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 1cpu_1_A DATA FIRST_RESID 2 DATA SEQUENCE YSPNTQQGRT SIVHLFEWRW VDIALEcERY LAPKGFGGVQ VSPPNENVAI DATA SEQUENCE YNPFRPWWER YQPVSYKLcT RSGNEDEFRN MVTRcNNVGV RIYVDAVINH DATA SEQUENCE MCGNAVSAGT SSTcGSYFNP GSRDFPAVPY SGWDFNDGKc KTGSGDIENY DATA SEQUENCE NDATQVRDcR LTGLLDLALE KDYVRSKIAE YMNHLIDIGV AGFRLDASKH DATA SEQUENCE MWPGDIKAIL DKLHNLNSNW FPAGSKPFIY QEVIDLGGEP IKSSDYFGNG DATA SEQUENCE RVTEFKYGAK LGTVIRKWNG EKMSYLKNWG EGWGFVPSDR ALVFVDNHDN DATA SEQUENCE QRGHGAGGAS ILTFWDARLY KMAVGFMLAH PYGFTRVMSS YRWPRQFQNG DATA SEQUENCE NDVNDWVGPP NNNGVIKEVT INPDTTcGND WVcEHRWRQI RNMVIFRNVV DATA SEQUENCE DGQPFTNWYD NGSNQVAFGR GNRGFIVFNN DDWSFSLTLQ 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 0.000 175.939 175.900 0.065 0.000 1.272 2 Y CA 0.000 58.166 58.100 0.110 0.000 1.940 2 Y CB 0.000 38.469 38.460 0.015 0.000 1.050 3 S N 3.335 119.085 115.700 0.084 0.000 2.513 3 S HA 0.318 4.788 4.470 -0.000 0.000 0.276 3 S C -1.875 172.421 174.600 -0.507 0.000 1.254 3 S CA -1.333 56.758 58.200 -0.181 0.000 1.053 3 S CB 1.253 64.394 63.200 -0.098 0.000 0.958 3 S HN -0.045 nan 8.310 nan 0.000 0.491 4 P HA 0.031 nan 4.420 nan 0.000 0.222 4 P C -0.014 176.975 177.300 -0.518 0.000 1.147 4 P CA 0.581 62.733 63.100 -1.579 0.000 0.790 4 P CB -0.124 30.495 31.700 -1.801 0.000 0.780 5 N N -2.327 116.203 118.700 -0.284 0.000 2.782 5 N HA -0.104 4.636 4.740 -0.000 0.000 0.251 5 N C -0.139 175.400 175.510 0.048 0.000 1.101 5 N CA 1.465 54.482 53.050 -0.054 0.000 0.764 5 N CB -2.357 36.093 38.487 -0.061 0.000 1.122 5 N HN 0.331 nan 8.380 nan 0.000 0.561 6 T N -2.494 112.046 114.554 -0.024 0.000 2.828 6 T HA 0.302 4.652 4.350 -0.000 0.000 0.290 6 T C 0.561 175.277 174.700 0.027 0.000 1.019 6 T CA -0.512 61.614 62.100 0.043 0.000 1.031 6 T CB 1.859 70.769 68.868 0.070 0.000 1.001 6 T HN 0.181 nan 8.240 nan 0.000 0.531 7 Q N 0.919 120.730 119.800 0.019 0.000 2.361 7 Q HA 0.102 4.442 4.340 -0.000 0.000 0.276 7 Q C -0.374 175.625 176.000 -0.001 0.000 1.022 7 Q CA -0.321 55.481 55.803 -0.002 0.000 0.898 7 Q CB 0.390 29.118 28.738 -0.017 0.000 1.246 7 Q HN 0.509 nan 8.270 nan 0.000 0.410 8 Q N 1.518 121.315 119.800 -0.006 0.000 2.269 8 Q HA 0.223 4.563 4.340 -0.000 0.000 0.300 8 Q C 0.822 176.813 176.000 -0.015 0.000 1.070 8 Q CA 1.435 57.232 55.803 -0.009 0.000 0.957 8 Q CB 0.293 29.025 28.738 -0.010 0.000 1.131 8 Q HN 0.928 nan 8.270 nan 0.000 0.377 9 G N 2.404 111.194 108.800 -0.017 0.000 2.195 9 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.224 9 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.224 9 G C -0.064 174.814 174.900 -0.037 0.000 0.990 9 G CA -0.274 44.808 45.100 -0.030 0.000 0.639 9 G HN 0.470 nan 8.290 nan 0.000 0.514 10 R N 0.669 121.158 120.500 -0.018 0.000 2.295 10 R HA 0.573 4.913 4.340 -0.000 0.000 0.324 10 R C 0.950 177.256 176.300 0.010 0.000 0.968 10 R CA 0.252 56.339 56.100 -0.021 0.000 0.837 10 R CB 1.136 31.440 30.300 0.007 0.000 1.133 10 R HN 0.280 nan 8.270 nan 0.000 0.450 11 T N -2.598 111.923 114.554 -0.054 0.000 3.132 11 T HA 0.269 4.619 4.350 -0.000 0.000 0.274 11 T C 0.288 174.768 174.700 -0.366 0.000 1.011 11 T CA -0.292 61.763 62.100 -0.074 0.000 0.899 11 T CB 0.423 69.235 68.868 -0.094 0.000 1.089 11 T HN 0.264 nan 8.240 nan 0.000 0.543 12 S N 1.332 116.857 115.700 -0.292 0.000 2.564 12 S HA 0.762 5.232 4.470 -0.000 0.000 0.274 12 S C -0.861 173.681 174.600 -0.097 0.000 1.124 12 S CA -1.066 56.887 58.200 -0.412 0.000 0.869 12 S CB 1.755 64.781 63.200 -0.290 0.000 1.105 12 S HN 0.588 nan 8.310 nan 0.000 0.472 13 I N -0.595 119.936 120.570 -0.065 0.000 2.693 13 I HA 0.915 5.085 4.170 -0.000 0.000 0.303 13 I C -0.974 175.223 176.117 0.134 0.000 1.025 13 I CA -0.989 60.390 61.300 0.132 0.000 1.086 13 I CB 1.758 39.847 38.000 0.149 0.000 1.268 13 I HN 0.440 nan 8.210 nan 0.000 0.440 14 V N 3.742 123.732 119.914 0.127 0.000 2.680 14 V HA 0.413 4.533 4.120 -0.000 0.000 0.309 14 V C -1.044 175.065 176.094 0.026 0.000 1.052 14 V CA -0.373 61.948 62.300 0.035 0.000 0.908 14 V CB 1.651 33.373 31.823 -0.169 0.000 1.001 14 V HN 0.875 nan 8.190 nan 0.000 0.431 15 H N 6.714 125.737 119.070 -0.077 0.000 2.820 15 H HA 0.402 4.958 4.556 -0.000 0.000 0.278 15 H C -0.300 174.945 175.328 -0.138 0.000 1.142 15 H CA -0.552 55.468 56.048 -0.046 0.000 1.346 15 H CB 0.345 30.110 29.762 0.005 0.000 1.438 15 H HN 0.601 nan 8.280 nan 0.000 0.473 16 L N 6.840 127.937 121.223 -0.209 0.000 2.423 16 L HA 0.079 4.419 4.340 -0.000 0.000 0.249 16 L C 0.149 176.884 176.870 -0.226 0.000 1.276 16 L CA -0.588 53.841 54.840 -0.685 0.000 1.199 16 L CB -0.816 40.531 42.059 -1.187 0.000 1.407 16 L HN 0.451 nan 8.230 nan 0.000 0.410 17 F N 4.162 123.854 119.950 -0.430 0.000 2.569 17 F HA -0.067 4.460 4.527 -0.000 0.000 0.395 17 F C 1.379 177.385 175.800 0.343 0.000 1.028 17 F CA 0.296 58.137 58.000 -0.266 0.000 1.158 17 F CB -0.127 38.619 39.000 -0.424 0.000 1.023 17 F HN 0.495 nan 8.300 nan 0.000 0.547 18 E N 2.488 122.691 120.200 0.004 0.000 3.286 18 E HA -0.304 4.046 4.350 -0.000 0.000 0.292 18 E C -0.560 176.158 176.600 0.196 0.000 0.928 18 E CA 0.902 57.291 56.400 -0.019 0.000 0.982 18 E CB -1.674 27.872 29.700 -0.257 0.000 1.500 18 E HN 0.625 nan 8.360 nan 0.000 0.441 19 W N 1.454 122.697 121.300 -0.095 0.000 2.150 19 W HA 0.218 4.878 4.660 -0.000 0.000 0.341 19 W C 1.483 177.842 176.519 -0.265 0.000 1.276 19 W CA -0.031 57.151 57.345 -0.270 0.000 1.238 19 W CB 0.304 29.607 29.460 -0.262 0.000 1.128 19 W HN -0.097 nan 8.180 nan 0.000 0.581 20 R N 1.636 122.063 120.500 -0.123 0.000 2.582 20 R HA 0.102 4.442 4.340 -0.000 0.000 0.271 20 R C 1.043 177.371 176.300 0.048 0.000 1.078 20 R CA -0.317 55.641 56.100 -0.236 0.000 1.127 20 R CB 0.530 30.712 30.300 -0.197 0.000 1.038 20 R HN 0.692 nan 8.270 nan 0.000 0.500 21 W N 0.967 122.318 121.300 0.085 0.000 2.338 21 W HA -0.220 4.440 4.660 -0.000 0.000 0.304 21 W C 1.998 178.530 176.519 0.023 0.000 1.212 21 W CA 0.501 57.884 57.345 0.062 0.000 1.264 21 W CB -0.382 29.131 29.460 0.089 0.000 1.142 21 W HN 0.466 nan 8.180 nan 0.000 0.512 22 V N -1.737 118.313 119.914 0.226 0.000 2.407 22 V HA -0.262 3.858 4.120 -0.000 0.000 0.248 22 V C 1.642 177.786 176.094 0.083 0.000 1.055 22 V CA 2.234 64.605 62.300 0.119 0.000 1.049 22 V CB -0.919 30.944 31.823 0.066 0.000 0.662 22 V HN 0.060 nan 8.190 nan 0.000 0.455 23 D N 0.554 120.990 120.400 0.061 0.000 2.149 23 D HA 0.012 4.652 4.640 -0.000 0.000 0.201 23 D C 2.185 178.615 176.300 0.218 0.000 0.972 23 D CA 1.688 55.709 54.000 0.034 0.000 0.835 23 D CB -0.039 40.645 40.800 -0.192 0.000 0.966 23 D HN 0.512 nan 8.370 nan 0.000 0.476 24 I N 1.210 121.950 120.570 0.283 0.000 2.252 24 I HA -0.210 3.960 4.170 -0.000 0.000 0.245 24 I C 2.528 178.697 176.117 0.086 0.000 1.102 24 I CA 0.716 62.143 61.300 0.211 0.000 1.385 24 I CB -0.203 37.911 38.000 0.191 0.000 1.064 24 I HN -0.098 nan 8.210 nan 0.000 0.414 25 A N 1.904 124.768 122.820 0.073 0.000 1.883 25 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 25 A C 2.278 179.878 177.584 0.027 0.000 1.186 25 A CA 1.821 53.867 52.037 0.015 0.000 0.624 25 A CB -0.891 18.119 19.000 0.016 0.000 0.822 25 A HN 0.509 nan 8.150 nan 0.000 0.444 26 L N -2.227 119.027 121.223 0.051 0.000 2.291 26 L HA 0.008 4.348 4.340 -0.000 0.000 0.214 26 L C 2.015 178.930 176.870 0.075 0.000 1.120 26 L CA 2.361 57.232 54.840 0.051 0.000 0.799 26 L CB -1.283 40.801 42.059 0.043 0.000 0.925 26 L HN 0.384 nan 8.230 nan 0.000 0.446 27 E N 0.690 120.953 120.200 0.106 0.000 2.150 27 E HA -0.140 4.210 4.350 -0.000 0.000 0.193 27 E C 2.196 178.845 176.600 0.081 0.000 0.985 27 E CA 1.660 58.139 56.400 0.131 0.000 0.814 27 E CB -0.284 29.524 29.700 0.181 0.000 0.752 27 E HN 0.530 nan 8.360 nan 0.000 0.466 28 c N 0.539 119.154 118.600 0.026 0.000 2.429 28 c HA -0.100 4.470 4.570 -0.000 0.000 0.277 28 c C 2.365 176.470 174.090 0.025 0.000 1.262 28 c CA 1.252 57.580 56.329 -0.002 0.000 1.733 28 c CB -0.822 41.659 42.510 -0.048 0.000 2.010 28 c HN 0.540 nan 8.230 nan 0.000 0.483 29 E N 0.149 120.367 120.200 0.030 0.000 2.076 29 E HA -0.139 4.211 4.350 -0.000 0.000 0.190 29 E C 2.368 179.003 176.600 0.058 0.000 0.979 29 E CA 0.799 57.219 56.400 0.033 0.000 0.807 29 E CB -0.178 29.537 29.700 0.025 0.000 0.761 29 E HN 0.683 nan 8.360 nan 0.000 0.454 30 R N -0.994 119.560 120.500 0.090 0.000 2.246 30 R HA -0.007 4.333 4.340 -0.000 0.000 0.199 30 R C 1.148 177.566 176.300 0.196 0.000 0.984 30 R CA 0.954 57.127 56.100 0.120 0.000 1.015 30 R CB 0.128 30.500 30.300 0.120 0.000 0.930 30 R HN 0.236 nan 8.270 nan 0.000 0.475 31 Y N -0.144 120.183 120.300 0.045 0.000 3.006 31 Y HA 0.260 4.810 4.550 0.000 0.000 0.236 31 Y C 1.713 177.662 175.900 0.082 0.000 1.088 31 Y CA -0.254 57.885 58.100 0.064 0.000 1.307 31 Y CB 0.248 38.742 38.460 0.058 0.000 1.445 31 Y HN -0.154 nan 8.280 nan 0.000 0.433 32 L N 0.493 121.842 121.223 0.210 0.000 2.012 32 L HA -0.212 4.128 4.340 -0.000 0.000 0.210 32 L C 2.618 179.591 176.870 0.172 0.000 1.073 32 L CA 1.638 56.569 54.840 0.151 0.000 0.748 32 L CB -0.920 41.148 42.059 0.014 0.000 0.891 32 L HN 0.387 nan 8.230 nan 0.000 0.431 33 A N 0.661 123.531 122.820 0.083 0.000 1.845 33 A HA -0.104 4.216 4.320 -0.000 0.000 0.215 33 A C 0.114 177.716 177.584 0.031 0.000 1.195 33 A CA 1.707 53.773 52.037 0.049 0.000 0.616 33 A CB -1.933 17.078 19.000 0.018 0.000 0.832 33 A HN 0.331 nan 8.150 nan 0.000 0.443 34 P HA -0.105 nan 4.420 nan 0.000 0.222 34 P C 0.531 177.798 177.300 -0.054 0.000 1.147 34 P CA 1.002 64.085 63.100 -0.028 0.000 0.790 34 P CB -0.025 31.652 31.700 -0.038 0.000 0.780 35 K N -0.879 119.484 120.400 -0.062 0.000 2.417 35 K HA 0.219 4.539 4.320 -0.000 0.000 0.196 35 K C 1.313 177.907 176.600 -0.009 0.000 1.023 35 K CA 0.465 56.717 56.287 -0.059 0.000 1.122 35 K CB -0.639 31.772 32.500 -0.149 0.000 0.850 35 K HN 0.234 nan 8.250 nan 0.000 0.521 36 G N 1.596 110.407 108.800 0.018 0.000 2.147 36 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.244 36 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.244 36 G C -0.161 174.688 174.900 -0.084 0.000 1.005 36 G CA -0.312 44.759 45.100 -0.047 0.000 0.713 36 G HN 0.201 nan 8.290 nan 0.000 0.515 37 F N 0.598 120.544 119.950 -0.008 0.000 2.443 37 F HA 0.488 5.015 4.527 -0.000 0.000 0.353 37 F C 1.827 177.633 175.800 0.009 0.000 1.101 37 F CA 0.917 58.923 58.000 0.009 0.000 1.226 37 F CB 1.365 40.384 39.000 0.032 0.000 1.140 37 F HN 0.002 nan 8.300 nan 0.000 0.557 38 G N 1.706 110.598 108.800 0.154 0.000 2.430 38 G HA2 0.379 4.339 3.960 -0.000 0.000 0.216 38 G HA3 0.379 4.339 3.960 -0.000 0.000 0.216 38 G C 0.507 175.525 174.900 0.196 0.000 1.146 38 G CA 0.693 45.881 45.100 0.148 0.000 0.793 38 G HN 1.017 nan 8.290 nan 0.000 0.537 39 G N -2.154 106.793 108.800 0.246 0.000 2.441 39 G HA2 0.454 4.413 3.960 -0.000 0.000 0.294 39 G HA3 0.454 4.413 3.960 -0.000 0.000 0.294 39 G C -2.202 172.828 174.900 0.215 0.000 1.393 39 G CA -0.298 44.956 45.100 0.257 0.000 0.796 39 G HN 0.462 nan 8.290 nan 0.000 0.494 40 V N 0.437 120.457 119.914 0.177 0.000 2.588 40 V HA 0.552 4.672 4.120 -0.000 0.000 0.304 40 V C -0.137 176.089 176.094 0.220 0.000 1.042 40 V CA -0.654 61.706 62.300 0.099 0.000 0.877 40 V CB 1.659 33.448 31.823 -0.058 0.000 0.996 40 V HN 0.841 nan 8.190 nan 0.000 0.425 41 Q N 3.527 123.465 119.800 0.230 0.000 2.296 41 Q HA 0.599 4.939 4.340 -0.000 0.000 0.257 41 Q C -0.629 175.547 176.000 0.293 0.000 0.942 41 Q CA -0.429 55.532 55.803 0.263 0.000 0.939 41 Q CB 1.735 30.563 28.738 0.150 0.000 1.198 41 Q HN 0.801 nan 8.270 nan 0.000 0.429 42 V N 1.154 121.237 119.914 0.282 0.000 2.834 42 V HA 0.589 4.709 4.120 -0.000 0.000 0.313 42 V C 0.112 176.480 176.094 0.457 0.000 1.060 42 V CA -0.834 61.705 62.300 0.397 0.000 0.989 42 V CB 1.687 33.732 31.823 0.371 0.000 1.041 42 V HN 0.748 nan 8.190 nan 0.000 0.459 43 S N 2.754 118.790 115.700 0.559 0.000 2.593 43 S HA 0.347 4.817 4.470 -0.000 0.000 0.269 43 S C -2.388 172.472 174.600 0.434 0.000 1.334 43 S CA -0.383 58.110 58.200 0.488 0.000 1.015 43 S CB 0.252 63.698 63.200 0.411 0.000 0.912 43 S HN 0.845 nan 8.310 nan 0.000 0.541 44 P HA 0.029 nan 4.420 nan 0.000 0.256 44 P C -1.914 175.566 177.300 0.300 0.000 1.173 44 P CA -0.624 62.585 63.100 0.181 0.000 0.768 44 P CB 0.027 31.712 31.700 -0.025 0.000 0.758 45 P HA -0.042 nan 4.420 nan 0.000 0.255 45 P C -0.164 177.246 177.300 0.183 0.000 1.248 45 P CA 0.585 63.885 63.100 0.333 0.000 0.807 45 P CB 0.178 31.802 31.700 -0.126 0.000 1.150 46 N N 0.437 119.221 118.700 0.140 0.000 2.495 46 N HA 0.061 4.800 4.740 -0.000 0.000 0.280 46 N C -0.231 175.276 175.510 -0.006 0.000 1.168 46 N CA -0.501 52.571 53.050 0.036 0.000 0.978 46 N CB 1.362 39.791 38.487 -0.097 0.000 1.191 46 N HN -0.054 nan 8.380 nan 0.000 0.497 47 E N 0.331 120.501 120.200 -0.050 0.000 2.465 47 E HA -0.079 4.271 4.350 -0.000 0.000 0.260 47 E C -0.369 176.159 176.600 -0.120 0.000 0.980 47 E CA 0.013 56.370 56.400 -0.071 0.000 0.927 47 E CB 0.297 29.946 29.700 -0.085 0.000 0.934 47 E HN 0.728 nan 8.360 nan 0.000 0.459 48 N N 1.860 120.497 118.700 -0.105 0.000 2.577 48 N HA 0.260 5.000 4.740 -0.000 0.000 0.285 48 N C -0.887 174.522 175.510 -0.168 0.000 1.309 48 N CA -0.765 52.211 53.050 -0.123 0.000 0.798 48 N CB 1.009 39.469 38.487 -0.045 0.000 1.463 48 N HN 0.166 nan 8.380 nan 0.000 0.518 49 V N 0.231 120.042 119.914 -0.172 0.000 2.637 49 V HA 0.333 4.453 4.120 -0.000 0.000 0.296 49 V C 0.630 176.662 176.094 -0.102 0.000 1.046 49 V CA -0.536 61.673 62.300 -0.152 0.000 1.066 49 V CB 0.693 32.481 31.823 -0.058 0.000 0.968 49 V HN 0.846 nan 8.190 nan 0.000 0.483 50 A N 6.938 129.713 122.820 -0.074 0.000 2.391 50 A HA 0.576 4.896 4.320 -0.000 0.000 0.316 50 A C -0.226 177.187 177.584 -0.284 0.000 1.381 50 A CA -0.422 51.486 52.037 -0.215 0.000 0.998 50 A CB -0.267 18.653 19.000 -0.133 0.000 1.147 50 A HN 0.643 nan 8.150 nan 0.000 0.545 51 I N 3.101 123.433 120.570 -0.396 0.000 2.325 51 I HA 0.147 4.317 4.170 -0.000 0.000 0.291 51 I C -0.181 175.619 176.117 -0.529 0.000 1.019 51 I CA 0.180 61.288 61.300 -0.320 0.000 1.302 51 I CB 0.669 38.502 38.000 -0.279 0.000 1.401 51 I HN 0.737 nan 8.210 nan 0.000 0.485 52 Y N 3.626 123.866 120.300 -0.099 0.000 2.458 52 Y HA 0.158 4.707 4.550 -0.000 0.000 0.256 52 Y C 0.808 176.700 175.900 -0.014 0.000 1.159 52 Y CA -0.170 57.907 58.100 -0.040 0.000 1.261 52 Y CB 0.335 38.820 38.460 0.041 0.000 1.119 52 Y HN 0.537 nan 8.280 nan 0.000 0.524 53 N N 1.392 120.101 118.700 0.015 0.000 2.609 53 N HA 0.232 4.972 4.740 -0.000 0.000 0.268 53 N C -2.929 172.495 175.510 -0.142 0.000 1.106 53 N CA -1.895 51.122 53.050 -0.055 0.000 0.823 53 N CB 1.156 39.644 38.487 0.002 0.000 1.263 53 N HN -0.149 nan 8.380 nan 0.000 0.533 54 P HA 0.163 nan 4.420 nan 0.000 0.274 54 P C -0.471 176.632 177.300 -0.328 0.000 1.260 54 P CA -0.373 62.365 63.100 -0.604 0.000 0.793 54 P CB 0.583 31.374 31.700 -1.515 0.000 1.048 55 F N 2.261 122.039 119.950 -0.287 0.000 2.487 55 F HA 0.123 4.650 4.527 -0.000 0.000 0.364 55 F C 0.728 176.514 175.800 -0.024 0.000 1.126 55 F CA -0.199 57.775 58.000 -0.044 0.000 1.135 55 F CB -0.188 38.875 39.000 0.105 0.000 1.127 55 F HN 0.211 nan 8.300 nan 0.000 0.559 56 R N 3.371 123.403 120.500 -0.780 0.000 3.158 56 R HA -0.159 4.181 4.340 -0.000 0.000 0.244 56 R C -2.628 173.424 176.300 -0.413 0.000 0.900 56 R CA 0.264 55.926 56.100 -0.730 0.000 0.618 56 R CB -2.556 27.178 30.300 -0.943 0.000 1.061 56 R HN 0.412 nan 8.270 nan 0.000 0.471 57 P HA -0.038 nan 4.420 nan 0.000 0.272 57 P C 1.538 178.506 177.300 -0.553 0.000 1.230 57 P CA -0.440 62.324 63.100 -0.560 0.000 0.788 57 P CB 0.220 31.086 31.700 -1.390 0.000 0.949 58 W N 2.985 124.106 121.300 -0.298 0.000 2.374 58 W HA -0.114 4.546 4.660 -0.000 0.000 0.288 58 W C 1.584 178.116 176.519 0.022 0.000 1.218 58 W CA 0.842 58.129 57.345 -0.097 0.000 1.245 58 W CB -1.742 27.794 29.460 0.127 0.000 1.126 58 W HN 0.461 nan 8.180 nan 0.000 0.545 59 W N 3.351 124.020 121.300 -1.053 0.000 2.961 59 W HA 0.035 4.695 4.660 -0.000 0.000 0.240 59 W C 1.600 177.952 176.519 -0.278 0.000 1.305 59 W CA 0.841 57.610 57.345 -0.959 0.000 1.465 59 W CB -1.382 27.209 29.460 -1.449 0.000 1.135 59 W HN 0.218 nan 8.180 nan 0.000 0.688 60 E N 1.848 121.979 120.200 -0.115 0.000 2.268 60 E HA -0.168 4.182 4.350 -0.000 0.000 0.195 60 E C 1.837 178.515 176.600 0.130 0.000 0.995 60 E CA 0.811 57.215 56.400 0.007 0.000 0.836 60 E CB -0.510 29.054 29.700 -0.227 0.000 0.763 60 E HN 0.238 nan 8.360 nan 0.000 0.491 61 R N -0.518 120.124 120.500 0.236 0.000 2.316 61 R HA -0.023 4.317 4.340 -0.000 0.000 0.202 61 R C 0.339 176.851 176.300 0.354 0.000 1.029 61 R CA 0.568 56.841 56.100 0.289 0.000 1.018 61 R CB 0.042 30.559 30.300 0.361 0.000 0.888 61 R HN 0.292 nan 8.270 nan 0.000 0.471 62 Y N 0.228 120.637 120.300 0.181 0.000 2.658 62 Y HA 0.232 4.783 4.550 0.000 0.000 0.276 62 Y C 0.034 176.065 175.900 0.218 0.000 1.167 62 Y CA -0.252 57.983 58.100 0.226 0.000 1.230 62 Y CB 0.452 39.080 38.460 0.280 0.000 1.144 62 Y HN -0.107 nan 8.280 nan 0.000 0.529 63 Q N 1.116 121.055 119.800 0.232 0.000 2.907 63 Q HA 0.285 4.624 4.340 -0.000 0.000 0.262 63 Q C -2.737 173.271 176.000 0.012 0.000 0.997 63 Q CA -2.019 53.871 55.803 0.146 0.000 0.797 63 Q CB 1.412 30.229 28.738 0.132 0.000 1.228 63 Q HN 0.065 nan 8.270 nan 0.000 0.466 64 P HA -0.052 nan 4.420 nan 0.000 0.266 64 P C 0.196 177.354 177.300 -0.236 0.000 1.195 64 P CA 0.119 63.118 63.100 -0.169 0.000 0.768 64 P CB 1.188 32.759 31.700 -0.215 0.000 0.838 65 V N 0.611 120.354 119.914 -0.285 0.000 3.484 65 V HA 0.118 4.238 4.120 -0.000 0.000 0.252 65 V C 0.817 176.794 176.094 -0.195 0.000 1.282 65 V CA 1.430 63.575 62.300 -0.259 0.000 1.104 65 V CB 0.487 32.020 31.823 -0.484 0.000 0.868 65 V HN 0.825 nan 8.190 nan 0.000 0.457 66 S N -2.183 113.302 115.700 -0.358 0.000 2.683 66 S HA 0.440 4.910 4.470 -0.000 0.000 0.269 66 S C -0.928 173.291 174.600 -0.635 0.000 1.165 66 S CA -0.372 57.538 58.200 -0.483 0.000 0.840 66 S CB 0.854 63.923 63.200 -0.218 0.000 1.169 66 S HN -0.046 nan 8.310 nan 0.000 0.490 67 Y N 0.898 121.035 120.300 -0.272 0.000 2.607 67 Y HA 0.471 5.021 4.550 -0.000 0.000 0.266 67 Y C 0.559 176.349 175.900 -0.183 0.000 1.178 67 Y CA -0.836 57.009 58.100 -0.425 0.000 1.226 67 Y CB -0.129 38.023 38.460 -0.513 0.000 1.144 67 Y HN 0.401 nan 8.280 nan 0.000 0.528 68 K N 1.288 121.680 120.400 -0.015 0.000 2.350 68 K HA 0.220 4.540 4.320 -0.000 0.000 0.279 68 K C -0.221 176.417 176.600 0.064 0.000 1.027 68 K CA -0.127 56.184 56.287 0.039 0.000 0.969 68 K CB 0.692 33.203 32.500 0.019 0.000 0.954 68 K HN 0.166 nan 8.250 nan 0.000 0.474 69 L N 3.817 125.100 121.223 0.099 0.000 2.415 69 L HA 0.140 4.480 4.340 -0.000 0.000 0.269 69 L C -0.193 176.761 176.870 0.139 0.000 1.244 69 L CA -0.483 54.404 54.840 0.079 0.000 1.113 69 L CB -0.264 41.788 42.059 -0.012 0.000 1.352 69 L HN 0.596 nan 8.230 nan 0.000 0.433 70 c N 2.597 121.274 118.600 0.128 0.000 2.892 70 c HA 0.607 5.177 4.570 -0.000 0.000 0.360 70 c C 0.338 174.477 174.090 0.082 0.000 1.054 70 c CA -0.121 56.279 56.329 0.118 0.000 1.326 70 c CB 0.629 43.186 42.510 0.078 0.000 1.806 70 c HN 0.889 nan 8.230 nan 0.000 0.490 71 T N 1.705 116.308 114.554 0.083 0.000 2.696 71 T HA 0.501 4.851 4.350 -0.000 0.000 0.291 71 T C 0.962 175.616 174.700 -0.076 0.000 1.095 71 T CA -0.644 61.459 62.100 0.005 0.000 1.026 71 T CB 1.071 69.956 68.868 0.028 0.000 1.390 71 T HN 0.509 nan 8.240 nan 0.000 0.513 72 R N 0.096 120.522 120.500 -0.123 0.000 2.237 72 R HA 0.031 4.371 4.340 -0.000 0.000 0.219 72 R C 2.123 178.265 176.300 -0.263 0.000 1.080 72 R CA 1.001 57.007 56.100 -0.157 0.000 0.995 72 R CB -0.425 29.783 30.300 -0.153 0.000 0.875 72 R HN 0.553 nan 8.270 nan 0.000 0.462 73 S N -0.511 114.918 115.700 -0.452 0.000 2.461 73 S HA 0.111 4.581 4.470 -0.000 0.000 0.228 73 S C 0.758 174.791 174.600 -0.945 0.000 1.005 73 S CA 0.727 58.379 58.200 -0.912 0.000 0.942 73 S CB 0.592 62.689 63.200 -1.837 0.000 0.776 73 S HN 0.649 nan 8.310 nan 0.000 0.514 74 G N 1.261 109.781 108.800 -0.466 0.000 2.369 74 G HA2 0.138 4.098 3.960 -0.000 0.000 0.295 74 G HA3 0.138 4.098 3.960 -0.000 0.000 0.295 74 G C -1.350 173.702 174.900 0.254 0.000 1.298 74 G CA -0.623 44.445 45.100 -0.053 0.000 0.940 74 G HN 0.341 nan 8.290 nan 0.000 0.536 75 N N -0.721 118.164 118.700 0.308 0.000 2.566 75 N HA 0.446 5.186 4.740 -0.000 0.000 0.299 75 N C 1.094 176.811 175.510 0.345 0.000 1.277 75 N CA 0.091 53.307 53.050 0.277 0.000 0.965 75 N CB 0.871 39.465 38.487 0.178 0.000 1.142 75 N HN 0.786 nan 8.380 nan 0.000 0.596 76 E N -0.631 119.714 120.200 0.242 0.000 2.110 76 E HA -0.233 4.117 4.350 -0.000 0.000 0.193 76 E C 0.299 177.038 176.600 0.231 0.000 0.988 76 E CA 1.528 58.064 56.400 0.227 0.000 0.804 76 E CB -0.216 29.597 29.700 0.189 0.000 0.745 76 E HN 0.651 nan 8.360 nan 0.000 0.458 77 D N 0.214 120.729 120.400 0.192 0.000 2.117 77 D HA -0.149 4.491 4.640 -0.000 0.000 0.197 77 D C 1.730 178.127 176.300 0.162 0.000 0.987 77 D CA 1.345 55.437 54.000 0.154 0.000 0.829 77 D CB 0.023 40.898 40.800 0.125 0.000 0.961 77 D HN 0.269 nan 8.370 nan 0.000 0.460 78 E N -0.500 119.835 120.200 0.226 0.000 2.106 78 E HA -0.142 4.208 4.350 -0.000 0.000 0.192 78 E C 1.628 178.360 176.600 0.219 0.000 0.984 78 E CA 0.414 56.968 56.400 0.257 0.000 0.806 78 E CB -0.086 29.831 29.700 0.362 0.000 0.750 78 E HN 0.281 nan 8.360 nan 0.000 0.458 79 F N 1.559 121.525 119.950 0.026 0.000 2.113 79 F HA -0.127 4.400 4.527 -0.000 0.000 0.297 79 F C 2.177 177.818 175.800 -0.265 0.000 1.103 79 F CA 1.425 59.180 58.000 -0.409 0.000 1.248 79 F CB 0.112 38.815 39.000 -0.495 0.000 0.999 79 F HN -0.202 nan 8.300 nan 0.000 0.475 80 R N 0.187 120.690 120.500 0.006 0.000 2.081 80 R HA -0.209 4.131 4.340 -0.000 0.000 0.235 80 R C 2.282 178.510 176.300 -0.120 0.000 1.131 80 R CA 1.435 57.501 56.100 -0.058 0.000 0.960 80 R CB -0.926 29.413 30.300 0.064 0.000 0.856 80 R HN 0.438 nan 8.270 nan 0.000 0.436 81 N N 1.108 119.774 118.700 -0.056 0.000 2.120 81 N HA -0.211 4.529 4.740 -0.000 0.000 0.188 81 N C 1.877 177.320 175.510 -0.112 0.000 1.024 81 N CA 1.382 54.409 53.050 -0.040 0.000 0.852 81 N CB 0.009 38.507 38.487 0.019 0.000 1.003 81 N HN 0.229 nan 8.380 nan 0.000 0.424 82 M N 0.768 120.254 119.600 -0.190 0.000 2.086 82 M HA -0.127 4.353 4.480 -0.000 0.000 0.261 82 M C 1.882 177.962 176.300 -0.366 0.000 1.067 82 M CA 1.363 56.516 55.300 -0.244 0.000 1.116 82 M CB -0.088 32.341 32.600 -0.286 0.000 1.348 82 M HN -0.049 nan 8.290 nan 0.000 0.407 83 V N 0.643 120.232 119.914 -0.543 0.000 2.343 83 V HA -0.251 3.869 4.120 -0.000 0.000 0.247 83 V C 2.350 178.137 176.094 -0.512 0.000 1.051 83 V CA 2.350 64.305 62.300 -0.575 0.000 1.036 83 V CB -1.311 30.129 31.823 -0.638 0.000 0.654 83 V HN 0.587 nan 8.190 nan 0.000 0.451 84 T N -0.412 113.942 114.554 -0.333 0.000 2.708 84 T HA -0.194 4.156 4.350 -0.000 0.000 0.266 84 T C 2.109 176.721 174.700 -0.147 0.000 1.037 84 T CA 1.614 63.608 62.100 -0.177 0.000 1.146 84 T CB -0.227 68.696 68.868 0.091 0.000 0.865 84 T HN 0.392 nan 8.240 nan 0.000 0.435 85 R N -0.054 120.371 120.500 -0.125 0.000 2.092 85 R HA -0.010 4.330 4.340 -0.000 0.000 0.231 85 R C 2.761 178.979 176.300 -0.137 0.000 1.119 85 R CA 1.223 57.272 56.100 -0.086 0.000 0.970 85 R CB -0.601 29.665 30.300 -0.057 0.000 0.864 85 R HN 0.373 nan 8.270 nan 0.000 0.440 86 c N 0.478 118.948 118.600 -0.216 0.000 2.446 86 c HA 0.007 4.577 4.570 -0.000 0.000 0.277 86 c C 2.269 176.183 174.090 -0.292 0.000 1.275 86 c CA 0.386 56.581 56.329 -0.224 0.000 1.727 86 c CB -0.898 41.459 42.510 -0.254 0.000 2.010 86 c HN 0.506 nan 8.230 nan 0.000 0.486 87 N N 1.577 119.985 118.700 -0.486 0.000 2.166 87 N HA -0.085 4.655 4.740 -0.000 0.000 0.186 87 N C 1.309 176.573 175.510 -0.412 0.000 1.019 87 N CA 1.055 53.684 53.050 -0.702 0.000 0.856 87 N CB -0.609 36.920 38.487 -1.597 0.000 0.993 87 N HN 0.481 nan 8.380 nan 0.000 0.426 88 N N 0.220 118.808 118.700 -0.186 0.000 2.443 88 N HA -0.080 4.660 4.740 -0.000 0.000 0.184 88 N C 1.211 176.712 175.510 -0.015 0.000 1.037 88 N CA 0.522 53.597 53.050 0.041 0.000 0.896 88 N CB 0.134 38.677 38.487 0.093 0.000 0.959 88 N HN 0.246 nan 8.380 nan 0.000 0.442 89 V N -4.743 115.129 119.914 -0.069 0.000 3.214 89 V HA 0.558 4.678 4.120 -0.000 0.000 0.330 89 V C 1.119 177.177 176.094 -0.061 0.000 1.403 89 V CA 0.085 62.357 62.300 -0.046 0.000 1.143 89 V CB 0.007 31.811 31.823 -0.032 0.000 1.098 89 V HN 0.142 nan 8.190 nan 0.000 0.463 90 G N 0.387 109.125 108.800 -0.103 0.000 2.143 90 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.248 90 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.248 90 G C 0.000 174.846 174.900 -0.091 0.000 0.991 90 G CA 0.153 45.191 45.100 -0.103 0.000 0.689 90 G HN 0.916 nan 8.290 nan 0.000 0.522 91 V N 2.253 122.098 119.914 -0.116 0.000 2.347 91 V HA 0.566 4.686 4.120 -0.000 0.000 0.280 91 V C 0.619 176.616 176.094 -0.162 0.000 1.021 91 V CA -1.267 60.984 62.300 -0.082 0.000 0.847 91 V CB 1.353 33.144 31.823 -0.054 0.000 0.990 91 V HN 0.319 nan 8.190 nan 0.000 0.444 92 R N 4.122 124.543 120.500 -0.131 0.000 2.560 92 R HA 0.534 4.874 4.340 -0.000 0.000 0.270 92 R C -0.548 175.521 176.300 -0.385 0.000 1.074 92 R CA -0.694 55.236 56.100 -0.283 0.000 1.140 92 R CB 0.857 30.975 30.300 -0.304 0.000 1.073 92 R HN 0.424 nan 8.270 nan 0.000 0.527 93 I N 2.574 122.793 120.570 -0.584 0.000 2.436 93 I HA 0.284 4.454 4.170 -0.000 0.000 0.289 93 I C -0.744 174.949 176.117 -0.708 0.000 1.010 93 I CA -0.908 60.091 61.300 -0.501 0.000 1.098 93 I CB 1.203 38.937 38.000 -0.445 0.000 1.266 93 I HN 0.425 nan 8.210 nan 0.000 0.434 94 Y N 4.824 125.068 120.300 -0.094 0.000 2.341 94 Y HA 0.483 5.033 4.550 -0.000 0.000 0.338 94 Y C 0.230 176.124 175.900 -0.009 0.000 0.965 94 Y CA -0.925 57.128 58.100 -0.079 0.000 1.108 94 Y CB 1.891 40.387 38.460 0.060 0.000 1.180 94 Y HN 0.181 nan 8.280 nan 0.000 0.458 95 V N 2.977 122.913 119.914 0.036 0.000 2.509 95 V HA 0.107 4.227 4.120 -0.000 0.000 0.284 95 V C -0.128 176.127 176.094 0.269 0.000 1.047 95 V CA -0.755 61.645 62.300 0.166 0.000 0.952 95 V CB 1.475 33.395 31.823 0.162 0.000 0.988 95 V HN 0.663 nan 8.190 nan 0.000 0.469 96 D N 4.041 124.566 120.400 0.208 0.000 2.359 96 D HA 0.322 4.962 4.640 -0.000 0.000 0.250 96 D C 0.082 176.453 176.300 0.119 0.000 1.264 96 D CA -0.016 54.058 54.000 0.122 0.000 0.911 96 D CB 1.110 41.957 40.800 0.078 0.000 1.056 96 D HN 0.685 nan 8.370 nan 0.000 0.499 97 A N 4.170 127.063 122.820 0.122 0.000 2.279 97 A HA 0.385 4.705 4.320 -0.000 0.000 0.306 97 A C -0.089 177.493 177.584 -0.003 0.000 1.300 97 A CA -0.675 51.418 52.037 0.092 0.000 0.925 97 A CB 0.612 19.601 19.000 -0.018 0.000 1.152 97 A HN 0.371 nan 8.150 nan 0.000 0.544 98 V N 5.498 125.393 119.914 -0.031 0.000 2.284 98 V HA 0.154 4.274 4.120 -0.000 0.000 0.260 98 V C 0.865 176.864 176.094 -0.158 0.000 1.084 98 V CA 0.317 62.526 62.300 -0.153 0.000 0.894 98 V CB -0.490 31.200 31.823 -0.221 0.000 1.119 98 V HN 0.871 nan 8.190 nan 0.000 0.484 99 I N 0.532 121.010 120.570 -0.153 0.000 4.154 99 I HA 0.349 4.519 4.170 -0.000 0.000 0.334 99 I C 1.465 177.502 176.117 -0.133 0.000 1.371 99 I CA 0.210 61.444 61.300 -0.110 0.000 1.110 99 I CB 0.160 38.109 38.000 -0.086 0.000 1.085 99 I HN 0.465 nan 8.210 nan 0.000 0.398 100 N N 1.556 120.138 118.700 -0.197 0.000 2.416 100 N HA -0.049 4.691 4.740 -0.000 0.000 0.177 100 N C 0.484 175.987 175.510 -0.011 0.000 1.036 100 N CA 0.845 53.870 53.050 -0.042 0.000 0.901 100 N CB 0.199 38.773 38.487 0.145 0.000 0.976 100 N HN 0.693 nan 8.380 nan 0.000 0.444 101 H N -3.776 115.292 119.070 -0.004 0.000 2.918 101 H HA 0.274 4.830 4.556 0.000 0.000 0.303 101 H C -0.640 174.661 175.328 -0.045 0.000 1.380 101 H CA -0.904 55.137 56.048 -0.010 0.000 1.134 101 H CB 0.387 30.146 29.762 -0.004 0.000 1.842 101 H HN -0.193 nan 8.280 nan 0.000 0.533 102 M N 0.808 120.476 119.600 0.113 0.000 2.391 102 M HA 0.328 4.808 4.480 -0.000 0.000 0.228 102 M C 1.023 177.378 176.300 0.093 0.000 0.847 102 M CA -0.432 54.822 55.300 -0.078 0.000 1.605 102 M CB 0.220 32.527 32.600 -0.487 0.000 1.220 102 M HN 0.880 nan 8.290 nan 0.000 0.822 103 C N -0.114 119.230 119.300 0.073 0.000 2.480 103 C HA 0.769 5.229 4.460 -0.000 0.000 0.344 103 C C 1.030 176.083 174.990 0.105 0.000 1.380 103 C CA -1.000 58.093 59.018 0.124 0.000 2.386 103 C CB -0.698 27.125 27.740 0.138 0.000 2.210 103 C HN 0.850 nan 8.230 nan 0.000 0.640 104 G N 1.584 110.428 108.800 0.073 0.000 2.414 104 G HA2 0.138 4.098 3.960 -0.000 0.000 0.236 104 G HA3 0.138 4.098 3.960 -0.000 0.000 0.236 104 G C 0.940 175.859 174.900 0.032 0.000 1.293 104 G CA 0.255 45.366 45.100 0.020 0.000 0.869 104 G HN 1.046 nan 8.290 nan 0.000 0.556 105 N N 1.502 120.192 118.700 -0.017 0.000 2.453 105 N HA -0.089 4.651 4.740 -0.000 0.000 0.183 105 N C 1.627 177.117 175.510 -0.033 0.000 1.041 105 N CA 0.999 54.027 53.050 -0.037 0.000 0.900 105 N CB 0.098 38.545 38.487 -0.067 0.000 0.961 105 N HN 0.430 nan 8.380 nan 0.000 0.443 106 A N 0.704 123.512 122.820 -0.020 0.000 2.267 106 A HA 0.280 4.600 4.320 -0.000 0.000 0.213 106 A C 0.861 178.439 177.584 -0.010 0.000 1.192 106 A CA -0.324 51.699 52.037 -0.023 0.000 0.851 106 A CB 0.124 19.110 19.000 -0.024 0.000 0.881 106 A HN 0.095 nan 8.150 nan 0.000 0.494 107 V N 1.676 121.605 119.914 0.025 0.000 2.788 107 V HA 0.027 4.147 4.120 -0.000 0.000 0.307 107 V C 0.828 176.904 176.094 -0.030 0.000 1.069 107 V CA 0.135 62.466 62.300 0.053 0.000 1.173 107 V CB 1.004 32.933 31.823 0.176 0.000 0.925 107 V HN 0.425 nan 8.190 nan 0.000 0.492 108 S N 3.424 119.089 115.700 -0.058 0.000 2.549 108 S HA 0.437 4.907 4.470 -0.000 0.000 0.283 108 S C 0.463 174.854 174.600 -0.348 0.000 1.320 108 S CA -0.182 57.930 58.200 -0.147 0.000 1.058 108 S CB 0.932 64.074 63.200 -0.096 0.000 0.882 108 S HN 1.068 nan 8.310 nan 0.000 0.498 109 A N 2.524 125.104 122.820 -0.399 0.000 2.445 109 A HA 0.704 5.024 4.320 -0.000 0.000 0.242 109 A C 0.978 178.215 177.584 -0.579 0.000 1.075 109 A CA 0.434 52.076 52.037 -0.658 0.000 0.777 109 A CB -0.270 18.469 19.000 -0.435 0.000 1.013 109 A HN 1.279 nan 8.150 nan 0.000 0.493 110 G N -0.578 107.727 108.800 -0.824 0.000 2.373 110 G HA2 0.390 4.350 3.960 -0.000 0.000 0.250 110 G HA3 0.390 4.350 3.960 -0.000 0.000 0.250 110 G C 0.015 174.758 174.900 -0.262 0.000 1.304 110 G CA 0.538 45.440 45.100 -0.329 0.000 0.948 110 G HN 1.670 nan 8.290 nan 0.000 0.474 111 T N -2.264 112.303 114.554 0.022 0.000 3.331 111 T HA 0.516 4.866 4.350 -0.000 0.000 0.282 111 T C 0.722 175.561 174.700 0.232 0.000 1.010 111 T CA 0.921 63.131 62.100 0.184 0.000 0.928 111 T CB 0.726 69.698 68.868 0.173 0.000 1.154 111 T HN 1.024 nan 8.240 nan 0.000 0.516 112 S N 2.914 118.780 115.700 0.276 0.000 4.183 112 S HA 0.435 4.905 4.470 -0.000 0.000 0.195 112 S C 0.308 175.091 174.600 0.305 0.000 1.421 112 S CA -0.556 57.816 58.200 0.286 0.000 0.920 112 S CB -0.978 62.380 63.200 0.264 0.000 1.525 112 S HN 0.757 nan 8.310 nan 0.000 0.447 113 S N 0.799 116.624 115.700 0.207 0.000 2.634 113 S HA 0.383 4.853 4.470 -0.000 0.000 0.296 113 S C 1.181 175.798 174.600 0.028 0.000 1.104 113 S CA -0.415 57.813 58.200 0.047 0.000 0.920 113 S CB 0.977 64.170 63.200 -0.012 0.000 1.111 113 S HN 0.454 nan 8.310 nan 0.000 0.493 114 T N -2.771 111.769 114.554 -0.025 0.000 3.052 114 T HA -0.078 4.272 4.350 -0.000 0.000 0.270 114 T C 1.100 175.810 174.700 0.017 0.000 1.147 114 T CA 0.792 62.884 62.100 -0.014 0.000 1.089 114 T CB -1.535 67.312 68.868 -0.034 0.000 0.875 114 T HN 1.490 nan 8.240 nan 0.000 0.541 115 c N -1.220 117.399 118.600 0.032 0.000 2.945 115 c HA 0.811 5.381 4.570 -0.000 0.000 0.216 115 c C 1.517 175.646 174.090 0.065 0.000 1.319 115 c CA -0.967 55.391 56.329 0.049 0.000 1.036 115 c CB -0.604 41.934 42.510 0.047 0.000 1.871 115 c HN 0.845 nan 8.230 nan 0.000 0.660 116 G N 1.694 110.545 108.800 0.086 0.000 2.205 116 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.269 116 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.269 116 G C 0.294 175.278 174.900 0.141 0.000 0.977 116 G CA 0.653 45.819 45.100 0.111 0.000 0.652 116 G HN 1.119 nan 8.290 nan 0.000 0.539 117 S N -0.134 115.642 115.700 0.127 0.000 2.537 117 S HA 0.352 4.822 4.470 -0.000 0.000 0.286 117 S C 0.091 174.856 174.600 0.275 0.000 1.299 117 S CA -0.311 57.983 58.200 0.156 0.000 1.067 117 S CB 0.530 63.781 63.200 0.085 0.000 0.864 117 S HN 0.527 nan 8.310 nan 0.000 0.494 118 Y N 4.891 125.280 120.300 0.149 0.000 2.304 118 Y HA 0.523 5.073 4.550 0.000 0.000 0.327 118 Y C -0.414 175.619 175.900 0.222 0.000 1.209 118 Y CA -0.741 57.443 58.100 0.141 0.000 1.299 118 Y CB 0.348 38.823 38.460 0.025 0.000 1.249 118 Y HN 0.572 nan 8.280 nan 0.000 0.519 119 F N 3.302 122.622 119.950 -1.051 0.000 2.665 119 F HA 0.433 4.960 4.527 -0.000 0.000 0.308 119 F C -2.017 173.124 175.800 -1.098 0.000 1.112 119 F CA -1.481 55.957 58.000 -0.937 0.000 0.972 119 F CB 1.198 39.873 39.000 -0.541 0.000 1.295 119 F HN 0.410 nan 8.300 nan 0.000 0.440 120 N N 3.287 121.430 118.700 -0.928 0.000 2.648 120 N HA 0.437 5.177 4.740 -0.000 0.000 0.261 120 N C -2.535 172.649 175.510 -0.543 0.000 1.138 120 N CA -2.374 50.262 53.050 -0.690 0.000 0.804 120 N CB 1.900 40.141 38.487 -0.409 0.000 1.237 120 N HN 0.280 nan 8.380 nan 0.000 0.532 121 P HA -0.026 nan 4.420 nan 0.000 0.215 121 P C 1.336 178.522 177.300 -0.189 0.000 1.153 121 P CA 1.131 64.103 63.100 -0.213 0.000 0.853 121 P CB 0.199 31.882 31.700 -0.029 0.000 0.788 122 G N 0.075 108.769 108.800 -0.177 0.000 2.469 122 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.219 122 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.219 122 G C 1.461 176.289 174.900 -0.121 0.000 1.150 122 G CA 1.442 46.465 45.100 -0.129 0.000 0.763 122 G HN 0.454 nan 8.290 nan 0.000 0.561 123 S N -1.202 114.415 115.700 -0.139 0.000 2.577 123 S HA 0.332 4.802 4.470 -0.000 0.000 0.219 123 S C 1.051 175.582 174.600 -0.114 0.000 0.962 123 S CA 0.120 58.258 58.200 -0.103 0.000 0.921 123 S CB 0.380 63.534 63.200 -0.077 0.000 0.789 123 S HN 0.208 nan 8.310 nan 0.000 0.497 124 R N 0.539 120.940 120.500 -0.165 0.000 3.651 124 R HA -0.140 4.200 4.340 -0.000 0.000 0.292 124 R C -1.247 175.082 176.300 0.048 0.000 1.161 124 R CA 0.807 56.833 56.100 -0.122 0.000 0.787 124 R CB -2.762 27.483 30.300 -0.092 0.000 1.249 124 R HN 0.632 nan 8.270 nan 0.000 0.476 125 D N -0.481 119.815 120.400 -0.173 0.000 2.392 125 D HA 0.397 5.037 4.640 -0.000 0.000 0.228 125 D C -0.710 175.405 176.300 -0.309 0.000 1.074 125 D CA -0.197 53.743 54.000 -0.099 0.000 0.838 125 D CB 0.366 41.123 40.800 -0.071 0.000 1.067 125 D HN 0.080 nan 8.370 nan 0.000 0.511 126 F N 5.047 125.096 119.950 0.165 0.000 2.531 126 F HA 0.280 4.807 4.527 -0.000 0.000 0.333 126 F C -1.440 174.421 175.800 0.101 0.000 1.292 126 F CA -1.561 56.532 58.000 0.154 0.000 1.184 126 F CB 1.627 40.763 39.000 0.225 0.000 1.426 126 F HN 0.308 nan 8.300 nan 0.000 0.559 127 P HA -0.227 nan 4.420 nan 0.000 0.220 127 P C 1.327 178.692 177.300 0.108 0.000 1.144 127 P CA 1.330 64.522 63.100 0.153 0.000 0.800 127 P CB 0.294 32.096 31.700 0.171 0.000 0.772 128 A N -0.868 122.015 122.820 0.104 0.000 2.206 128 A HA 0.077 4.397 4.320 -0.000 0.000 0.211 128 A C 2.178 179.739 177.584 -0.039 0.000 1.158 128 A CA 0.662 52.722 52.037 0.040 0.000 0.761 128 A CB -0.928 18.094 19.000 0.037 0.000 0.801 128 A HN 0.083 nan 8.150 nan 0.000 0.473 129 V N 0.443 120.305 119.914 -0.086 0.000 2.391 129 V HA 0.059 4.179 4.120 -0.000 0.000 0.237 129 V C -1.617 174.392 176.094 -0.141 0.000 1.046 129 V CA 1.043 63.195 62.300 -0.247 0.000 1.053 129 V CB -0.740 30.687 31.823 -0.660 0.000 0.704 129 V HN 0.453 nan 8.190 nan 0.000 0.475 130 P HA 0.436 nan 4.420 nan 0.000 0.290 130 P C -1.900 175.426 177.300 0.044 0.000 1.283 130 P CA -0.318 62.788 63.100 0.010 0.000 0.869 130 P CB 1.440 33.196 31.700 0.094 0.000 1.100 131 Y N -0.365 120.064 120.300 0.215 0.000 2.499 131 Y HA 0.540 5.090 4.550 0.000 0.000 0.347 131 Y C 0.873 176.878 175.900 0.174 0.000 0.987 131 Y CA -0.515 57.697 58.100 0.186 0.000 1.044 131 Y CB 2.322 40.858 38.460 0.127 0.000 1.245 131 Y HN 0.513 nan 8.280 nan 0.000 0.461 132 S N -0.645 115.150 115.700 0.159 0.000 2.811 132 S HA 0.607 5.077 4.470 -0.000 0.000 0.311 132 S C 1.081 175.600 174.600 -0.134 0.000 1.152 132 S CA -0.246 57.868 58.200 -0.142 0.000 0.864 132 S CB 1.199 63.999 63.200 -0.666 0.000 1.226 132 S HN 0.826 nan 8.310 nan 0.000 0.541 133 G N 0.293 108.891 108.800 -0.337 0.000 2.469 133 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.220 133 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.220 133 G C 0.941 175.897 174.900 0.092 0.000 1.136 133 G CA 0.979 46.048 45.100 -0.053 0.000 0.759 133 G HN 0.948 nan 8.290 nan 0.000 0.562 134 W N 0.244 121.651 121.300 0.179 0.000 3.377 134 W HA 0.457 5.116 4.660 -0.000 0.000 0.277 134 W C 0.267 176.827 176.519 0.067 0.000 1.311 134 W CA -0.179 57.233 57.345 0.112 0.000 1.703 134 W CB 0.093 29.593 29.460 0.066 0.000 1.095 134 W HN -0.034 nan 8.180 nan 0.000 0.715 135 D N -0.029 120.381 120.400 0.017 0.000 2.363 135 D HA 0.110 4.750 4.640 -0.000 0.000 0.214 135 D C -0.422 175.521 176.300 -0.594 0.000 1.093 135 D CA 0.197 54.061 54.000 -0.227 0.000 0.837 135 D CB -0.019 40.574 40.800 -0.345 0.000 0.948 135 D HN 0.082 nan 8.370 nan 0.000 0.507 136 F N 0.146 120.091 119.950 -0.007 0.000 2.594 136 F HA 0.335 4.862 4.527 0.000 0.000 0.335 136 F C 1.352 177.171 175.800 0.032 0.000 1.058 136 F CA -1.035 56.952 58.000 -0.022 0.000 0.981 136 F CB 0.842 39.828 39.000 -0.023 0.000 1.289 136 F HN -0.380 nan 8.300 nan 0.000 0.490 137 N N 0.870 119.707 118.700 0.228 0.000 2.322 137 N HA -0.014 4.725 4.740 -0.000 0.000 0.216 137 N C 0.644 176.236 175.510 0.137 0.000 1.144 137 N CA 0.275 53.418 53.050 0.155 0.000 0.830 137 N CB -0.264 38.303 38.487 0.135 0.000 1.034 137 N HN 0.535 nan 8.380 nan 0.000 0.484 138 D N 0.336 120.826 120.400 0.150 0.000 2.133 138 D HA -0.141 4.499 4.640 -0.000 0.000 0.195 138 D C 1.756 178.107 176.300 0.086 0.000 0.997 138 D CA 1.224 55.284 54.000 0.099 0.000 0.840 138 D CB -0.197 40.657 40.800 0.091 0.000 0.947 138 D HN 0.345 nan 8.370 nan 0.000 0.452 139 G N 0.019 108.879 108.800 0.100 0.000 2.813 139 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.209 139 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.209 139 G C 1.549 176.493 174.900 0.074 0.000 1.150 139 G CA 0.105 45.254 45.100 0.082 0.000 0.785 139 G HN 0.213 nan 8.290 nan 0.000 0.535 140 K N -0.599 119.851 120.400 0.084 0.000 2.202 140 K HA 0.086 4.406 4.320 -0.000 0.000 0.201 140 K C 1.008 177.655 176.600 0.079 0.000 1.051 140 K CA -0.168 56.168 56.287 0.083 0.000 0.977 140 K CB -0.045 32.517 32.500 0.103 0.000 0.792 140 K HN 0.220 nan 8.250 nan 0.000 0.469 141 c N 3.396 122.041 118.600 0.074 0.000 2.642 141 c HA 0.104 4.674 4.570 -0.000 0.000 0.420 141 c C 1.121 175.237 174.090 0.044 0.000 1.349 141 c CA -0.265 56.099 56.329 0.057 0.000 1.821 141 c CB 0.285 42.821 42.510 0.043 0.000 2.637 141 c HN 0.444 nan 8.230 nan 0.000 0.605 142 K N 3.501 123.923 120.400 0.037 0.000 2.387 142 K HA 0.153 4.473 4.320 -0.000 0.000 0.203 142 K C 0.485 177.096 176.600 0.017 0.000 1.030 142 K CA 0.163 56.467 56.287 0.029 0.000 1.099 142 K CB -1.230 31.290 32.500 0.034 0.000 0.863 142 K HN 0.786 nan 8.250 nan 0.000 0.529 143 T N -2.643 111.917 114.554 0.010 0.000 2.882 143 T HA 0.439 4.789 4.350 -0.000 0.000 0.287 143 T C 1.421 176.122 174.700 0.002 0.000 1.014 143 T CA -0.117 61.983 62.100 0.001 0.000 1.049 143 T CB 1.639 70.501 68.868 -0.011 0.000 1.001 143 T HN 0.122 nan 8.240 nan 0.000 0.525 144 G N 0.498 109.298 108.800 -0.000 0.000 2.422 144 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.218 144 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.218 144 G C 1.667 176.565 174.900 -0.004 0.000 1.140 144 G CA 0.762 45.862 45.100 -0.000 0.000 0.775 144 G HN 0.937 nan 8.290 nan 0.000 0.545 145 S N -1.055 114.640 115.700 -0.009 0.000 2.478 145 S HA 0.360 4.830 4.470 -0.000 0.000 0.222 145 S C 1.991 176.581 174.600 -0.017 0.000 1.008 145 S CA 1.034 59.225 58.200 -0.014 0.000 0.928 145 S CB 0.087 63.276 63.200 -0.019 0.000 0.781 145 S HN 1.485 nan 8.310 nan 0.000 0.518 146 G N 0.761 109.552 108.800 -0.013 0.000 2.217 146 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.246 146 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.246 146 G C -0.327 174.558 174.900 -0.024 0.000 0.990 146 G CA 0.281 45.374 45.100 -0.012 0.000 0.627 146 G HN 0.566 nan 8.290 nan 0.000 0.522 147 D N -0.145 120.234 120.400 -0.035 0.000 2.385 147 D HA 0.593 5.233 4.640 -0.000 0.000 0.254 147 D C 0.954 177.217 176.300 -0.062 0.000 1.053 147 D CA -0.644 53.324 54.000 -0.054 0.000 0.992 147 D CB 0.865 41.631 40.800 -0.057 0.000 1.145 147 D HN 0.231 nan 8.370 nan 0.000 0.523 148 I N 1.233 121.748 120.570 -0.091 0.000 2.517 148 I HA -0.018 4.152 4.170 -0.000 0.000 0.285 148 I C 1.309 177.373 176.117 -0.088 0.000 1.106 148 I CA 0.638 61.858 61.300 -0.132 0.000 1.402 148 I CB 0.467 38.328 38.000 -0.233 0.000 1.399 148 I HN 0.314 nan 8.210 nan 0.000 0.535 149 E N 3.413 123.569 120.200 -0.072 0.000 2.399 149 E HA 0.091 4.441 4.350 -0.000 0.000 0.205 149 E C -0.004 176.604 176.600 0.015 0.000 0.906 149 E CA 0.072 56.462 56.400 -0.017 0.000 0.998 149 E CB 0.518 30.211 29.700 -0.013 0.000 1.002 149 E HN 0.489 nan 8.360 nan 0.000 0.501 150 N N -0.447 118.239 118.700 -0.024 0.000 2.500 150 N HA 0.086 4.826 4.740 -0.000 0.000 0.291 150 N C -0.976 174.524 175.510 -0.015 0.000 1.092 150 N CA -0.339 52.730 53.050 0.032 0.000 0.890 150 N CB 0.656 39.155 38.487 0.021 0.000 1.466 150 N HN -0.112 nan 8.380 nan 0.000 0.507 151 Y N 1.845 122.141 120.300 -0.006 0.000 2.632 151 Y HA 0.114 4.664 4.550 -0.000 0.000 0.301 151 Y C 1.321 177.209 175.900 -0.019 0.000 1.172 151 Y CA 0.510 58.601 58.100 -0.015 0.000 1.328 151 Y CB -0.002 38.446 38.460 -0.020 0.000 1.016 151 Y HN 0.582 nan 8.280 nan 0.000 0.529 152 N N -0.377 118.381 118.700 0.096 0.000 2.398 152 N HA -0.069 4.671 4.740 -0.000 0.000 0.188 152 N C -0.444 175.080 175.510 0.024 0.000 1.122 152 N CA 0.334 53.417 53.050 0.056 0.000 0.866 152 N CB 0.198 38.714 38.487 0.047 0.000 0.970 152 N HN 0.079 nan 8.380 nan 0.000 0.462 153 D N -0.246 120.154 120.400 -0.001 0.000 2.472 153 D HA 0.316 4.956 4.640 -0.000 0.000 0.234 153 D C 0.694 176.969 176.300 -0.041 0.000 1.088 153 D CA -0.525 53.469 54.000 -0.010 0.000 0.882 153 D CB 0.787 41.580 40.800 -0.011 0.000 1.037 153 D HN 0.077 nan 8.370 nan 0.000 0.520 154 A N 2.852 125.657 122.820 -0.026 0.000 2.032 154 A HA -0.168 4.152 4.320 -0.000 0.000 0.221 154 A C 1.946 179.458 177.584 -0.119 0.000 1.165 154 A CA 1.817 53.807 52.037 -0.079 0.000 0.645 154 A CB -0.423 18.560 19.000 -0.028 0.000 0.807 154 A HN 0.579 nan 8.150 nan 0.000 0.453 155 T N 0.275 114.845 114.554 0.026 0.000 2.770 155 T HA -0.157 4.193 4.350 -0.000 0.000 0.263 155 T C 2.121 176.845 174.700 0.039 0.000 1.039 155 T CA 1.566 63.751 62.100 0.141 0.000 1.142 155 T CB -0.317 68.676 68.868 0.209 0.000 0.868 155 T HN 0.882 nan 8.240 nan 0.000 0.435 156 Q N 1.075 120.869 119.800 -0.010 0.000 2.224 156 Q HA -0.024 4.316 4.340 -0.000 0.000 0.203 156 Q C 2.093 178.028 176.000 -0.110 0.000 0.970 156 Q CA 1.066 56.845 55.803 -0.039 0.000 0.865 156 Q CB -0.689 28.020 28.738 -0.049 0.000 0.922 156 Q HN 0.299 nan 8.270 nan 0.000 0.445 157 V N 0.862 120.664 119.914 -0.187 0.000 2.594 157 V HA -0.216 3.904 4.120 -0.000 0.000 0.253 157 V C 2.024 178.035 176.094 -0.138 0.000 1.069 157 V CA 2.078 64.234 62.300 -0.239 0.000 1.082 157 V CB -0.420 31.205 31.823 -0.331 0.000 0.680 157 V HN 0.301 nan 8.190 nan 0.000 0.469 158 R N -0.557 119.790 120.500 -0.254 0.000 2.175 158 R HA 0.083 4.423 4.340 -0.000 0.000 0.202 158 R C 1.564 177.828 176.300 -0.060 0.000 1.018 158 R CA 0.660 56.570 56.100 -0.317 0.000 1.029 158 R CB -0.102 29.574 30.300 -1.039 0.000 0.959 158 R HN 0.420 nan 8.270 nan 0.000 0.480 159 D N -1.177 119.246 120.400 0.038 0.000 2.367 159 D HA 0.107 4.747 4.640 -0.000 0.000 0.207 159 D C 0.033 176.376 176.300 0.071 0.000 1.034 159 D CA 0.284 54.359 54.000 0.125 0.000 0.861 159 D CB 0.309 41.222 40.800 0.188 0.000 0.943 159 D HN 0.083 nan 8.370 nan 0.000 0.515 160 c N 0.598 119.210 118.600 0.021 0.000 2.354 160 c HA 0.496 5.066 4.570 -0.000 0.000 0.381 160 c C 0.649 174.722 174.090 -0.028 0.000 1.240 160 c CA -0.978 55.350 56.329 -0.002 0.000 2.089 160 c CB 1.316 43.809 42.510 -0.028 0.000 2.234 160 c HN 0.055 nan 8.230 nan 0.000 0.544 161 R N 1.102 121.574 120.500 -0.046 0.000 2.267 161 R HA 0.350 4.690 4.340 -0.000 0.000 0.319 161 R C -0.649 175.562 176.300 -0.148 0.000 1.067 161 R CA -0.430 55.621 56.100 -0.083 0.000 0.936 161 R CB 0.306 30.565 30.300 -0.069 0.000 1.006 161 R HN 0.497 nan 8.270 nan 0.000 0.452 162 L N 4.548 125.627 121.223 -0.240 0.000 2.456 162 L HA -0.002 4.338 4.340 -0.000 0.000 0.277 162 L C 0.249 176.968 176.870 -0.252 0.000 1.124 162 L CA 0.734 55.383 54.840 -0.318 0.000 0.880 162 L CB 0.327 42.048 42.059 -0.562 0.000 1.192 162 L HN 0.931 nan 8.230 nan 0.000 0.463 163 T N 1.681 116.131 114.554 -0.174 0.000 3.708 163 T HA -0.195 4.155 4.350 -0.000 0.000 0.375 163 T C 1.132 175.736 174.700 -0.161 0.000 0.763 163 T CA 1.039 63.044 62.100 -0.159 0.000 1.915 163 T CB -2.573 66.180 68.868 -0.192 0.000 1.783 163 T HN 2.244 nan 8.240 nan 0.000 0.734 164 G N -1.180 107.540 108.800 -0.133 0.000 2.184 164 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.264 164 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.264 164 G C 0.065 174.898 174.900 -0.111 0.000 0.975 164 G CA -0.023 45.012 45.100 -0.108 0.000 0.642 164 G HN 0.871 nan 8.290 nan 0.000 0.536 165 L N 1.245 122.369 121.223 -0.166 0.000 2.477 165 L HA 0.346 4.686 4.340 -0.000 0.000 0.272 165 L C 1.373 178.205 176.870 -0.063 0.000 1.157 165 L CA -0.239 54.505 54.840 -0.160 0.000 0.889 165 L CB 0.384 42.178 42.059 -0.443 0.000 1.158 165 L HN 0.215 nan 8.230 nan 0.000 0.473 166 L N 3.785 124.999 121.223 -0.015 0.000 2.660 166 L HA -0.087 4.253 4.340 -0.000 0.000 0.272 166 L C 0.418 177.404 176.870 0.194 0.000 1.194 166 L CA 0.235 55.067 54.840 -0.013 0.000 0.945 166 L CB -0.145 41.760 42.059 -0.257 0.000 1.212 166 L HN 0.551 nan 8.230 nan 0.000 0.490 167 D N 3.905 124.431 120.400 0.210 0.000 2.316 167 D HA 0.316 4.956 4.640 -0.000 0.000 0.245 167 D C -0.240 176.199 176.300 0.233 0.000 1.171 167 D CA -0.264 53.859 54.000 0.205 0.000 0.856 167 D CB 0.764 41.637 40.800 0.121 0.000 1.090 167 D HN 0.252 nan 8.370 nan 0.000 0.476 168 L N 2.495 123.749 121.223 0.052 0.000 2.426 168 L HA 0.282 4.622 4.340 -0.000 0.000 0.271 168 L C 0.696 177.497 176.870 -0.115 0.000 1.169 168 L CA -0.676 54.020 54.840 -0.240 0.000 0.836 168 L CB 0.876 42.726 42.059 -0.347 0.000 1.112 168 L HN 0.483 nan 8.230 nan 0.000 0.465 169 A N 5.175 127.897 122.820 -0.164 0.000 2.990 169 A HA 0.269 4.589 4.320 -0.000 0.000 0.282 169 A C 1.087 178.664 177.584 -0.012 0.000 1.688 169 A CA -0.332 51.689 52.037 -0.026 0.000 1.391 169 A CB -0.537 18.465 19.000 0.003 0.000 1.112 169 A HN 0.834 nan 8.150 nan 0.000 0.588 170 L N 0.907 122.145 121.223 0.024 0.000 2.642 170 L HA -0.115 4.225 4.340 -0.000 0.000 0.236 170 L C 2.479 179.381 176.870 0.054 0.000 1.169 170 L CA 1.076 55.938 54.840 0.036 0.000 0.851 170 L CB -0.222 41.881 42.059 0.073 0.000 0.968 170 L HN 0.870 nan 8.230 nan 0.000 0.453 171 E N 0.982 121.216 120.200 0.057 0.000 2.442 171 E HA -0.063 4.287 4.350 -0.000 0.000 0.195 171 E C 0.302 176.923 176.600 0.035 0.000 1.030 171 E CA 0.092 56.512 56.400 0.035 0.000 0.869 171 E CB 0.165 29.871 29.700 0.009 0.000 0.857 171 E HN 0.366 nan 8.360 nan 0.000 0.505 172 K N 1.633 122.064 120.400 0.052 0.000 2.322 172 K HA 0.030 4.350 4.320 -0.000 0.000 0.283 172 K C 0.156 176.807 176.600 0.085 0.000 1.042 172 K CA 0.122 56.458 56.287 0.082 0.000 0.958 172 K CB 1.146 33.723 32.500 0.129 0.000 0.984 172 K HN -0.073 nan 8.250 nan 0.000 0.473 173 D N 1.945 122.398 120.400 0.089 0.000 2.178 173 D HA -0.235 4.405 4.640 -0.000 0.000 0.201 173 D C 1.472 177.833 176.300 0.102 0.000 0.980 173 D CA 1.350 55.396 54.000 0.075 0.000 0.842 173 D CB 0.066 40.909 40.800 0.071 0.000 0.948 173 D HN 0.623 nan 8.370 nan 0.000 0.472 174 Y N 0.326 120.661 120.300 0.058 0.000 2.145 174 Y HA -0.178 4.372 4.550 -0.000 0.000 0.286 174 Y C 2.048 178.009 175.900 0.102 0.000 1.145 174 Y CA 1.381 59.530 58.100 0.082 0.000 1.148 174 Y CB -0.503 38.026 38.460 0.115 0.000 0.981 174 Y HN -0.078 nan 8.280 nan 0.000 0.507 175 V N 0.743 120.682 119.914 0.043 0.000 2.358 175 V HA -0.287 3.833 4.120 -0.000 0.000 0.246 175 V C 2.405 178.460 176.094 -0.066 0.000 1.047 175 V CA 2.227 64.521 62.300 -0.010 0.000 1.035 175 V CB -0.621 31.203 31.823 0.003 0.000 0.658 175 V HN 0.321 nan 8.190 nan 0.000 0.452 176 R N -0.066 120.407 120.500 -0.046 0.000 2.096 176 R HA -0.131 4.209 4.340 -0.000 0.000 0.235 176 R C 2.561 178.801 176.300 -0.099 0.000 1.127 176 R CA 1.709 57.775 56.100 -0.057 0.000 0.968 176 R CB -0.404 29.881 30.300 -0.025 0.000 0.861 176 R HN 0.449 nan 8.270 nan 0.000 0.440 177 S N 0.388 116.016 115.700 -0.121 0.000 2.387 177 S HA -0.039 4.431 4.470 -0.000 0.000 0.226 177 S C 1.621 176.102 174.600 -0.198 0.000 1.026 177 S CA 0.892 59.010 58.200 -0.137 0.000 0.972 177 S CB 0.074 63.211 63.200 -0.105 0.000 0.814 177 S HN 0.161 nan 8.310 nan 0.000 0.477 178 K N 1.422 121.645 120.400 -0.295 0.000 2.097 178 K HA 0.144 4.464 4.320 -0.000 0.000 0.205 178 K C 1.845 178.295 176.600 -0.250 0.000 1.050 178 K CA 0.828 56.945 56.287 -0.283 0.000 0.938 178 K CB -0.585 31.689 32.500 -0.376 0.000 0.718 178 K HN 0.395 nan 8.250 nan 0.000 0.442 179 I N 0.792 121.232 120.570 -0.217 0.000 2.353 179 I HA -0.207 3.963 4.170 -0.000 0.000 0.248 179 I C 2.285 178.247 176.117 -0.257 0.000 1.119 179 I CA 0.935 62.063 61.300 -0.287 0.000 1.417 179 I CB -0.252 37.642 38.000 -0.177 0.000 1.078 179 I HN 0.015 nan 8.210 nan 0.000 0.421 180 A N 0.166 122.860 122.820 -0.210 0.000 1.930 180 A HA -0.250 4.070 4.320 -0.000 0.000 0.217 180 A C 2.288 179.746 177.584 -0.210 0.000 1.175 180 A CA 1.727 53.637 52.037 -0.212 0.000 0.627 180 A CB -0.583 18.324 19.000 -0.156 0.000 0.815 180 A HN 0.486 nan 8.150 nan 0.000 0.443 181 E N -1.392 118.707 120.200 -0.168 0.000 2.085 181 E HA -0.260 4.089 4.350 -0.000 0.000 0.194 181 E C 1.826 178.374 176.600 -0.087 0.000 0.994 181 E CA 1.645 57.972 56.400 -0.122 0.000 0.801 181 E CB -0.339 29.299 29.700 -0.102 0.000 0.743 181 E HN 0.723 nan 8.360 nan 0.000 0.453 182 Y N 0.825 120.949 120.300 -0.292 0.000 2.163 182 Y HA -0.139 4.411 4.550 -0.000 0.000 0.288 182 Y C 2.036 177.829 175.900 -0.178 0.000 1.136 182 Y CA 1.895 59.825 58.100 -0.282 0.000 1.147 182 Y CB -0.341 37.722 38.460 -0.662 0.000 0.987 182 Y HN 0.016 nan 8.280 nan 0.000 0.509 183 M N 0.098 119.388 119.600 -0.517 0.000 2.229 183 M HA -0.191 4.289 4.480 -0.000 0.000 0.264 183 M C 1.645 177.803 176.300 -0.236 0.000 1.063 183 M CA 1.450 56.407 55.300 -0.571 0.000 1.114 183 M CB -0.379 31.776 32.600 -0.741 0.000 1.387 183 M HN 0.227 nan 8.290 nan 0.000 0.420 184 N N -0.369 118.177 118.700 -0.257 0.000 2.270 184 N HA -0.150 4.590 4.740 -0.000 0.000 0.181 184 N C 1.579 177.030 175.510 -0.099 0.000 1.016 184 N CA 1.008 53.870 53.050 -0.313 0.000 0.870 184 N CB -0.558 37.547 38.487 -0.637 0.000 0.979 184 N HN 0.521 nan 8.380 nan 0.000 0.431 185 H N 0.705 119.692 119.070 -0.139 0.000 2.353 185 H HA 0.001 4.557 4.556 -0.000 0.000 0.300 185 H C 1.909 177.227 175.328 -0.017 0.000 1.090 185 H CA 1.003 57.024 56.048 -0.044 0.000 1.327 185 H CB 0.154 29.904 29.762 -0.020 0.000 1.383 185 H HN 0.109 nan 8.280 nan 0.000 0.508 186 L N 0.288 121.438 121.223 -0.122 0.000 2.056 186 L HA -0.172 4.168 4.340 -0.000 0.000 0.207 186 L C 2.739 179.578 176.870 -0.051 0.000 1.078 186 L CA 0.813 55.585 54.840 -0.113 0.000 0.749 186 L CB -0.301 41.708 42.059 -0.084 0.000 0.901 186 L HN 0.289 nan 8.230 nan 0.000 0.433 187 I N 0.075 120.647 120.570 0.003 0.000 2.208 187 I HA -0.309 3.861 4.170 -0.000 0.000 0.245 187 I C 1.956 178.100 176.117 0.046 0.000 1.097 187 I CA 1.301 62.601 61.300 0.000 0.000 1.363 187 I CB -0.338 37.687 38.000 0.042 0.000 1.051 187 I HN 0.275 nan 8.210 nan 0.000 0.413 188 D N 0.586 121.032 120.400 0.077 0.000 2.264 188 D HA -0.075 4.565 4.640 -0.000 0.000 0.208 188 D C 2.154 178.518 176.300 0.108 0.000 0.966 188 D CA 1.063 55.141 54.000 0.130 0.000 0.864 188 D CB -0.058 40.842 40.800 0.166 0.000 0.933 188 D HN 0.370 nan 8.370 nan 0.000 0.499 189 I N -0.468 120.117 120.570 0.024 0.000 2.546 189 I HA -0.039 4.131 4.170 -0.000 0.000 0.255 189 I C 1.656 177.826 176.117 0.088 0.000 1.163 189 I CA 1.097 62.416 61.300 0.031 0.000 1.457 189 I CB 0.235 38.213 38.000 -0.037 0.000 1.092 189 I HN 0.155 nan 8.210 nan 0.000 0.434 190 G N 0.454 109.286 108.800 0.053 0.000 2.370 190 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.174 190 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.174 190 G C 0.307 175.127 174.900 -0.132 0.000 1.002 190 G CA -0.063 45.047 45.100 0.017 0.000 0.730 190 G HN 0.189 nan 8.290 nan 0.000 0.497 191 V N -0.453 119.335 119.914 -0.210 0.000 2.843 191 V HA 0.713 4.833 4.120 -0.000 0.000 0.305 191 V C 1.255 177.074 176.094 -0.459 0.000 1.065 191 V CA 0.952 63.028 62.300 -0.374 0.000 1.116 191 V CB 1.457 33.020 31.823 -0.433 0.000 0.968 191 V HN 1.307 nan 8.190 nan 0.000 0.487 192 A N 2.961 125.429 122.820 -0.586 0.000 2.267 192 A HA 0.761 5.081 4.320 -0.000 0.000 0.213 192 A C 1.158 178.485 177.584 -0.427 0.000 1.192 192 A CA 0.657 52.327 52.037 -0.612 0.000 0.851 192 A CB -0.503 18.176 19.000 -0.535 0.000 0.881 192 A HN 2.060 nan 8.150 nan 0.000 0.494 193 G N -1.948 106.547 108.800 -0.508 0.000 2.321 193 G HA2 0.485 4.445 3.960 -0.000 0.000 0.296 193 G HA3 0.485 4.445 3.960 -0.000 0.000 0.296 193 G C -1.586 173.017 174.900 -0.495 0.000 1.287 193 G CA -0.690 44.280 45.100 -0.217 0.000 0.846 193 G HN 0.222 nan 8.290 nan 0.000 0.508 194 F N -0.576 119.492 119.950 0.197 0.000 2.631 194 F HA 0.667 5.194 4.527 -0.000 0.000 0.308 194 F C 0.141 176.109 175.800 0.280 0.000 1.097 194 F CA -0.893 57.220 58.000 0.189 0.000 0.952 194 F CB 2.467 41.482 39.000 0.025 0.000 1.307 194 F HN 0.474 nan 8.300 nan 0.000 0.450 195 R N 3.179 123.879 120.500 0.332 0.000 2.207 195 R HA 0.512 4.852 4.340 -0.000 0.000 0.334 195 R C -1.476 174.776 176.300 -0.081 0.000 1.013 195 R CA -0.389 55.556 56.100 -0.258 0.000 0.858 195 R CB 0.471 30.442 30.300 -0.549 0.000 1.094 195 R HN 0.788 nan 8.270 nan 0.000 0.457 196 L N 4.770 125.939 121.223 -0.090 0.000 2.312 196 L HA 0.139 4.479 4.340 -0.000 0.000 0.287 196 L C 0.215 177.062 176.870 -0.039 0.000 1.091 196 L CA -0.434 54.378 54.840 -0.047 0.000 0.846 196 L CB 0.637 42.674 42.059 -0.037 0.000 1.219 196 L HN 0.636 nan 8.230 nan 0.000 0.439 197 D N 3.647 124.046 120.400 -0.000 0.000 2.443 197 D HA 0.253 4.893 4.640 -0.000 0.000 0.239 197 D C 0.862 177.232 176.300 0.117 0.000 1.136 197 D CA 0.588 54.638 54.000 0.083 0.000 0.879 197 D CB 0.896 41.755 40.800 0.098 0.000 1.195 197 D HN 0.728 nan 8.370 nan 0.000 0.443 198 A N 2.844 125.776 122.820 0.187 0.000 2.687 198 A HA -0.233 4.087 4.320 -0.000 0.000 0.299 198 A C 1.780 179.450 177.584 0.144 0.000 1.497 198 A CA 1.119 53.317 52.037 0.268 0.000 0.751 198 A CB -2.030 17.195 19.000 0.375 0.000 1.048 198 A HN 0.448 nan 8.150 nan 0.000 0.464 199 S N -0.534 115.156 115.700 -0.017 0.000 2.402 199 S HA -0.138 4.332 4.470 -0.000 0.000 0.229 199 S C 1.861 176.303 174.600 -0.262 0.000 1.021 199 S CA 1.416 59.529 58.200 -0.144 0.000 0.974 199 S CB -0.135 62.894 63.200 -0.285 0.000 0.800 199 S HN 0.863 nan 8.310 nan 0.000 0.484 200 K N 0.754 120.952 120.400 -0.337 0.000 2.211 200 K HA -0.157 4.163 4.320 -0.000 0.000 0.204 200 K C 1.006 177.362 176.600 -0.407 0.000 1.047 200 K CA 1.221 57.278 56.287 -0.383 0.000 0.935 200 K CB -0.153 32.095 32.500 -0.421 0.000 0.728 200 K HN 0.472 nan 8.250 nan 0.000 0.452 201 H N -0.419 118.617 119.070 -0.057 0.000 2.533 201 H HA 0.171 4.727 4.556 -0.000 0.000 0.271 201 H C 0.030 175.291 175.328 -0.112 0.000 1.000 201 H CA 0.364 56.358 56.048 -0.090 0.000 1.149 201 H CB 0.030 29.778 29.762 -0.023 0.000 1.375 201 H HN 0.186 nan 8.280 nan 0.000 0.582 202 M N -0.283 119.304 119.600 -0.021 0.000 2.464 202 M HA 0.191 4.671 4.480 -0.000 0.000 0.308 202 M C -1.009 175.298 176.300 0.012 0.000 1.127 202 M CA -0.847 54.461 55.300 0.014 0.000 0.913 202 M CB 2.348 35.015 32.600 0.112 0.000 1.689 202 M HN -0.009 nan 8.290 nan 0.000 0.445 203 W N 2.684 124.042 121.300 0.095 0.000 2.251 203 W HA 0.203 4.863 4.660 -0.000 0.000 0.327 203 W C -1.734 174.786 176.519 0.002 0.000 1.361 203 W CA -0.919 56.443 57.345 0.029 0.000 1.234 203 W CB -0.214 29.246 29.460 -0.000 0.000 1.212 203 W HN 0.494 nan 8.180 nan 0.000 0.557 204 P HA -0.226 nan 4.420 nan 0.000 0.217 204 P C 1.720 179.052 177.300 0.054 0.000 1.151 204 P CA 2.495 65.540 63.100 -0.092 0.000 0.849 204 P CB 0.080 31.545 31.700 -0.392 0.000 0.787 205 G N -0.636 108.217 108.800 0.088 0.000 2.422 205 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.218 205 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.218 205 G C 1.229 176.173 174.900 0.073 0.000 1.140 205 G CA 0.704 45.839 45.100 0.058 0.000 0.775 205 G HN 0.180 nan 8.290 nan 0.000 0.545 206 D N 0.554 121.034 120.400 0.134 0.000 2.149 206 D HA -0.024 4.616 4.640 -0.000 0.000 0.201 206 D C 2.557 178.907 176.300 0.084 0.000 0.972 206 D CA 0.295 54.363 54.000 0.114 0.000 0.835 206 D CB -0.090 40.821 40.800 0.185 0.000 0.966 206 D HN 0.342 nan 8.370 nan 0.000 0.476 207 I N 0.601 121.236 120.570 0.108 0.000 2.179 207 I HA -0.278 3.892 4.170 -0.000 0.000 0.242 207 I C 2.319 178.462 176.117 0.045 0.000 1.088 207 I CA 0.975 62.323 61.300 0.080 0.000 1.357 207 I CB -0.120 37.964 38.000 0.140 0.000 1.051 207 I HN -0.072 nan 8.210 nan 0.000 0.409 208 K N 1.669 122.101 120.400 0.053 0.000 2.063 208 K HA -0.167 4.153 4.320 -0.000 0.000 0.208 208 K C 2.050 178.658 176.600 0.013 0.000 1.048 208 K CA 1.785 58.092 56.287 0.032 0.000 0.928 208 K CB -0.383 32.138 32.500 0.035 0.000 0.713 208 K HN 0.286 nan 8.250 nan 0.000 0.442 209 A N 0.425 123.254 122.820 0.015 0.000 1.978 209 A HA -0.112 4.208 4.320 -0.000 0.000 0.220 209 A C 2.209 179.787 177.584 -0.011 0.000 1.170 209 A CA 1.706 53.746 52.037 0.004 0.000 0.636 209 A CB -0.605 18.401 19.000 0.009 0.000 0.810 209 A HN 0.379 nan 8.150 nan 0.000 0.448 210 I N -0.544 120.014 120.570 -0.021 0.000 2.286 210 I HA -0.183 3.987 4.170 -0.000 0.000 0.245 210 I C 2.193 178.268 176.117 -0.069 0.000 1.104 210 I CA 0.817 62.084 61.300 -0.055 0.000 1.397 210 I CB -0.254 37.702 38.000 -0.074 0.000 1.072 210 I HN 0.266 nan 8.210 nan 0.000 0.417 211 L N 0.296 121.487 121.223 -0.054 0.000 2.191 211 L HA -0.222 4.118 4.340 -0.000 0.000 0.212 211 L C 1.722 178.572 176.870 -0.034 0.000 1.103 211 L CA 1.029 55.837 54.840 -0.054 0.000 0.769 211 L CB -0.685 41.352 42.059 -0.037 0.000 0.908 211 L HN 0.261 nan 8.230 nan 0.000 0.438 212 D N 0.256 120.644 120.400 -0.020 0.000 2.350 212 D HA -0.104 4.536 4.640 -0.000 0.000 0.216 212 D C 1.754 178.052 176.300 -0.003 0.000 0.968 212 D CA 0.978 54.974 54.000 -0.007 0.000 0.894 212 D CB 0.107 40.907 40.800 -0.000 0.000 0.909 212 D HN 0.319 nan 8.370 nan 0.000 0.520 213 K N -0.318 120.071 120.400 -0.019 0.000 2.374 213 K HA 0.091 4.411 4.320 -0.000 0.000 0.196 213 K C 0.001 176.589 176.600 -0.021 0.000 1.023 213 K CA -0.386 55.892 56.287 -0.015 0.000 1.103 213 K CB 0.833 33.308 32.500 -0.042 0.000 0.848 213 K HN -0.042 nan 8.250 nan 0.000 0.528 214 L N 1.350 122.556 121.223 -0.029 0.000 2.395 214 L HA 0.159 4.499 4.340 -0.000 0.000 0.269 214 L C 0.494 177.414 176.870 0.085 0.000 1.133 214 L CA -0.093 54.723 54.840 -0.041 0.000 0.812 214 L CB 0.444 42.477 42.059 -0.045 0.000 1.125 214 L HN 0.137 nan 8.230 nan 0.000 0.452 215 H N 1.206 120.272 119.070 -0.007 0.000 2.597 215 H HA 0.189 4.745 4.556 0.000 0.000 0.370 215 H C -0.077 175.245 175.328 -0.011 0.000 1.281 215 H CA -0.956 55.091 56.048 -0.003 0.000 1.422 215 H CB 0.706 30.473 29.762 0.008 0.000 1.524 215 H HN 0.514 nan 8.280 nan 0.000 0.607 216 N N 0.368 119.140 118.700 0.121 0.000 2.424 216 N HA 0.101 4.841 4.740 -0.000 0.000 0.257 216 N C -0.163 175.363 175.510 0.026 0.000 1.250 216 N CA -0.373 52.700 53.050 0.039 0.000 0.946 216 N CB 0.559 39.057 38.487 0.018 0.000 1.175 216 N HN 0.308 nan 8.380 nan 0.000 0.477 217 L N 1.021 122.203 121.223 -0.068 0.000 2.482 217 L HA 0.034 4.374 4.340 -0.000 0.000 0.273 217 L C 1.276 178.204 176.870 0.096 0.000 1.228 217 L CA -0.194 54.559 54.840 -0.146 0.000 0.827 217 L CB 0.116 41.784 42.059 -0.652 0.000 1.099 217 L HN 0.496 nan 8.230 nan 0.000 0.494 218 N N 1.112 119.954 118.700 0.237 0.000 2.374 218 N HA -0.096 4.644 4.740 -0.000 0.000 0.269 218 N C 0.963 176.672 175.510 0.331 0.000 1.310 218 N CA 0.299 53.536 53.050 0.311 0.000 0.877 218 N CB 0.901 39.650 38.487 0.436 0.000 1.096 218 N HN 0.663 nan 8.380 nan 0.000 0.484 219 S N 2.851 118.643 115.700 0.153 0.000 2.547 219 S HA -0.033 4.437 4.470 -0.000 0.000 0.235 219 S C 1.156 175.757 174.600 0.001 0.000 0.980 219 S CA 0.282 58.536 58.200 0.091 0.000 0.941 219 S CB 0.028 63.247 63.200 0.031 0.000 0.763 219 S HN 0.581 nan 8.310 nan 0.000 0.532 220 N N -0.034 118.615 118.700 -0.084 0.000 2.457 220 N HA 0.046 4.786 4.740 -0.000 0.000 0.180 220 N C 0.588 175.821 175.510 -0.461 0.000 1.050 220 N CA 0.849 53.681 53.050 -0.362 0.000 0.906 220 N CB -0.014 38.072 38.487 -0.668 0.000 0.968 220 N HN 0.620 nan 8.380 nan 0.000 0.445 221 W N -0.596 120.627 121.300 -0.129 0.000 2.942 221 W HA 0.278 4.938 4.660 0.000 0.000 0.260 221 W C -0.172 176.034 176.519 -0.522 0.000 1.101 221 W CA -0.166 56.944 57.345 -0.391 0.000 1.436 221 W CB 0.140 29.211 29.460 -0.649 0.000 0.883 221 W HN -0.190 nan 8.180 nan 0.000 0.646 222 F N 1.152 121.207 119.950 0.174 0.000 2.507 222 F HA 0.483 5.010 4.527 -0.000 0.000 0.327 222 F C -1.900 173.924 175.800 0.039 0.000 1.068 222 F CA -2.690 55.359 58.000 0.082 0.000 0.965 222 F CB -0.175 38.859 39.000 0.057 0.000 1.192 222 F HN -0.458 nan 8.300 nan 0.000 0.476 223 P HA 0.164 nan 4.420 nan 0.000 0.269 223 P C -0.822 176.540 177.300 0.102 0.000 1.215 223 P CA -0.390 62.777 63.100 0.111 0.000 0.780 223 P CB 0.409 32.159 31.700 0.084 0.000 0.898 224 A N 2.111 124.967 122.820 0.060 0.000 2.531 224 A HA 0.410 4.730 4.320 -0.000 0.000 0.236 224 A C 1.493 179.098 177.584 0.035 0.000 1.062 224 A CA 0.737 52.799 52.037 0.043 0.000 0.760 224 A CB -1.353 17.661 19.000 0.023 0.000 0.995 224 A HN 0.911 nan 8.150 nan 0.000 0.501 225 G N 1.333 110.148 108.800 0.026 0.000 2.157 225 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.248 225 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.248 225 G C 0.455 175.361 174.900 0.010 0.000 0.979 225 G CA 0.367 45.477 45.100 0.016 0.000 0.650 225 G HN 1.170 nan 8.290 nan 0.000 0.529 226 S N 1.330 117.037 115.700 0.012 0.000 2.531 226 S HA 0.474 4.944 4.470 -0.000 0.000 0.279 226 S C 0.477 175.039 174.600 -0.063 0.000 1.305 226 S CA -0.044 58.142 58.200 -0.023 0.000 1.058 226 S CB 1.093 64.277 63.200 -0.026 0.000 0.899 226 S HN 0.326 nan 8.310 nan 0.000 0.493 227 K N 3.288 123.650 120.400 -0.064 0.000 2.138 227 K HA 0.419 4.739 4.320 -0.000 0.000 0.263 227 K C -2.708 173.843 176.600 -0.081 0.000 0.965 227 K CA -2.484 53.767 56.287 -0.061 0.000 0.868 227 K CB 1.114 33.586 32.500 -0.047 0.000 1.083 227 K HN 0.273 nan 8.250 nan 0.000 0.443 228 P HA -0.000 nan 4.420 nan 0.000 0.268 228 P C -0.361 176.973 177.300 0.058 0.000 1.204 228 P CA -0.238 62.843 63.100 -0.031 0.000 0.768 228 P CB 0.162 31.908 31.700 0.077 0.000 0.842 229 F N 4.731 124.622 119.950 -0.099 0.000 2.504 229 F HA 0.231 4.758 4.527 0.000 0.000 0.369 229 F C -0.318 175.472 175.800 -0.016 0.000 1.082 229 F CA -0.319 57.617 58.000 -0.108 0.000 1.216 229 F CB -0.064 38.853 39.000 -0.137 0.000 1.108 229 F HN 0.119 nan 8.300 nan 0.000 0.554 230 I N 8.983 129.307 120.570 -0.410 0.000 2.418 230 I HA 0.163 4.333 4.170 -0.000 0.000 0.287 230 I C -1.194 174.684 176.117 -0.398 0.000 1.008 230 I CA -0.792 60.338 61.300 -0.282 0.000 1.104 230 I CB 1.159 39.100 38.000 -0.097 0.000 1.264 230 I HN 0.452 nan 8.210 nan 0.000 0.438 231 Y N 3.730 123.706 120.300 -0.540 0.000 2.331 231 Y HA 0.683 5.234 4.550 0.000 0.000 0.334 231 Y C -0.574 175.237 175.900 -0.148 0.000 0.960 231 Y CA -2.415 55.466 58.100 -0.364 0.000 1.130 231 Y CB 0.399 38.606 38.460 -0.421 0.000 1.164 231 Y HN 0.512 nan 8.280 nan 0.000 0.458 232 Q N 2.438 122.241 119.800 0.004 0.000 2.257 232 Q HA 0.228 4.568 4.340 -0.000 0.000 0.255 232 Q C -0.395 175.566 176.000 -0.064 0.000 0.920 232 Q CA -0.594 55.172 55.803 -0.061 0.000 0.927 232 Q CB 2.012 30.711 28.738 -0.065 0.000 1.229 232 Q HN 0.678 nan 8.270 nan 0.000 0.433 233 E N 3.160 123.317 120.200 -0.072 0.000 2.003 233 E HA 0.156 4.506 4.350 -0.000 0.000 0.279 233 E C -1.352 175.243 176.600 -0.007 0.000 1.132 233 E CA -0.165 56.261 56.400 0.043 0.000 0.888 233 E CB 0.440 30.191 29.700 0.083 0.000 1.056 233 E HN 0.319 nan 8.360 nan 0.000 0.399 234 V N 7.257 127.193 119.914 0.036 0.000 2.409 234 V HA 0.293 4.413 4.120 -0.000 0.000 0.290 234 V C 0.105 176.226 176.094 0.046 0.000 1.017 234 V CA -0.664 61.589 62.300 -0.078 0.000 0.841 234 V CB 1.505 33.197 31.823 -0.219 0.000 1.003 234 V HN 0.588 nan 8.190 nan 0.000 0.426 235 I N 4.286 124.786 120.570 -0.117 0.000 2.308 235 I HA 0.311 4.481 4.170 -0.000 0.000 0.293 235 I C -0.343 175.721 176.117 -0.090 0.000 1.078 235 I CA 0.249 61.409 61.300 -0.233 0.000 1.292 235 I CB 0.644 38.334 38.000 -0.516 0.000 1.423 235 I HN 0.546 nan 8.210 nan 0.000 0.493 236 D N 7.692 128.104 120.400 0.021 0.000 2.420 236 D HA 0.275 4.915 4.640 -0.000 0.000 0.255 236 D C 0.162 176.493 176.300 0.052 0.000 1.185 236 D CA -0.332 53.687 54.000 0.031 0.000 0.904 236 D CB 1.087 41.922 40.800 0.059 0.000 1.102 236 D HN 0.412 nan 8.370 nan 0.000 0.534 237 L N 2.422 123.658 121.223 0.022 0.000 2.628 237 L HA 0.370 4.710 4.340 -0.000 0.000 0.229 237 L C 1.584 178.480 176.870 0.043 0.000 1.137 237 L CA 0.347 55.212 54.840 0.042 0.000 0.909 237 L CB 0.271 42.344 42.059 0.023 0.000 1.137 237 L HN 0.692 nan 8.230 nan 0.000 0.470 238 G N -0.161 108.660 108.800 0.035 0.000 2.253 238 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.209 238 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.209 238 G C 0.806 175.717 174.900 0.018 0.000 0.997 238 G CA -0.136 44.984 45.100 0.032 0.000 0.640 238 G HN 0.405 nan 8.290 nan 0.000 0.496 239 G N 0.201 109.007 108.800 0.010 0.000 3.575 239 G HA2 0.563 4.523 3.960 -0.000 0.000 0.273 239 G HA3 0.563 4.523 3.960 -0.000 0.000 0.273 239 G C 0.151 175.059 174.900 0.013 0.000 1.053 239 G CA 0.415 45.520 45.100 0.009 0.000 0.803 239 G HN 0.471 nan 8.290 nan 0.000 0.528 240 E N 0.023 120.234 120.200 0.018 0.000 2.281 240 E HA 0.304 4.654 4.350 -0.000 0.000 0.262 240 E C -1.434 175.182 176.600 0.027 0.000 0.933 240 E CA -1.882 54.537 56.400 0.032 0.000 0.809 240 E CB 2.341 32.069 29.700 0.047 0.000 1.242 240 E HN -0.107 nan 8.360 nan 0.000 0.418 241 P HA -0.018 nan 4.420 nan 0.000 0.221 241 P C 0.254 177.562 177.300 0.015 0.000 1.150 241 P CA 0.956 64.067 63.100 0.019 0.000 0.800 241 P CB 0.371 32.083 31.700 0.020 0.000 0.787 242 I N 0.589 121.169 120.570 0.016 0.000 2.416 242 I HA 0.093 4.263 4.170 -0.000 0.000 0.288 242 I C 0.501 176.640 176.117 0.036 0.000 1.051 242 I CA -0.241 61.072 61.300 0.022 0.000 1.375 242 I CB 0.531 38.541 38.000 0.017 0.000 1.407 242 I HN -0.201 nan 8.210 nan 0.000 0.516 243 K N 3.526 123.948 120.400 0.035 0.000 2.259 243 K HA 0.300 4.620 4.320 -0.000 0.000 0.249 243 K C 0.858 177.490 176.600 0.053 0.000 0.942 243 K CA -0.578 55.720 56.287 0.019 0.000 0.816 243 K CB 1.757 34.239 32.500 -0.030 0.000 1.155 243 K HN 0.603 nan 8.250 nan 0.000 0.428 244 S N -0.164 115.558 115.700 0.038 0.000 2.419 244 S HA -0.199 4.271 4.470 -0.000 0.000 0.233 244 S C 1.753 176.250 174.600 -0.171 0.000 1.016 244 S CA 1.385 59.631 58.200 0.075 0.000 0.974 244 S CB -0.498 62.776 63.200 0.122 0.000 0.786 244 S HN 0.650 nan 8.310 nan 0.000 0.492 245 S N 2.053 117.426 115.700 -0.543 0.000 2.442 245 S HA -0.120 4.350 4.470 -0.000 0.000 0.236 245 S C 1.137 175.283 174.600 -0.757 0.000 1.007 245 S CA 1.017 58.355 58.200 -1.436 0.000 0.965 245 S CB -0.591 62.092 63.200 -0.862 0.000 0.773 245 S HN 0.421 nan 8.310 nan 0.000 0.504 246 D N 0.569 120.779 120.400 -0.317 0.000 2.310 246 D HA -0.019 4.621 4.640 -0.000 0.000 0.212 246 D C 0.504 176.609 176.300 -0.325 0.000 0.965 246 D CA 0.909 54.744 54.000 -0.274 0.000 0.879 246 D CB -0.251 40.374 40.800 -0.292 0.000 0.921 246 D HN 0.631 nan 8.370 nan 0.000 0.510 247 Y N -1.134 119.119 120.300 -0.079 0.000 2.507 247 Y HA 0.131 4.681 4.550 -0.000 0.000 0.254 247 Y C 1.393 177.445 175.900 0.254 0.000 1.171 247 Y CA -0.483 57.663 58.100 0.077 0.000 1.238 247 Y CB 0.052 38.561 38.460 0.082 0.000 1.148 247 Y HN -0.177 nan 8.280 nan 0.000 0.525 248 F N -0.024 120.048 119.950 0.205 0.000 2.250 248 F HA -0.099 4.428 4.527 0.000 0.000 0.301 248 F C 2.276 178.227 175.800 0.251 0.000 1.077 248 F CA 1.116 59.234 58.000 0.197 0.000 1.348 248 F CB -1.181 37.885 39.000 0.111 0.000 1.040 248 F HN 0.125 nan 8.300 nan 0.000 0.509 249 G N -0.783 108.237 108.800 0.367 0.000 2.598 249 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.215 249 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.215 249 G C 1.479 176.519 174.900 0.233 0.000 1.131 249 G CA 0.410 45.680 45.100 0.284 0.000 0.785 249 G HN 0.262 nan 8.290 nan 0.000 0.539 250 N N 0.125 118.962 118.700 0.229 0.000 2.368 250 N HA 0.254 4.994 4.740 -0.000 0.000 0.178 250 N C 1.100 176.624 175.510 0.022 0.000 1.076 250 N CA 0.960 54.080 53.050 0.116 0.000 0.889 250 N CB 1.284 39.865 38.487 0.156 0.000 1.040 250 N HN 0.428 nan 8.380 nan 0.000 0.463 251 G N -0.227 108.667 108.800 0.157 0.000 2.368 251 G HA2 0.096 4.056 3.960 -0.000 0.000 0.269 251 G HA3 0.096 4.056 3.960 -0.000 0.000 0.269 251 G C -1.300 173.799 174.900 0.333 0.000 1.291 251 G CA -0.895 44.237 45.100 0.054 0.000 0.903 251 G HN -0.056 nan 8.290 nan 0.000 0.483 252 R N -0.902 119.721 120.500 0.205 0.000 2.649 252 R HA 0.601 4.941 4.340 -0.000 0.000 0.270 252 R C 0.005 176.422 176.300 0.195 0.000 1.105 252 R CA 0.067 56.285 56.100 0.197 0.000 1.193 252 R CB 1.220 31.603 30.300 0.137 0.000 1.120 252 R HN 1.053 nan 8.270 nan 0.000 0.561 253 V N -2.646 117.399 119.914 0.218 0.000 2.876 253 V HA 0.391 4.511 4.120 -0.000 0.000 0.312 253 V C 0.045 176.259 176.094 0.199 0.000 1.085 253 V CA -1.166 61.261 62.300 0.212 0.000 0.945 253 V CB 1.749 33.745 31.823 0.289 0.000 1.017 253 V HN 0.912 nan 8.190 nan 0.000 0.428 254 T N -0.123 114.547 114.554 0.193 0.000 2.853 254 T HA 0.372 4.722 4.350 -0.000 0.000 0.298 254 T C -0.085 174.717 174.700 0.169 0.000 0.978 254 T CA 0.072 62.304 62.100 0.219 0.000 1.152 254 T CB 0.821 69.834 68.868 0.243 0.000 0.914 254 T HN 1.015 nan 8.240 nan 0.000 0.539 255 E N 2.430 122.628 120.200 -0.004 0.000 2.042 255 E HA 0.314 4.664 4.350 -0.000 0.000 0.260 255 E C -0.404 175.982 176.600 -0.357 0.000 0.975 255 E CA -1.089 55.247 56.400 -0.106 0.000 0.799 255 E CB -0.500 29.128 29.700 -0.119 0.000 1.131 255 E HN 0.669 nan 8.360 nan 0.000 0.423 256 F N 2.481 122.346 119.950 -0.143 0.000 2.502 256 F HA 0.041 4.568 4.527 0.000 0.000 0.298 256 F C 1.654 177.331 175.800 -0.205 0.000 1.111 256 F CA 0.678 58.581 58.000 -0.161 0.000 1.445 256 F CB 0.213 39.219 39.000 0.011 0.000 1.081 256 F HN 0.374 nan 8.300 nan 0.000 0.558 257 K N -1.034 119.291 120.400 -0.125 0.000 2.283 257 K HA -0.195 4.125 4.320 -0.000 0.000 0.202 257 K C 1.692 178.055 176.600 -0.395 0.000 1.048 257 K CA 0.967 57.144 56.287 -0.183 0.000 0.948 257 K CB -0.346 32.058 32.500 -0.160 0.000 0.742 257 K HN 0.246 nan 8.250 nan 0.000 0.458 258 Y N 1.257 121.063 120.300 -0.824 0.000 2.049 258 Y HA -0.235 4.315 4.550 -0.000 0.000 0.277 258 Y C 2.439 178.231 175.900 -0.180 0.000 1.143 258 Y CA 2.091 59.783 58.100 -0.680 0.000 1.115 258 Y CB -0.719 37.352 38.460 -0.649 0.000 0.975 258 Y HN 0.053 nan 8.280 nan 0.000 0.487 259 G N -0.774 107.995 108.800 -0.052 0.000 2.422 259 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.218 259 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.218 259 G C 1.749 176.646 174.900 -0.005 0.000 1.140 259 G CA 0.849 45.941 45.100 -0.014 0.000 0.775 259 G HN 0.621 nan 8.290 nan 0.000 0.545 260 A N 0.753 123.582 122.820 0.015 0.000 1.873 260 A HA 0.034 4.354 4.320 -0.000 0.000 0.215 260 A C 2.377 179.997 177.584 0.060 0.000 1.186 260 A CA 1.795 53.865 52.037 0.054 0.000 0.616 260 A CB -0.237 18.818 19.000 0.091 0.000 0.823 260 A HN 0.186 nan 8.150 nan 0.000 0.442 261 K N -0.731 119.741 120.400 0.120 0.000 2.103 261 K HA 0.006 4.326 4.320 -0.000 0.000 0.204 261 K C 1.830 178.456 176.600 0.043 0.000 1.052 261 K CA 0.798 57.219 56.287 0.224 0.000 0.945 261 K CB -0.745 32.055 32.500 0.500 0.000 0.722 261 K HN 0.410 nan 8.250 nan 0.000 0.443 262 L N 0.798 121.970 121.223 -0.085 0.000 2.093 262 L HA -0.030 4.310 4.340 -0.000 0.000 0.208 262 L C 2.060 178.737 176.870 -0.322 0.000 1.085 262 L CA 1.937 56.533 54.840 -0.407 0.000 0.755 262 L CB -1.025 40.767 42.059 -0.446 0.000 0.904 262 L HN 0.221 nan 8.230 nan 0.000 0.435 263 G N -2.163 106.513 108.800 -0.207 0.000 2.422 263 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.218 263 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.218 263 G C 1.447 176.127 174.900 -0.367 0.000 1.146 263 G CA 1.152 46.099 45.100 -0.255 0.000 0.769 263 G HN 0.413 nan 8.290 nan 0.000 0.547 264 T N 0.271 114.677 114.554 -0.247 0.000 2.777 264 T HA -0.107 4.243 4.350 -0.000 0.000 0.266 264 T C 2.421 177.033 174.700 -0.146 0.000 1.040 264 T CA 1.244 63.232 62.100 -0.187 0.000 1.141 264 T CB -0.277 68.631 68.868 0.067 0.000 0.868 264 T HN 0.125 nan 8.240 nan 0.000 0.444 265 V N 1.068 120.896 119.914 -0.143 0.000 2.379 265 V HA -0.017 4.103 4.120 -0.000 0.000 0.245 265 V C 2.107 178.042 176.094 -0.264 0.000 1.044 265 V CA 1.388 63.592 62.300 -0.161 0.000 1.036 265 V CB -0.499 31.187 31.823 -0.230 0.000 0.664 265 V HN 0.520 nan 8.190 nan 0.000 0.453 266 I N -0.239 120.123 120.570 -0.346 0.000 2.546 266 I HA -0.099 4.071 4.170 -0.000 0.000 0.255 266 I C 2.664 178.620 176.117 -0.269 0.000 1.163 266 I CA 1.225 62.324 61.300 -0.335 0.000 1.457 266 I CB -0.258 37.529 38.000 -0.355 0.000 1.092 266 I HN 0.228 nan 8.210 nan 0.000 0.434 267 R N 0.962 121.256 120.500 -0.344 0.000 2.275 267 R HA 0.034 4.374 4.340 -0.000 0.000 0.199 267 R C 0.182 176.402 176.300 -0.133 0.000 0.989 267 R CA 0.150 56.024 56.100 -0.377 0.000 1.016 267 R CB 0.097 29.806 30.300 -0.985 0.000 0.918 267 R HN 0.168 nan 8.270 nan 0.000 0.473 268 K N -0.451 119.895 120.400 -0.089 0.000 3.125 268 K HA -0.161 4.159 4.320 -0.000 0.000 0.268 268 K C -1.058 175.697 176.600 0.259 0.000 1.078 268 K CA 0.349 56.664 56.287 0.048 0.000 0.775 268 K CB -1.119 31.398 32.500 0.029 0.000 1.253 268 K HN 0.126 nan 8.250 nan 0.000 0.486 269 W N 2.439 123.733 121.300 -0.009 0.000 2.251 269 W HA 0.163 4.824 4.660 0.001 0.000 0.329 269 W C 1.070 177.602 176.519 0.022 0.000 1.234 269 W CA -0.479 56.869 57.345 0.005 0.000 1.228 269 W CB 0.064 29.528 29.460 0.007 0.000 1.135 269 W HN 0.374 nan 8.180 nan 0.000 0.576 270 N N 0.205 119.021 118.700 0.193 0.000 2.707 270 N HA -0.266 4.474 4.740 -0.000 0.000 0.253 270 N C 0.760 176.342 175.510 0.121 0.000 0.998 270 N CA 1.377 54.493 53.050 0.111 0.000 0.751 270 N CB -1.669 36.880 38.487 0.102 0.000 0.920 270 N HN 1.069 nan 8.380 nan 0.000 0.539 271 G N -1.277 107.593 108.800 0.118 0.000 2.168 271 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.263 271 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.263 271 G C -0.061 174.925 174.900 0.144 0.000 0.977 271 G CA 0.724 45.893 45.100 0.115 0.000 0.659 271 G HN 0.730 nan 8.290 nan 0.000 0.533 272 E N 0.305 120.601 120.200 0.159 0.000 2.383 272 E HA 0.468 4.818 4.350 -0.000 0.000 0.264 272 E C 0.227 176.791 176.600 -0.060 0.000 1.050 272 E CA 0.349 56.850 56.400 0.170 0.000 0.896 272 E CB 0.621 30.439 29.700 0.197 0.000 0.982 272 E HN 0.481 nan 8.360 nan 0.000 0.424 273 K N 1.525 121.741 120.400 -0.306 0.000 2.477 273 K HA 0.316 4.636 4.320 -0.000 0.000 0.255 273 K C 0.713 177.108 176.600 -0.341 0.000 0.952 273 K CA -0.618 55.420 56.287 -0.414 0.000 0.826 273 K CB 1.565 33.688 32.500 -0.628 0.000 1.331 273 K HN 0.299 nan 8.250 nan 0.000 0.437 274 M N 0.846 120.274 119.600 -0.287 0.000 2.358 274 M HA -0.154 4.326 4.480 -0.000 0.000 0.264 274 M C 1.682 177.944 176.300 -0.063 0.000 1.064 274 M CA 1.585 56.720 55.300 -0.275 0.000 1.093 274 M CB -0.314 32.086 32.600 -0.335 0.000 1.401 274 M HN 0.808 nan 8.290 nan 0.000 0.440 275 S N -0.361 115.300 115.700 -0.065 0.000 2.442 275 S HA -0.149 4.321 4.470 -0.000 0.000 0.236 275 S C 1.447 176.237 174.600 0.317 0.000 1.007 275 S CA 0.790 59.094 58.200 0.173 0.000 0.965 275 S CB -0.646 62.578 63.200 0.040 0.000 0.773 275 S HN 0.445 nan 8.310 nan 0.000 0.504 276 Y N 1.556 121.948 120.300 0.153 0.000 2.583 276 Y HA 0.348 4.898 4.550 -0.000 0.000 0.293 276 Y C 1.652 177.715 175.900 0.273 0.000 1.157 276 Y CA -0.795 57.423 58.100 0.197 0.000 1.315 276 Y CB -0.729 37.875 38.460 0.241 0.000 1.021 276 Y HN 0.307 nan 8.280 nan 0.000 0.536 277 L N 0.529 121.872 121.223 0.200 0.000 2.599 277 L HA -0.064 4.276 4.340 -0.000 0.000 0.230 277 L C 2.120 178.819 176.870 -0.285 0.000 1.141 277 L CA 0.308 55.084 54.840 -0.106 0.000 0.877 277 L CB -0.324 41.458 42.059 -0.461 0.000 1.009 277 L HN 0.217 nan 8.230 nan 0.000 0.447 278 K N 0.693 120.771 120.400 -0.537 0.000 2.152 278 K HA -0.168 4.152 4.320 -0.000 0.000 0.206 278 K C 1.002 177.287 176.600 -0.526 0.000 1.048 278 K CA 1.662 57.241 56.287 -1.180 0.000 0.933 278 K CB -0.398 31.447 32.500 -1.093 0.000 0.721 278 K HN 0.361 nan 8.250 nan 0.000 0.447 279 N N 0.495 119.086 118.700 -0.181 0.000 2.321 279 N HA -0.060 4.680 4.740 -0.000 0.000 0.242 279 N C -0.616 174.885 175.510 -0.015 0.000 1.141 279 N CA -0.690 52.311 53.050 -0.083 0.000 0.864 279 N CB -0.432 38.044 38.487 -0.017 0.000 1.100 279 N HN 0.359 nan 8.380 nan 0.000 0.510 280 W N 1.501 122.527 121.300 -0.457 0.000 2.314 280 W HA 0.315 4.975 4.660 -0.000 0.000 0.339 280 W C 0.443 176.546 176.519 -0.693 0.000 1.293 280 W CA 2.008 58.828 57.345 -0.874 0.000 1.288 280 W CB 0.395 29.306 29.460 -0.915 0.000 1.186 280 W HN 0.437 nan 8.180 nan 0.000 0.566 281 G N 4.002 111.975 108.800 -1.377 0.000 2.301 281 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.194 281 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.194 281 G C 0.283 174.689 174.900 -0.823 0.000 1.266 281 G CA 0.037 44.461 45.100 -1.126 0.000 1.210 281 G HN 0.444 nan 8.290 nan 0.000 0.524 282 E N 0.599 120.625 120.200 -0.289 0.000 2.160 282 E HA 0.024 4.374 4.350 -0.000 0.000 0.195 282 E C 2.511 178.995 176.600 -0.194 0.000 0.991 282 E CA 1.848 58.175 56.400 -0.122 0.000 0.810 282 E CB -0.543 29.172 29.700 0.026 0.000 0.742 282 E HN 0.813 nan 8.360 nan 0.000 0.466 283 G N -0.444 108.241 108.800 -0.192 0.000 2.479 283 G HA2 -0.227 3.732 3.960 -0.000 0.000 0.220 283 G HA3 -0.227 3.732 3.960 -0.000 0.000 0.220 283 G C 0.493 175.281 174.900 -0.186 0.000 1.115 283 G CA 0.433 45.452 45.100 -0.135 0.000 0.757 283 G HN 0.265 nan 8.290 nan 0.000 0.560 284 W N -0.090 120.783 121.300 -0.713 0.000 3.330 284 W HA 0.449 5.108 4.660 -0.000 0.000 0.348 284 W C 1.603 177.735 176.519 -0.645 0.000 1.205 284 W CA -0.321 56.537 57.345 -0.812 0.000 1.841 284 W CB 0.042 28.672 29.460 -1.383 0.000 1.084 284 W HN 0.303 nan 8.180 nan 0.000 0.665 285 G N -0.579 108.069 108.800 -0.254 0.000 2.132 285 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.234 285 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.234 285 G C 0.003 175.008 174.900 0.174 0.000 0.989 285 G CA -0.577 44.500 45.100 -0.038 0.000 0.676 285 G HN -0.019 nan 8.290 nan 0.000 0.522 286 F N 0.421 120.327 119.950 -0.073 0.000 2.378 286 F HA 0.602 5.129 4.527 -0.000 0.000 0.319 286 F C 1.466 177.328 175.800 0.104 0.000 1.155 286 F CA -1.362 56.610 58.000 -0.047 0.000 1.157 286 F CB 0.420 39.242 39.000 -0.296 0.000 1.252 286 F HN 0.332 nan 8.300 nan 0.000 0.550 287 V N -0.260 119.900 119.914 0.410 0.000 3.237 287 V HA 0.271 4.391 4.120 -0.000 0.000 0.305 287 V C -2.464 173.816 176.094 0.310 0.000 1.096 287 V CA -1.825 60.707 62.300 0.388 0.000 1.130 287 V CB -0.442 31.647 31.823 0.444 0.000 1.048 287 V HN 0.518 nan 8.190 nan 0.000 0.484 288 P HA 0.054 nan 4.420 nan 0.000 0.265 288 P C 0.985 178.231 177.300 -0.091 0.000 1.187 288 P CA 0.670 63.776 63.100 0.010 0.000 0.766 288 P CB 0.668 32.279 31.700 -0.149 0.000 0.820 289 S N 2.566 118.183 115.700 -0.138 0.000 2.387 289 S HA -0.207 4.263 4.470 -0.000 0.000 0.230 289 S C 1.287 175.680 174.600 -0.345 0.000 1.035 289 S CA 1.979 59.880 58.200 -0.499 0.000 1.014 289 S CB -0.891 62.102 63.200 -0.344 0.000 0.836 289 S HN 0.635 nan 8.310 nan 0.000 0.466 290 D N -0.436 119.821 120.400 -0.239 0.000 2.363 290 D HA -0.014 4.626 4.640 -0.000 0.000 0.226 290 D C 1.280 177.442 176.300 -0.231 0.000 1.020 290 D CA 0.273 54.147 54.000 -0.210 0.000 0.892 290 D CB -0.214 40.462 40.800 -0.205 0.000 0.900 290 D HN 0.261 nan 8.370 nan 0.000 0.531 291 R N -0.238 120.102 120.500 -0.266 0.000 2.549 291 R HA 0.455 4.795 4.340 -0.000 0.000 0.344 291 R C -0.180 176.081 176.300 -0.064 0.000 0.979 291 R CA -0.223 55.733 56.100 -0.239 0.000 1.140 291 R CB 0.868 30.767 30.300 -0.670 0.000 1.377 291 R HN 0.179 nan 8.270 nan 0.000 0.541 292 A N 1.380 124.146 122.820 -0.090 0.000 2.317 292 A HA 0.564 4.884 4.320 -0.000 0.000 0.327 292 A C -0.731 176.873 177.584 0.033 0.000 1.178 292 A CA -0.497 51.522 52.037 -0.029 0.000 0.817 292 A CB 1.119 20.035 19.000 -0.141 0.000 1.189 292 A HN 0.117 nan 8.150 nan 0.000 0.489 293 L N 4.947 126.245 121.223 0.125 0.000 2.294 293 L HA 0.612 4.952 4.340 -0.000 0.000 0.283 293 L C -0.391 176.568 176.870 0.148 0.000 1.015 293 L CA -0.329 54.647 54.840 0.227 0.000 0.831 293 L CB 0.836 43.119 42.059 0.374 0.000 1.217 293 L HN 0.683 nan 8.230 nan 0.000 0.420 294 V N 3.108 123.019 119.914 -0.005 0.000 2.975 294 V HA 0.827 4.947 4.120 -0.000 0.000 0.318 294 V C -0.659 175.409 176.094 -0.043 0.000 1.077 294 V CA -0.600 61.505 62.300 -0.326 0.000 1.000 294 V CB 1.863 33.149 31.823 -0.895 0.000 1.066 294 V HN 0.710 nan 8.190 nan 0.000 0.452 295 F N -0.910 118.874 119.950 -0.277 0.000 2.770 295 F HA 0.745 5.272 4.527 -0.000 0.000 0.313 295 F C -0.039 175.786 175.800 0.042 0.000 1.154 295 F CA -0.873 57.065 58.000 -0.103 0.000 0.923 295 F CB 0.662 39.608 39.000 -0.092 0.000 1.301 295 F HN 0.240 nan 8.300 nan 0.000 0.449 296 V N 0.017 120.075 119.914 0.240 0.000 2.426 296 V HA 0.065 4.185 4.120 -0.000 0.000 0.242 296 V C 0.047 176.312 176.094 0.286 0.000 1.036 296 V CA 1.912 64.340 62.300 0.213 0.000 1.044 296 V CB -0.451 31.475 31.823 0.172 0.000 0.688 296 V HN 0.910 nan 8.190 nan 0.000 0.462 297 D N -0.342 120.307 120.400 0.415 0.000 2.596 297 D HA 0.288 4.928 4.640 -0.000 0.000 0.234 297 D C -0.988 175.510 176.300 0.330 0.000 1.181 297 D CA -0.613 53.609 54.000 0.370 0.000 0.856 297 D CB 1.854 42.813 40.800 0.265 0.000 1.498 297 D HN 0.269 nan 8.370 nan 0.000 0.446 298 N N -1.374 117.432 118.700 0.176 0.000 2.701 298 N HA 0.088 4.828 4.740 -0.000 0.000 0.290 298 N C 1.163 176.565 175.510 -0.181 0.000 1.338 298 N CA -0.485 52.527 53.050 -0.064 0.000 0.799 298 N CB 0.442 38.749 38.487 -0.301 0.000 1.491 298 N HN 0.612 nan 8.380 nan 0.000 0.540 299 H N -1.271 117.596 119.070 -0.337 0.000 2.489 299 H HA -0.018 4.538 4.556 0.000 0.000 0.293 299 H C -0.248 174.656 175.328 -0.706 0.000 1.066 299 H CA 1.203 56.773 56.048 -0.796 0.000 1.305 299 H CB 0.020 29.056 29.762 -1.211 0.000 1.386 299 H HN 0.469 nan 8.280 nan 0.000 0.551 300 D N 1.456 121.312 120.400 -0.905 0.000 2.154 300 D HA -0.123 4.517 4.640 -0.000 0.000 0.211 300 D C 1.930 178.145 176.300 -0.141 0.000 0.977 300 D CA 1.395 55.099 54.000 -0.493 0.000 0.869 300 D CB -0.281 40.329 40.800 -0.316 0.000 1.022 300 D HN 0.573 nan 8.370 nan 0.000 0.461 301 N N 1.038 119.722 118.700 -0.028 0.000 2.521 301 N HA -0.137 4.603 4.740 -0.000 0.000 0.188 301 N C 1.342 176.910 175.510 0.098 0.000 1.146 301 N CA 0.498 53.602 53.050 0.090 0.000 0.893 301 N CB -0.649 37.946 38.487 0.180 0.000 0.975 301 N HN 0.357 nan 8.380 nan 0.000 0.451 302 Q N 0.546 120.367 119.800 0.035 0.000 2.435 302 Q HA -0.009 4.331 4.340 -0.000 0.000 0.207 302 Q C 0.686 176.824 176.000 0.231 0.000 0.956 302 Q CA 0.520 56.391 55.803 0.113 0.000 0.917 302 Q CB -0.072 28.710 28.738 0.074 0.000 0.997 302 Q HN 0.576 nan 8.270 nan 0.000 0.497 303 R N -1.029 119.538 120.500 0.112 0.000 2.642 303 R HA 0.421 4.761 4.340 -0.000 0.000 0.435 303 R C 0.505 176.954 176.300 0.248 0.000 1.046 303 R CA -0.028 56.180 56.100 0.181 0.000 1.103 303 R CB 0.280 30.465 30.300 -0.193 0.000 1.425 303 R HN 0.160 nan 8.270 nan 0.000 0.586 304 G N 1.173 110.101 108.800 0.214 0.000 2.179 304 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.257 304 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.257 304 G C 0.369 175.351 174.900 0.138 0.000 1.010 304 G CA 0.612 45.821 45.100 0.181 0.000 0.736 304 G HN 0.633 nan 8.290 nan 0.000 0.513 305 H N -0.761 118.350 119.070 0.069 0.000 2.575 305 H HA 0.239 4.795 4.556 0.000 0.000 0.267 305 H C 2.034 177.369 175.328 0.012 0.000 0.966 305 H CA 1.087 57.183 56.048 0.080 0.000 1.165 305 H CB 0.693 30.573 29.762 0.197 0.000 1.433 305 H HN 0.496 nan 8.280 nan 0.000 0.544 306 G N 0.226 109.070 108.800 0.073 0.000 2.727 306 G HA2 0.526 4.486 3.960 -0.000 0.000 0.212 306 G HA3 0.526 4.486 3.960 -0.000 0.000 0.212 306 G C -0.700 174.152 174.900 -0.080 0.000 2.076 306 G CA 0.474 45.558 45.100 -0.028 0.000 0.744 306 G HN 0.290 nan 8.290 nan 0.000 0.775 307 A N -2.503 120.272 122.820 -0.075 0.000 2.549 307 A HA 0.701 5.021 4.320 -0.000 0.000 0.297 307 A C 0.288 177.919 177.584 0.079 0.000 1.061 307 A CA 0.407 52.409 52.037 -0.059 0.000 0.690 307 A CB 1.165 20.047 19.000 -0.196 0.000 1.287 307 A HN 2.178 nan 8.150 nan 0.000 0.402 308 G N -0.042 108.808 108.800 0.083 0.000 2.797 308 G HA2 0.494 4.454 3.960 -0.000 0.000 0.195 308 G HA3 0.494 4.454 3.960 -0.000 0.000 0.195 308 G C 1.689 176.654 174.900 0.109 0.000 1.026 308 G CA 1.140 46.312 45.100 0.121 0.000 0.759 308 G HN 2.970 nan 8.290 nan 0.000 0.475 309 G N 0.249 109.110 108.800 0.102 0.000 2.539 309 G HA2 0.205 4.165 3.960 -0.000 0.000 0.256 309 G HA3 0.205 4.165 3.960 -0.000 0.000 0.256 309 G C 1.255 176.241 174.900 0.144 0.000 1.233 309 G CA 2.006 47.177 45.100 0.118 0.000 0.936 309 G HN 1.892 nan 8.290 nan 0.000 0.571 310 A N -0.390 122.547 122.820 0.195 0.000 2.167 310 A HA 0.383 4.703 4.320 -0.000 0.000 0.214 310 A C 2.600 180.288 177.584 0.173 0.000 1.151 310 A CA 2.459 54.636 52.037 0.233 0.000 0.735 310 A CB -0.589 18.596 19.000 0.308 0.000 0.802 310 A HN 2.203 nan 8.150 nan 0.000 0.467 311 S N -0.252 115.498 115.700 0.084 0.000 2.461 311 S HA 0.075 4.545 4.470 -0.000 0.000 0.228 311 S C 0.799 175.273 174.600 -0.210 0.000 1.005 311 S CA -0.126 57.888 58.200 -0.309 0.000 0.942 311 S CB -0.441 62.659 63.200 -0.167 0.000 0.776 311 S HN 0.259 nan 8.310 nan 0.000 0.514 312 I N 2.920 123.470 120.570 -0.033 0.000 2.752 312 I HA 0.090 4.260 4.170 -0.000 0.000 0.289 312 I C 0.344 176.470 176.117 0.015 0.000 1.197 312 I CA 0.050 61.364 61.300 0.023 0.000 1.432 312 I CB -0.450 37.610 38.000 0.100 0.000 1.359 312 I HN 0.343 nan 8.210 nan 0.000 0.571 313 L N 5.977 127.232 121.223 0.054 0.000 2.334 313 L HA 0.465 4.805 4.340 -0.000 0.000 0.277 313 L C 0.500 177.450 176.870 0.133 0.000 1.075 313 L CA -0.005 54.899 54.840 0.107 0.000 0.804 313 L CB 1.672 43.830 42.059 0.164 0.000 1.174 313 L HN 0.649 nan 8.230 nan 0.000 0.438 314 T N 0.060 114.558 114.554 -0.093 0.000 2.778 314 T HA 0.299 4.648 4.350 -0.000 0.000 0.293 314 T C 0.685 174.883 174.700 -0.837 0.000 1.144 314 T CA -0.514 61.263 62.100 -0.538 0.000 1.010 314 T CB 0.871 69.594 68.868 -0.242 0.000 1.325 314 T HN 0.393 nan 8.240 nan 0.000 0.515 315 F N -0.610 118.798 119.950 -0.905 0.000 2.307 315 F HA 0.064 4.592 4.527 0.000 0.000 0.301 315 F C 1.571 177.299 175.800 -0.120 0.000 1.076 315 F CA 0.809 58.537 58.000 -0.454 0.000 1.383 315 F CB -0.839 37.934 39.000 -0.379 0.000 1.055 315 F HN 0.558 nan 8.300 nan 0.000 0.526 316 W N 1.494 122.358 121.300 -0.726 0.000 2.374 316 W HA -0.118 4.543 4.660 0.001 0.000 0.288 316 W C 0.856 177.301 176.519 -0.123 0.000 1.218 316 W CA 0.963 58.056 57.345 -0.420 0.000 1.245 316 W CB -0.235 28.910 29.460 -0.525 0.000 1.126 316 W HN -0.027 nan 8.180 nan 0.000 0.545 317 D N 0.138 120.608 120.400 0.117 0.000 3.179 317 D HA 0.237 4.877 4.640 -0.000 0.000 0.267 317 D C 1.479 177.910 176.300 0.220 0.000 1.348 317 D CA 0.315 54.398 54.000 0.137 0.000 0.897 317 D CB 0.085 40.941 40.800 0.093 0.000 1.062 317 D HN 0.032 nan 8.370 nan 0.000 0.494 318 A N 1.350 124.329 122.820 0.266 0.000 1.894 318 A HA -0.339 3.981 4.320 -0.000 0.000 0.220 318 A C 2.200 179.983 177.584 0.332 0.000 1.237 318 A CA 1.812 54.074 52.037 0.376 0.000 0.660 318 A CB -0.443 18.674 19.000 0.195 0.000 0.835 318 A HN 0.331 nan 8.150 nan 0.000 0.461 319 R N -0.647 119.974 120.500 0.201 0.000 2.080 319 R HA -0.091 4.249 4.340 -0.000 0.000 0.236 319 R C 2.145 178.548 176.300 0.172 0.000 1.137 319 R CA 1.901 58.105 56.100 0.173 0.000 0.943 319 R CB -0.409 29.957 30.300 0.112 0.000 0.846 319 R HN 0.577 nan 8.270 nan 0.000 0.431 320 L N -0.797 120.507 121.223 0.135 0.000 2.156 320 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 320 L C 2.263 179.197 176.870 0.107 0.000 1.095 320 L CA 0.799 55.679 54.840 0.067 0.000 0.770 320 L CB -0.532 41.536 42.059 0.016 0.000 0.914 320 L HN 0.282 nan 8.230 nan 0.000 0.439 321 Y N 1.406 121.755 120.300 0.080 0.000 2.145 321 Y HA -0.251 4.299 4.550 0.000 0.000 0.286 321 Y C 2.535 178.513 175.900 0.131 0.000 1.145 321 Y CA 1.515 59.680 58.100 0.107 0.000 1.148 321 Y CB -0.121 38.454 38.460 0.191 0.000 0.981 321 Y HN -0.008 nan 8.280 nan 0.000 0.507 322 K N -0.619 119.919 120.400 0.230 0.000 2.097 322 K HA -0.209 4.111 4.320 -0.000 0.000 0.206 322 K C 2.242 178.815 176.600 -0.044 0.000 1.049 322 K CA 1.749 58.159 56.287 0.205 0.000 0.933 322 K CB -0.228 32.540 32.500 0.446 0.000 0.717 322 K HN 0.388 nan 8.250 nan 0.000 0.442 323 M N -0.049 119.440 119.600 -0.186 0.000 2.132 323 M HA -0.144 4.336 4.480 -0.000 0.000 0.263 323 M C 2.304 178.390 176.300 -0.357 0.000 1.065 323 M CA 1.415 56.394 55.300 -0.536 0.000 1.122 323 M CB -0.147 32.266 32.600 -0.312 0.000 1.365 323 M HN 0.224 nan 8.290 nan 0.000 0.411 324 A N -0.474 122.190 122.820 -0.259 0.000 1.873 324 A HA -0.106 4.214 4.320 -0.000 0.000 0.215 324 A C 2.075 179.568 177.584 -0.153 0.000 1.186 324 A CA 1.511 53.409 52.037 -0.233 0.000 0.616 324 A CB -0.963 17.926 19.000 -0.185 0.000 0.823 324 A HN 0.310 nan 8.150 nan 0.000 0.442 325 V N 0.052 119.820 119.914 -0.243 0.000 2.407 325 V HA -0.171 3.949 4.120 -0.000 0.000 0.248 325 V C 2.780 178.846 176.094 -0.048 0.000 1.055 325 V CA 1.874 64.065 62.300 -0.182 0.000 1.049 325 V CB -1.427 30.200 31.823 -0.327 0.000 0.662 325 V HN 0.619 nan 8.190 nan 0.000 0.455 326 G N -0.870 107.897 108.800 -0.055 0.000 2.421 326 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.216 326 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.216 326 G C 1.574 176.535 174.900 0.101 0.000 1.171 326 G CA 0.962 46.072 45.100 0.017 0.000 0.775 326 G HN 0.495 nan 8.290 nan 0.000 0.543 327 F N 0.863 120.802 119.950 -0.018 0.000 2.171 327 F HA 0.025 4.552 4.527 0.000 0.000 0.300 327 F C 2.593 178.456 175.800 0.105 0.000 1.090 327 F CA 1.909 59.914 58.000 0.009 0.000 1.293 327 F CB -0.053 38.658 39.000 -0.481 0.000 1.013 327 F HN 0.160 nan 8.300 nan 0.000 0.486 328 M N 0.662 120.386 119.600 0.206 0.000 2.067 328 M HA -0.157 4.323 4.480 -0.000 0.000 0.260 328 M C 1.735 178.125 176.300 0.150 0.000 1.069 328 M CA 1.930 57.396 55.300 0.276 0.000 1.117 328 M CB -0.368 32.398 32.600 0.276 0.000 1.334 328 M HN 0.289 nan 8.290 nan 0.000 0.407 329 L N -1.871 119.394 121.223 0.071 0.000 2.599 329 L HA 0.233 4.572 4.340 -0.000 0.000 0.230 329 L C 1.960 178.888 176.870 0.096 0.000 1.141 329 L CA 0.853 55.724 54.840 0.052 0.000 0.877 329 L CB -1.660 40.404 42.059 0.008 0.000 1.009 329 L HN 0.328 nan 8.230 nan 0.000 0.447 330 A N -0.868 121.988 122.820 0.059 0.000 2.044 330 A HA -0.017 4.303 4.320 -0.000 0.000 0.213 330 A C 1.137 178.934 177.584 0.354 0.000 1.169 330 A CA 0.073 52.190 52.037 0.133 0.000 0.724 330 A CB -0.447 18.479 19.000 -0.124 0.000 0.840 330 A HN 0.491 nan 8.150 nan 0.000 0.463 331 H N 0.889 120.022 119.070 0.104 0.000 2.610 331 H HA 0.180 4.736 4.556 0.000 0.000 0.336 331 H C -1.679 173.728 175.328 0.132 0.000 1.087 331 H CA -1.377 54.691 56.048 0.034 0.000 1.405 331 H CB 1.537 31.162 29.762 -0.227 0.000 1.460 331 H HN 0.096 nan 8.280 nan 0.000 0.538 332 P HA -0.155 nan 4.420 nan 0.000 0.225 332 P C 0.279 177.678 177.300 0.164 0.000 1.148 332 P CA 0.688 63.807 63.100 0.032 0.000 0.779 332 P CB -0.162 31.508 31.700 -0.051 0.000 0.780 333 Y N 2.171 122.652 120.300 0.301 0.000 2.526 333 Y HA 0.322 4.872 4.550 -0.000 0.000 0.330 333 Y C 1.320 177.287 175.900 0.111 0.000 1.156 333 Y CA 1.224 59.456 58.100 0.221 0.000 1.419 333 Y CB -0.292 38.331 38.460 0.271 0.000 1.250 333 Y HN 0.301 nan 8.280 nan 0.000 0.540 334 G N 4.610 113.033 108.800 -0.628 0.000 2.806 334 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.236 334 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.236 334 G C -1.244 173.596 174.900 -0.101 0.000 1.387 334 G CA -0.166 44.666 45.100 -0.447 0.000 0.884 334 G HN 0.925 nan 8.290 nan 0.000 0.560 335 F N 2.011 121.857 119.950 -0.174 0.000 2.404 335 F HA 0.619 5.146 4.527 -0.000 0.000 0.354 335 F C 1.201 176.955 175.800 -0.076 0.000 1.122 335 F CA 0.055 57.989 58.000 -0.111 0.000 1.080 335 F CB 1.349 40.291 39.000 -0.096 0.000 1.131 335 F HN 0.806 nan 8.300 nan 0.000 0.471 336 T N 4.106 118.297 114.554 -0.605 0.000 2.856 336 T HA 0.419 4.769 4.350 -0.000 0.000 0.292 336 T C -0.329 174.162 174.700 -0.349 0.000 0.980 336 T CA -0.887 60.992 62.100 -0.369 0.000 1.091 336 T CB 1.386 70.089 68.868 -0.274 0.000 0.936 336 T HN 0.775 nan 8.240 nan 0.000 0.503 337 R N 2.052 122.508 120.500 -0.072 0.000 2.439 337 R HA 0.589 4.929 4.340 -0.000 0.000 0.310 337 R C -1.088 175.257 176.300 0.075 0.000 0.955 337 R CA -0.816 55.297 56.100 0.021 0.000 0.853 337 R CB 1.668 32.027 30.300 0.098 0.000 1.171 337 R HN 0.656 nan 8.270 nan 0.000 0.449 338 V N 5.920 125.883 119.914 0.081 0.000 2.481 338 V HA 0.439 4.559 4.120 -0.000 0.000 0.286 338 V C -0.323 175.847 176.094 0.126 0.000 1.042 338 V CA -0.723 61.646 62.300 0.115 0.000 0.928 338 V CB 1.517 33.434 31.823 0.156 0.000 0.986 338 V HN 0.899 nan 8.190 nan 0.000 0.462 339 M N 5.976 125.666 119.600 0.150 0.000 2.314 339 M HA 0.546 5.026 4.480 -0.000 0.000 0.342 339 M C -0.250 176.091 176.300 0.070 0.000 1.171 339 M CA 0.746 56.124 55.300 0.130 0.000 1.098 339 M CB 1.503 34.207 32.600 0.174 0.000 1.559 339 M HN 0.740 nan 8.290 nan 0.000 0.459 340 S N 2.476 118.183 115.700 0.011 0.000 2.779 340 S HA 0.774 5.244 4.470 -0.000 0.000 0.293 340 S C -1.252 173.412 174.600 0.107 0.000 1.150 340 S CA -0.638 57.581 58.200 0.031 0.000 1.057 340 S CB 0.568 63.732 63.200 -0.061 0.000 1.021 340 S HN 0.849 nan 8.310 nan 0.000 0.485 341 S N 3.028 118.771 115.700 0.073 0.000 2.798 341 S HA 0.810 5.280 4.470 -0.000 0.000 0.312 341 S C -1.237 173.460 174.600 0.162 0.000 1.122 341 S CA -0.818 57.441 58.200 0.099 0.000 0.949 341 S CB 0.628 63.795 63.200 -0.055 0.000 1.235 341 S HN 0.771 nan 8.310 nan 0.000 0.552 342 Y N -0.934 119.446 120.300 0.134 0.000 2.524 342 Y HA 0.787 5.336 4.550 -0.000 0.000 0.344 342 Y C -0.350 175.553 175.900 0.006 0.000 1.012 342 Y CA -1.434 56.629 58.100 -0.061 0.000 1.068 342 Y CB 0.728 38.996 38.460 -0.320 0.000 1.249 342 Y HN 0.432 nan 8.280 nan 0.000 0.468 343 R N 1.764 122.339 120.500 0.125 0.000 2.390 343 R HA 0.388 4.728 4.340 -0.000 0.000 0.291 343 R C -1.501 175.105 176.300 0.510 0.000 1.070 343 R CA -0.217 56.003 56.100 0.200 0.000 1.014 343 R CB 0.691 31.003 30.300 0.019 0.000 1.007 343 R HN 0.928 nan 8.270 nan 0.000 0.466 344 W N 3.329 124.859 121.300 0.384 0.000 3.033 344 W HA 0.506 5.165 4.660 -0.001 0.000 0.336 344 W C -2.572 174.101 176.519 0.257 0.000 1.173 344 W CA -2.596 54.912 57.345 0.273 0.000 1.185 344 W CB 0.544 30.150 29.460 0.243 0.000 1.425 344 W HN 0.343 nan 8.180 nan 0.000 0.536 345 P HA 0.100 nan 4.420 nan 0.000 0.256 345 P C -0.309 176.912 177.300 -0.132 0.000 1.688 345 P CA -0.030 63.067 63.100 -0.005 0.000 1.162 345 P CB 0.285 32.011 31.700 0.043 0.000 1.870 346 R N 2.506 122.701 120.500 -0.509 0.000 2.446 346 R HA 0.042 4.382 4.340 -0.000 0.000 0.314 346 R C 0.144 176.219 176.300 -0.375 0.000 1.003 346 R CA 0.347 56.093 56.100 -0.590 0.000 1.018 346 R CB 0.123 29.749 30.300 -1.124 0.000 0.945 346 R HN 0.393 nan 8.270 nan 0.000 0.419 347 Q N 4.395 124.028 119.800 -0.278 0.000 2.454 347 Q HA 0.218 4.558 4.340 -0.000 0.000 0.255 347 Q C -1.449 174.445 176.000 -0.178 0.000 1.034 347 Q CA -0.489 55.224 55.803 -0.151 0.000 0.736 347 Q CB 0.655 29.374 28.738 -0.033 0.000 1.210 347 Q HN 0.459 nan 8.270 nan 0.000 0.500 348 F N 2.336 122.261 119.950 -0.041 0.000 2.444 348 F HA 0.243 4.770 4.527 -0.001 0.000 0.360 348 F C 0.299 176.100 175.800 0.001 0.000 1.106 348 F CA 0.129 58.117 58.000 -0.020 0.000 1.170 348 F CB 0.983 39.948 39.000 -0.058 0.000 1.113 348 F HN 0.360 nan 8.300 nan 0.000 0.521 349 Q N 2.802 122.725 119.800 0.205 0.000 2.327 349 Q HA 0.286 4.626 4.340 -0.000 0.000 0.270 349 Q C -0.203 175.878 176.000 0.136 0.000 1.022 349 Q CA -0.713 55.172 55.803 0.137 0.000 0.773 349 Q CB 1.224 30.020 28.738 0.097 0.000 1.251 349 Q HN 0.706 nan 8.270 nan 0.000 0.457 350 N N 1.836 120.596 118.700 0.101 0.000 2.735 350 N HA -0.277 4.463 4.740 -0.000 0.000 0.248 350 N C 0.458 176.022 175.510 0.091 0.000 1.083 350 N CA 0.249 53.344 53.050 0.074 0.000 0.703 350 N CB -0.693 37.831 38.487 0.062 0.000 1.005 350 N HN 1.078 nan 8.380 nan 0.000 0.550 351 G N -0.458 108.411 108.800 0.115 0.000 2.179 351 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.260 351 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.260 351 G C -0.169 174.909 174.900 0.297 0.000 0.977 351 G CA 0.615 45.774 45.100 0.098 0.000 0.641 351 G HN 0.914 nan 8.290 nan 0.000 0.533 352 N N -0.449 118.483 118.700 0.388 0.000 2.258 352 N HA 0.490 5.230 4.740 -0.000 0.000 0.299 352 N C -1.147 174.475 175.510 0.187 0.000 1.047 352 N CA -0.591 52.673 53.050 0.358 0.000 0.814 352 N CB 2.006 40.602 38.487 0.182 0.000 1.413 352 N HN -0.006 nan 8.380 nan 0.000 0.478 353 D N 2.026 122.338 120.400 -0.147 0.000 2.338 353 D HA 0.016 4.656 4.640 -0.000 0.000 0.255 353 D C 1.199 177.474 176.300 -0.042 0.000 1.237 353 D CA -0.667 53.056 54.000 -0.462 0.000 0.883 353 D CB 1.253 41.653 40.800 -0.667 0.000 1.087 353 D HN 0.475 nan 8.370 nan 0.000 0.485 354 V N 1.769 121.695 119.914 0.020 0.000 3.380 354 V HA 0.112 4.232 4.120 -0.000 0.000 0.268 354 V C 0.646 176.908 176.094 0.279 0.000 1.168 354 V CA 0.582 62.982 62.300 0.168 0.000 1.156 354 V CB -0.451 31.467 31.823 0.159 0.000 0.785 354 V HN 0.355 nan 8.190 nan 0.000 0.487 355 N N 1.927 120.715 118.700 0.148 0.000 2.380 355 N HA 0.096 4.836 4.740 -0.000 0.000 0.255 355 N C 0.830 176.278 175.510 -0.102 0.000 1.158 355 N CA 0.682 53.722 53.050 -0.018 0.000 0.878 355 N CB 0.233 38.737 38.487 0.028 0.000 1.138 355 N HN 0.789 nan 8.380 nan 0.000 0.509 356 D N -0.563 119.916 120.400 0.132 0.000 2.371 356 D HA -0.134 4.506 4.640 -0.000 0.000 0.221 356 D C 1.484 177.967 176.300 0.303 0.000 0.986 356 D CA 0.227 54.326 54.000 0.165 0.000 0.899 356 D CB -0.384 40.643 40.800 0.378 0.000 0.902 356 D HN 0.498 nan 8.370 nan 0.000 0.530 357 W N 0.728 122.229 121.300 0.336 0.000 2.942 357 W HA 0.294 4.954 4.660 -0.000 0.000 0.263 357 W C -0.243 176.344 176.519 0.113 0.000 1.296 357 W CA -0.589 56.914 57.345 0.262 0.000 1.504 357 W CB -0.662 28.931 29.460 0.221 0.000 1.096 357 W HN -0.309 nan 8.180 nan 0.000 0.639 358 V N 3.558 122.964 119.914 -0.848 0.000 2.584 358 V HA 0.120 4.240 4.120 -0.000 0.000 0.303 358 V C 1.443 177.506 176.094 -0.052 0.000 1.035 358 V CA 1.015 62.872 62.300 -0.738 0.000 1.172 358 V CB -0.418 31.037 31.823 -0.614 0.000 0.896 358 V HN 0.177 nan 8.190 nan 0.000 0.486 359 G N 6.755 115.529 108.800 -0.045 0.000 2.535 359 G HA2 0.459 4.419 3.960 -0.000 0.000 0.282 359 G HA3 0.459 4.419 3.960 -0.000 0.000 0.282 359 G C -2.370 172.239 174.900 -0.484 0.000 1.350 359 G CA -1.050 44.014 45.100 -0.061 0.000 1.039 359 G HN 0.641 nan 8.290 nan 0.000 0.509 360 P HA 0.167 nan 4.420 nan 0.000 0.269 360 P C -2.605 174.184 177.300 -0.851 0.000 1.215 360 P CA -0.930 61.338 63.100 -1.387 0.000 0.780 360 P CB -0.102 31.142 31.700 -0.760 0.000 0.898 361 P HA 0.009 nan 4.420 nan 0.000 0.263 361 P C -0.252 176.846 177.300 -0.337 0.000 1.175 361 P CA 0.765 63.513 63.100 -0.587 0.000 0.761 361 P CB -0.149 31.073 31.700 -0.796 0.000 0.794 362 N N 0.766 119.360 118.700 -0.177 0.000 3.020 362 N HA 0.382 5.122 4.740 -0.000 0.000 0.248 362 N C -1.620 173.880 175.510 -0.016 0.000 1.480 362 N CA -1.063 51.943 53.050 -0.073 0.000 0.874 362 N CB 1.080 39.547 38.487 -0.033 0.000 1.433 362 N HN 0.088 nan 8.380 nan 0.000 0.530 363 N N -0.363 118.347 118.700 0.016 0.000 2.623 363 N HA 0.379 5.119 4.740 -0.000 0.000 0.256 363 N C -1.337 174.215 175.510 0.069 0.000 1.045 363 N CA -0.649 52.418 53.050 0.027 0.000 0.863 363 N CB 0.808 39.301 38.487 0.011 0.000 1.182 363 N HN 0.791 nan 8.380 nan 0.000 0.523 364 N N 1.596 120.356 118.700 0.101 0.000 2.754 364 N HA -0.219 4.521 4.740 -0.000 0.000 0.248 364 N C 0.896 176.603 175.510 0.327 0.000 1.093 364 N CA 0.951 54.103 53.050 0.169 0.000 0.699 364 N CB -0.729 37.817 38.487 0.099 0.000 1.016 364 N HN 0.938 nan 8.380 nan 0.000 0.552 365 G N -2.645 106.383 108.800 0.378 0.000 2.268 365 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.240 365 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.240 365 G C 0.103 175.018 174.900 0.024 0.000 1.010 365 G CA 0.098 45.299 45.100 0.168 0.000 0.618 365 G HN 0.494 nan 8.290 nan 0.000 0.516 366 V N 3.241 123.182 119.914 0.046 0.000 2.427 366 V HA 0.374 4.494 4.120 -0.000 0.000 0.268 366 V C 1.337 177.418 176.094 -0.021 0.000 1.046 366 V CA -0.450 61.851 62.300 0.001 0.000 0.970 366 V CB 1.007 32.838 31.823 0.014 0.000 1.001 366 V HN 0.359 nan 8.190 nan 0.000 0.476 367 I N 5.223 125.763 120.570 -0.049 0.000 2.752 367 I HA 0.018 4.188 4.170 -0.000 0.000 0.289 367 I C 0.937 177.057 176.117 0.005 0.000 1.197 367 I CA 0.298 61.574 61.300 -0.040 0.000 1.432 367 I CB 0.168 38.142 38.000 -0.043 0.000 1.359 367 I HN 0.586 nan 8.210 nan 0.000 0.571 368 K N 6.097 126.521 120.400 0.040 0.000 2.258 368 K HA 0.115 4.435 4.320 -0.000 0.000 0.264 368 K C 0.154 176.843 176.600 0.149 0.000 1.007 368 K CA -0.466 55.867 56.287 0.077 0.000 0.941 368 K CB 0.587 33.115 32.500 0.046 0.000 0.966 368 K HN 0.580 nan 8.250 nan 0.000 0.480 369 E N 0.621 120.846 120.200 0.042 0.000 2.373 369 E HA 0.103 4.453 4.350 -0.000 0.000 0.263 369 E C -0.731 175.792 176.600 -0.128 0.000 1.073 369 E CA -0.747 55.602 56.400 -0.084 0.000 0.894 369 E CB 0.747 30.399 29.700 -0.080 0.000 1.008 369 E HN 0.050 nan 8.360 nan 0.000 0.420 370 V N 3.236 122.843 119.914 -0.512 0.000 2.405 370 V HA 0.098 4.218 4.120 -0.000 0.000 0.264 370 V C 0.429 176.344 176.094 -0.299 0.000 1.048 370 V CA -0.120 61.753 62.300 -0.711 0.000 0.966 370 V CB 0.135 31.118 31.823 -1.401 0.000 1.015 370 V HN 0.820 nan 8.190 nan 0.000 0.477 371 T N 4.211 118.700 114.554 -0.109 0.000 2.907 371 T HA 0.678 5.028 4.350 -0.000 0.000 0.284 371 T C -0.469 174.206 174.700 -0.041 0.000 1.004 371 T CA -0.761 61.306 62.100 -0.054 0.000 1.063 371 T CB 1.525 70.389 68.868 -0.005 0.000 0.992 371 T HN 0.221 nan 8.240 nan 0.000 0.483 372 I N 3.050 123.602 120.570 -0.029 0.000 2.378 372 I HA 0.372 4.542 4.170 -0.000 0.000 0.291 372 I C 0.089 176.207 176.117 0.003 0.000 0.992 372 I CA -1.043 60.249 61.300 -0.015 0.000 1.154 372 I CB 1.299 39.293 38.000 -0.009 0.000 1.315 372 I HN 0.690 nan 8.210 nan 0.000 0.448 373 N N 8.126 126.832 118.700 0.010 0.000 2.493 373 N HA 0.313 5.053 4.740 -0.000 0.000 0.275 373 N C -1.564 173.958 175.510 0.020 0.000 1.186 373 N CA -1.431 51.627 53.050 0.015 0.000 0.978 373 N CB 0.781 39.277 38.487 0.015 0.000 1.184 373 N HN 0.325 nan 8.380 nan 0.000 0.487 374 P HA -0.155 nan 4.420 nan 0.000 0.218 374 P C 0.238 177.556 177.300 0.030 0.000 1.146 374 P CA 1.363 64.478 63.100 0.024 0.000 0.813 374 P CB 0.136 31.848 31.700 0.019 0.000 0.778 375 D N -1.383 119.033 120.400 0.027 0.000 2.319 375 D HA -0.033 4.607 4.640 -0.000 0.000 0.230 375 D C 0.708 177.036 176.300 0.046 0.000 1.094 375 D CA 0.947 54.965 54.000 0.031 0.000 0.856 375 D CB -1.143 39.667 40.800 0.017 0.000 0.915 375 D HN 0.257 nan 8.370 nan 0.000 0.517 376 T N -4.393 110.190 114.554 0.048 0.000 5.975 376 T HA -0.266 4.084 4.350 -0.000 0.000 0.273 376 T C 0.513 175.222 174.700 0.015 0.000 2.189 376 T CA 1.385 63.517 62.100 0.054 0.000 3.660 376 T CB -3.087 65.852 68.868 0.118 0.000 1.044 376 T HN 0.574 nan 8.240 nan 0.000 1.166 377 T N -1.154 113.413 114.554 0.023 0.000 2.810 377 T HA 0.679 5.029 4.350 -0.000 0.000 0.277 377 T C 0.818 175.529 174.700 0.019 0.000 0.973 377 T CA -0.308 61.809 62.100 0.029 0.000 0.949 377 T CB 1.376 70.268 68.868 0.040 0.000 1.075 377 T HN 0.607 nan 8.240 nan 0.000 0.537 378 c N 0.299 118.927 118.600 0.048 0.000 2.397 378 c HA 0.902 5.472 4.570 -0.000 0.000 0.343 378 c C 1.301 175.439 174.090 0.080 0.000 1.188 378 c CA -0.336 56.027 56.329 0.056 0.000 1.992 378 c CB 0.799 43.366 42.510 0.095 0.000 2.358 378 c HN 1.196 nan 8.230 nan 0.000 0.518 379 G N 0.249 109.098 108.800 0.082 0.000 2.971 379 G HA2 0.484 4.444 3.960 -0.000 0.000 0.235 379 G HA3 0.484 4.444 3.960 -0.000 0.000 0.235 379 G C -0.109 174.866 174.900 0.126 0.000 1.351 379 G CA -0.219 44.925 45.100 0.073 0.000 1.039 379 G HN 0.718 nan 8.290 nan 0.000 0.563 380 N N 0.044 118.775 118.700 0.052 0.000 2.741 380 N HA -0.149 4.591 4.740 -0.000 0.000 0.250 380 N C 0.071 175.450 175.510 -0.217 0.000 1.115 380 N CA 1.344 54.389 53.050 -0.008 0.000 0.724 380 N CB -0.563 37.996 38.487 0.121 0.000 1.090 380 N HN 0.647 nan 8.380 nan 0.000 0.558 381 D N -4.203 116.108 120.400 -0.147 0.000 3.006 381 D HA -0.220 4.420 4.640 -0.000 0.000 0.205 381 D C -0.431 175.714 176.300 -0.257 0.000 1.075 381 D CA 1.084 54.959 54.000 -0.208 0.000 1.000 381 D CB -1.495 39.150 40.800 -0.259 0.000 1.097 381 D HN 0.543 nan 8.370 nan 0.000 0.426 382 W N 0.482 121.755 121.300 -0.045 0.000 2.287 382 W HA 0.374 5.034 4.660 0.000 0.000 0.313 382 W C 1.742 178.241 176.519 -0.034 0.000 1.267 382 W CA -0.898 56.433 57.345 -0.023 0.000 1.201 382 W CB 0.711 30.108 29.460 -0.105 0.000 1.196 382 W HN -0.276 nan 8.180 nan 0.000 0.536 383 V N 2.273 122.253 119.914 0.110 0.000 2.488 383 V HA -0.224 3.896 4.120 -0.000 0.000 0.246 383 V C 1.191 177.344 176.094 0.098 0.000 1.046 383 V CA 0.441 62.703 62.300 -0.062 0.000 1.053 383 V CB -0.907 30.567 31.823 -0.582 0.000 0.679 383 V HN 0.862 nan 8.190 nan 0.000 0.458 384 c N 1.404 120.092 118.600 0.147 0.000 3.727 384 c HA -0.153 4.417 4.570 -0.000 0.000 0.293 384 c C 1.638 175.575 174.090 -0.254 0.000 1.339 384 c CA 0.518 56.886 56.329 0.064 0.000 2.150 384 c CB -2.507 40.004 42.510 0.002 0.000 1.383 384 c HN 0.678 nan 8.230 nan 0.000 0.614 385 E N 0.362 120.304 120.200 -0.430 0.000 2.204 385 E HA -0.170 4.180 4.350 -0.000 0.000 0.195 385 E C 1.957 178.267 176.600 -0.484 0.000 0.990 385 E CA 1.554 57.309 56.400 -1.075 0.000 0.821 385 E CB -0.136 29.101 29.700 -0.773 0.000 0.750 385 E HN 0.974 nan 8.360 nan 0.000 0.477 386 H N -0.280 118.665 119.070 -0.207 0.000 2.545 386 H HA 0.110 4.666 4.556 -0.000 0.000 0.282 386 H C 1.336 176.739 175.328 0.124 0.000 1.020 386 H CA 0.819 56.870 56.048 0.004 0.000 1.243 386 H CB 0.011 29.676 29.762 -0.163 0.000 1.377 386 H HN 0.073 nan 8.280 nan 0.000 0.581 387 R N -0.540 119.699 120.500 -0.435 0.000 2.312 387 R HA 0.056 4.396 4.340 -0.000 0.000 0.205 387 R C -0.240 176.204 176.300 0.240 0.000 0.904 387 R CA -0.424 55.541 56.100 -0.225 0.000 1.052 387 R CB 0.266 30.248 30.300 -0.529 0.000 1.014 387 R HN 0.106 nan 8.270 nan 0.000 0.503 388 W N 1.827 123.152 121.300 0.041 0.000 2.251 388 W HA 0.117 4.777 4.660 -0.000 0.000 0.327 388 W C 1.569 178.167 176.519 0.132 0.000 1.361 388 W CA -1.000 56.399 57.345 0.089 0.000 1.234 388 W CB 0.023 29.555 29.460 0.120 0.000 1.212 388 W HN 0.078 nan 8.180 nan 0.000 0.557 389 R N 1.738 122.421 120.500 0.305 0.000 2.113 389 R HA -0.307 4.033 4.340 -0.000 0.000 0.244 389 R C 1.700 178.128 176.300 0.213 0.000 1.142 389 R CA 2.515 58.746 56.100 0.219 0.000 0.953 389 R CB -0.015 30.360 30.300 0.125 0.000 0.860 389 R HN 0.492 nan 8.270 nan 0.000 0.438 390 Q N 0.022 119.955 119.800 0.222 0.000 2.170 390 Q HA -0.093 4.247 4.340 -0.000 0.000 0.203 390 Q C 1.988 178.141 176.000 0.255 0.000 0.976 390 Q CA 1.743 57.666 55.803 0.200 0.000 0.858 390 Q CB -0.038 28.843 28.738 0.239 0.000 0.907 390 Q HN 0.484 nan 8.270 nan 0.000 0.433 391 I N -0.431 120.325 120.570 0.309 0.000 2.429 391 I HA -0.121 4.049 4.170 -0.000 0.000 0.247 391 I C 2.482 178.737 176.117 0.232 0.000 1.099 391 I CA 0.407 61.854 61.300 0.244 0.000 1.422 391 I CB -0.217 37.913 38.000 0.217 0.000 1.112 391 I HN 0.136 nan 8.210 nan 0.000 0.430 392 R N 1.561 122.244 120.500 0.306 0.000 2.091 392 R HA -0.193 4.147 4.340 -0.000 0.000 0.238 392 R C 1.696 178.097 176.300 0.167 0.000 1.136 392 R CA 1.866 58.164 56.100 0.329 0.000 0.959 392 R CB -0.413 30.149 30.300 0.437 0.000 0.856 392 R HN 0.322 nan 8.270 nan 0.000 0.437 393 N N 0.021 118.823 118.700 0.170 0.000 2.331 393 N HA -0.078 4.662 4.740 -0.000 0.000 0.180 393 N C 1.524 177.129 175.510 0.158 0.000 1.019 393 N CA 0.929 54.070 53.050 0.153 0.000 0.881 393 N CB -0.071 38.507 38.487 0.152 0.000 0.972 393 N HN 0.209 nan 8.380 nan 0.000 0.435 394 M N -0.234 119.441 119.600 0.126 0.000 2.388 394 M HA 0.073 4.553 4.480 -0.000 0.000 0.265 394 M C 1.822 178.160 176.300 0.063 0.000 1.088 394 M CA 0.351 55.708 55.300 0.096 0.000 1.134 394 M CB -0.546 32.085 32.600 0.051 0.000 1.384 394 M HN -0.117 nan 8.290 nan 0.000 0.447 395 V N 0.556 120.455 119.914 -0.024 0.000 2.343 395 V HA -0.245 3.875 4.120 -0.000 0.000 0.247 395 V C 2.278 178.258 176.094 -0.189 0.000 1.051 395 V CA 1.507 63.691 62.300 -0.192 0.000 1.036 395 V CB -0.406 31.116 31.823 -0.503 0.000 0.654 395 V HN 0.339 nan 8.190 nan 0.000 0.451 396 I N -1.114 119.378 120.570 -0.129 0.000 2.353 396 I HA -0.205 3.965 4.170 -0.000 0.000 0.248 396 I C 2.247 178.259 176.117 -0.175 0.000 1.119 396 I CA 1.402 62.619 61.300 -0.139 0.000 1.417 396 I CB -0.385 37.570 38.000 -0.074 0.000 1.078 396 I HN 0.324 nan 8.210 nan 0.000 0.421 397 F N 1.951 121.746 119.950 -0.259 0.000 2.126 397 F HA -0.268 4.259 4.527 0.000 0.000 0.299 397 F C 2.672 178.344 175.800 -0.214 0.000 1.096 397 F CA 1.770 59.580 58.000 -0.318 0.000 1.255 397 F CB -0.319 38.634 39.000 -0.078 0.000 0.997 397 F HN -0.143 nan 8.300 nan 0.000 0.479 398 R N 0.226 120.833 120.500 0.177 0.000 2.096 398 R HA -0.170 4.170 4.340 -0.000 0.000 0.235 398 R C 2.051 178.308 176.300 -0.071 0.000 1.127 398 R CA 1.687 57.840 56.100 0.088 0.000 0.968 398 R CB -0.330 29.989 30.300 0.032 0.000 0.861 398 R HN 0.280 nan 8.270 nan 0.000 0.440 399 N N 0.030 118.654 118.700 -0.126 0.000 2.084 399 N HA -0.141 4.599 4.740 -0.000 0.000 0.190 399 N C 1.770 177.183 175.510 -0.160 0.000 1.030 399 N CA 1.432 54.401 53.050 -0.134 0.000 0.849 399 N CB -0.415 37.986 38.487 -0.143 0.000 1.012 399 N HN 0.042 nan 8.380 nan 0.000 0.423 400 V N 1.072 120.832 119.914 -0.256 0.000 2.407 400 V HA -0.138 3.982 4.120 -0.000 0.000 0.248 400 V C 2.081 178.027 176.094 -0.245 0.000 1.055 400 V CA 1.583 63.714 62.300 -0.283 0.000 1.049 400 V CB -0.548 30.982 31.823 -0.487 0.000 0.662 400 V HN 0.319 nan 8.190 nan 0.000 0.455 401 V N -2.061 117.676 119.914 -0.294 0.000 3.596 401 V HA 0.254 4.374 4.120 -0.000 0.000 0.289 401 V C 0.607 176.651 176.094 -0.083 0.000 1.336 401 V CA -0.255 61.923 62.300 -0.203 0.000 1.137 401 V CB -0.427 31.230 31.823 -0.277 0.000 0.966 401 V HN 0.448 nan 8.190 nan 0.000 0.428 402 D N 1.798 122.153 120.400 -0.075 0.000 2.581 402 D HA 0.351 4.991 4.640 -0.000 0.000 0.238 402 D C 1.491 177.781 176.300 -0.018 0.000 1.145 402 D CA 2.103 56.083 54.000 -0.034 0.000 0.866 402 D CB 0.330 41.107 40.800 -0.039 0.000 1.151 402 D HN 0.643 nan 8.370 nan 0.000 0.500 403 G N 3.194 111.995 108.800 0.001 0.000 2.241 403 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.244 403 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.244 403 G C 0.227 175.139 174.900 0.020 0.000 0.998 403 G CA 0.023 45.127 45.100 0.008 0.000 0.621 403 G HN 0.585 nan 8.290 nan 0.000 0.519 404 Q N 1.692 121.505 119.800 0.023 0.000 2.327 404 Q HA 0.401 4.741 4.340 -0.000 0.000 0.254 404 Q C -1.960 174.084 176.000 0.075 0.000 0.952 404 Q CA -1.251 54.577 55.803 0.042 0.000 0.884 404 Q CB 1.278 30.035 28.738 0.032 0.000 1.224 404 Q HN 0.426 nan 8.270 nan 0.000 0.422 405 P HA 0.122 nan 4.420 nan 0.000 0.276 405 P C -0.717 176.694 177.300 0.185 0.000 1.252 405 P CA -0.454 62.719 63.100 0.123 0.000 0.802 405 P CB 0.494 32.257 31.700 0.106 0.000 1.035 406 F N 2.145 122.111 119.950 0.026 0.000 2.445 406 F HA 0.365 4.892 4.527 0.000 0.000 0.359 406 F C 0.203 176.073 175.800 0.116 0.000 1.101 406 F CA 0.906 58.926 58.000 0.034 0.000 1.177 406 F CB 0.194 39.118 39.000 -0.127 0.000 1.110 406 F HN 0.427 nan 8.300 nan 0.000 0.522 407 T N 1.645 116.081 114.554 -0.198 0.000 2.671 407 T HA 0.289 4.639 4.350 -0.000 0.000 0.300 407 T C -0.477 174.212 174.700 -0.017 0.000 1.238 407 T CA -1.245 60.822 62.100 -0.056 0.000 1.020 407 T CB 1.166 70.079 68.868 0.075 0.000 1.503 407 T HN 0.488 nan 8.240 nan 0.000 0.497 408 N N 0.770 119.544 118.700 0.124 0.000 2.705 408 N HA -0.130 4.610 4.740 -0.000 0.000 0.255 408 N C -0.552 175.125 175.510 0.278 0.000 1.008 408 N CA 0.624 53.810 53.050 0.227 0.000 0.742 408 N CB -0.720 37.942 38.487 0.292 0.000 0.906 408 N HN 0.713 nan 8.380 nan 0.000 0.541 409 W N 1.144 122.479 121.300 0.059 0.000 2.218 409 W HA 0.364 5.024 4.660 -0.000 0.000 0.326 409 W C -0.531 176.133 176.519 0.241 0.000 1.276 409 W CA -0.333 57.080 57.345 0.112 0.000 1.210 409 W CB 0.390 29.906 29.460 0.094 0.000 1.143 409 W HN 0.229 nan 8.180 nan 0.000 0.563 410 Y N 5.142 125.050 120.300 -0.652 0.000 2.492 410 Y HA 0.412 4.962 4.550 0.000 0.000 0.346 410 Y C -1.627 173.869 175.900 -0.673 0.000 0.997 410 Y CA -0.871 56.987 58.100 -0.403 0.000 1.025 410 Y CB 1.479 39.872 38.460 -0.112 0.000 1.263 410 Y HN 0.533 nan 8.280 nan 0.000 0.454 411 D N 1.988 121.561 120.400 -1.378 0.000 2.736 411 D HA 0.196 4.836 4.640 -0.000 0.000 0.223 411 D C -1.147 174.643 176.300 -0.849 0.000 1.231 411 D CA -0.816 52.625 54.000 -0.931 0.000 0.818 411 D CB 1.034 41.722 40.800 -0.186 0.000 1.587 411 D HN 0.462 nan 8.370 nan 0.000 0.463 412 N N 1.276 119.747 118.700 -0.382 0.000 2.276 412 N HA 0.189 4.929 4.740 -0.000 0.000 0.212 412 N C 1.370 176.905 175.510 0.042 0.000 1.127 412 N CA 0.232 53.258 53.050 -0.039 0.000 0.834 412 N CB 0.309 38.940 38.487 0.239 0.000 1.014 412 N HN 1.034 nan 8.380 nan 0.000 0.491 413 G N -1.419 107.380 108.800 -0.002 0.000 2.184 413 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.264 413 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.264 413 G C 0.423 175.339 174.900 0.025 0.000 0.975 413 G CA 0.733 45.861 45.100 0.046 0.000 0.642 413 G HN 0.638 nan 8.290 nan 0.000 0.536 414 S N -0.801 114.909 115.700 0.016 0.000 3.657 414 S HA 0.436 4.906 4.470 -0.000 0.000 0.183 414 S C 0.949 175.475 174.600 -0.123 0.000 0.995 414 S CA 0.752 58.945 58.200 -0.012 0.000 1.333 414 S CB 0.187 63.474 63.200 0.145 0.000 1.197 414 S HN 0.309 nan 8.310 nan 0.000 0.856 415 N N 0.537 119.137 118.700 -0.167 0.000 2.291 415 N HA 0.347 5.087 4.740 -0.000 0.000 0.244 415 N C -1.288 174.080 175.510 -0.237 0.000 1.216 415 N CA -0.059 52.855 53.050 -0.227 0.000 0.879 415 N CB 1.156 39.490 38.487 -0.255 0.000 1.167 415 N HN 0.270 nan 8.380 nan 0.000 0.515 416 Q N 1.566 121.253 119.800 -0.188 0.000 2.394 416 Q HA 0.450 4.790 4.340 -0.000 0.000 0.259 416 Q C -0.879 174.998 176.000 -0.205 0.000 1.021 416 Q CA -0.687 54.998 55.803 -0.196 0.000 0.805 416 Q CB 1.974 30.698 28.738 -0.023 0.000 1.226 416 Q HN 0.128 nan 8.270 nan 0.000 0.476 417 V N -1.099 118.653 119.914 -0.270 0.000 3.102 417 V HA 1.061 5.181 4.120 -0.000 0.000 0.312 417 V C -1.227 174.664 176.094 -0.338 0.000 1.135 417 V CA -0.848 61.207 62.300 -0.409 0.000 1.022 417 V CB 2.003 33.501 31.823 -0.542 0.000 1.056 417 V HN 0.689 nan 8.190 nan 0.000 0.436 418 A N 1.988 124.509 122.820 -0.498 0.000 2.604 418 A HA 1.023 5.343 4.320 -0.000 0.000 0.295 418 A C -1.203 176.141 177.584 -0.401 0.000 1.067 418 A CA -0.204 51.547 52.037 -0.476 0.000 0.683 418 A CB 1.726 20.468 19.000 -0.430 0.000 1.281 418 A HN 2.421 nan 8.150 nan 0.000 0.407 419 F N -1.140 118.399 119.950 -0.685 0.000 2.741 419 F HA 0.845 5.372 4.527 -0.000 0.000 0.311 419 F C -0.073 175.345 175.800 -0.638 0.000 1.149 419 F CA -0.302 57.410 58.000 -0.481 0.000 0.930 419 F CB 0.802 39.651 39.000 -0.253 0.000 1.312 419 F HN 1.133 nan 8.300 nan 0.000 0.450 420 G N 0.504 109.294 108.800 -0.017 0.000 2.714 420 G HA2 0.680 4.640 3.960 -0.000 0.000 0.292 420 G HA3 0.680 4.640 3.960 -0.000 0.000 0.292 420 G C -1.611 173.419 174.900 0.216 0.000 1.308 420 G CA -1.331 43.845 45.100 0.126 0.000 0.964 420 G HN 0.595 nan 8.290 nan 0.000 0.484 421 R N 0.432 121.053 120.500 0.202 0.000 2.312 421 R HA 0.486 4.826 4.340 -0.000 0.000 0.310 421 R C 0.898 177.260 176.300 0.103 0.000 1.064 421 R CA 0.087 56.290 56.100 0.172 0.000 0.983 421 R CB 0.359 30.759 30.300 0.166 0.000 1.139 421 R HN 1.266 nan 8.270 nan 0.000 0.536 422 G N 3.616 112.477 108.800 0.102 0.000 2.634 422 G HA2 -0.435 3.525 3.960 -0.000 0.000 0.309 422 G HA3 -0.435 3.525 3.960 -0.000 0.000 0.309 422 G C 0.254 175.196 174.900 0.070 0.000 1.265 422 G CA 0.720 45.865 45.100 0.074 0.000 0.998 422 G HN 0.672 nan 8.290 nan 0.000 0.551 423 N N 0.430 119.159 118.700 0.048 0.000 2.401 423 N HA 0.255 4.995 4.740 -0.000 0.000 0.264 423 N C 1.178 176.709 175.510 0.036 0.000 1.238 423 N CA 0.056 53.132 53.050 0.043 0.000 0.889 423 N CB 0.597 39.109 38.487 0.040 0.000 1.196 423 N HN 0.658 nan 8.380 nan 0.000 0.511 424 R N -1.013 119.496 120.500 0.015 0.000 2.419 424 R HA 0.348 4.688 4.340 -0.000 0.000 0.235 424 R C 0.058 176.317 176.300 -0.067 0.000 0.899 424 R CA 0.278 56.368 56.100 -0.017 0.000 1.048 424 R CB 1.313 31.577 30.300 -0.060 0.000 1.182 424 R HN 0.262 nan 8.270 nan 0.000 0.544 425 G N 0.537 109.312 108.800 -0.042 0.000 2.703 425 G HA2 0.513 4.473 3.960 -0.000 0.000 0.294 425 G HA3 0.513 4.473 3.960 -0.000 0.000 0.294 425 G C -2.089 172.937 174.900 0.210 0.000 1.451 425 G CA -0.393 44.685 45.100 -0.037 0.000 0.869 425 G HN 0.004 nan 8.290 nan 0.000 0.516 426 F N 0.702 120.708 119.950 0.094 0.000 2.596 426 F HA 0.786 5.313 4.527 0.000 0.000 0.311 426 F C -1.108 174.609 175.800 -0.138 0.000 1.116 426 F CA -0.955 57.015 58.000 -0.050 0.000 0.957 426 F CB 2.069 41.012 39.000 -0.096 0.000 1.250 426 F HN 0.507 nan 8.300 nan 0.000 0.444 427 I N 5.760 125.733 120.570 -0.995 0.000 2.619 427 I HA 0.727 4.897 4.170 -0.000 0.000 0.292 427 I C -1.782 173.657 176.117 -1.130 0.000 1.100 427 I CA -0.737 60.009 61.300 -0.924 0.000 1.043 427 I CB 1.884 39.314 38.000 -0.950 0.000 1.239 427 I HN 0.363 nan 8.210 nan 0.000 0.420 428 V N 6.999 126.353 119.914 -0.934 0.000 2.656 428 V HA 0.539 4.659 4.120 -0.000 0.000 0.307 428 V C -0.983 174.654 176.094 -0.761 0.000 1.051 428 V CA -0.536 61.276 62.300 -0.813 0.000 0.893 428 V CB 1.749 33.087 31.823 -0.809 0.000 0.999 428 V HN 0.474 nan 8.190 nan 0.000 0.426 429 F N 2.439 122.140 119.950 -0.414 0.000 2.532 429 F HA 0.584 5.111 4.527 0.000 0.000 0.321 429 F C 0.146 175.716 175.800 -0.384 0.000 1.089 429 F CA -0.604 57.224 58.000 -0.288 0.000 0.926 429 F CB 2.032 40.878 39.000 -0.257 0.000 1.168 429 F HN 0.458 nan 8.300 nan 0.000 0.459 430 N N 1.970 120.619 118.700 -0.084 0.000 2.573 430 N HA 0.191 4.931 4.740 -0.000 0.000 0.262 430 N C -0.875 174.558 175.510 -0.127 0.000 1.029 430 N CA -0.243 52.706 53.050 -0.168 0.000 0.882 430 N CB 0.550 38.963 38.487 -0.124 0.000 1.204 430 N HN 0.554 nan 8.380 nan 0.000 0.519 431 N N 1.930 120.515 118.700 -0.192 0.000 2.275 431 N HA 0.171 4.911 4.740 -0.000 0.000 0.236 431 N C -1.052 174.301 175.510 -0.261 0.000 1.154 431 N CA -0.165 52.773 53.050 -0.187 0.000 0.866 431 N CB 0.349 38.718 38.487 -0.196 0.000 1.093 431 N HN 0.488 nan 8.380 nan 0.000 0.515 432 D N -0.531 119.620 120.400 -0.416 0.000 2.387 432 D HA 0.164 4.804 4.640 -0.000 0.000 0.255 432 D C -0.272 175.760 176.300 -0.447 0.000 1.081 432 D CA -0.169 53.423 54.000 -0.680 0.000 0.994 432 D CB 0.992 40.843 40.800 -1.583 0.000 1.127 432 D HN 0.038 nan 8.370 nan 0.000 0.513 433 D N 0.756 121.017 120.400 -0.232 0.000 2.538 433 D HA 0.166 4.806 4.640 -0.000 0.000 0.234 433 D C -0.278 176.204 176.300 0.303 0.000 1.191 433 D CA -0.099 53.952 54.000 0.086 0.000 0.828 433 D CB -0.214 40.696 40.800 0.183 0.000 0.981 433 D HN 0.300 nan 8.370 nan 0.000 0.490 434 W N -1.547 119.792 121.300 0.064 0.000 3.075 434 W HA 0.547 5.206 4.660 -0.000 0.000 0.334 434 W C -0.583 175.996 176.519 0.099 0.000 1.243 434 W CA -1.018 56.370 57.345 0.071 0.000 1.170 434 W CB 0.139 29.638 29.460 0.065 0.000 1.452 434 W HN -0.412 nan 8.180 nan 0.000 0.572 435 S N 1.309 117.214 115.700 0.342 0.000 2.585 435 S HA 0.410 4.880 4.470 -0.000 0.000 0.273 435 S C -1.213 173.565 174.600 0.296 0.000 1.339 435 S CA -0.297 58.045 58.200 0.237 0.000 1.028 435 S CB 0.325 63.639 63.200 0.191 0.000 0.906 435 S HN 0.401 nan 8.310 nan 0.000 0.528 436 F N 2.159 122.155 119.950 0.076 0.000 2.449 436 F HA 0.551 5.078 4.527 -0.000 0.000 0.342 436 F C -0.063 175.768 175.800 0.051 0.000 1.127 436 F CA -0.269 57.771 58.000 0.067 0.000 0.975 436 F CB 1.287 40.290 39.000 0.005 0.000 1.146 436 F HN 0.425 nan 8.300 nan 0.000 0.444 437 S N 7.733 123.091 115.700 -0.569 0.000 2.673 437 S HA 0.719 5.189 4.470 -0.000 0.000 0.256 437 S C -1.976 172.248 174.600 -0.628 0.000 1.141 437 S CA -0.437 57.503 58.200 -0.434 0.000 1.109 437 S CB 0.436 63.612 63.200 -0.040 0.000 1.101 437 S HN 0.787 nan 8.310 nan 0.000 0.471 438 L N 3.402 124.075 121.223 -0.917 0.000 2.582 438 L HA 0.647 4.987 4.340 -0.000 0.000 0.257 438 L C -0.697 175.936 176.870 -0.395 0.000 0.974 438 L CA -0.049 54.442 54.840 -0.582 0.000 0.851 438 L CB 2.259 43.890 42.059 -0.713 0.000 1.424 438 L HN 0.496 nan 8.230 nan 0.000 0.412 439 T N 3.949 118.462 114.554 -0.070 0.000 2.743 439 T HA 0.636 4.986 4.350 -0.000 0.000 0.293 439 T C -0.681 174.024 174.700 0.009 0.000 0.945 439 T CA -0.143 61.988 62.100 0.051 0.000 1.030 439 T CB 0.517 69.455 68.868 0.117 0.000 0.912 439 T HN 0.234 nan 8.240 nan 0.000 0.483 440 L N 2.940 124.213 121.223 0.083 0.000 2.323 440 L HA 0.539 4.879 4.340 -0.000 0.000 0.265 440 L C -0.019 176.820 176.870 -0.052 0.000 1.012 440 L CA -1.007 53.846 54.840 0.022 0.000 0.820 440 L CB 1.859 43.964 42.059 0.076 0.000 1.334 440 L HN 0.509 nan 8.230 nan 0.000 0.427 441 Q N -0.043 119.713 119.800 -0.073 0.000 2.314 441 Q HA 0.279 4.619 4.340 -0.000 0.000 0.257 441 Q C 0.598 176.394 176.000 -0.339 0.000 0.975 441 Q CA 0.497 56.228 55.803 -0.120 0.000 0.933 441 Q CB 1.002 29.732 28.738 -0.012 0.000 1.195 441 Q HN 0.740 nan 8.270 nan 0.000 0.426 442 T N 0.236 114.486 114.554 -0.507 0.000 3.014 442 T HA 0.263 4.613 4.350 -0.000 0.000 0.250 442 T C 1.258 175.798 174.700 -0.267 0.000 1.060 442 T CA 0.412 61.973 62.100 -0.898 0.000 1.040 442 T CB -0.072 68.280 68.868 -0.860 0.000 0.971 442 T HN 1.004 nan 8.240 nan 0.000 0.497 443 G N 1.399 110.121 108.800 -0.130 0.000 2.155 443 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.257 443 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.257 443 G C -0.081 174.808 174.900 -0.017 0.000 0.983 443 G CA 0.545 45.632 45.100 -0.023 0.000 0.676 443 G HN 0.651 nan 8.290 nan 0.000 0.528 444 L N 0.440 121.623 121.223 -0.067 0.000 2.352 444 L HA 0.558 4.898 4.340 -0.000 0.000 0.269 444 L C -1.813 175.077 176.870 0.034 0.000 1.034 444 L CA -2.528 52.292 54.840 -0.032 0.000 0.806 444 L CB 1.313 43.267 42.059 -0.175 0.000 1.244 444 L HN -0.138 nan 8.230 nan 0.000 0.447 445 P HA 0.136 nan 4.420 nan 0.000 0.271 445 P C -0.733 176.673 177.300 0.176 0.000 1.218 445 P CA -0.421 62.751 63.100 0.119 0.000 0.780 445 P CB 0.645 32.412 31.700 0.111 0.000 0.901 446 A N 2.103 124.986 122.820 0.105 0.000 2.555 446 A HA 0.490 4.810 4.320 -0.000 0.000 0.233 446 A C 0.848 178.497 177.584 0.107 0.000 1.060 446 A CA 1.231 53.331 52.037 0.106 0.000 0.759 446 A CB -1.017 18.015 19.000 0.052 0.000 0.995 446 A HN 0.830 nan 8.150 nan 0.000 0.506 447 G N -0.469 108.402 108.800 0.119 0.000 2.369 447 G HA2 0.434 4.394 3.960 -0.000 0.000 0.293 447 G HA3 0.434 4.394 3.960 -0.000 0.000 0.293 447 G C -0.717 174.195 174.900 0.020 0.000 1.301 447 G CA -0.215 44.879 45.100 -0.009 0.000 0.913 447 G HN 1.049 nan 8.290 nan 0.000 0.540 448 T N 0.941 115.415 114.554 -0.133 0.000 2.767 448 T HA 0.653 5.003 4.350 -0.000 0.000 0.284 448 T C -1.159 173.371 174.700 -0.283 0.000 0.973 448 T CA 0.141 62.160 62.100 -0.134 0.000 0.996 448 T CB 0.735 69.553 68.868 -0.083 0.000 0.927 448 T HN 0.398 nan 8.240 nan 0.000 0.456 449 Y N 0.471 120.637 120.300 -0.224 0.000 2.446 449 Y HA 0.437 4.987 4.550 -0.000 0.000 0.345 449 Y C 0.349 176.126 175.900 -0.206 0.000 0.984 449 Y CA -1.206 56.785 58.100 -0.181 0.000 1.058 449 Y CB 1.082 39.460 38.460 -0.137 0.000 1.220 449 Y HN 0.577 nan 8.280 nan 0.000 0.455 450 c N 2.124 120.712 118.600 -0.020 0.000 2.435 450 c HA 0.185 4.755 4.570 -0.000 0.000 0.375 450 c C 0.314 174.371 174.090 -0.056 0.000 1.281 450 c CA -0.730 55.560 56.329 -0.066 0.000 1.963 450 c CB -0.435 42.031 42.510 -0.074 0.000 2.490 450 c HN 0.774 nan 8.230 nan 0.000 0.557 451 D N 1.683 122.045 120.400 -0.063 0.000 2.371 451 D HA 0.148 4.788 4.640 -0.000 0.000 0.256 451 D C 0.980 177.238 176.300 -0.070 0.000 1.193 451 D CA -0.263 53.700 54.000 -0.062 0.000 0.881 451 D CB 0.964 41.719 40.800 -0.074 0.000 1.143 451 D HN 0.437 nan 8.370 nan 0.000 0.473 452 V N 2.412 122.293 119.914 -0.054 0.000 3.623 452 V HA 0.030 4.150 4.120 -0.000 0.000 0.271 452 V C 1.492 177.553 176.094 -0.055 0.000 1.248 452 V CA 0.183 62.473 62.300 -0.016 0.000 1.156 452 V CB -0.635 31.242 31.823 0.090 0.000 0.870 452 V HN 0.505 nan 8.190 nan 0.000 0.453 453 I N 2.156 122.626 120.570 -0.166 0.000 2.429 453 I HA -0.013 4.157 4.170 -0.000 0.000 0.247 453 I C 2.700 178.701 176.117 -0.194 0.000 1.099 453 I CA 1.906 63.036 61.300 -0.283 0.000 1.422 453 I CB -1.092 36.499 38.000 -0.682 0.000 1.112 453 I HN 0.569 nan 8.210 nan 0.000 0.430 454 S N -0.240 115.359 115.700 -0.169 0.000 2.496 454 S HA 0.288 4.757 4.470 -0.000 0.000 0.224 454 S C 1.050 175.613 174.600 -0.063 0.000 0.996 454 S CA 0.425 58.561 58.200 -0.108 0.000 0.927 454 S CB 0.004 63.147 63.200 -0.096 0.000 0.774 454 S HN 0.445 nan 8.310 nan 0.000 0.524 455 G N -0.302 108.466 108.800 -0.054 0.000 2.677 455 G HA2 0.539 4.499 3.960 -0.000 0.000 0.283 455 G HA3 0.539 4.499 3.960 -0.000 0.000 0.283 455 G C -2.219 172.674 174.900 -0.012 0.000 1.221 455 G CA -0.570 44.514 45.100 -0.027 0.000 0.851 455 G HN 0.208 nan 8.290 nan 0.000 0.504 456 D N -0.575 119.821 120.400 -0.008 0.000 2.579 456 D HA 0.333 4.973 4.640 -0.000 0.000 0.257 456 D C -1.099 175.193 176.300 -0.012 0.000 1.176 456 D CA -0.566 53.435 54.000 0.002 0.000 0.914 456 D CB 2.861 43.673 40.800 0.021 0.000 1.431 456 D HN 0.380 nan 8.370 nan 0.000 0.454 457 K N 1.707 122.100 120.400 -0.012 0.000 2.268 457 K HA 0.499 4.819 4.320 -0.000 0.000 0.276 457 K C -1.175 175.419 176.600 -0.011 0.000 1.080 457 K CA -0.252 56.020 56.287 -0.024 0.000 0.910 457 K CB 0.126 32.603 32.500 -0.037 0.000 1.163 457 K HN 0.316 nan 8.250 nan 0.000 0.465 458 I N 3.979 124.542 120.570 -0.011 0.000 2.499 458 I HA 0.201 4.371 4.170 -0.000 0.000 0.288 458 I C -0.526 175.586 176.117 -0.009 0.000 1.048 458 I CA -0.902 60.395 61.300 -0.005 0.000 1.062 458 I CB 1.876 39.877 38.000 0.002 0.000 1.238 458 I HN 0.713 nan 8.210 nan 0.000 0.426 459 N N 4.662 123.357 118.700 -0.008 0.000 2.727 459 N HA -0.178 4.562 4.740 -0.000 0.000 0.251 459 N C 0.819 176.320 175.510 -0.015 0.000 1.040 459 N CA 1.209 54.253 53.050 -0.010 0.000 0.712 459 N CB -1.175 37.309 38.487 -0.006 0.000 0.912 459 N HN 1.216 nan 8.380 nan 0.000 0.545 460 G N -0.979 107.808 108.800 -0.022 0.000 2.225 460 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.267 460 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.267 460 G C -0.077 174.804 174.900 -0.031 0.000 1.024 460 G CA 0.666 45.748 45.100 -0.029 0.000 0.784 460 G HN 0.671 nan 8.290 nan 0.000 0.507 461 N N -1.671 117.012 118.700 -0.029 0.000 2.494 461 N HA 0.493 5.233 4.740 -0.000 0.000 0.270 461 N C -0.601 174.890 175.510 -0.032 0.000 1.285 461 N CA -0.054 52.979 53.050 -0.028 0.000 0.812 461 N CB 1.632 40.108 38.487 -0.017 0.000 1.557 461 N HN 0.138 nan 8.380 nan 0.000 0.487 462 c N 0.399 118.977 118.600 -0.036 0.000 2.341 462 c HA 0.441 5.011 4.570 -0.000 0.000 0.338 462 c C 1.970 176.043 174.090 -0.027 0.000 1.257 462 c CA -0.519 55.787 56.329 -0.040 0.000 1.883 462 c CB 0.521 42.996 42.510 -0.059 0.000 2.334 462 c HN 0.832 nan 8.230 nan 0.000 0.524 463 T N -0.814 113.726 114.554 -0.023 0.000 3.081 463 T HA 0.305 4.654 4.350 -0.000 0.000 0.250 463 T C 0.832 175.520 174.700 -0.020 0.000 1.100 463 T CA 0.639 62.730 62.100 -0.016 0.000 1.038 463 T CB 0.151 69.015 68.868 -0.008 0.000 0.962 463 T HN 0.863 nan 8.240 nan 0.000 0.516 464 G N 0.839 109.621 108.800 -0.030 0.000 3.264 464 G HA2 0.666 4.626 3.960 -0.000 0.000 0.168 464 G HA3 0.666 4.626 3.960 -0.000 0.000 0.168 464 G C -0.678 174.197 174.900 -0.042 0.000 1.145 464 G CA -1.264 43.815 45.100 -0.036 0.000 0.855 464 G HN 0.389 nan 8.290 nan 0.000 0.629 465 I N 0.690 121.230 120.570 -0.050 0.000 2.754 465 I HA 0.181 4.351 4.170 -0.000 0.000 0.285 465 I C 0.159 176.221 176.117 -0.091 0.000 1.166 465 I CA 0.524 61.792 61.300 -0.054 0.000 1.417 465 I CB 0.873 38.845 38.000 -0.046 0.000 1.382 465 I HN 0.151 nan 8.210 nan 0.000 0.588 466 K N 5.816 126.136 120.400 -0.134 0.000 2.292 466 K HA 0.582 4.902 4.320 -0.000 0.000 0.257 466 K C -1.148 175.190 176.600 -0.436 0.000 0.940 466 K CA -0.649 55.471 56.287 -0.279 0.000 0.811 466 K CB 1.799 34.102 32.500 -0.328 0.000 1.120 466 K HN 0.317 nan 8.250 nan 0.000 0.428 467 I N 3.304 123.604 120.570 -0.449 0.000 2.493 467 I HA 0.287 4.457 4.170 -0.000 0.000 0.298 467 I C -0.752 175.043 176.117 -0.537 0.000 0.998 467 I CA -0.817 60.215 61.300 -0.448 0.000 1.137 467 I CB 1.173 38.989 38.000 -0.307 0.000 1.310 467 I HN 0.549 nan 8.210 nan 0.000 0.445 468 Y N 4.265 124.506 120.300 -0.098 0.000 2.345 468 Y HA 0.442 4.992 4.550 -0.000 0.000 0.331 468 Y C 0.144 176.007 175.900 -0.062 0.000 0.959 468 Y CA -0.895 57.181 58.100 -0.040 0.000 1.204 468 Y CB 1.592 40.020 38.460 -0.053 0.000 1.135 468 Y HN 0.156 nan 8.280 nan 0.000 0.477 469 V N 3.980 123.971 119.914 0.130 0.000 2.407 469 V HA 0.349 4.469 4.120 -0.000 0.000 0.278 469 V C 0.255 176.393 176.094 0.073 0.000 1.037 469 V CA -0.748 61.587 62.300 0.058 0.000 0.900 469 V CB 1.096 32.968 31.823 0.082 0.000 0.983 469 V HN 0.908 nan 8.190 nan 0.000 0.459 470 S N 2.691 118.406 115.700 0.026 0.000 2.661 470 S HA 0.228 4.697 4.470 -0.000 0.000 0.265 470 S C 0.739 175.350 174.600 0.018 0.000 1.225 470 S CA -0.580 57.632 58.200 0.020 0.000 0.986 470 S CB 0.705 63.905 63.200 0.001 0.000 1.008 470 S HN 0.656 nan 8.310 nan 0.000 0.565 471 D N 1.245 121.652 120.400 0.012 0.000 2.218 471 D HA -0.077 4.563 4.640 -0.000 0.000 0.204 471 D C 1.026 177.331 176.300 0.008 0.000 0.976 471 D CA 1.390 55.397 54.000 0.012 0.000 0.853 471 D CB -0.427 40.377 40.800 0.006 0.000 0.939 471 D HN 0.800 nan 8.370 nan 0.000 0.481 472 D N -1.292 119.109 120.400 0.002 0.000 2.328 472 D HA 0.147 4.787 4.640 -0.000 0.000 0.221 472 D C 1.519 177.813 176.300 -0.010 0.000 1.072 472 D CA 0.565 54.565 54.000 -0.000 0.000 0.850 472 D CB -0.060 40.740 40.800 0.000 0.000 0.922 472 D HN 0.188 nan 8.370 nan 0.000 0.516 473 G N 0.229 109.020 108.800 -0.015 0.000 2.179 473 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.260 473 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.260 473 G C 0.283 175.132 174.900 -0.084 0.000 0.977 473 G CA 0.204 45.277 45.100 -0.044 0.000 0.641 473 G HN 0.459 nan 8.290 nan 0.000 0.533 474 K N 0.579 120.945 120.400 -0.057 0.000 2.202 474 K HA 0.669 4.989 4.320 -0.000 0.000 0.264 474 K C 0.233 176.788 176.600 -0.076 0.000 1.010 474 K CA 0.422 56.672 56.287 -0.062 0.000 0.940 474 K CB 1.294 33.778 32.500 -0.026 0.000 0.983 474 K HN 0.896 nan 8.250 nan 0.000 0.475 475 A N 1.627 124.393 122.820 -0.090 0.000 2.566 475 A HA 0.260 4.580 4.320 -0.000 0.000 0.297 475 A C -1.889 175.563 177.584 -0.219 0.000 1.059 475 A CA -0.721 51.199 52.037 -0.196 0.000 0.691 475 A CB 0.919 19.685 19.000 -0.389 0.000 1.282 475 A HN 0.837 nan 8.150 nan 0.000 0.401 476 H N 0.543 119.425 119.070 -0.314 0.000 2.527 476 H HA 0.686 5.242 4.556 -0.000 0.000 0.321 476 H C -1.469 173.635 175.328 -0.373 0.000 1.087 476 H CA 0.149 56.072 56.048 -0.208 0.000 1.337 476 H CB 0.387 30.082 29.762 -0.111 0.000 1.440 476 H HN 0.424 nan 8.280 nan 0.000 0.490 477 F N 2.456 122.178 119.950 -0.380 0.000 2.507 477 F HA 0.360 4.888 4.527 0.000 0.000 0.325 477 F C -0.028 175.673 175.800 -0.165 0.000 1.116 477 F CA -0.638 57.292 58.000 -0.116 0.000 0.930 477 F CB 2.087 41.155 39.000 0.113 0.000 1.146 477 F HN 0.399 nan 8.300 nan 0.000 0.447 478 S N 4.654 120.459 115.700 0.174 0.000 2.659 478 S HA 0.757 5.227 4.470 -0.000 0.000 0.312 478 S C -1.026 173.691 174.600 0.195 0.000 1.114 478 S CA -0.389 57.906 58.200 0.159 0.000 1.063 478 S CB 0.237 63.526 63.200 0.148 0.000 0.996 478 S HN 0.506 nan 8.310 nan 0.000 0.478 479 I N 3.574 124.290 120.570 0.244 0.000 2.468 479 I HA 0.319 4.489 4.170 -0.000 0.000 0.284 479 I C 0.124 176.327 176.117 0.144 0.000 1.038 479 I CA -0.578 60.821 61.300 0.165 0.000 1.083 479 I CB 2.019 40.093 38.000 0.124 0.000 1.223 479 I HN 0.544 nan 8.210 nan 0.000 0.443 480 S N 4.497 120.258 115.700 0.101 0.000 2.584 480 S HA 0.122 4.592 4.470 -0.000 0.000 0.273 480 S C 1.345 175.985 174.600 0.067 0.000 1.311 480 S CA -0.608 57.647 58.200 0.091 0.000 1.034 480 S CB 0.667 63.912 63.200 0.076 0.000 0.939 480 S HN 0.745 nan 8.310 nan 0.000 0.513 481 N N 3.003 121.741 118.700 0.062 0.000 2.573 481 N HA -0.062 4.678 4.740 -0.000 0.000 0.187 481 N C 0.619 176.153 175.510 0.041 0.000 1.107 481 N CA 0.553 53.623 53.050 0.033 0.000 0.918 481 N CB -0.328 38.176 38.487 0.029 0.000 0.966 481 N HN 0.416 nan 8.380 nan 0.000 0.448 482 S N -0.435 115.294 115.700 0.050 0.000 2.540 482 S HA 0.354 4.824 4.470 -0.000 0.000 0.218 482 S C 0.900 175.523 174.600 0.038 0.000 0.977 482 S CA -0.360 57.866 58.200 0.044 0.000 0.918 482 S CB 0.222 63.449 63.200 0.046 0.000 0.806 482 S HN 0.621 nan 8.310 nan 0.000 0.496 483 A N 1.651 124.494 122.820 0.038 0.000 2.466 483 A HA 0.262 4.582 4.320 -0.000 0.000 0.238 483 A C 1.332 178.934 177.584 0.030 0.000 1.074 483 A CA -0.129 51.925 52.037 0.029 0.000 0.774 483 A CB 0.149 19.165 19.000 0.026 0.000 1.015 483 A HN 0.208 nan 8.150 nan 0.000 0.498 484 E N 0.376 120.586 120.200 0.017 0.000 2.216 484 E HA -0.053 4.297 4.350 -0.000 0.000 0.192 484 E C -0.504 176.121 176.600 0.041 0.000 0.988 484 E CA 1.244 57.655 56.400 0.020 0.000 0.834 484 E CB 0.212 29.913 29.700 0.001 0.000 0.772 484 E HN 0.619 nan 8.360 nan 0.000 0.479 485 D N 0.630 121.048 120.400 0.029 0.000 2.421 485 D HA 0.130 4.770 4.640 -0.000 0.000 0.254 485 D C -2.309 174.036 176.300 0.074 0.000 1.238 485 D CA -1.481 52.564 54.000 0.074 0.000 0.919 485 D CB 1.726 42.482 40.800 -0.073 0.000 1.152 485 D HN 0.072 nan 8.370 nan 0.000 0.552 486 P HA 0.077 nan 4.420 nan 0.000 0.269 486 P C -0.727 176.698 177.300 0.209 0.000 1.601 486 P CA -0.084 63.102 63.100 0.143 0.000 0.831 486 P CB -0.877 30.882 31.700 0.098 0.000 1.688 487 F N -1.671 118.194 119.950 -0.141 0.000 2.641 487 F HA 0.637 5.164 4.527 0.000 0.000 0.308 487 F C -1.616 174.008 175.800 -0.294 0.000 1.105 487 F CA -2.143 55.663 58.000 -0.324 0.000 0.964 487 F CB 0.738 39.428 39.000 -0.516 0.000 1.294 487 F HN -0.323 nan 8.300 nan 0.000 0.442 488 I N 2.632 122.990 120.570 -0.353 0.000 2.509 488 I HA 0.811 4.981 4.170 -0.000 0.000 0.293 488 I C -0.694 175.250 176.117 -0.288 0.000 1.020 488 I CA -1.128 59.997 61.300 -0.292 0.000 1.088 488 I CB 2.053 40.030 38.000 -0.038 0.000 1.267 488 I HN 1.013 nan 8.210 nan 0.000 0.430 489 A N 7.525 130.219 122.820 -0.210 0.000 2.398 489 A HA 0.905 5.225 4.320 -0.000 0.000 0.301 489 A C -0.888 176.742 177.584 0.075 0.000 1.041 489 A CA -0.479 51.494 52.037 -0.107 0.000 0.711 489 A CB 1.278 20.148 19.000 -0.216 0.000 1.240 489 A HN 0.710 nan 8.150 nan 0.000 0.420 490 I N 0.019 120.700 120.570 0.184 0.000 2.730 490 I HA 0.921 5.091 4.170 -0.000 0.000 0.298 490 I C -0.640 175.569 176.117 0.154 0.000 1.089 490 I CA -0.936 60.418 61.300 0.090 0.000 1.041 490 I CB 2.357 40.345 38.000 -0.020 0.000 1.235 490 I HN 0.930 nan 8.210 nan 0.000 0.423 491 H N 2.765 121.902 119.070 0.111 0.000 2.966 491 H HA 0.761 5.317 4.556 -0.000 0.000 0.330 491 H C 0.496 175.905 175.328 0.136 0.000 1.292 491 H CA -0.433 55.606 56.048 -0.015 0.000 1.127 491 H CB 1.210 30.818 29.762 -0.257 0.000 1.863 491 H HN 0.647 nan 8.280 nan 0.000 0.543 492 A N 0.103 123.088 122.820 0.274 0.000 1.948 492 A HA -0.200 4.120 4.320 -0.000 0.000 0.220 492 A C 1.550 179.251 177.584 0.196 0.000 1.177 492 A CA 1.979 54.159 52.037 0.237 0.000 0.636 492 A CB -0.655 18.415 19.000 0.118 0.000 0.815 492 A HN 0.720 nan 8.150 nan 0.000 0.449 493 E N -0.244 120.158 120.200 0.337 0.000 2.489 493 E HA -0.004 4.346 4.350 -0.000 0.000 0.193 493 E C 1.681 178.320 176.600 0.065 0.000 1.057 493 E CA 0.848 57.374 56.400 0.210 0.000 0.866 493 E CB -0.007 29.836 29.700 0.238 0.000 0.916 493 E HN 0.727 nan 8.360 nan 0.000 0.500 494 S N -0.387 115.223 115.700 -0.151 0.000 2.540 494 S HA 0.110 4.580 4.470 -0.000 0.000 0.218 494 S C 0.869 175.401 174.600 -0.114 0.000 0.977 494 S CA -0.362 57.699 58.200 -0.232 0.000 0.918 494 S CB 0.292 63.183 63.200 -0.515 0.000 0.806 494 S HN -0.060 nan 8.310 nan 0.000 0.496 495 K N 1.159 121.475 120.400 -0.139 0.000 2.382 495 K HA 0.232 4.551 4.320 -0.000 0.000 0.275 495 K C -0.243 176.174 176.600 -0.305 0.000 1.009 495 K CA -0.416 55.579 56.287 -0.486 0.000 0.970 495 K CB 0.391 32.525 32.500 -0.611 0.000 0.934 495 K HN 0.286 nan 8.250 nan 0.000 0.479 496 L N 0.000 121.029 121.223 -0.324 0.000 2.949 496 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 496 L CA 0.000 54.728 54.840 -0.187 0.000 0.813 496 L CB 0.000 41.968 42.059 -0.152 0.000 0.961 496 L HN 0.000 nan 8.230 nan 0.000 0.502