254 334 G C -1.158 173.646 174.900 -0.159 0.000 1.449 334 G CA -0.115 44.683 45.100 -0.504 0.000 0.925 334 G HN 1.005 nan 8.290 nan 0.000 0.555 335 F N 1.969 121.800 119.950 -0.198 0.000 2.405 335 F HA 0.620 5.147 4.527 -0.000 0.000 0.355 335 F C 1.195 176.915 175.800 -0.133 0.000 1.121 335 F CA 0.031 57.953 58.000 -0.131 0.000 1.112 335 F CB 1.200 40.151 39.000 -0.080 0.000 1.126 335 F HN 0.860 nan 8.300 nan 0.000 0.481 336 T N 4.260 118.523 114.554 -0.486 0.000 2.913 336 T HA 0.460 4.810 4.350 -0.000 0.000 0.287 336 T C -0.451 174.186 174.700 -0.105 0.000 1.008 336 T CA -0.870 61.091 62.100 -0.231 0.000 1.067 336 T CB 1.495 70.239 68.868 -0.207 0.000 0.996 336 T HN 0.836 nan 8.240 nan 0.000 0.513 337 R N 1.701 122.219 120.500 0.030 0.000 2.538 337 R HA 0.591 4.931 4.340 -0.000 0.000 0.292 337 R C -1.893 174.482 176.300 0.125 0.000 1.008 337 R CA -0.720 55.433 56.100 0.088 0.000 0.896 337 R CB 1.883 32.209 30.300 0.043 0.000 1.187 337 R HN 0.614 nan 8.270 nan 0.000 0.440 338 V N 5.176 125.181 119.914 0.152 0.000 2.483 338 V HA 0.396 4.516 4.120 -0.000 0.000 0.295 338 V C 0.241 176.458 176.094 0.206 0.000 1.035 338 V CA -0.811 61.598 62.300 0.182 0.000 0.896 338 V CB 1.590 33.544 31.823 0.218 0.000 0.986 338 V HN 0.813 nan 8.190 nan 0.000 0.447 339 M N 3.480 123.219 119.600 0.232 0.000 2.288 339 M HA 0.523 5.003 4.480 -0.000 0.000 0.334 339 M C -0.076 176.339 176.300 0.192 0.000 1.150 339 M CA 0.726 56.170 55.300 0.240 0.000 1.118 339 M CB 1.529 34.310 32.600 0.301 0.000 1.501 339 M HN 0.623 nan 8.290 nan 0.000 0.462 340 S N 2.148 117.931 115.700 0.139 0.000 2.673 340 S HA 0.625 5.094 4.470 -0.000 0.000 0.256 340 S C -1.091 173.666 174.600 0.262 0.000 1.141 340 S CA -0.680 57.610 58.200 0.151 0.000 1.109 340 S CB 0.435 63.659 63.200 0.039 0.000 1.101 340 S HN 0.865 nan 8.310 nan 0.000 0.471 341 S N 2.929 118.781 115.700 0.254 0.000 2.647 341 S HA 0.799 5.269 4.470 -0.000 0.000 0.284 341 S C -0.942 173.875 174.600 0.362 0.000 1.134 341 S CA -0.642 57.757 58.200 0.331 0.000 1.027 341 S CB 0.318 63.702 63.200 0.306 0.000 1.180 341 S HN 0.809 nan 8.310 nan 0.000 0.521 342 Y N -1.253 119.210 120.300 0.272 0.000 2.553 342 Y HA 0.728 5.278 4.550 -0.000 0.000 0.347 342 Y C -0.520 175.399 175.900 0.031 0.000 1.019 342 Y CA -1.372 56.737 58.100 0.015 0.000 1.032 342 Y CB 0.793 39.100 38.460 -0.254 0.000 1.284 342 Y HN 0.497 nan 8.280 nan 0.000 0.466 343 R N 1.778 122.296 120.500 0.031 0.000 2.539 343 R HA 0.478 4.818 4.340 -0.000 0.000 0.275 343 R C -1.651 174.857 176.300 0.347 0.000 1.077 343 R CA -0.236 55.858 56.100 -0.010 0.000 1.097 343 R CB 0.727 30.919 30.300 -0.180 0.000 1.018 343 R HN 0.945 nan 8.270 nan 0.000 0.483 344 W N 3.730 125.155 121.300 0.209 0.000 3.213 344 W HA 0.399 5.059 4.660 -0.000 0.000 0.318 344 W C -2.622 174.020 176.519 0.204 0.000 1.248 344 W CA -2.253 55.200 57.345 0.181 0.000 1.187 344 W CB 0.527 30.080 29.460 0.155 0.000 1.403 344 W HN 0.411 nan 8.180 nan 0.000 0.556 345 P HA -0.062 nan 4.420 nan 0.000 0.232 345 P C -0.050 177.291 177.300 0.068 0.000 1.606 345 P CA 0.190 63.351 63.100 0.101 0.000 1.105 345 P CB -0.047 31.713 31.700 0.101 0.000 1.919 346 R N 2.330 122.679 120.500 -0.252 0.000 2.446 346 R HA 0.040 4.380 4.340 -0.000 0.000 0.314 346 R C -1.037 175.139 176.300 -0.206 0.000 1.003 346 R CA 0.027 55.890 56.100 -0.395 0.000 1.018 346 R CB -0.241 29.408 30.300 -1.086 0.000 0.945 346 R HN 0.338 nan 8.270 nan 0.000 0.419 347 Y N 6.130 126.262 120.300 -0.281 0.000 2.402 347 Y HA 0.288 4.838 4.550 -0.000 0.000 0.325 347 Y C -1.355 174.448 175.900 -0.161 0.000 1.009 347 Y CA -1.140 56.861 58.100 -0.166 0.000 1.278 347 Y CB 0.573 39.020 38.460 -0.022 0.000 1.105 347 Y HN 0.472 nan 8.280 nan 0.000 0.476 348 F N 3.714 123.431 119.950 -0.390 0.000 2.429 348 F HA 0.331 4.858 4.527 -0.000 0.000 0.348 348 F C 0.263 175.753 175.800 -0.516 0.000 1.109 348 F CA -0.062 57.731 58.000 -0.344 0.000 1.232 348 F CB 1.139 39.992 39.000 -0.245 0.000 1.157 348 F HN 0.467 nan 8.300 nan 0.000 0.564 349 E N 2.852 123.037 120.200 -0.026 0.000 2.294 349 E HA 0.174 4.524 4.350 -0.000 0.000 0.272 349 E C -0.924 175.700 176.600 0.041 0.000 0.896 349 E CA -0.733 55.627 56.400 -0.067 0.000 0.802 349 E CB 0.581 30.260 29.700 -0.034 0.000 1.267 349 E HN 0.769 nan 8.360 nan 0.000 0.406 350 N N 3.443 122.150 118.700 0.012 0.000 2.684 350 N HA -0.336 4.404 4.740 -0.000 0.000 0.284 350 N C 0.741 176.282 175.510 0.053 0.000 1.067 350 N CA 0.464 53.526 53.050 0.019 0.000 0.791 350 N CB -1.151 37.352 38.487 0.026 0.000 0.934 350 N HN 0.900 nan 8.380 nan 0.000 0.566 351 G N -0.079 108.744 108.800 0.039 0.000 2.383 351 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.229 351 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.229 351 G C 0.015 175.088 174.900 0.288 0.000 1.089 351 G CA 0.819 45.985 45.100 0.109 0.000 0.640 351 G HN 0.808 nan 8.290 nan 0.000 0.510 352 K N 0.606 121.206 120.400 0.334 0.000 2.350 352 K HA 0.508 4.828 4.320 -0.000 0.000 0.241 352 K C -1.567 175.278 176.600 0.409 0.000 0.994 352 K CA -0.729 55.829 56.287 0.452 0.000 0.839 352 K CB 1.505 34.242 32.500 0.396 0.000 1.244 352 K HN 0.009 nan 8.250 nan 0.000 0.443 353 D N 2.423 122.987 120.400 0.274 0.000 2.411 353 D HA 0.059 4.699 4.640 -0.000 0.000 0.225 353 D C 1.035 177.421 176.300 0.142 0.000 1.156 353 D CA -0.292 53.673 54.000 -0.058 0.000 0.874 353 D CB 1.263 41.947 40.800 -0.192 0.000 1.034 353 D HN 0.386 nan 8.370 nan 0.000 0.502 354 V N 1.844 121.864 119.914 0.176 0.000 3.330 354 V HA -0.035 4.085 4.120 -0.000 0.000 0.273 354 V C 0.666 177.006 176.094 0.410 0.000 1.179 354 V CA 0.916 63.410 62.300 0.324 0.000 1.174 354 V CB -0.494 31.544 31.823 0.358 0.000 0.794 354 V HN 0.321 nan 8.190 nan 0.000 0.527 355 N N 0.970 119.793 118.700 0.205 0.000 2.197 355 N HA 0.082 4.822 4.740 -0.000 0.000 0.228 355 N C 0.786 176.107 175.510 -0.315 0.000 1.212 355 N CA 0.726 53.703 53.050 -0.122 0.000 0.883 355 N CB 0.303 38.797 38.487 0.012 0.000 1.107 355 N HN 0.775 nan 8.380 nan 0.000 0.519 356 D N -0.270 120.115 120.400 -0.024 0.000 2.403 356 D HA -0.144 4.496 4.640 -0.000 0.000 0.227 356 D C 1.488 177.865 176.300 0.129 0.000 0.995 356 D CA 0.230 54.136 54.000 -0.156 0.000 0.928 356 D CB -0.523 40.318 40.800 0.069 0.000 0.887 356 D HN 0.522 nan 8.370 nan 0.000 0.529 357 W N 0.217 121.762 121.300 0.408 0.000 2.812 357 W HA 0.283 4.943 4.660 -0.000 0.000 0.263 357 W C -0.166 176.646 176.519 0.488 0.000 1.284 357 W CA -0.626 57.142 57.345 0.704 0.000 1.430 357 W CB -0.664 29.137 29.460 0.569 0.000 1.088 357 W HN -0.296 nan 8.180 nan 0.000 0.623 358 V N 3.285 122.720 119.914 -0.798 0.000 2.790 358 V HA 0.061 4.181 4.120 -0.000 0.000 0.304 358 V C 1.468 177.577 176.094 0.025 0.000 1.142 358 V CA 1.313 63.196 62.300 -0.695 0.000 1.282 358 V CB -0.170 31.265 31.823 -0.646 0.000 0.877 358 V HN 0.212 nan 8.190 nan 0.000 0.504 359 G N 6.625 115.481 108.800 0.093 0.000 2.494 359 G HA2 0.478 4.438 3.960 -0.000 0.000 0.270 359 G HA3 0.478 4.438 3.960 -0.000 0.000 0.270 359 G C -2.392 172.301 174.900 -0.345 0.000 1.423 359 G CA -0.868 44.268 45.100 0.060 0.000 1.055 359 G HN 0.652 nan 8.290 nan 0.000 0.536 360 P HA 0.235 nan 4.420 nan 0.000 0.274 360 P C -2.706 174.092 177.300 -0.836 0.000 1.237 360 P CA -1.146 61.077 63.100 -1.462 0.000 0.793 360 P CB 0.420 31.555 31.700 -0.942 0.000 0.977 361 P HA 0.026 nan 4.420 nan 0.000 0.263 361 P C -0.289 176.805 177.300 -0.344 0.000 1.175 361 P CA 0.842 63.617 63.100 -0.543 0.000 0.761 361 P CB -0.044 31.223 31.700 -0.721 0.000 0.794 362 N N 0.054 118.646 118.700 -0.180 0.000 3.106 362 N HA 0.401 5.141 4.740 -0.000 0.000 0.253 362 N C -1.805 173.682 175.510 -0.038 0.000 1.506 362 N CA -0.859 52.139 53.050 -0.088 0.000 0.876 362 N CB 1.092 39.556 38.487 -0.039 0.000 1.452 362 N HN 0.040 nan 8.380 nan 0.000 0.542 363 D N 0.218 120.615 120.400 -0.006 0.000 2.400 363 D HA 0.295 4.935 4.640 -0.000 0.000 0.272 363 D C -0.758 175.563 176.300 0.034 0.000 1.220 363 D CA -0.165 53.834 54.000 -0.001 0.000 0.897 363 D CB 0.074 40.868 40.800 -0.010 0.000 1.134 363 D HN 0.603 nan 8.370 nan 0.000 0.507 364 N N 0.982 119.714 118.700 0.054 0.000 2.814 364 N HA -0.155 4.585 4.740 -0.000 0.000 0.247 364 N C 0.992 176.703 175.510 0.335 0.000 1.089 364 N CA 1.022 54.145 53.050 0.121 0.000 0.682 364 N CB -1.330 37.199 38.487 0.071 0.000 0.970 364 N HN 0.783 nan 8.380 nan 0.000 0.554 365 G N -2.393 106.674 108.800 0.447 0.000 2.159 365 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.256 365 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.256 365 G C -0.034 174.888 174.900 0.037 0.000 0.977 365 G CA 0.347 45.590 45.100 0.238 0.000 0.652 365 G HN 0.542 nan 8.290 nan 0.000 0.531 366 V N 2.032 121.973 119.914 0.045 0.000 2.347 366 V HA 0.468 4.588 4.120 -0.000 0.000 0.280 366 V C 0.940 177.014 176.094 -0.032 0.000 1.021 366 V CA -0.064 62.230 62.300 -0.010 0.000 0.847 366 V CB 1.429 33.253 31.823 0.001 0.000 0.990 366 V HN 0.318 nan 8.190 nan 0.000 0.444 367 T N 6.159 120.676 114.554 -0.061 0.000 2.871 367 T HA 0.073 4.423 4.350 -0.000 0.000 0.296 367 T C 0.316 175.011 174.700 -0.008 0.000 0.998 367 T CA 0.139 62.206 62.100 -0.054 0.000 1.162 367 T CB -0.018 68.818 68.868 -0.054 0.000 0.947 367 T HN 0.528 nan 8.240 nan 0.000 0.536 368 K N 3.152 123.559 120.400 0.012 0.000 2.382 368 K HA 0.090 4.409 4.320 -0.000 0.000 0.275 368 K C 0.997 177.688 176.600 0.152 0.000 1.009 368 K CA -0.324 55.997 56.287 0.056 0.000 0.970 368 K CB 0.598 33.106 32.500 0.013 0.000 0.934 368 K HN 0.717 nan 8.250 nan 0.000 0.479 369 E N 0.798 121.021 120.200 0.037 0.000 2.408 369 E HA 0.073 4.423 4.350 -0.000 0.000 0.259 369 E C -0.775 175.752 176.600 -0.121 0.000 1.110 369 E CA -0.720 55.634 56.400 -0.076 0.000 0.929 369 E CB 0.633 30.287 29.700 -0.077 0.000 0.971 369 E HN 0.061 nan 8.360 nan 0.000 0.438 370 V N 2.854 122.478 119.914 -0.484 0.000 2.368 370 V HA 0.169 4.289 4.120 -0.000 0.000 0.266 370 V C 0.331 176.229 176.094 -0.327 0.000 1.045 370 V CA -0.276 61.591 62.300 -0.722 0.000 0.899 370 V CB 0.420 31.340 31.823 -1.504 0.000 1.006 370 V HN 0.829 nan 8.190 nan 0.000 0.470 371 T N 4.039 118.507 114.554 -0.144 0.000 2.875 371 T HA 0.679 5.029 4.350 -0.000 0.000 0.284 371 T C -0.464 174.196 174.700 -0.067 0.000 0.995 371 T CA -0.736 61.316 62.100 -0.080 0.000 1.060 371 T CB 1.437 70.287 68.868 -0.031 0.000 0.967 371 T HN 0.219 nan 8.240 nan 0.000 0.476 372 I N 3.201 123.739 120.570 -0.053 0.000 2.359 372 I HA 0.383 4.553 4.170 -0.000 0.000 0.294 372 I C 0.129 176.231 176.117 -0.025 0.000 0.987 372 I CA -0.958 60.316 61.300 -0.043 0.000 1.225 372 I CB 1.212 39.188 38.000 -0.040 0.000 1.366 372 I HN 0.694 nan 8.210 nan 0.000 0.466 373 N N 7.524 126.211 118.700 -0.021 0.000 2.489 373 N HA 0.342 5.082 4.740 -0.000 0.000 0.284 373 N C -1.779 173.727 175.510 -0.007 0.000 1.158 373 N CA -1.643 51.400 53.050 -0.011 0.000 0.965 373 N CB 1.067 39.550 38.487 -0.007 0.000 1.195 373 N HN 0.229 nan 8.380 nan 0.000 0.506 374 P HA -0.138 nan 4.420 nan 0.000 0.219 374 P C 0.216 177.520 177.300 0.007 0.000 1.144 374 P CA 1.310 64.413 63.100 0.004 0.000 0.806 374 P CB 0.143 31.845 31.700 0.003 0.000 0.771 375 D N -2.199 118.202 120.400 0.003 0.000 2.395 375 D HA -0.001 4.639 4.640 -0.000 0.000 0.226 375 D C 0.482 176.786 176.300 0.006 0.000 1.146 375 D CA 0.820 54.823 54.000 0.006 0.000 0.830 375 D CB -1.054 39.746 40.800 -0.000 0.000 0.958 375 D HN 0.190 nan 8.370 nan 0.000 0.501 376 T N -2.892 111.660 114.554 -0.003 0.000 6.885 376 T HA -0.270 4.080 4.350 -0.000 0.000 0.286 376 T C 0.490 175.156 174.700 -0.056 0.000 2.119 376 T CA 1.727 63.809 62.100 -0.031 0.000 3.358 376 T CB -2.969 65.896 68.868 -0.005 0.000 1.764 376 T HN 0.557 nan 8.240 nan 0.000 1.202 377 T N -1.406 113.136 114.554 -0.019 0.000 2.862 377 T HA 0.705 5.055 4.350 -0.000 0.000 0.276 377 T C 0.856 175.551 174.700 -0.008 0.000 0.974 377 T CA -0.362 61.741 62.100 0.004 0.000 0.966 377 T CB 1.526 70.410 68.868 0.027 0.000 1.072 377 T HN 0.573 nan 8.240 nan 0.000 0.538 378 c N 0.225 118.839 118.600 0.023 0.000 2.345 378 c HA 0.922 5.492 4.570 -0.000 0.000 0.370 378 c C 1.434 175.553 174.090 0.048 0.000 1.209 378 c CA -0.182 56.163 56.329 0.028 0.000 2.133 378 c CB 0.863 43.415 42.510 0.069 0.000 2.293 378 c HN 1.213 nan 8.230 nan 0.000 0.544 379 G N -0.195 108.639 108.800 0.057 0.000 3.122 379 G HA2 0.370 4.330 3.960 -0.000 0.000 0.180 379 G HA3 0.370 4.330 3.960 -0.000 0.000 0.180 379 G C 0.023 174.977 174.900 0.091 0.000 1.279 379 G CA -0.186 44.944 45.100 0.049 0.000 0.987 379 G HN 0.702 nan 8.290 nan 0.000 0.589 380 N N 0.690 119.410 118.700 0.035 0.000 2.644 380 N HA -0.174 4.566 4.740 -0.000 0.000 0.248 380 N C 0.030 175.432 175.510 -0.179 0.000 1.150 380 N CA 1.566 54.603 53.050 -0.021 0.000 0.727 380 N CB -0.427 38.098 38.487 0.064 0.000 1.091 380 N HN 0.659 nan 8.380 nan 0.000 0.556 381 D N -3.758 116.562 120.400 -0.133 0.000 3.091 381 D HA -0.199 4.441 4.640 -0.000 0.000 0.216 381 D C -0.747 175.401 176.300 -0.254 0.000 1.129 381 D CA 0.765 54.643 54.000 -0.202 0.000 0.913 381 D CB -1.370 39.283 40.800 -0.245 0.000 1.101 381 D HN 0.475 nan 8.370 nan 0.000 0.426 382 W N 0.280 121.539 121.300 -0.068 0.000 2.335 382 W HA 0.393 5.053 4.660 -0.000 0.000 0.307 382 W C 1.673 178.164 176.519 -0.046 0.000 1.117 382 W CA -0.921 56.405 57.345 -0.032 0.000 1.228 382 W CB 0.958 30.338 29.460 -0.132 0.000 1.240 382 W HN -0.274 nan 8.180 nan 0.000 0.468 383 V N 2.312 122.281 119.914 0.092 0.000 2.295 383 V HA -0.287 3.833 4.120 -0.000 0.000 0.246 383 V C 1.215 177.337 176.094 0.048 0.000 1.049 383 V CA 1.010 63.243 62.300 -0.111 0.000 1.024 383 V CB -0.872 30.598 31.823 -0.588 0.000 0.648 383 V HN 0.864 nan 8.190 nan 0.000 0.447 384 c N 0.775 119.458 118.600 0.140 0.000 4.234 384 c HA -0.134 4.436 4.570 -0.000 0.000 0.308 384 c C 1.571 175.499 174.090 -0.270 0.000 1.286 384 c CA 0.388 56.769 56.329 0.087 0.000 2.102 384 c CB -2.506 40.037 42.510 0.055 0.000 1.311 384 c HN 0.705 nan 8.230 nan 0.000 0.689 385 E N 0.418 120.336 120.200 -0.469 0.000 2.153 385 E HA -0.172 4.177 4.350 -0.000 0.000 0.194 385 E C 1.951 178.270 176.600 -0.469 0.000 0.988 385 E CA 1.560 57.241 56.400 -1.198 0.000 0.811 385 E CB -0.176 29.028 29.700 -0.826 0.000 0.746 385 E HN 0.971 nan 8.360 nan 0.000 0.466 386 H N 0.189 119.186 119.070 -0.121 0.000 2.543 386 H HA 0.061 4.617 4.556 -0.000 0.000 0.286 386 H C 1.355 176.871 175.328 0.312 0.000 1.037 386 H CA 0.963 57.104 56.048 0.154 0.000 1.250 386 H CB -0.005 29.788 29.762 0.051 0.000 1.373 386 H HN 0.087 nan 8.280 nan 0.000 0.580 387 R N -0.759 119.566 120.500 -0.291 0.000 2.290 387 R HA 0.053 4.393 4.340 -0.000 0.000 0.197 387 R C -0.052 176.405 176.300 0.263 0.000 0.913 387 R CA -0.423 55.587 56.100 -0.149 0.000 1.040 387 R CB 0.263 30.246 30.300 -0.529 0.000 0.992 387 R HN 0.102 nan 8.270 nan 0.000 0.500 388 W N 1.900 123.250 121.300 0.083 0.000 2.257 388 W HA 0.038 4.698 4.660 -0.000 0.000 0.337 388 W C 1.585 178.200 176.519 0.160 0.000 1.321 388 W CA -0.594 56.821 57.345 0.117 0.000 1.267 388 W CB 0.001 29.554 29.460 0.155 0.000 1.187 388 W HN 0.092 nan 8.180 nan 0.000 0.565 389 R N 1.454 122.142 120.500 0.314 0.000 2.080 389 R HA -0.272 4.068 4.340 -0.000 0.000 0.236 389 R C 1.938 178.377 176.300 0.232 0.000 1.137 389 R CA 2.329 58.566 56.100 0.230 0.000 0.943 389 R CB -0.082 30.294 30.300 0.127 0.000 0.846 389 R HN 0.458 nan 8.270 nan 0.000 0.431 390 Q N 0.210 120.148 119.800 0.229 0.000 2.173 390 Q HA -0.182 4.158 4.340 -0.000 0.000 0.208 390 Q C 1.961 178.143 176.000 0.304 0.000 0.989 390 Q CA 2.067 58.011 55.803 0.235 0.000 0.872 390 Q CB -0.182 28.738 28.738 0.303 0.000 0.909 390 Q HN 0.492 nan 8.270 nan 0.000 0.420 391 I N -0.679 120.109 120.570 0.364 0.000 2.364 391 I HA -0.143 4.027 4.170 -0.000 0.000 0.241 391 I C 2.475 178.746 176.117 0.257 0.000 1.082 391 I CA 0.434 61.915 61.300 0.302 0.000 1.401 391 I CB -0.396 37.792 38.000 0.313 0.000 1.126 391 I HN 0.153 nan 8.210 nan 0.000 0.429 392 R N 1.743 122.442 120.500 0.331 0.000 2.162 392 R HA -0.277 4.063 4.340 -0.000 0.000 0.245 392 R C 1.928 178.329 176.300 0.169 0.000 1.129 392 R CA 2.596 58.889 56.100 0.321 0.000 0.940 392 R CB -0.618 29.930 30.300 0.413 0.000 0.875 392 R HN 0.384 nan 8.270 nan 0.000 0.437 393 N N -0.064 118.746 118.700 0.182 0.000 2.166 393 N HA -0.129 4.611 4.740 -0.000 0.000 0.186 393 N C 1.728 177.354 175.510 0.194 0.000 1.019 393 N CA 1.320 54.473 53.050 0.171 0.000 0.856 393 N CB -0.252 38.332 38.487 0.162 0.000 0.993 393 N HN 0.261 nan 8.380 nan 0.000 0.426 394 M N 0.189 119.890 119.600 0.168 0.000 2.229 394 M HA 0.009 4.489 4.480 -0.000 0.000 0.264 394 M C 1.974 178.344 176.300 0.117 0.000 1.063 394 M CA 0.448 55.843 55.300 0.159 0.000 1.114 394 M CB -0.765 31.894 32.600 0.098 0.000 1.387 394 M HN -0.101 nan 8.290 nan 0.000 0.420 395 V N 1.053 120.974 119.914 0.011 0.000 2.490 395 V HA -0.267 3.853 4.120 -0.000 0.000 0.250 395 V C 2.104 178.095 176.094 -0.172 0.000 1.061 395 V CA 1.986 64.184 62.300 -0.170 0.000 1.064 395 V CB -0.734 30.795 31.823 -0.490 0.000 0.670 395 V HN 0.510 nan 8.190 nan 0.000 0.461 396 N N -0.469 118.182 118.700 -0.082 0.000 2.290 396 N HA -0.134 4.606 4.740 -0.000 0.000 0.179 396 N C 1.672 177.142 175.510 -0.067 0.000 1.016 396 N CA 1.082 54.080 53.050 -0.087 0.000 0.871 396 N CB -0.313 38.153 38.487 -0.035 0.000 0.987 396 N HN 0.396 nan 8.380 nan 0.000 0.431 397 F N 1.752 121.651 119.950 -0.084 0.000 2.120 397 F HA -0.161 4.366 4.527 -0.000 0.000 0.300 397 F C 2.413 178.154 175.800 -0.099 0.000 1.095 397 F CA 1.602 59.567 58.000 -0.057 0.000 1.249 397 F CB -0.394 38.677 39.000 0.118 0.000 0.995 397 F HN 0.007 nan 8.300 nan 0.000 0.480 398 R N 0.513 121.154 120.500 0.235 0.000 2.083 398 R HA -0.220 4.120 4.340 -0.000 0.000 0.237 398 R C 2.144 178.393 176.300 -0.086 0.000 1.137 398 R CA 2.233 58.395 56.100 0.102 0.000 0.951 398 R CB -0.622 29.698 30.300 0.033 0.000 0.851 398 R HN 0.500 nan 8.270 nan 0.000 0.434 399 N N -0.587 118.033 118.700 -0.132 0.000 2.036 399 N HA -0.197 4.543 4.740 -0.000 0.000 0.195 399 N C 1.801 177.195 175.510 -0.194 0.000 1.037 399 N CA 1.698 54.654 53.050 -0.157 0.000 0.855 399 N CB -0.144 38.247 38.487 -0.159 0.000 1.033 399 N HN 0.018 nan 8.380 nan 0.000 0.423 400 V N 1.305 121.042 119.914 -0.295 0.000 2.332 400 V HA -0.171 3.949 4.120 -0.000 0.000 0.248 400 V C 2.053 177.969 176.094 -0.298 0.000 1.055 400 V CA 1.687 63.775 62.300 -0.354 0.000 1.038 400 V CB -0.574 30.859 31.823 -0.650 0.000 0.651 400 V HN 0.358 nan 8.190 nan 0.000 0.450 401 V N -1.903 117.800 119.914 -0.353 0.000 3.577 401 V HA 0.232 4.351 4.120 -0.000 0.000 0.294 401 V C 0.577 176.600 176.094 -0.118 0.000 1.317 401 V CA -0.323 61.826 62.300 -0.253 0.000 1.169 401 V CB -0.716 30.900 31.823 -0.345 0.000 1.011 401 V HN 0.429 nan 8.190 nan 0.000 0.426 402 D N 1.562 121.895 120.400 -0.110 0.000 2.525 402 D HA 0.371 5.011 4.640 -0.000 0.000 0.235 402 D C 1.531 177.807 176.300 -0.041 0.000 1.137 402 D CA 2.179 56.140 54.000 -0.066 0.000 0.868 402 D CB 0.631 41.387 40.800 -0.075 0.000 1.180 402 D HN 0.513 nan 8.370 nan 0.000 0.465 403 G N 2.713 111.502 108.800 -0.018 0.000 2.304 403 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.252 403 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.252 403 G C 0.222 175.128 174.900 0.010 0.000 1.014 403 G CA 0.156 45.253 45.100 -0.005 0.000 0.619 403 G HN 0.576 nan 8.290 nan 0.000 0.525 404 Q N 1.764 121.571 119.800 0.011 0.000 2.314 404 Q HA 0.396 4.736 4.340 -0.000 0.000 0.258 404 Q C -1.955 174.086 176.000 0.068 0.000 0.954 404 Q CA -1.399 54.423 55.803 0.032 0.000 0.890 404 Q CB 1.323 30.073 28.738 0.019 0.000 1.210 404 Q HN 0.440 nan 8.270 nan 0.000 0.410 405 P HA 0.101 nan 4.420 nan 0.000 0.274 405 P C -0.610 176.801 177.300 0.185 0.000 1.237 405 P CA -0.442 62.731 63.100 0.121 0.000 0.793 405 P CB 0.524 32.286 31.700 0.103 0.000 0.977 406 F N 1.601 121.570 119.950 0.032 0.000 2.495 406 F HA 0.423 4.950 4.527 -0.000 0.000 0.365 406 F C 0.438 176.318 175.800 0.133 0.000 1.090 406 F CA 1.228 59.256 58.000 0.047 0.000 1.235 406 F CB 0.526 39.448 39.000 -0.131 0.000 1.119 406 F HN 0.401 nan 8.300 nan 0.000 0.562 407 T N 3.846 118.242 114.554 -0.265 0.000 2.677 407 T HA 0.218 4.568 4.350 -0.000 0.000 0.305 407 T C -0.687 173.999 174.700 -0.023 0.000 1.569 407 T CA -0.376 61.661 62.100 -0.104 0.000 0.984 407 T CB 0.743 69.644 68.868 0.055 0.000 1.629 407 T HN 0.737 nan 8.240 nan 0.000 0.494 408 N N 0.607 119.371 118.700 0.106 0.000 2.716 408 N HA -0.137 4.603 4.740 -0.000 0.000 0.250 408 N C -0.542 175.144 175.510 0.294 0.000 1.033 408 N CA 0.805 53.981 53.050 0.211 0.000 0.727 408 N CB -0.583 38.050 38.487 0.242 0.000 0.950 408 N HN 0.532 nan 8.380 nan 0.000 0.541 409 W N 1.509 122.841 121.300 0.054 0.000 2.216 409 W HA 0.368 5.028 4.660 -0.000 0.000 0.326 409 W C -0.719 175.960 176.519 0.266 0.000 1.319 409 W CA -0.164 57.256 57.345 0.125 0.000 1.213 409 W CB 0.282 29.783 29.460 0.068 0.000 1.171 409 W HN 0.147 nan 8.180 nan 0.000 0.557 410 Y N 5.392 125.278 120.300 -0.690 0.000 2.492 410 Y HA 0.414 4.964 4.550 -0.000 0.000 0.346 410 Y C -1.455 173.997 175.900 -0.746 0.000 0.997 410 Y CA -0.978 56.853 58.100 -0.449 0.000 1.025 410 Y CB 1.421 39.821 38.460 -0.100 0.000 1.263 410 Y HN 0.544 nan 8.280 nan 0.000 0.454 411 D N 1.875 121.430 120.400 -1.407 0.000 2.602 411 D HA 0.236 4.876 4.640 -0.000 0.000 0.236 411 D C -1.254 174.448 176.300 -0.996 0.000 1.209 411 D CA -0.803 52.608 54.000 -0.982 0.000 0.831 411 D CB 1.228 41.934 40.800 -0.157 0.000 1.478 411 D HN 0.452 nan 8.370 nan 0.000 0.438 412 N N 0.786 119.172 118.700 -0.523 0.000 2.328 412 N HA 0.201 4.940 4.740 -0.000 0.000 0.247 412 N C 1.150 176.634 175.510 -0.043 0.000 1.165 412 N CA 0.062 52.996 53.050 -0.194 0.000 0.873 412 N CB 0.340 38.786 38.487 -0.067 0.000 1.125 412 N HN 0.999 nan 8.380 nan 0.000 0.513 413 G N -0.796 107.985 108.800 -0.031 0.000 2.180 413 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.263 413 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.263 413 G C 0.256 175.175 174.900 0.032 0.000 0.989 413 G CA 1.022 46.159 45.100 0.061 0.000 0.692 413 G HN 0.650 nan 8.290 nan 0.000 0.526 414 S N -1.399 114.279 115.700 -0.037 0.000 4.333 414 S HA 0.495 4.965 4.470 -0.000 0.000 0.203 414 S C 1.134 175.615 174.600 -0.199 0.000 1.107 414 S CA 0.361 58.521 58.200 -0.067 0.000 1.753 414 S CB 0.340 63.577 63.200 0.062 0.000 1.009 414 S HN 0.160 nan 8.310 nan 0.000 0.779 415 N N 1.120 119.665 118.700 -0.257 0.000 2.205 415 N HA 0.252 4.992 4.740 -0.000 0.000 0.201 415 N C -0.845 174.453 175.510 -0.354 0.000 1.128 415 N CA 0.100 52.962 53.050 -0.313 0.000 0.867 415 N CB 0.564 38.852 38.487 -0.331 0.000 0.996 415 N HN 0.454 nan 8.380 nan 0.000 0.503 416 Q N 1.473 121.010 119.800 -0.439 0.000 2.456 416 Q HA 0.283 4.623 4.340 -0.000 0.000 0.234 416 Q C 0.150 175.884 176.000 -0.442 0.000 1.061 416 Q CA -0.373 55.051 55.803 -0.632 0.000 0.896 416 Q CB 1.392 29.401 28.738 -1.216 0.000 1.233 416 Q HN 0.058 nan 8.270 nan 0.000 0.506 417 V N -0.884 118.901 119.914 -0.216 0.000 3.240 417 V HA 1.038 5.158 4.120 -0.000 0.000 0.306 417 V C -0.551 175.527 176.094 -0.027 0.000 1.227 417 V CA -0.779 61.334 62.300 -0.312 0.000 1.047 417 V CB 1.725 33.277 31.823 -0.452 0.000 1.203 417 V HN 0.675 nan 8.190 nan 0.000 0.471 418 A N 0.514 123.199 122.820 -0.225 0.000 2.592 418 A HA 0.723 5.043 4.320 -0.000 0.000 0.300 418 A C -1.241 176.199 177.584 -0.240 0.000 0.994 418 A CA -0.029 51.853 52.037 -0.258 0.000 0.707 418 A CB 0.430 19.278 19.000 -0.253 0.000 1.273 418 A HN 2.486 nan 8.150 nan 0.000 0.413 419 F N -0.541 119.116 119.950 -0.489 0.000 2.741 419 F HA 0.899 5.426 4.527 -0.000 0.000 0.311 419 F C -0.007 175.580 175.800 -0.356 0.000 1.149 419 F CA -0.295 57.538 58.000 -0.279 0.000 0.930 419 F CB 0.802 39.754 39.000 -0.080 0.000 1.312 419 F HN 1.346 nan 8.300 nan 0.000 0.450 420 G N 0.630 109.492 108.800 0.103 0.000 2.630 420 G HA2 0.657 4.617 3.960 -0.000 0.000 0.296 420 G HA3 0.657 4.617 3.960 -0.000 0.000 0.296 420 G C -1.646 173.402 174.900 0.247 0.000 1.285 420 G CA -1.333 43.883 45.100 0.193 0.000 0.958 420 G HN 0.594 nan 8.290 nan 0.000 0.479 421 R N 0.575 121.203 120.500 0.213 0.000 2.287 421 R HA 0.473 4.813 4.340 -0.000 0.000 0.316 421 R C 1.008 177.365 176.300 0.095 0.000 1.050 421 R CA 0.131 56.335 56.100 0.173 0.000 0.983 421 R CB 0.343 30.733 30.300 0.150 0.000 1.140 421 R HN 1.215 nan 8.270 nan 0.000 0.528 422 G N 3.873 112.730 108.800 0.094 0.000 2.634 422 G HA2 -0.438 3.522 3.960 -0.000 0.000 0.309 422 G HA3 -0.438 3.522 3.960 -0.000 0.000 0.309 422 G C 0.320 175.250 174.900 0.050 0.000 1.265 422 G CA 0.713 45.851 45.100 0.062 0.000 0.998 422 G HN 0.801 nan 8.290 nan 0.000 0.551 423 N N -0.110 118.608 118.700 0.029 0.000 2.328 423 N HA 0.333 5.073 4.740 -0.000 0.000 0.247 423 N C 1.197 176.718 175.510 0.019 0.000 1.165 423 N CA -0.256 52.806 53.050 0.020 0.000 0.873 423 N CB 0.476 38.974 38.487 0.019 0.000 1.125 423 N HN 0.518 nan 8.380 nan 0.000 0.513 424 R N -0.023 120.479 120.500 0.003 0.000 2.509 424 R HA 0.272 4.612 4.340 -0.000 0.000 0.297 424 R C 0.068 176.336 176.300 -0.053 0.000 0.951 424 R CA -0.044 56.046 56.100 -0.016 0.000 1.103 424 R CB 1.594 31.854 30.300 -0.067 0.000 1.283 424 R HN 0.223 nan 8.270 nan 0.000 0.534 425 G N 0.623 109.406 108.800 -0.028 0.000 2.632 425 G HA2 0.502 4.462 3.960 -0.000 0.000 0.292 425 G HA3 0.502 4.462 3.960 -0.000 0.000 0.292 425 G C -2.126 172.906 174.900 0.220 0.000 1.465 425 G CA -0.407 44.690 45.100 -0.006 0.000 0.824 425 G HN 0.006 nan 8.290 nan 0.000 0.509 426 F N 0.309 120.318 119.950 0.098 0.000 2.650 426 F HA 0.803 5.330 4.527 -0.000 0.000 0.310 426 F C -1.365 174.361 175.800 -0.124 0.000 1.112 426 F CA -1.045 56.920 58.000 -0.058 0.000 0.986 426 F CB 2.020 40.946 39.000 -0.124 0.000 1.285 426 F HN 0.549 nan 8.300 nan 0.000 0.440 427 I N 5.329 125.281 120.570 -1.031 0.000 2.656 427 I HA 0.721 4.891 4.170 -0.000 0.000 0.292 427 I C -1.820 173.652 176.117 -1.075 0.000 1.144 427 I CA -0.742 60.012 61.300 -0.909 0.000 1.038 427 I CB 1.974 39.452 38.000 -0.871 0.000 1.244 427 I HN 0.385 nan 8.210 nan 0.000 0.420 428 V N 6.627 126.028 119.914 -0.855 0.000 2.588 428 V HA 0.549 4.669 4.120 -0.000 0.000 0.304 428 V C -0.881 174.949 176.094 -0.440 0.000 1.042 428 V CA -0.558 61.377 62.300 -0.608 0.000 0.877 428 V CB 1.591 32.952 31.823 -0.771 0.000 0.996 428 V HN 0.475 nan 8.190 nan 0.000 0.425 429 F N 2.261 122.202 119.950 -0.015 0.000 2.522 429 F HA 0.640 5.166 4.527 -0.000 0.000 0.324 429 F C 0.194 176.028 175.800 0.058 0.000 1.077 429 F CA -0.721 57.307 58.000 0.047 0.000 0.944 429 F CB 2.045 41.026 39.000 -0.031 0.000 1.175 429 F HN 0.557 nan 8.300 nan 0.000 0.468 430 N N 1.253 120.073 118.700 0.200 0.000 2.640 430 N HA 0.181 4.920 4.740 -0.000 0.000 0.262 430 N C -1.106 174.352 175.510 -0.087 0.000 1.174 430 N CA -0.242 52.802 53.050 -0.010 0.000 0.791 430 N CB 0.409 38.956 38.487 0.100 0.000 1.279 430 N HN 0.521 nan 8.380 nan 0.000 0.535 431 N N 1.692 120.281 118.700 -0.186 0.000 2.273 431 N HA 0.173 4.913 4.740 -0.000 0.000 0.231 431 N C -0.948 174.369 175.510 -0.321 0.000 1.134 431 N CA -0.156 52.775 53.050 -0.200 0.000 0.856 431 N CB 0.298 38.667 38.487 -0.196 0.000 1.068 431 N HN 0.513 nan 8.380 nan 0.000 0.510 432 D N -0.664 119.433 120.400 -0.505 0.000 2.437 432 D HA 0.164 4.803 4.640 -0.000 0.000 0.259 432 D C -0.273 175.615 176.300 -0.688 0.000 1.118 432 D CA -0.130 53.354 54.000 -0.861 0.000 1.017 432 D CB 0.909 40.725 40.800 -1.639 0.000 1.120 432 D HN 0.108 nan 8.370 nan 0.000 0.541 433 D N 0.518 120.520 120.400 -0.662 0.000 2.460 433 D HA 0.154 4.794 4.640 -0.000 0.000 0.229 433 D C -0.450 175.946 176.300 0.161 0.000 1.170 433 D CA -0.122 53.812 54.000 -0.110 0.000 0.827 433 D CB -0.040 40.828 40.800 0.113 0.000 0.973 433 D HN 0.290 nan 8.370 nan 0.000 0.496 434 W N -0.943 120.368 121.300 0.018 0.000 3.274 434 W HA 0.338 4.998 4.660 -0.000 0.000 0.327 434 W C -0.212 176.347 176.519 0.067 0.000 1.172 434 W CA -1.271 56.097 57.345 0.037 0.000 1.217 434 W CB -0.172 29.306 29.460 0.030 0.000 1.376 434 W HN -0.321 nan 8.180 nan 0.000 0.507 435 T N 2.799 117.507 114.554 0.257 0.000 2.872 435 T HA -0.051 4.299 4.350 -0.000 0.000 0.292 435 T C -0.722 174.170 174.700 0.320 0.000 1.036 435 T CA 0.529 62.762 62.100 0.221 0.000 1.136 435 T CB -0.080 68.907 68.868 0.199 0.000 1.052 435 T HN 0.453 nan 8.240 nan 0.000 0.512 436 F N 5.542 125.537 119.950 0.075 0.000 2.308 436 F HA 0.559 5.086 4.527 -0.000 0.000 0.370 436 F C -0.034 175.811 175.800 0.076 0.000 1.100 436 F CA -1.403 56.643 58.000 0.077 0.000 1.108 436 F CB 0.504 39.510 39.000 0.011 0.000 1.293 436 F HN 0.490 nan 8.300 nan 0.000 0.478 437 S N 7.456 123.364 115.700 0.348 0.000 2.561 437 S HA 0.883 5.353 4.470 -0.000 0.000 0.303 437 S C -1.654 172.979 174.600 0.054 0.000 1.110 437 S CA -0.420 57.831 58.200 0.085 0.000 1.034 437 S CB 0.960 64.313 63.200 0.256 0.000 1.010 437 S HN 0.764 nan 8.310 nan 0.000 0.482 438 L N 3.480 124.525 121.223 -0.298 0.000 2.948 438 L HA 0.431 4.770 4.340 -0.000 0.000 0.248 438 L C -1.034 175.688 176.870 -0.246 0.000 0.977 438 L CA 0.013 54.773 54.840 -0.134 0.000 1.002 438 L CB 1.654 43.687 42.059 -0.042 0.000 1.519 438 L HN 0.642 nan 8.230 nan 0.000 0.422 439 T N 4.323 118.856 114.554 -0.036 0.000 2.728 439 T HA 0.676 5.026 4.350 -0.000 0.000 0.296 439 T C -0.270 174.395 174.700 -0.059 0.000 0.940 439 T CA -0.172 61.916 62.100 -0.020 0.000 1.013 439 T CB 0.144 69.033 68.868 0.035 0.000 0.912 439 T HN 0.412 nan 8.240 nan 0.000 0.484 440 L N 2.708 123.936 121.223 0.009 0.000 2.330 440 L HA 0.534 4.874 4.340 -0.000 0.000 0.271 440 L C 0.259 177.057 176.870 -0.118 0.000 1.013 440 L CA -1.312 53.504 54.840 -0.040 0.000 0.816 440 L CB 1.606 43.694 42.059 0.048 0.000 1.287 440 L HN 0.427 nan 8.230 nan 0.000 0.435 441 Q N 0.793 120.497 119.800 -0.159 0.000 2.344 441 Q HA 0.071 4.411 4.340 -0.000 0.000 0.253 441 Q C 0.722 176.404 176.000 -0.531 0.000 1.050 441 Q CA 0.054 55.725 55.803 -0.220 0.000 0.912 441 Q CB 1.036 29.718 28.738 -0.092 0.000 1.258 441 Q HN 0.678 nan 8.270 nan 0.000 0.443 442 T N 0.800 114.920 114.554 -0.723 0.000 3.100 442 T HA 0.155 4.505 4.350 -0.000 0.000 0.253 442 T C 1.226 175.601 174.700 -0.541 0.000 1.118 442 T CA 0.376 61.719 62.100 -1.261 0.000 1.058 442 T CB -0.368 67.962 68.868 -0.897 0.000 0.953 442 T HN 0.993 nan 8.240 nan 0.000 0.515 443 G N 1.321 109.949 108.800 -0.286 0.000 2.321 443 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.287 443 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.287 443 G C -0.142 174.700 174.900 -0.098 0.000 1.018 443 G CA 0.773 45.801 45.100 -0.121 0.000 0.855 443 G HN 0.661 nan 8.290 nan 0.000 0.507 444 L N -0.718 120.415 121.223 -0.151 0.000 2.333 444 L HA 0.534 4.873 4.340 -0.000 0.000 0.269 444 L C -1.996 174.859 176.870 -0.025 0.000 1.010 444 L CA -2.645 52.128 54.840 -0.112 0.000 0.818 444 L CB 2.041 43.915 42.059 -0.308 0.000 1.306 444 L HN -0.152 nan 8.230 nan 0.000 0.430 445 P HA 0.097 nan 4.420 nan 0.000 0.269 445 P C -0.736 176.661 177.300 0.161 0.000 1.209 445 P CA -0.270 62.891 63.100 0.103 0.000 0.776 445 P CB 0.643 32.413 31.700 0.117 0.000 0.876 446 A N 2.386 125.264 122.820 0.097 0.000 2.520 446 A HA 0.521 4.841 4.320 -0.000 0.000 0.235 446 A C 0.838 178.507 177.584 0.142 0.000 1.065 446 A CA 1.181 53.282 52.037 0.107 0.000 0.764 446 A CB -0.806 18.224 19.000 0.050 0.000 1.002 446 A HN 0.765 nan 8.150 nan 0.000 0.502 447 G N -0.566 108.333 108.800 0.164 0.000 2.356 447 G HA2 0.441 4.401 3.960 -0.000 0.000 0.288 447 G HA3 0.441 4.401 3.960 -0.000 0.000 0.288 447 G C -0.808 174.156 174.900 0.107 0.000 1.302 447 G CA -0.138 45.000 45.100 0.064 0.000 0.887 447 G HN 0.991 nan 8.290 nan 0.000 0.521 448 T N 1.312 115.840 114.554 -0.044 0.000 2.788 448 T HA 0.598 4.948 4.350 -0.000 0.000 0.296 448 T C -1.148 173.440 174.700 -0.187 0.000 1.009 448 T CA 0.041 62.124 62.100 -0.029 0.000 0.949 448 T CB 0.396 69.280 68.868 0.027 0.000 0.946 448 T HN 0.364 nan 8.240 nan 0.000 0.453 449 Y N 0.914 121.110 120.300 -0.174 0.000 2.361 449 Y HA 0.419 4.968 4.550 -0.000 0.000 0.332 449 Y C 0.724 176.510 175.900 -0.188 0.000 1.101 449 Y CA -1.209 56.800 58.100 -0.151 0.000 1.137 449 Y CB 0.762 39.155 38.460 -0.112 0.000 1.207 449 Y HN 0.544 nan 8.280 nan 0.000 0.463 450 c N 2.360 120.940 118.600 -0.033 0.000 2.435 450 c HA 0.165 4.735 4.570 -0.000 0.000 0.375 450 c C 0.308 174.354 174.090 -0.073 0.000 1.281 450 c CA -0.859 55.424 56.329 -0.077 0.000 1.963 450 c CB -0.233 42.228 42.510 -0.082 0.000 2.490 450 c HN 0.780 nan 8.230 nan 0.000 0.557 451 D N 1.702 122.050 120.400 -0.088 0.000 2.338 451 D HA 0.139 4.779 4.640 -0.000 0.000 0.255 451 D C 1.025 177.259 176.300 -0.111 0.000 1.237 451 D CA -0.280 53.659 54.000 -0.102 0.000 0.883 451 D CB 0.887 41.615 40.800 -0.121 0.000 1.087 451 D HN 0.455 nan 8.370 nan 0.000 0.485 452 V N 2.640 122.489 119.914 -0.109 0.000 3.623 452 V HA -0.002 4.118 4.120 -0.000 0.000 0.274 452 V C 1.245 177.298 176.094 -0.069 0.000 1.244 452 V CA 0.370 62.632 62.300 -0.063 0.000 1.182 452 V CB -0.850 30.970 31.823 -0.005 0.000 0.925 452 V HN 0.514 nan 8.190 nan 0.000 0.462 453 I N 1.774 122.244 120.570 -0.166 0.000 2.685 453 I HA 0.028 4.198 4.170 -0.000 0.000 0.251 453 I C 2.638 178.644 176.117 -0.186 0.000 1.102 453 I CA 1.791 62.940 61.300 -0.251 0.000 1.442 453 I CB -0.963 36.682 38.000 -0.593 0.000 1.194 453 I HN 0.559 nan 8.210 nan 0.000 0.448 454 S N 0.002 115.592 115.700 -0.183 0.000 2.522 454 S HA 0.309 4.779 4.470 -0.000 0.000 0.227 454 S C 0.992 175.546 174.600 -0.077 0.000 0.986 454 S CA 0.444 58.569 58.200 -0.126 0.000 0.929 454 S CB -0.040 63.087 63.200 -0.122 0.000 0.769 454 S HN 0.493 nan 8.310 nan 0.000 0.529 455 G N -0.295 108.465 108.800 -0.067 0.000 2.500 455 G HA2 0.484 4.444 3.960 -0.000 0.000 0.299 455 G HA3 0.484 4.444 3.960 -0.000 0.000 0.299 455 G C -2.319 172.567 174.900 -0.024 0.000 1.242 455 G CA -0.573 44.505 45.100 -0.037 0.000 0.859 455 G HN 0.213 nan 8.290 nan 0.000 0.481 456 D N -0.678 119.713 120.400 -0.016 0.000 2.652 456 D HA 0.372 5.012 4.640 -0.000 0.000 0.285 456 D C -1.069 175.221 176.300 -0.017 0.000 1.173 456 D CA -0.578 53.419 54.000 -0.005 0.000 0.981 456 D CB 2.598 43.411 40.800 0.022 0.000 1.440 456 D HN 0.414 nan 8.370 nan 0.000 0.485 457 K N 1.612 122.005 120.400 -0.012 0.000 2.316 457 K HA 0.517 4.837 4.320 -0.000 0.000 0.267 457 K C -1.230 175.367 176.600 -0.005 0.000 1.025 457 K CA -0.336 55.938 56.287 -0.021 0.000 0.896 457 K CB 0.334 32.814 32.500 -0.033 0.000 1.124 457 K HN 0.372 nan 8.250 nan 0.000 0.451 458 I N 3.490 124.056 120.570 -0.006 0.000 2.533 458 I HA 0.175 4.345 4.170 -0.000 0.000 0.290 458 I C -0.256 175.859 176.117 -0.004 0.000 1.056 458 I CA -1.055 60.245 61.300 0.001 0.000 1.057 458 I CB 1.805 39.809 38.000 0.008 0.000 1.240 458 I HN 0.756 nan 8.210 nan 0.000 0.423 459 N N 4.802 123.500 118.700 -0.002 0.000 2.705 459 N HA -0.187 4.553 4.740 -0.000 0.000 0.255 459 N C 0.895 176.399 175.510 -0.011 0.000 1.008 459 N CA 1.251 54.299 53.050 -0.005 0.000 0.742 459 N CB -0.540 37.946 38.487 -0.002 0.000 0.906 459 N HN 1.218 nan 8.380 nan 0.000 0.541 460 G N -0.601 108.189 108.800 -0.017 0.000 2.179 460 G HA2 -0.321 3.638 3.960 -0.000 0.000 0.257 460 G HA3 -0.321 3.638 3.960 -0.000 0.000 0.257 460 G C -0.068 174.817 174.900 -0.025 0.000 1.010 460 G CA 0.610 45.695 45.100 -0.024 0.000 0.736 460 G HN 0.638 nan 8.290 nan 0.000 0.513 461 N N -1.625 117.060 118.700 -0.024 0.000 2.591 461 N HA 0.369 5.109 4.740 -0.000 0.000 0.263 461 N C -0.495 174.998 175.510 -0.029 0.000 1.308 461 N CA -0.091 52.944 53.050 -0.024 0.000 0.837 461 N CB 1.501 39.980 38.487 -0.014 0.000 1.548 461 N HN 0.126 nan 8.380 nan 0.000 0.493 462 c N 0.561 119.140 118.600 -0.035 0.000 2.463 462 c HA 0.385 4.955 4.570 -0.000 0.000 0.380 462 c C 2.078 176.150 174.090 -0.030 0.000 1.264 462 c CA -0.344 55.960 56.329 -0.042 0.000 2.161 462 c CB 0.302 42.774 42.510 -0.063 0.000 2.515 462 c HN 0.827 nan 8.230 nan 0.000 0.565 463 T N -0.847 113.691 114.554 -0.027 0.000 3.040 463 T HA 0.317 4.667 4.350 -0.000 0.000 0.250 463 T C 0.793 175.477 174.700 -0.027 0.000 1.058 463 T CA 0.541 62.629 62.100 -0.020 0.000 0.988 463 T CB 0.166 69.028 68.868 -0.011 0.000 0.993 463 T HN 0.836 nan 8.240 nan 0.000 0.519 464 G N 0.958 109.734 108.800 -0.040 0.000 3.211 464 G HA2 0.669 4.629 3.960 -0.000 0.000 0.167 464 G HA3 0.669 4.629 3.960 -0.000 0.000 0.167 464 G C -0.568 174.297 174.900 -0.060 0.000 1.212 464 G CA -1.253 43.816 45.100 -0.050 0.000 0.928 464 G HN 0.402 nan 8.290 nan 0.000 0.607 465 I N 0.754 121.279 120.570 -0.075 0.000 2.813 465 I HA 0.145 4.314 4.170 -0.000 0.000 0.287 465 I C 0.069 176.112 176.117 -0.124 0.000 1.196 465 I CA 0.533 61.781 61.300 -0.086 0.000 1.421 465 I CB 0.745 38.692 38.000 -0.088 0.000 1.365 465 I HN 0.168 nan 8.210 nan 0.000 0.591 466 K N 5.973 126.267 120.400 -0.176 0.000 2.244 466 K HA 0.574 4.894 4.320 -0.000 0.000 0.260 466 K C -1.079 175.193 176.600 -0.546 0.000 0.951 466 K CA -0.705 55.380 56.287 -0.336 0.000 0.826 466 K CB 2.057 34.342 32.500 -0.357 0.000 1.108 466 K HN 0.329 nan 8.250 nan 0.000 0.433 467 I N 3.636 123.892 120.570 -0.524 0.000 2.404 467 I HA 0.246 4.416 4.170 -0.000 0.000 0.293 467 I C -0.817 174.959 176.117 -0.568 0.000 0.992 467 I CA -0.848 60.145 61.300 -0.511 0.000 1.149 467 I CB 1.067 38.911 38.000 -0.260 0.000 1.315 467 I HN 0.526 nan 8.210 nan 0.000 0.446 468 Y N 5.223 125.450 120.300 -0.121 0.000 2.369 468 Y HA 0.456 5.006 4.550 -0.000 0.000 0.337 468 Y C 0.270 176.111 175.900 -0.098 0.000 0.961 468 Y CA -0.833 57.225 58.100 -0.070 0.000 1.186 468 Y CB 1.323 39.736 38.460 -0.079 0.000 1.139 468 Y HN 0.171 nan 8.280 nan 0.000 0.494 469 V N 3.518 123.487 119.914 0.091 0.000 2.483 469 V HA 0.555 4.674 4.120 -0.000 0.000 0.295 469 V C -0.113 176.007 176.094 0.044 0.000 1.035 469 V CA -0.853 61.455 62.300 0.014 0.000 0.896 469 V CB 1.654 33.468 31.823 -0.015 0.000 0.986 469 V HN 0.837 nan 8.190 nan 0.000 0.447 470 S N 1.772 117.471 115.700 -0.002 0.000 2.638 470 S HA 0.376 4.846 4.470 -0.000 0.000 0.298 470 S C 0.611 175.208 174.600 -0.006 0.000 1.111 470 S CA -0.787 57.414 58.200 0.001 0.000 1.027 470 S CB 1.539 64.731 63.200 -0.013 0.000 1.064 470 S HN 0.679 nan 8.310 nan 0.000 0.525 471 D N 1.990 122.390 120.400 -0.000 0.000 2.242 471 D HA -0.229 4.411 4.640 -0.000 0.000 0.190 471 D C 1.326 177.619 176.300 -0.012 0.000 1.012 471 D CA 2.144 56.142 54.000 -0.002 0.000 0.875 471 D CB -0.491 40.307 40.800 -0.002 0.000 0.922 471 D HN 0.889 nan 8.370 nan 0.000 0.448 472 D N -0.471 119.918 120.400 -0.019 0.000 2.392 472 D HA -0.036 4.604 4.640 -0.000 0.000 0.228 472 D C 1.672 177.948 176.300 -0.041 0.000 1.003 472 D CA 1.225 55.210 54.000 -0.024 0.000 0.917 472 D CB -0.389 40.397 40.800 -0.023 0.000 0.890 472 D HN 0.397 nan 8.370 nan 0.000 0.532 473 G N 0.114 108.882 108.800 -0.052 0.000 2.225 473 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.254 473 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.254 473 G C 0.316 175.133 174.900 -0.138 0.000 0.988 473 G CA 0.344 45.389 45.100 -0.092 0.000 0.625 473 G HN 0.504 nan 8.290 nan 0.000 0.527 474 K N 0.729 121.066 120.400 -0.105 0.000 2.219 474 K HA 0.637 4.957 4.320 -0.000 0.000 0.258 474 K C 0.231 176.753 176.600 -0.130 0.000 1.008 474 K CA 0.469 56.687 56.287 -0.114 0.000 0.928 474 K CB 1.172 33.630 32.500 -0.070 0.000 0.983 474 K HN 1.017 nan 8.250 nan 0.000 0.484 475 A N 1.479 124.205 122.820 -0.157 0.000 2.577 475 A HA 0.257 4.577 4.320 -0.000 0.000 0.297 475 A C -1.831 175.526 177.584 -0.377 0.000 1.060 475 A CA -0.751 51.120 52.037 -0.277 0.000 0.697 475 A CB 0.828 19.575 19.000 -0.422 0.000 1.281 475 A HN 0.869 nan 8.150 nan 0.000 0.402 476 H N 0.509 119.310 119.070 -0.448 0.000 2.511 476 H HA 0.767 5.323 4.556 -0.000 0.000 0.346 476 H C -1.312 173.600 175.328 -0.694 0.000 1.128 476 H CA 0.133 55.957 56.048 -0.373 0.000 1.342 476 H CB 0.527 30.171 29.762 -0.196 0.000 1.470 476 H HN 0.460 nan 8.280 nan 0.000 0.546 477 F N 1.311 120.729 119.950 -0.886 0.000 2.588 477 F HA 0.445 4.972 4.527 -0.000 0.000 0.314 477 F C -0.306 175.095 175.800 -0.665 0.000 1.069 477 F CA -0.799 56.847 58.000 -0.591 0.000 0.931 477 F CB 2.381 41.047 39.000 -0.556 0.000 1.260 477 F HN 0.442 nan 8.300 nan 0.000 0.465 478 S N 2.692 118.325 115.700 -0.111 0.000 2.737 478 S HA 0.661 5.131 4.470 -0.000 0.000 0.269 478 S C -1.290 173.323 174.600 0.022 0.000 1.150 478 S CA -0.324 57.866 58.200 -0.017 0.000 1.077 478 S CB 0.215 63.491 63.200 0.126 0.000 1.075 478 S HN 0.496 nan 8.310 nan 0.000 0.476 479 I N 3.339 123.941 120.570 0.053 0.000 2.448 479 I HA 0.318 4.488 4.170 -0.000 0.000 0.281 479 I C 0.368 176.558 176.117 0.122 0.000 1.027 479 I CA -0.571 60.780 61.300 0.084 0.000 1.111 479 I CB 1.853 39.913 38.000 0.100 0.000 1.236 479 I HN 0.520 nan 8.210 nan 0.000 0.452 480 S N 4.888 120.640 115.700 0.086 0.000 2.549 480 S HA 0.014 4.484 4.470 -0.000 0.000 0.283 480 S C 1.586 176.222 174.600 0.060 0.000 1.320 480 S CA -0.485 57.765 58.200 0.083 0.000 1.058 480 S CB 0.475 63.714 63.200 0.065 0.000 0.882 480 S HN 0.763 nan 8.310 nan 0.000 0.498 481 N N 2.991 121.719 118.700 0.046 0.000 2.513 481 N HA -0.131 4.609 4.740 -0.000 0.000 0.187 481 N C 0.890 176.409 175.510 0.014 0.000 1.056 481 N CA 1.227 54.276 53.050 -0.003 0.000 0.907 481 N CB -0.446 38.025 38.487 -0.028 0.000 0.954 481 N HN 0.569 nan 8.380 nan 0.000 0.445 482 S N -1.752 113.968 115.700 0.033 0.000 2.664 482 S HA 0.613 5.083 4.470 -0.000 0.000 0.245 482 S C 0.548 175.166 174.600 0.029 0.000 1.019 482 S CA -0.516 57.703 58.200 0.031 0.000 0.996 482 S CB 0.102 63.322 63.200 0.034 0.000 0.878 482 S HN 0.504 nan 8.310 nan 0.000 0.493 483 A N 1.587 124.426 122.820 0.031 0.000 2.429 483 A HA 0.408 4.727 4.320 -0.000 0.000 0.242 483 A C 1.474 179.068 177.584 0.016 0.000 1.088 483 A CA 0.237 52.286 52.037 0.020 0.000 0.784 483 A CB -0.085 18.925 19.000 0.017 0.000 1.038 483 A HN 0.455 nan 8.150 nan 0.000 0.501 484 E N 0.294 120.493 120.200 -0.002 0.000 2.049 484 E HA -0.151 4.199 4.350 -0.000 0.000 0.198 484 E C -0.321 176.285 176.600 0.011 0.000 1.007 484 E CA 2.072 58.469 56.400 -0.006 0.000 0.809 484 E CB 0.080 29.763 29.700 -0.028 0.000 0.749 484 E HN 0.623 nan 8.360 nan 0.000 0.450 485 D N -0.238 120.157 120.400 -0.007 0.000 2.542 485 D HA 0.125 4.765 4.640 -0.000 0.000 0.252 485 D C -2.234 174.089 176.300 0.039 0.000 1.222 485 D CA -1.426 52.595 54.000 0.035 0.000 0.895 485 D CB 1.805 42.534 40.800 -0.119 0.000 1.207 485 D HN 0.137 nan 8.370 nan 0.000 0.558 486 P HA 0.012 nan 4.420 nan 0.000 0.279 486 P C -0.588 176.853 177.300 0.235 0.000 1.451 486 P CA 0.079 63.276 63.100 0.162 0.000 0.783 486 P CB -0.680 31.101 31.700 0.135 0.000 1.490 487 F N -1.620 118.249 119.950 -0.136 0.000 2.628 487 F HA 0.633 5.160 4.527 -0.000 0.000 0.309 487 F C -1.525 174.077 175.800 -0.331 0.000 1.108 487 F CA -2.274 55.521 58.000 -0.341 0.000 0.971 487 F CB 0.627 39.254 39.000 -0.621 0.000 1.279 487 F HN -0.339 nan 8.300 nan 0.000 0.441 488 I N 2.720 123.021 120.570 -0.449 0.000 2.569 488 I HA 0.855 5.025 4.170 -0.000 0.000 0.296 488 I C -0.644 175.236 176.117 -0.395 0.000 1.028 488 I CA -1.218 59.840 61.300 -0.404 0.000 1.082 488 I CB 2.112 40.010 38.000 -0.171 0.000 1.264 488 I HN 1.023 nan 8.210 nan 0.000 0.429 489 A N 7.000 129.642 122.820 -0.297 0.000 2.455 489 A HA 0.887 5.207 4.320 -0.000 0.000 0.300 489 A C -0.948 176.627 177.584 -0.015 0.000 1.040 489 A CA -0.476 51.442 52.037 -0.200 0.000 0.697 489 A CB 1.459 20.266 19.000 -0.322 0.000 1.265 489 A HN 0.706 nan 8.150 nan 0.000 0.407 490 I N -0.275 120.366 120.570 0.119 0.000 2.934 490 I HA 0.964 5.134 4.170 -0.000 0.000 0.306 490 I C -0.699 175.517 176.117 0.164 0.000 1.110 490 I CA -1.000 60.340 61.300 0.066 0.000 1.019 490 I CB 2.526 40.544 38.000 0.029 0.000 1.227 490 I HN 0.956 nan 8.210 nan 0.000 0.434 491 H N 2.227 121.416 119.070 0.199 0.000 2.981 491 H HA 0.685 5.241 4.556 -0.000 0.000 0.327 491 H C 0.278 175.722 175.328 0.193 0.000 1.342 491 H CA -0.430 55.655 56.048 0.062 0.000 1.123 491 H CB 1.001 30.647 29.762 -0.194 0.000 1.851 491 H HN 0.705 nan 8.280 nan 0.000 0.531 492 A N 0.293 123.327 122.820 0.356 0.000 2.009 492 A HA -0.257 4.062 4.320 -0.000 0.000 0.222 492 A C 1.512 179.224 177.584 0.214 0.000 1.175 492 A CA 2.197 54.390 52.037 0.260 0.000 0.651 492 A CB -0.841 18.221 19.000 0.103 0.000 0.815 492 A HN 0.799 nan 8.150 nan 0.000 0.459 493 E N -0.272 120.155 120.200 0.379 0.000 2.478 493 E HA -0.009 4.341 4.350 -0.000 0.000 0.194 493 E C 1.204 177.915 176.600 0.185 0.000 1.045 493 E CA 0.631 57.172 56.400 0.235 0.000 0.868 493 E CB 0.032 29.823 29.700 0.151 0.000 0.885 493 E HN 0.742 nan 8.360 nan 0.000 0.505 494 S N 0.807 116.565 115.700 0.096 0.000 2.583 494 S HA 0.126 4.596 4.470 -0.000 0.000 0.239 494 S C 0.338 174.853 174.600 -0.141 0.000 0.966 494 S CA -0.461 57.683 58.200 -0.093 0.000 0.973 494 S CB -0.057 62.950 63.200 -0.321 0.000 0.794 494 S HN 0.005 nan 8.310 nan 0.000 0.463 495 K N 1.855 122.115 120.400 -0.234 0.000 2.172 495 K HA 0.447 4.766 4.320 -0.000 0.000 0.276 495 K C -0.190 176.239 176.600 -0.285 0.000 1.013 495 K CA -0.730 55.239 56.287 -0.530 0.000 0.913 495 K CB 0.670 32.695 32.500 -0.791 0.000 1.055 495 K HN 0.257 nan 8.250 nan 0.000 0.461 496 L N 0.000 121.070 121.223 -0.254 0.000 2.949 496 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 496 L CA 0.000 54.754 54.840 -0.144 0.000 0.813 496 L CB 0.000 41.995 42.059 -0.107 0.000 0.961 496 L HN 0.000 nan 8.230 nan 0.000 0.502