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 1yxq_1_A DATA FIRST_RESID 5 DATA SEQUENCE TTALVCDNGS GLVKAGFAGD DAPRAVFPSI VGRPRXXXXX XXXXXXDSYV DATA SEQUENCE GDEAQSKRGI LTLKYPIEXG IITNWDDMEK IWHHTFYNEL RVAPEEHPTL DATA SEQUENCE LTEAPLNPKA NREKMTQIMF ETFNVPAMYV AIQAVLSLYA SGRTTGIVLD DATA SEQUENCE SGDGVTHNVP IYEGYALPHA IMRLDLAGRD LTDYLMKILT ERGYSFVTTA DATA SEQUENCE EREIVRDIKE KLCYVALDFE NEMATAASSS SLEKSYELPD GQVITIGNER DATA SEQUENCE FRCPETLFQP SFIGMESAGI HETTYNSIMK CDIDIRKDLY ANNVMSGGTT DATA SEQUENCE MYPGIADRMQ KEITALAPST MKIKIIAPPE RKYSVWIGGS ILASLSTFQQ DATA SEQUENCE MWITKQEYDE AGPSIVH 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 5 T HA 0.000 nan 4.350 nan 0.000 0.228 5 T C 0.000 174.696 174.700 -0.006 0.000 1.109 5 T CA 0.000 62.058 62.100 -0.070 0.000 1.349 5 T CB 0.000 68.795 68.868 -0.122 0.000 0.612 6 T N 3.735 118.317 114.554 0.046 0.000 2.795 6 T HA 0.728 5.079 4.350 0.001 0.000 0.282 6 T C 0.380 175.265 174.700 0.308 0.000 0.980 6 T CA -0.194 62.020 62.100 0.191 0.000 1.012 6 T CB 1.177 70.165 68.868 0.200 0.000 0.936 6 T HN 0.943 nan 8.240 nan 0.000 0.457 7 A N 3.807 126.776 122.820 0.247 0.000 2.302 7 A HA 0.740 5.060 4.320 0.001 0.000 0.285 7 A C -0.165 177.582 177.584 0.271 0.000 1.105 7 A CA -0.628 51.544 52.037 0.225 0.000 0.816 7 A CB 0.245 19.446 19.000 0.334 0.000 1.067 7 A HN 0.842 nan 8.150 nan 0.000 0.489 8 L N 1.389 122.727 121.223 0.192 0.000 2.344 8 L HA 0.619 4.959 4.340 0.001 0.000 0.272 8 L C -0.752 176.193 176.870 0.125 0.000 1.035 8 L CA -0.876 54.039 54.840 0.125 0.000 0.807 8 L CB 1.638 43.735 42.059 0.063 0.000 1.237 8 L HN 0.382 nan 8.230 nan 0.000 0.442 9 V N 1.244 121.205 119.914 0.079 0.000 2.483 9 V HA 0.313 4.433 4.120 0.001 0.000 0.297 9 V C -0.831 175.356 176.094 0.155 0.000 1.027 9 V CA -0.530 61.761 62.300 -0.016 0.000 0.855 9 V CB 1.902 33.441 31.823 -0.473 0.000 0.995 9 V HN 0.884 nan 8.190 nan 0.000 0.424 10 C N 4.323 123.689 119.300 0.110 0.000 2.383 10 C HA 0.608 5.068 4.460 0.001 0.000 0.330 10 C C -0.710 174.377 174.990 0.162 0.000 1.168 10 C CA -0.534 58.578 59.018 0.157 0.000 1.374 10 C CB 0.446 28.230 27.740 0.074 0.000 2.014 10 C HN 0.971 nan 8.230 nan 0.000 0.439 11 D N 4.323 124.850 120.400 0.212 0.000 2.412 11 D HA 0.231 4.872 4.640 0.001 0.000 0.224 11 D C -0.041 176.317 176.300 0.097 0.000 1.093 11 D CA 0.032 54.128 54.000 0.160 0.000 0.850 11 D CB 0.540 41.470 40.800 0.217 0.000 1.046 11 D HN 0.600 nan 8.370 nan 0.000 0.507 12 N N 3.441 122.201 118.700 0.100 0.000 2.819 12 N HA 0.199 4.940 4.740 0.001 0.000 0.284 12 N C 0.404 175.911 175.510 -0.005 0.000 1.196 12 N CA -0.128 52.951 53.050 0.050 0.000 1.114 12 N CB 0.908 39.471 38.487 0.126 0.000 1.437 12 N HN 0.424 nan 8.380 nan 0.000 0.518 13 G N 0.020 108.797 108.800 -0.038 0.000 2.503 13 G HA2 0.127 4.088 3.960 0.001 0.000 0.257 13 G HA3 0.127 4.088 3.960 0.001 0.000 0.257 13 G C 0.868 175.744 174.900 -0.040 0.000 1.214 13 G CA -0.491 44.591 45.100 -0.031 0.000 0.839 13 G HN 0.284 nan 8.290 nan 0.000 0.559 14 S N 1.278 116.968 115.700 -0.017 0.000 2.370 14 S HA -0.138 4.332 4.470 0.001 0.000 0.226 14 S C 2.392 177.032 174.600 0.066 0.000 1.033 14 S CA 1.598 59.801 58.200 0.005 0.000 1.011 14 S CB -0.257 62.933 63.200 -0.016 0.000 0.852 14 S HN 0.809 nan 8.310 nan 0.000 0.457 15 G N 0.367 109.189 108.800 0.036 0.000 2.486 15 G HA2 0.369 4.330 3.960 0.001 0.000 0.210 15 G HA3 0.369 4.330 3.960 0.001 0.000 0.210 15 G C 0.249 175.159 174.900 0.018 0.000 1.168 15 G CA -0.063 45.086 45.100 0.081 0.000 0.820 15 G HN 0.356 nan 8.290 nan 0.000 0.544 16 L N 1.163 122.355 121.223 -0.052 0.000 2.385 16 L HA 0.460 4.801 4.340 0.001 0.000 0.273 16 L C -0.747 175.988 176.870 -0.224 0.000 0.990 16 L CA -0.987 53.772 54.840 -0.136 0.000 0.821 16 L CB 2.939 44.957 42.059 -0.068 0.000 1.279 16 L HN -0.207 nan 8.230 nan 0.000 0.412 17 V N 2.784 122.406 119.914 -0.488 0.000 2.555 17 V HA 0.169 4.289 4.120 0.001 0.000 0.286 17 V C 0.006 175.863 176.094 -0.394 0.000 1.044 17 V CA -0.300 61.678 62.300 -0.535 0.000 1.026 17 V CB 1.098 32.296 31.823 -1.042 0.000 0.981 17 V HN 0.564 nan 8.190 nan 0.000 0.480 18 K N 4.068 124.381 120.400 -0.145 0.000 2.293 18 K HA 0.785 5.106 4.320 0.001 0.000 0.267 18 K C -0.329 176.261 176.600 -0.018 0.000 1.010 18 K CA 0.067 56.287 56.287 -0.112 0.000 0.875 18 K CB 1.790 34.306 32.500 0.027 0.000 1.106 18 K HN 0.861 nan 8.250 nan 0.000 0.450 19 A N 1.572 124.309 122.820 -0.138 0.000 2.498 19 A HA 0.952 5.273 4.320 0.001 0.000 0.298 19 A C -0.354 177.165 177.584 -0.109 0.000 1.075 19 A CA -0.170 51.889 52.037 0.036 0.000 0.714 19 A CB 1.772 20.787 19.000 0.026 0.000 1.299 19 A HN 0.700 nan 8.150 nan 0.000 0.407 20 G N -0.706 108.139 108.800 0.076 0.000 2.335 20 G HA2 0.510 4.471 3.960 0.001 0.000 0.291 20 G HA3 0.510 4.471 3.960 0.001 0.000 0.291 20 G C -1.706 173.144 174.900 -0.084 0.000 1.261 20 G CA -0.671 44.352 45.100 -0.128 0.000 0.871 20 G HN 0.692 nan 8.290 nan 0.000 0.491 21 F N 1.433 121.627 119.950 0.407 0.000 2.458 21 F HA 0.670 5.198 4.527 0.002 0.000 0.336 21 F C 0.950 176.898 175.800 0.247 0.000 1.114 21 F CA -0.340 57.807 58.000 0.245 0.000 0.987 21 F CB 2.166 41.256 39.000 0.150 0.000 1.130 21 F HN 0.667 nan 8.300 nan 0.000 0.458 22 A N 2.121 125.110 122.820 0.281 0.000 2.546 22 A HA 0.419 4.739 4.320 0.001 0.000 0.243 22 A C 1.246 178.924 177.584 0.157 0.000 1.063 22 A CA 0.879 52.983 52.037 0.111 0.000 0.757 22 A CB -0.681 18.389 19.000 0.117 0.000 0.991 22 A HN 1.537 nan 8.150 nan 0.000 0.503 23 G N 2.057 110.916 108.800 0.099 0.000 2.258 23 G HA2 -0.190 3.771 3.960 0.001 0.000 0.233 23 G HA3 -0.190 3.771 3.960 0.001 0.000 0.233 23 G C -0.003 174.993 174.900 0.160 0.000 1.006 23 G CA 0.277 45.441 45.100 0.107 0.000 0.620 23 G HN 0.812 nan 8.290 nan 0.000 0.511 24 D N 1.413 121.975 120.400 0.271 0.000 2.372 24 D HA 0.410 5.051 4.640 0.001 0.000 0.243 24 D C 1.235 177.745 176.300 0.350 0.000 1.121 24 D CA 0.336 54.516 54.000 0.300 0.000 0.898 24 D CB 0.980 42.002 40.800 0.370 0.000 1.202 24 D HN 0.386 nan 8.370 nan 0.000 0.428 25 D N -0.232 120.300 120.400 0.220 0.000 2.340 25 D HA 0.156 4.796 4.640 0.001 0.000 0.220 25 D C -0.186 176.231 176.300 0.194 0.000 1.039 25 D CA -0.260 53.867 54.000 0.211 0.000 0.866 25 D CB 0.151 41.021 40.800 0.118 0.000 0.913 25 D HN 0.275 nan 8.370 nan 0.000 0.523 26 A N 0.377 123.228 122.820 0.051 0.000 2.604 26 A HA 0.587 4.908 4.320 0.001 0.000 0.295 26 A C -2.973 174.011 177.584 -0.999 0.000 1.067 26 A CA -1.433 50.390 52.037 -0.357 0.000 0.683 26 A CB 1.398 20.225 19.000 -0.289 0.000 1.281 26 A HN -0.053 nan 8.150 nan 0.000 0.407 27 P HA 0.214 nan 4.420 nan 0.000 0.271 27 P C 0.237 177.078 177.300 -0.764 0.000 1.220 27 P CA -0.080 62.014 63.100 -1.677 0.000 0.768 27 P CB 1.136 31.852 31.700 -1.640 0.000 0.848 28 R N 3.236 123.446 120.500 -0.483 0.000 2.120 28 R HA 0.041 4.382 4.340 0.001 0.000 0.234 28 R C 0.598 176.785 176.300 -0.189 0.000 1.123 28 R CA 1.300 57.262 56.100 -0.230 0.000 0.975 28 R CB -0.645 29.593 30.300 -0.103 0.000 0.866 28 R HN 0.636 nan 8.270 nan 0.000 0.446 29 A N -0.475 122.223 122.820 -0.203 0.000 2.343 29 A HA 0.632 4.953 4.320 0.001 0.000 0.308 29 A C -1.421 176.145 177.584 -0.030 0.000 1.092 29 A CA -0.643 51.379 52.037 -0.026 0.000 0.751 29 A CB 1.879 20.938 19.000 0.098 0.000 1.203 29 A HN -0.031 nan 8.150 nan 0.000 0.452 30 V N 3.590 123.531 119.914 0.045 0.000 2.524 30 V HA 0.705 4.826 4.120 0.001 0.000 0.297 30 V C -0.985 175.191 176.094 0.136 0.000 1.035 30 V CA -0.329 61.963 62.300 -0.013 0.000 0.867 30 V CB 0.602 32.399 31.823 -0.043 0.000 1.004 30 V HN 0.988 nan 8.190 nan 0.000 0.426 31 F N 3.710 123.653 119.950 -0.010 0.000 2.668 31 F HA 0.870 5.397 4.527 0.001 0.000 0.309 31 F C -3.257 172.528 175.800 -0.025 0.000 1.117 31 F CA -3.054 54.940 58.000 -0.010 0.000 0.951 31 F CB 1.549 40.550 39.000 0.001 0.000 1.323 31 F HN 0.216 nan 8.300 nan 0.000 0.451 32 P HA 0.131 nan 4.420 nan 0.000 0.267 32 P C -0.604 176.683 177.300 -0.021 0.000 1.205 32 P CA -0.023 63.092 63.100 0.025 0.000 0.765 32 P CB 0.861 32.579 31.700 0.029 0.000 0.828 33 S N 3.823 119.447 115.700 -0.127 0.000 4.139 33 S HA 0.278 4.748 4.470 0.001 0.000 0.215 33 S C 0.386 174.816 174.600 -0.284 0.000 1.390 33 S CA -0.144 57.961 58.200 -0.159 0.000 0.885 33 S CB -1.059 62.057 63.200 -0.141 0.000 1.560 33 S HN 0.319 nan 8.310 nan 0.000 0.449 34 I N 1.184 121.578 120.570 -0.294 0.000 2.647 34 I HA 0.473 4.644 4.170 0.001 0.000 0.295 34 I C -0.746 175.230 176.117 -0.235 0.000 1.078 34 I CA -1.018 60.008 61.300 -0.456 0.000 1.048 34 I CB 2.275 39.968 38.000 -0.510 0.000 1.239 34 I HN 0.053 nan 8.210 nan 0.000 0.421 35 V N 3.669 123.463 119.914 -0.200 0.000 2.487 35 V HA 0.729 4.850 4.120 0.001 0.000 0.298 35 V C 0.194 176.247 176.094 -0.067 0.000 1.028 35 V CA -0.481 61.757 62.300 -0.104 0.000 0.860 35 V CB 1.772 33.547 31.823 -0.080 0.000 0.991 35 V HN 0.904 nan 8.190 nan 0.000 0.427 36 G N 4.159 112.956 108.800 -0.004 0.000 2.461 36 G HA2 0.774 4.735 3.960 0.001 0.000 0.323 36 G HA3 0.774 4.735 3.960 0.001 0.000 0.323 36 G C -0.854 174.102 174.900 0.094 0.000 1.229 36 G CA -0.741 44.380 45.100 0.035 0.000 0.941 36 G HN 0.614 nan 8.290 nan 0.000 0.477 37 R N 1.803 122.345 120.500 0.070 0.000 2.795 37 R HA 0.437 4.778 4.340 0.001 0.000 0.275 37 R C -2.819 173.527 176.300 0.077 0.000 0.981 37 R CA -1.881 54.265 56.100 0.078 0.000 0.917 37 R CB 2.401 32.722 30.300 0.035 0.000 1.202 37 R HN 0.295 nan 8.270 nan 0.000 0.469 38 P HA -0.006 nan 4.420 nan 0.000 0.265 38 P C -0.334 176.989 177.300 0.039 0.000 1.193 38 P CA 0.200 63.341 63.100 0.069 0.000 0.765 38 P CB 0.512 32.253 31.700 0.068 0.000 0.823 52 S N -1.209 114.356 115.700 -0.225 0.000 2.578 52 S HA 0.637 5.108 4.470 0.001 0.000 0.272 52 S C -1.992 172.355 174.600 -0.421 0.000 1.145 52 S CA -0.738 57.355 58.200 -0.179 0.000 0.835 52 S CB 1.350 64.499 63.200 -0.085 0.000 1.104 52 S HN 0.913 nan 8.310 nan 0.000 0.458 53 Y N -0.402 119.872 120.300 -0.043 0.000 2.536 53 Y HA 0.790 5.340 4.550 0.001 0.000 0.347 53 Y C -0.307 175.514 175.900 -0.130 0.000 1.000 53 Y CA -0.995 57.065 58.100 -0.067 0.000 1.051 53 Y CB 2.189 40.612 38.460 -0.062 0.000 1.259 53 Y HN 0.693 nan 8.280 nan 0.000 0.468 54 V N 1.380 121.236 119.914 -0.097 0.000 2.789 54 V HA 0.824 4.944 4.120 0.001 0.000 0.311 54 V C 0.385 176.256 176.094 -0.373 0.000 1.073 54 V CA -0.194 61.928 62.300 -0.296 0.000 0.921 54 V CB 1.178 32.686 31.823 -0.526 0.000 1.009 54 V HN 1.115 nan 8.190 nan 0.000 0.426 55 G N 3.550 112.239 108.800 -0.185 0.000 2.509 55 G HA2 -0.232 3.729 3.960 0.001 0.000 0.259 55 G HA3 -0.232 3.729 3.960 0.001 0.000 0.259 55 G C 0.437 175.313 174.900 -0.040 0.000 1.169 55 G CA 0.510 45.584 45.100 -0.044 0.000 0.953 55 G HN 0.626 nan 8.290 nan 0.000 0.563 56 D N 0.496 120.892 120.400 -0.008 0.000 2.144 56 D HA -0.060 4.581 4.640 0.001 0.000 0.199 56 D C 2.076 178.362 176.300 -0.024 0.000 0.984 56 D CA 1.569 55.570 54.000 0.001 0.000 0.834 56 D CB -0.209 40.605 40.800 0.023 0.000 0.955 56 D HN 0.644 nan 8.370 nan 0.000 0.465 57 E N 0.734 120.920 120.200 -0.024 0.000 2.110 57 E HA -0.143 4.208 4.350 0.001 0.000 0.193 57 E C 2.037 178.578 176.600 -0.098 0.000 0.988 57 E CA 0.951 57.334 56.400 -0.029 0.000 0.804 57 E CB 0.057 29.799 29.700 0.069 0.000 0.745 57 E HN 0.160 nan 8.360 nan 0.000 0.458 58 A N 0.744 123.531 122.820 -0.054 0.000 1.883 58 A HA -0.281 4.039 4.320 0.001 0.000 0.217 58 A C 2.154 179.678 177.584 -0.099 0.000 1.186 58 A CA 1.877 53.871 52.037 -0.072 0.000 0.624 58 A CB -0.748 18.227 19.000 -0.041 0.000 0.822 58 A HN 0.317 nan 8.150 nan 0.000 0.444 59 Q N 0.150 119.907 119.800 -0.073 0.000 2.084 59 Q HA -0.119 4.222 4.340 0.001 0.000 0.202 59 Q C 2.220 178.188 176.000 -0.055 0.000 0.978 59 Q CA 2.213 57.986 55.803 -0.051 0.000 0.844 59 Q CB -0.399 28.325 28.738 -0.023 0.000 0.898 59 Q HN 0.586 nan 8.270 nan 0.000 0.426 60 S N 0.111 115.771 115.700 -0.066 0.000 2.382 60 S HA -0.078 4.393 4.470 0.001 0.000 0.228 60 S C 1.059 175.598 174.600 -0.101 0.000 1.027 60 S CA 1.293 59.452 58.200 -0.068 0.000 0.991 60 S CB -0.076 63.086 63.200 -0.063 0.000 0.823 60 S HN 0.346 nan 8.310 nan 0.000 0.469 61 K N 1.286 121.587 120.400 -0.166 0.000 2.500 61 K HA 0.141 4.462 4.320 0.001 0.000 0.206 61 K C 1.694 178.203 176.600 -0.152 0.000 1.034 61 K CA -0.232 55.928 56.287 -0.212 0.000 1.179 61 K CB 0.211 32.452 32.500 -0.432 0.000 0.884 61 K HN 0.366 nan 8.250 nan 0.000 0.493 62 R N -0.092 120.351 120.500 -0.096 0.000 2.127 62 R HA -0.092 4.249 4.340 0.001 0.000 0.238 62 R C 1.792 178.067 176.300 -0.043 0.000 1.134 62 R CA 1.685 57.749 56.100 -0.059 0.000 0.975 62 R CB -0.704 29.578 30.300 -0.030 0.000 0.865 62 R HN 0.126 nan 8.270 nan 0.000 0.447 63 G N 2.152 110.925 108.800 -0.044 0.000 2.509 63 G HA2 -0.135 3.826 3.960 0.001 0.000 0.218 63 G HA3 -0.135 3.826 3.960 0.001 0.000 0.218 63 G C 1.425 176.306 174.900 -0.031 0.000 1.124 63 G CA 0.791 45.873 45.100 -0.030 0.000 0.776 63 G HN 0.600 nan 8.290 nan 0.000 0.547 64 I N -2.843 117.699 120.570 -0.048 0.000 4.009 64 I HA 0.535 4.706 4.170 0.001 0.000 0.331 64 I C -0.238 175.867 176.117 -0.021 0.000 1.462 64 I CA -0.379 60.901 61.300 -0.034 0.000 1.117 64 I CB 0.332 38.308 38.000 -0.040 0.000 1.091 64 I HN -0.176 nan 8.210 nan 0.000 0.410 65 L N 0.224 121.432 121.223 -0.026 0.000 2.333 65 L HA 0.592 4.933 4.340 0.001 0.000 0.263 65 L C -0.428 176.443 176.870 0.003 0.000 1.014 65 L CA -0.745 54.094 54.840 -0.003 0.000 0.820 65 L CB 2.366 44.416 42.059 -0.016 0.000 1.352 65 L HN -0.081 nan 8.230 nan 0.000 0.421 66 T N 2.833 117.396 114.554 0.014 0.000 2.749 66 T HA 0.523 4.874 4.350 0.001 0.000 0.287 66 T C -0.201 174.503 174.700 0.008 0.000 0.970 66 T CA -0.359 61.749 62.100 0.013 0.000 0.980 66 T CB 0.486 69.365 68.868 0.017 0.000 0.924 66 T HN 0.217 nan 8.240 nan 0.000 0.456 67 L N 4.212 125.437 121.223 0.005 0.000 2.307 67 L HA 0.571 4.911 4.340 0.001 0.000 0.282 67 L C 0.402 177.272 176.870 0.000 0.000 1.051 67 L CA -0.677 54.151 54.840 -0.020 0.000 0.804 67 L CB 0.964 43.009 42.059 -0.023 0.000 1.197 67 L HN 0.434 nan 8.230 nan 0.000 0.431 68 K N 2.609 122.980 120.400 -0.048 0.000 2.443 68 K HA 0.502 4.823 4.320 0.001 0.000 0.251 68 K C -1.674 174.868 176.600 -0.097 0.000 0.972 68 K CA -0.839 55.449 56.287 0.000 0.000 0.833 68 K CB 2.479 34.977 32.500 -0.003 0.000 1.317 68 K HN 0.251 nan 8.250 nan 0.000 0.441 69 Y N 1.528 121.792 120.300 -0.059 0.000 2.555 69 Y HA 0.195 4.746 4.550 0.001 0.000 0.326 69 Y C -1.666 174.169 175.900 -0.109 0.000 0.984 69 Y CA -1.837 56.216 58.100 -0.077 0.000 1.298 69 Y CB 1.287 39.708 38.460 -0.065 0.000 1.094 69 Y HN 0.474 nan 8.280 nan 0.000 0.500 70 P HA 0.001 nan 4.420 nan 0.000 0.233 70 P C -0.128 177.064 177.300 -0.180 0.000 1.167 70 P CA 1.170 64.183 63.100 -0.145 0.000 0.770 70 P CB 0.784 32.344 31.700 -0.233 0.000 0.837 71 I N -0.056 120.452 120.570 -0.103 0.000 2.389 71 I HA 0.291 4.461 4.170 0.001 0.000 0.288 71 I C 0.450 176.541 176.117 -0.044 0.000 0.999 71 I CA -0.610 60.625 61.300 -0.107 0.000 1.129 71 I CB 1.997 39.934 38.000 -0.105 0.000 1.288 71 I HN -0.204 nan 8.210 nan 0.000 0.444 75 I N 2.329 122.893 120.570 -0.010 0.000 2.359 75 I HA 0.467 4.637 4.170 0.001 0.000 0.294 75 I C 0.253 176.302 176.117 -0.114 0.000 0.987 75 I CA -1.442 59.844 61.300 -0.023 0.000 1.225 75 I CB 1.382 39.385 38.000 0.005 0.000 1.366 75 I HN -0.059 nan 8.210 nan 0.000 0.466 76 I N 5.628 126.074 120.570 -0.205 0.000 2.533 76 I HA 0.042 4.212 4.170 0.001 0.000 0.284 76 I C 1.305 177.109 176.117 -0.523 0.000 1.109 76 I CA 0.325 61.328 61.300 -0.495 0.000 1.412 76 I CB 0.755 38.199 38.000 -0.926 0.000 1.396 76 I HN 0.735 nan 8.210 nan 0.000 0.543 77 T N 0.353 114.648 114.554 -0.432 0.000 3.004 77 T HA 0.149 4.500 4.350 0.001 0.000 0.266 77 T C 0.382 174.921 174.700 -0.268 0.000 0.986 77 T CA -0.298 61.639 62.100 -0.271 0.000 0.902 77 T CB 0.024 68.819 68.868 -0.122 0.000 1.118 77 T HN 0.455 nan 8.240 nan 0.000 0.522 78 N N -0.161 118.313 118.700 -0.376 0.000 2.540 78 N HA 0.294 5.035 4.740 0.001 0.000 0.275 78 N C -0.627 174.719 175.510 -0.274 0.000 1.053 78 N CA -0.918 52.004 53.050 -0.214 0.000 0.876 78 N CB 0.890 39.306 38.487 -0.119 0.000 1.284 78 N HN 0.249 nan 8.380 nan 0.000 0.518 79 W N 1.642 122.948 121.300 0.011 0.000 2.476 79 W HA 0.067 4.728 4.660 0.001 0.000 0.281 79 W C 1.451 177.989 176.519 0.032 0.000 1.230 79 W CA 0.115 57.477 57.345 0.028 0.000 1.287 79 W CB 0.356 29.862 29.460 0.078 0.000 1.108 79 W HN 0.461 nan 8.180 nan 0.000 0.567 80 D N 0.376 120.903 120.400 0.212 0.000 2.117 80 D HA -0.179 4.462 4.640 0.001 0.000 0.197 80 D C 1.418 177.763 176.300 0.075 0.000 0.987 80 D CA 1.609 55.691 54.000 0.137 0.000 0.829 80 D CB -0.525 40.331 40.800 0.094 0.000 0.961 80 D HN 0.114 nan 8.370 nan 0.000 0.460 81 D N -0.274 120.131 120.400 0.007 0.000 2.149 81 D HA -0.082 4.559 4.640 0.001 0.000 0.201 81 D C 1.951 178.186 176.300 -0.107 0.000 0.972 81 D CA 0.366 54.339 54.000 -0.045 0.000 0.835 81 D CB -0.193 40.562 40.800 -0.075 0.000 0.966 81 D HN 0.076 nan 8.370 nan 0.000 0.476 82 M N 0.929 120.413 119.600 -0.193 0.000 2.117 82 M HA -0.111 4.369 4.480 0.001 0.000 0.262 82 M C 1.644 177.761 176.300 -0.304 0.000 1.065 82 M CA 1.473 56.504 55.300 -0.447 0.000 1.114 82 M CB -0.149 32.046 32.600 -0.674 0.000 1.361 82 M HN -0.074 nan 8.290 nan 0.000 0.408 83 E N -0.571 119.694 120.200 0.108 0.000 2.118 83 E HA -0.237 4.114 4.350 0.001 0.000 0.195 83 E C 1.987 178.851 176.600 0.440 0.000 0.992 83 E CA 1.262 57.943 56.400 0.469 0.000 0.804 83 E CB -0.109 29.833 29.700 0.403 0.000 0.741 83 E HN 0.548 nan 8.360 nan 0.000 0.458 84 K N 0.371 120.896 120.400 0.208 0.000 2.103 84 K HA -0.051 4.269 4.320 0.001 0.000 0.204 84 K C 2.137 178.858 176.600 0.202 0.000 1.052 84 K CA 0.656 57.059 56.287 0.194 0.000 0.945 84 K CB 0.009 32.551 32.500 0.069 0.000 0.722 84 K HN 0.099 nan 8.250 nan 0.000 0.443 85 I N -0.163 120.439 120.570 0.054 0.000 2.163 85 I HA -0.303 3.868 4.170 0.001 0.000 0.243 85 I C 2.028 178.225 176.117 0.135 0.000 1.085 85 I CA 1.208 62.534 61.300 0.043 0.000 1.347 85 I CB -0.253 37.649 38.000 -0.164 0.000 1.044 85 I HN 0.342 nan 8.210 nan 0.000 0.408 86 W N 0.519 121.847 121.300 0.046 0.000 2.381 86 W HA -0.174 4.487 4.660 0.001 0.000 0.301 86 W C 2.677 178.972 176.519 -0.374 0.000 1.205 86 W CA 1.502 58.655 57.345 -0.320 0.000 1.285 86 W CB -1.353 27.913 29.460 -0.322 0.000 1.133 86 W HN 0.330 nan 8.180 nan 0.000 0.521 87 H N -1.105 118.161 119.070 0.326 0.000 2.290 87 H HA -0.248 4.309 4.556 0.002 0.000 0.298 87 H C 2.541 178.069 175.328 0.333 0.000 1.087 87 H CA 2.676 59.029 56.048 0.508 0.000 1.291 87 H CB -0.770 29.355 29.762 0.604 0.000 1.369 87 H HN -0.002 nan 8.280 nan 0.000 0.492 88 H N -0.409 118.853 119.070 0.320 0.000 2.352 88 H HA -0.127 4.430 4.556 0.001 0.000 0.299 88 H C 1.723 177.015 175.328 -0.059 0.000 1.097 88 H CA 1.990 58.110 56.048 0.120 0.000 1.311 88 H CB -0.193 29.570 29.762 0.001 0.000 1.377 88 H HN 0.459 nan 8.280 nan 0.000 0.504 89 T N 0.905 115.457 114.554 -0.004 0.000 2.684 89 T HA -0.147 4.203 4.350 0.001 0.000 0.267 89 T C 1.843 176.390 174.700 -0.255 0.000 1.036 89 T CA 1.691 63.731 62.100 -0.100 0.000 1.148 89 T CB -0.449 68.373 68.868 -0.077 0.000 0.863 89 T HN 0.168 nan 8.240 nan 0.000 0.436 90 F N 0.048 119.841 119.950 -0.261 0.000 2.074 90 F HA 0.092 4.620 4.527 0.001 0.000 0.293 90 F C 2.159 177.675 175.800 -0.473 0.000 1.116 90 F CA 0.501 58.215 58.000 -0.478 0.000 1.212 90 F CB -1.074 37.448 39.000 -0.796 0.000 0.998 90 F HN 0.177 nan 8.300 nan 0.000 0.471 91 Y N -0.401 119.856 120.300 -0.072 0.000 2.314 91 Y HA -0.016 4.535 4.550 0.002 0.000 0.294 91 Y C 1.969 177.777 175.900 -0.154 0.000 1.119 91 Y CA 1.245 59.267 58.100 -0.130 0.000 1.179 91 Y CB -0.915 37.400 38.460 -0.242 0.000 1.025 91 Y HN 0.101 nan 8.280 nan 0.000 0.541 92 N N -1.124 117.482 118.700 -0.158 0.000 2.482 92 N HA -0.055 4.686 4.740 0.001 0.000 0.179 92 N C 1.461 176.779 175.510 -0.320 0.000 1.039 92 N CA 0.474 53.352 53.050 -0.287 0.000 0.884 92 N CB 0.254 38.423 38.487 -0.530 0.000 1.113 92 N HN 0.141 nan 8.380 nan 0.000 0.440 93 E N 0.998 120.965 120.200 -0.388 0.000 2.057 93 E HA 0.083 4.434 4.350 0.001 0.000 0.190 93 E C 1.833 178.362 176.600 -0.118 0.000 0.969 93 E CA 0.656 56.911 56.400 -0.242 0.000 0.812 93 E CB 0.122 29.694 29.700 -0.213 0.000 0.777 93 E HN 0.329 nan 8.360 nan 0.000 0.455 94 L N 0.344 121.496 121.223 -0.119 0.000 2.477 94 L HA 0.145 4.485 4.340 0.001 0.000 0.220 94 L C 0.107 177.012 176.870 0.059 0.000 1.106 94 L CA -0.059 54.740 54.840 -0.068 0.000 0.851 94 L CB 0.050 41.982 42.059 -0.211 0.000 0.994 94 L HN -0.040 nan 8.230 nan 0.000 0.462 95 R N 0.472 120.974 120.500 0.004 0.000 3.336 95 R HA -0.126 4.215 4.340 0.001 0.000 0.260 95 R C -0.486 175.848 176.300 0.056 0.000 1.032 95 R CA 0.752 56.878 56.100 0.043 0.000 0.693 95 R CB -2.716 27.617 30.300 0.056 0.000 1.134 95 R HN 0.360 nan 8.270 nan 0.000 0.433 96 V N -4.067 115.840 119.914 -0.013 0.000 3.046 96 V HA 0.967 5.088 4.120 0.001 0.000 0.316 96 V C 0.170 176.173 176.094 -0.151 0.000 1.104 96 V CA -0.769 61.507 62.300 -0.041 0.000 1.006 96 V CB 2.623 34.335 31.823 -0.185 0.000 1.058 96 V HN 0.296 nan 8.190 nan 0.000 0.440 97 A N 2.905 125.698 122.820 -0.045 0.000 2.252 97 A HA 0.765 5.086 4.320 0.001 0.000 0.309 97 A C -1.311 176.161 177.584 -0.188 0.000 1.285 97 A CA -1.616 50.365 52.037 -0.094 0.000 0.900 97 A CB 0.715 19.756 19.000 0.067 0.000 1.157 97 A HN 0.810 nan 8.150 nan 0.000 0.536 98 P HA -0.194 nan 4.420 nan 0.000 0.220 98 P C 0.963 178.069 177.300 -0.324 0.000 1.148 98 P CA 1.154 63.805 63.100 -0.748 0.000 0.803 98 P CB 0.188 30.940 31.700 -1.581 0.000 0.782 99 E N 1.046 121.147 120.200 -0.164 0.000 2.401 99 E HA -0.188 4.163 4.350 0.001 0.000 0.199 99 E C 1.021 177.566 176.600 -0.092 0.000 1.023 99 E CA 1.054 57.404 56.400 -0.083 0.000 0.859 99 E CB -0.665 29.024 29.700 -0.019 0.000 0.780 99 E HN 0.419 nan 8.360 nan 0.000 0.523 100 E N -0.106 120.038 120.200 -0.094 0.000 2.481 100 E HA 0.102 4.453 4.350 0.001 0.000 0.198 100 E C -0.145 176.199 176.600 -0.427 0.000 1.027 100 E CA 0.045 56.315 56.400 -0.216 0.000 0.900 100 E CB 0.327 29.903 29.700 -0.207 0.000 0.993 100 E HN 0.335 nan 8.360 nan 0.000 0.482 101 H N 0.282 119.242 119.070 -0.182 0.000 2.782 101 H HA 0.251 4.807 4.556 0.001 0.000 0.347 101 H C -2.642 172.521 175.328 -0.276 0.000 1.038 101 H CA -2.329 53.607 56.048 -0.186 0.000 1.255 101 H CB 1.791 31.485 29.762 -0.114 0.000 1.623 101 H HN -0.103 nan 8.280 nan 0.000 0.525 102 P HA 0.005 nan 4.420 nan 0.000 0.265 102 P C -0.403 176.667 177.300 -0.384 0.000 1.193 102 P CA 0.356 63.059 63.100 -0.661 0.000 0.765 102 P CB 0.585 31.455 31.700 -1.383 0.000 0.823 103 T N 4.135 118.570 114.554 -0.198 0.000 2.847 103 T HA 0.410 4.760 4.350 0.001 0.000 0.291 103 T C -0.448 174.448 174.700 0.325 0.000 0.998 103 T CA -0.476 61.665 62.100 0.069 0.000 0.967 103 T CB 0.388 69.244 68.868 -0.020 0.000 0.954 103 T HN 0.232 nan 8.240 nan 0.000 0.441 104 L N 5.390 126.863 121.223 0.416 0.000 2.275 104 L HA 0.654 4.994 4.340 0.001 0.000 0.288 104 L C -1.174 175.794 176.870 0.164 0.000 1.046 104 L CA -0.603 54.457 54.840 0.368 0.000 0.805 104 L CB 0.372 42.580 42.059 0.248 0.000 1.193 104 L HN 0.562 nan 8.230 nan 0.000 0.426 105 L N 3.694 125.000 121.223 0.138 0.000 2.322 105 L HA 0.633 4.973 4.340 0.001 0.000 0.269 105 L C 0.259 177.190 176.870 0.102 0.000 1.012 105 L CA -0.680 54.214 54.840 0.091 0.000 0.815 105 L CB 2.208 44.292 42.059 0.042 0.000 1.295 105 L HN 0.624 nan 8.230 nan 0.000 0.438 106 T N -1.609 113.008 114.554 0.105 0.000 2.952 106 T HA 0.682 5.032 4.350 0.001 0.000 0.286 106 T C -0.645 174.114 174.700 0.099 0.000 1.024 106 T CA -0.706 61.444 62.100 0.083 0.000 1.029 106 T CB 1.991 70.896 68.868 0.062 0.000 1.094 106 T HN 0.760 nan 8.240 nan 0.000 0.515 107 E N 0.431 120.670 120.200 0.065 0.000 2.429 107 E HA 0.661 5.012 4.350 0.001 0.000 0.276 107 E C -0.784 175.823 176.600 0.012 0.000 0.953 107 E CA -1.623 54.815 56.400 0.064 0.000 0.787 107 E CB 1.628 31.376 29.700 0.081 0.000 1.307 107 E HN 0.864 nan 8.360 nan 0.000 0.458 108 A N 1.810 124.631 122.820 0.001 0.000 2.366 108 A HA 0.448 4.769 4.320 0.001 0.000 0.249 108 A C -2.226 175.272 177.584 -0.142 0.000 1.084 108 A CA -1.122 50.875 52.037 -0.067 0.000 0.794 108 A CB -0.485 18.504 19.000 -0.017 0.000 1.034 108 A HN 0.503 nan 8.150 nan 0.000 0.491 109 P HA 0.227 nan 4.420 nan 0.000 0.268 109 P C 0.051 177.216 177.300 -0.224 0.000 1.208 109 P CA 0.230 63.127 63.100 -0.339 0.000 0.777 109 P CB 0.140 31.457 31.700 -0.638 0.000 0.875 110 L N -2.291 118.870 121.223 -0.104 0.000 4.001 110 L HA -0.278 4.063 4.340 0.001 0.000 0.413 110 L C 0.425 177.298 176.870 0.005 0.000 1.185 110 L CA 0.001 54.823 54.840 -0.030 0.000 0.963 110 L CB -2.131 39.927 42.059 -0.001 0.000 1.976 110 L HN 0.483 nan 8.230 nan 0.000 0.939 111 N N 1.773 120.479 118.700 0.010 0.000 2.475 111 N HA 0.296 5.036 4.740 0.001 0.000 0.267 111 N C -2.058 173.498 175.510 0.076 0.000 1.169 111 N CA -1.159 51.925 53.050 0.056 0.000 0.947 111 N CB 0.737 39.268 38.487 0.073 0.000 1.061 111 N HN -0.040 nan 8.380 nan 0.000 0.466 112 P HA -0.004 nan 4.420 nan 0.000 0.265 112 P C 0.426 177.795 177.300 0.116 0.000 1.187 112 P CA 0.051 63.205 63.100 0.090 0.000 0.766 112 P CB 0.569 32.333 31.700 0.106 0.000 0.820 113 K N 2.147 122.593 120.400 0.077 0.000 2.063 113 K HA -0.193 4.128 4.320 0.001 0.000 0.208 113 K C 1.875 178.590 176.600 0.191 0.000 1.048 113 K CA 1.898 58.249 56.287 0.107 0.000 0.928 113 K CB -0.493 31.950 32.500 -0.095 0.000 0.713 113 K HN 0.494 nan 8.250 nan 0.000 0.442 114 A N 1.594 124.492 122.820 0.129 0.000 1.972 114 A HA -0.181 4.140 4.320 0.001 0.000 0.219 114 A C 1.701 179.362 177.584 0.128 0.000 1.169 114 A CA 1.655 53.761 52.037 0.116 0.000 0.635 114 A CB -0.453 18.598 19.000 0.085 0.000 0.810 114 A HN 0.265 nan 8.150 nan 0.000 0.446 115 N N -0.457 118.368 118.700 0.208 0.000 2.106 115 N HA -0.123 4.618 4.740 0.001 0.000 0.188 115 N C 1.826 177.512 175.510 0.294 0.000 1.029 115 N CA 1.464 54.723 53.050 0.347 0.000 0.848 115 N CB -0.356 38.379 38.487 0.414 0.000 1.007 115 N HN 0.565 nan 8.380 nan 0.000 0.423 116 R N 1.168 121.810 120.500 0.237 0.000 2.096 116 R HA -0.071 4.270 4.340 0.001 0.000 0.235 116 R C 1.505 177.868 176.300 0.106 0.000 1.127 116 R CA 1.294 57.504 56.100 0.184 0.000 0.968 116 R CB 0.011 30.416 30.300 0.176 0.000 0.861 116 R HN 0.379 nan 8.270 nan 0.000 0.440 117 E N 0.061 120.322 120.200 0.102 0.000 2.072 117 E HA -0.225 4.126 4.350 0.001 0.000 0.191 117 E C 1.909 178.512 176.600 0.003 0.000 0.985 117 E CA 1.099 57.531 56.400 0.054 0.000 0.801 117 E CB -0.006 29.750 29.700 0.093 0.000 0.750 117 E HN 0.082 nan 8.360 nan 0.000 0.452 118 K N 1.512 121.846 120.400 -0.111 0.000 2.057 118 K HA -0.130 4.191 4.320 0.001 0.000 0.207 118 K C 2.074 178.521 176.600 -0.254 0.000 1.049 118 K CA 1.237 57.309 56.287 -0.357 0.000 0.931 118 K CB -0.300 31.651 32.500 -0.916 0.000 0.714 118 K HN 0.095 nan 8.250 nan 0.000 0.440 119 M N -0.151 119.427 119.600 -0.037 0.000 2.108 119 M HA -0.208 4.273 4.480 0.001 0.000 0.261 119 M C 1.385 177.696 176.300 0.018 0.000 1.066 119 M CA 2.136 57.568 55.300 0.219 0.000 1.107 119 M CB -0.355 32.466 32.600 0.368 0.000 1.356 119 M HN 0.138 nan 8.290 nan 0.000 0.406 120 T N 0.330 114.887 114.554 0.005 0.000 2.737 120 T HA -0.222 4.129 4.350 0.001 0.000 0.265 120 T C 1.679 176.358 174.700 -0.035 0.000 1.038 120 T CA 1.808 63.895 62.100 -0.021 0.000 1.144 120 T CB -0.340 68.596 68.868 0.112 0.000 0.866 120 T HN 0.589 nan 8.240 nan 0.000 0.434 121 Q N 0.431 120.265 119.800 0.057 0.000 2.061 121 Q HA -0.111 4.229 4.340 0.001 0.000 0.204 121 Q C 2.308 178.308 176.000 -0.000 0.000 0.984 121 Q CA 1.503 57.354 55.803 0.080 0.000 0.846 121 Q CB -0.341 28.467 28.738 0.116 0.000 0.902 121 Q HN 0.526 nan 8.270 nan 0.000 0.421 122 I N 0.267 120.846 120.570 0.015 0.000 2.179 122 I HA -0.310 3.861 4.170 0.001 0.000 0.242 122 I C 2.490 178.643 176.117 0.061 0.000 1.088 122 I CA 0.889 62.234 61.300 0.076 0.000 1.357 122 I CB -0.244 37.923 38.000 0.279 0.000 1.051 122 I HN 0.361 nan 8.210 nan 0.000 0.409 123 M N -0.345 119.222 119.600 -0.055 0.000 2.086 123 M HA -0.195 4.285 4.480 0.001 0.000 0.261 123 M C 2.358 178.524 176.300 -0.223 0.000 1.067 123 M CA 2.072 57.283 55.300 -0.149 0.000 1.116 123 M CB -1.027 31.293 32.600 -0.467 0.000 1.348 123 M HN 0.144 nan 8.290 nan 0.000 0.407 124 F N 0.326 120.133 119.950 -0.238 0.000 2.270 124 F HA -0.052 4.476 4.527 0.001 0.000 0.295 124 F C 2.348 178.022 175.800 -0.211 0.000 1.087 124 F CA 0.973 58.769 58.000 -0.341 0.000 1.365 124 F CB -0.447 38.031 39.000 -0.870 0.000 1.056 124 F HN 0.274 nan 8.300 nan 0.000 0.506 125 E N -1.327 118.883 120.200 0.016 0.000 2.251 125 E HA -0.012 4.338 4.350 0.001 0.000 0.194 125 E C 1.852 178.444 176.600 -0.013 0.000 0.964 125 E CA 1.134 57.557 56.400 0.038 0.000 0.868 125 E CB -0.050 29.695 29.700 0.076 0.000 0.828 125 E HN 0.224 nan 8.360 nan 0.000 0.481 126 T N 0.323 114.826 114.554 -0.085 0.000 2.901 126 T HA 0.029 4.379 4.350 0.001 0.000 0.252 126 T C 1.139 175.651 174.700 -0.313 0.000 1.035 126 T CA 0.643 62.593 62.100 -0.250 0.000 1.142 126 T CB -0.061 68.554 68.868 -0.422 0.000 0.869 126 T HN 0.022 nan 8.240 nan 0.000 0.442 127 F N 1.205 121.188 119.950 0.056 0.000 2.746 127 F HA 0.372 4.900 4.527 0.002 0.000 0.297 127 F C 1.176 176.932 175.800 -0.074 0.000 1.113 127 F CA -0.594 57.407 58.000 0.003 0.000 1.367 127 F CB -0.545 38.434 39.000 -0.035 0.000 1.111 127 F HN 0.034 nan 8.300 nan 0.000 0.590 128 N N 0.835 119.585 118.700 0.082 0.000 2.727 128 N HA -0.185 4.555 4.740 0.001 0.000 0.249 128 N C -0.277 175.250 175.510 0.027 0.000 1.048 128 N CA 0.660 53.751 53.050 0.067 0.000 0.714 128 N CB -1.357 37.163 38.487 0.056 0.000 0.959 128 N HN 0.144 nan 8.380 nan 0.000 0.544 129 V N -1.984 117.905 119.914 -0.041 0.000 2.843 129 V HA 0.316 4.437 4.120 0.001 0.000 0.305 129 V C -0.748 175.358 176.094 0.021 0.000 1.065 129 V CA -0.485 61.739 62.300 -0.127 0.000 1.116 129 V CB 0.910 32.558 31.823 -0.292 0.000 0.968 129 V HN 0.066 nan 8.190 nan 0.000 0.487 130 P HA 0.264 nan 4.420 nan 0.000 0.227 130 P C 0.263 177.620 177.300 0.094 0.000 1.161 130 P CA 1.449 64.560 63.100 0.019 0.000 0.788 130 P CB 0.354 32.002 31.700 -0.086 0.000 0.822 131 A N -0.749 122.079 122.820 0.013 0.000 2.608 131 A HA 0.788 5.108 4.320 0.001 0.000 0.292 131 A C -1.015 176.551 177.584 -0.029 0.000 1.066 131 A CA -0.618 51.470 52.037 0.086 0.000 0.676 131 A CB 1.013 19.925 19.000 -0.146 0.000 1.277 131 A HN 0.068 nan 8.150 nan 0.000 0.413 132 M N -0.487 119.254 119.600 0.236 0.000 2.880 132 M HA 0.889 5.370 4.480 0.001 0.000 0.269 132 M C -1.337 175.337 176.300 0.625 0.000 1.248 132 M CA -0.606 54.874 55.300 0.300 0.000 0.821 132 M CB 1.729 34.231 32.600 -0.163 0.000 1.650 132 M HN 1.080 nan 8.290 nan 0.000 0.479 133 Y N -0.323 120.204 120.300 0.379 0.000 2.558 133 Y HA 0.753 5.305 4.550 0.002 0.000 0.333 133 Y C -2.220 173.779 175.900 0.164 0.000 1.125 133 Y CA -0.820 57.436 58.100 0.260 0.000 1.039 133 Y CB 2.095 40.705 38.460 0.250 0.000 1.331 133 Y HN 0.712 nan 8.280 nan 0.000 0.456 134 V N 4.290 124.049 119.914 -0.257 0.000 2.487 134 V HA 0.931 5.051 4.120 0.001 0.000 0.298 134 V C -0.552 175.472 176.094 -0.116 0.000 1.028 134 V CA -0.342 61.908 62.300 -0.083 0.000 0.860 134 V CB 1.211 32.997 31.823 -0.062 0.000 0.991 134 V HN 0.905 nan 8.190 nan 0.000 0.427 135 A N 4.751 127.614 122.820 0.072 0.000 2.413 135 A HA 0.892 5.212 4.320 0.001 0.000 0.307 135 A C -0.676 176.928 177.584 0.032 0.000 1.087 135 A CA -0.769 51.328 52.037 0.100 0.000 0.750 135 A CB 1.093 20.203 19.000 0.183 0.000 1.296 135 A HN 0.769 nan 8.150 nan 0.000 0.423 136 I N 1.818 122.390 120.570 0.003 0.000 2.556 136 I HA -0.001 4.170 4.170 0.001 0.000 0.284 136 I C 1.464 177.538 176.117 -0.071 0.000 1.114 136 I CA 0.071 61.350 61.300 -0.036 0.000 1.418 136 I CB 1.053 39.025 38.000 -0.047 0.000 1.394 136 I HN 0.905 nan 8.210 nan 0.000 0.552 137 Q N 4.613 124.381 119.800 -0.055 0.000 2.045 137 Q HA -0.266 4.074 4.340 0.001 0.000 0.206 137 Q C 2.246 178.195 176.000 -0.084 0.000 0.991 137 Q CA 2.352 58.126 55.803 -0.049 0.000 0.851 137 Q CB -0.212 28.516 28.738 -0.016 0.000 0.911 137 Q HN 0.909 nan 8.270 nan 0.000 0.418 138 A N 0.090 122.856 122.820 -0.091 0.000 1.972 138 A HA -0.128 4.193 4.320 0.001 0.000 0.219 138 A C 2.325 179.811 177.584 -0.164 0.000 1.169 138 A CA 1.280 53.260 52.037 -0.095 0.000 0.635 138 A CB -0.600 18.356 19.000 -0.074 0.000 0.810 138 A HN 0.229 nan 8.150 nan 0.000 0.446 139 V N 0.239 120.017 119.914 -0.227 0.000 2.343 139 V HA -0.263 3.858 4.120 0.001 0.000 0.247 139 V C 2.538 178.186 176.094 -0.743 0.000 1.051 139 V CA 1.915 63.952 62.300 -0.438 0.000 1.036 139 V CB -0.782 30.806 31.823 -0.391 0.000 0.654 139 V HN 0.585 nan 8.190 nan 0.000 0.451 140 L N -0.321 120.609 121.223 -0.487 0.000 2.046 140 L HA -0.166 4.175 4.340 0.001 0.000 0.208 140 L C 2.645 179.399 176.870 -0.194 0.000 1.077 140 L CA 1.645 56.267 54.840 -0.363 0.000 0.747 140 L CB -0.719 41.238 42.059 -0.170 0.000 0.896 140 L HN 0.297 nan 8.230 nan 0.000 0.432 141 S N 0.125 115.743 115.700 -0.137 0.000 2.368 141 S HA -0.192 4.279 4.470 0.001 0.000 0.225 141 S C 1.879 176.452 174.600 -0.046 0.000 1.030 141 S CA 1.337 59.504 58.200 -0.056 0.000 0.999 141 S CB -0.332 62.845 63.200 -0.038 0.000 0.844 141 S HN 0.246 nan 8.310 nan 0.000 0.459 142 L N 0.826 121.988 121.223 -0.102 0.000 2.012 142 L HA -0.127 4.214 4.340 0.001 0.000 0.210 142 L C 2.019 178.936 176.870 0.079 0.000 1.073 142 L CA 1.813 56.633 54.840 -0.034 0.000 0.748 142 L CB -0.756 41.265 42.059 -0.062 0.000 0.891 142 L HN 0.256 nan 8.230 nan 0.000 0.431 143 Y N -0.073 120.190 120.300 -0.061 0.000 2.165 143 Y HA -0.162 4.389 4.550 0.002 0.000 0.286 143 Y C 2.628 178.488 175.900 -0.066 0.000 1.155 143 Y CA 0.666 58.717 58.100 -0.083 0.000 1.164 143 Y CB -1.636 36.751 38.460 -0.122 0.000 0.978 143 Y HN 0.324 nan 8.280 nan 0.000 0.513 144 A N -0.269 122.619 122.820 0.113 0.000 2.019 144 A HA -0.142 4.179 4.320 0.001 0.000 0.219 144 A C 2.311 179.927 177.584 0.053 0.000 1.164 144 A CA 1.703 53.778 52.037 0.063 0.000 0.644 144 A CB -0.903 18.130 19.000 0.055 0.000 0.805 144 A HN 0.439 nan 8.150 nan 0.000 0.449 145 S N -1.455 114.276 115.700 0.052 0.000 2.650 145 S HA 0.364 4.834 4.470 0.001 0.000 0.219 145 S C 1.264 175.885 174.600 0.036 0.000 0.960 145 S CA 0.963 59.188 58.200 0.042 0.000 0.925 145 S CB -0.606 62.616 63.200 0.037 0.000 0.775 145 S HN 1.933 nan 8.310 nan 0.000 0.525 146 G N 0.911 109.732 108.800 0.036 0.000 2.160 146 G HA2 -0.238 3.723 3.960 0.001 0.000 0.244 146 G HA3 -0.238 3.723 3.960 0.001 0.000 0.244 146 G C -0.078 174.828 174.900 0.010 0.000 1.022 146 G CA -0.044 45.063 45.100 0.012 0.000 0.741 146 G HN 0.647 nan 8.290 nan 0.000 0.508 147 R N -1.153 119.371 120.500 0.041 0.000 2.750 147 R HA 0.682 5.023 4.340 0.001 0.000 0.281 147 R C 1.146 177.495 176.300 0.082 0.000 0.972 147 R CA -0.163 55.960 56.100 0.039 0.000 0.912 147 R CB 1.381 31.706 30.300 0.043 0.000 1.187 147 R HN 0.266 nan 8.270 nan 0.000 0.464 148 T N -3.392 111.177 114.554 0.026 0.000 3.010 148 T HA 0.144 4.495 4.350 0.001 0.000 0.257 148 T C 0.472 175.176 174.700 0.007 0.000 1.020 148 T CA 0.046 62.169 62.100 0.038 0.000 0.938 148 T CB 0.550 69.365 68.868 -0.089 0.000 1.049 148 T HN 0.368 nan 8.240 nan 0.000 0.522 149 T N 1.293 115.848 114.554 0.002 0.000 2.824 149 T HA 0.733 5.084 4.350 0.001 0.000 0.282 149 T C -0.116 174.613 174.700 0.049 0.000 0.993 149 T CA -0.163 61.955 62.100 0.030 0.000 0.967 149 T CB 1.563 70.446 68.868 0.025 0.000 0.960 149 T HN 0.714 nan 8.240 nan 0.000 0.441 150 G N 1.548 110.381 108.800 0.055 0.000 2.320 150 G HA2 0.424 4.385 3.960 0.001 0.000 0.297 150 G HA3 0.424 4.385 3.960 0.001 0.000 0.297 150 G C -2.143 172.766 174.900 0.014 0.000 1.344 150 G CA -0.844 44.278 45.100 0.036 0.000 0.851 150 G HN 0.848 nan 8.290 nan 0.000 0.567 151 I N 0.604 121.174 120.570 0.001 0.000 2.436 151 I HA 0.671 4.842 4.170 0.001 0.000 0.289 151 I C -0.687 175.425 176.117 -0.008 0.000 1.010 151 I CA -1.048 60.242 61.300 -0.018 0.000 1.098 151 I CB 1.644 39.616 38.000 -0.045 0.000 1.266 151 I HN 0.362 nan 8.210 nan 0.000 0.434 152 V N 7.831 127.736 119.914 -0.016 0.000 2.472 152 V HA 0.324 4.444 4.120 0.001 0.000 0.290 152 V C -0.252 175.840 176.094 -0.004 0.000 1.037 152 V CA -0.653 61.641 62.300 -0.011 0.000 0.908 152 V CB 1.604 33.410 31.823 -0.027 0.000 0.985 152 V HN 0.561 nan 8.190 nan 0.000 0.454 153 L N 4.428 125.653 121.223 0.004 0.000 2.262 153 L HA 0.586 4.927 4.340 0.001 0.000 0.288 153 L C -0.586 176.286 176.870 0.004 0.000 1.035 153 L CA 0.184 55.026 54.840 0.003 0.000 0.820 153 L CB 1.073 43.131 42.059 -0.001 0.000 1.204 153 L HN 0.670 nan 8.230 nan 0.000 0.424 154 D N 2.871 123.281 120.400 0.016 0.000 2.414 154 D HA 0.349 4.990 4.640 0.001 0.000 0.232 154 D C -1.178 175.129 176.300 0.011 0.000 1.070 154 D CA 0.119 54.130 54.000 0.018 0.000 0.839 154 D CB 1.367 42.189 40.800 0.037 0.000 1.079 154 D HN 0.397 nan 8.370 nan 0.000 0.521 155 S N 2.466 118.158 115.700 -0.014 0.000 2.530 155 S HA 0.750 5.221 4.470 0.001 0.000 0.322 155 S C 0.287 174.869 174.600 -0.031 0.000 1.085 155 S CA -0.376 57.805 58.200 -0.032 0.000 1.096 155 S CB 0.885 64.063 63.200 -0.037 0.000 0.988 155 S HN 0.538 nan 8.310 nan 0.000 0.466 156 G N 2.563 111.343 108.800 -0.032 0.000 3.267 156 G HA2 0.230 4.191 3.960 0.001 0.000 0.200 156 G HA3 0.230 4.191 3.960 0.001 0.000 0.200 156 G C 0.391 175.267 174.900 -0.040 0.000 1.603 156 G CA 0.101 45.181 45.100 -0.034 0.000 0.753 156 G HN 0.612 nan 8.290 nan 0.000 0.755 157 D N -0.608 119.767 120.400 -0.041 0.000 2.320 157 D HA 0.070 4.711 4.640 0.001 0.000 0.228 157 D C 2.093 178.355 176.300 -0.064 0.000 0.978 157 D CA 1.092 55.062 54.000 -0.050 0.000 0.905 157 D CB 0.326 41.097 40.800 -0.048 0.000 1.051 157 D HN 0.372 nan 8.370 nan 0.000 0.471 158 G N 0.409 109.167 108.800 -0.070 0.000 3.079 158 G HA2 0.310 4.270 3.960 0.001 0.000 0.233 158 G HA3 0.310 4.270 3.960 0.001 0.000 0.233 158 G C -0.057 174.787 174.900 -0.092 0.000 1.062 158 G CA 0.058 45.108 45.100 -0.083 0.000 0.809 158 G HN 0.215 nan 8.290 nan 0.000 0.535 159 V N -0.068 119.786 119.914 -0.099 0.000 3.049 159 V HA 0.768 4.889 4.120 0.001 0.000 0.309 159 V C -1.305 174.673 176.094 -0.193 0.000 1.148 159 V CA -0.350 61.848 62.300 -0.169 0.000 0.990 159 V CB 2.525 34.240 31.823 -0.180 0.000 1.039 159 V HN 0.022 nan 8.190 nan 0.000 0.430 160 T N 4.255 118.633 114.554 -0.294 0.000 2.861 160 T HA 0.680 5.031 4.350 0.001 0.000 0.287 160 T C -1.306 173.160 174.700 -0.389 0.000 1.003 160 T CA -0.372 61.588 62.100 -0.233 0.000 0.977 160 T CB 0.831 69.598 68.868 -0.168 0.000 0.996 160 T HN 0.728 nan 8.240 nan 0.000 0.448 161 H N 1.953 120.992 119.070 -0.051 0.000 2.690 161 H HA 0.425 4.982 4.556 0.001 0.000 0.368 161 H C -0.617 174.679 175.328 -0.053 0.000 1.150 161 H CA -0.775 55.243 56.048 -0.050 0.000 1.174 161 H CB 1.828 31.564 29.762 -0.043 0.000 1.684 161 H HN 0.507 nan 8.280 nan 0.000 0.538 162 N N 0.637 119.380 118.700 0.072 0.000 2.419 162 N HA 0.350 5.090 4.740 0.001 0.000 0.277 162 N C -1.116 174.398 175.510 0.005 0.000 1.006 162 N CA -0.405 52.656 53.050 0.019 0.000 0.923 162 N CB 1.808 40.284 38.487 -0.018 0.000 1.140 162 N HN 0.149 nan 8.380 nan 0.000 0.488 163 V N 3.897 123.800 119.914 -0.019 0.000 2.398 163 V HA 0.417 4.538 4.120 0.001 0.000 0.282 163 V C -2.265 173.799 176.094 -0.051 0.000 1.014 163 V CA -1.549 60.724 62.300 -0.046 0.000 0.838 163 V CB 1.349 33.137 31.823 -0.058 0.000 1.018 163 V HN 0.612 nan 8.190 nan 0.000 0.432 164 P HA 0.565 nan 4.420 nan 0.000 0.284 164 P C -0.864 176.427 177.300 -0.015 0.000 1.253 164 P CA -0.247 62.821 63.100 -0.054 0.000 0.800 164 P CB 1.796 33.437 31.700 -0.097 0.000 0.961 165 I N 3.097 123.686 120.570 0.032 0.000 2.569 165 I HA 0.353 4.523 4.170 0.001 0.000 0.290 165 I C -1.094 175.118 176.117 0.158 0.000 1.088 165 I CA -0.867 60.479 61.300 0.076 0.000 1.047 165 I CB 2.247 40.261 38.000 0.023 0.000 1.237 165 I HN 0.292 nan 8.210 nan 0.000 0.421 166 Y N 5.089 125.418 120.300 0.047 0.000 2.373 166 Y HA 0.319 4.871 4.550 0.002 0.000 0.336 166 Y C 0.248 176.189 175.900 0.068 0.000 0.979 166 Y CA -0.821 57.310 58.100 0.052 0.000 1.080 166 Y CB 1.328 39.823 38.460 0.058 0.000 1.190 166 Y HN 0.718 nan 8.280 nan 0.000 0.446 167 E N 4.287 124.175 120.200 -0.520 0.000 2.328 167 E HA -0.297 4.054 4.350 0.001 0.000 0.233 167 E C 1.010 177.465 176.600 -0.242 0.000 1.219 167 E CA 1.107 57.255 56.400 -0.420 0.000 0.717 167 E CB -1.324 28.042 29.700 -0.556 0.000 1.210 167 E HN 1.252 nan 8.360 nan 0.000 0.381 168 G N -1.311 107.391 108.800 -0.163 0.000 2.213 168 G HA2 -0.308 3.653 3.960 0.001 0.000 0.226 168 G HA3 -0.308 3.653 3.960 0.001 0.000 0.226 168 G C -0.348 174.384 174.900 -0.280 0.000 0.992 168 G CA 0.129 45.109 45.100 -0.201 0.000 0.632 168 G HN 0.222 nan 8.290 nan 0.000 0.511 169 Y N 1.276 121.646 120.300 0.115 0.000 2.364 169 Y HA 0.746 5.297 4.550 0.002 0.000 0.340 169 Y C 0.726 176.670 175.900 0.072 0.000 0.975 169 Y CA -0.941 57.218 58.100 0.100 0.000 1.089 169 Y CB 1.690 40.213 38.460 0.105 0.000 1.192 169 Y HN 0.509 nan 8.280 nan 0.000 0.454 170 A N 3.811 126.753 122.820 0.203 0.000 2.520 170 A HA 0.310 4.631 4.320 0.001 0.000 0.235 170 A C -0.388 177.252 177.584 0.093 0.000 1.065 170 A CA -0.113 51.977 52.037 0.088 0.000 0.764 170 A CB -0.077 18.943 19.000 0.034 0.000 1.002 170 A HN 0.803 nan 8.150 nan 0.000 0.502 171 L N 3.805 125.040 121.223 0.019 0.000 2.314 171 L HA 0.240 4.581 4.340 0.001 0.000 0.275 171 L C -1.701 175.094 176.870 -0.124 0.000 1.068 171 L CA -1.540 53.282 54.840 -0.029 0.000 0.894 171 L CB 1.300 43.292 42.059 -0.112 0.000 1.275 171 L HN 0.539 nan 8.230 nan 0.000 0.432 172 P HA -0.212 nan 4.420 nan 0.000 0.216 172 P C 1.456 178.728 177.300 -0.046 0.000 1.150 172 P CA 1.294 64.374 63.100 -0.032 0.000 0.837 172 P CB -0.077 31.630 31.700 0.012 0.000 0.786 173 H N -0.856 118.206 119.070 -0.015 0.000 2.489 173 H HA 0.125 4.682 4.556 0.001 0.000 0.293 173 H C 1.153 176.465 175.328 -0.026 0.000 1.066 173 H CA 1.370 57.406 56.048 -0.021 0.000 1.305 173 H CB -0.407 29.340 29.762 -0.025 0.000 1.386 173 H HN 0.065 nan 8.280 nan 0.000 0.551 174 A N 1.234 123.676 122.820 -0.630 0.000 2.348 174 A HA 0.299 4.620 4.320 0.001 0.000 0.224 174 A C 0.957 178.420 177.584 -0.201 0.000 1.227 174 A CA -0.542 51.242 52.037 -0.422 0.000 0.885 174 A CB -0.091 18.556 19.000 -0.588 0.000 0.933 174 A HN 0.237 nan 8.150 nan 0.000 0.506 175 I N 1.732 122.217 120.570 -0.142 0.000 2.588 175 I HA 0.097 4.267 4.170 0.001 0.000 0.283 175 I C -0.033 176.071 176.117 -0.021 0.000 1.119 175 I CA 0.386 61.648 61.300 -0.064 0.000 1.419 175 I CB 0.776 38.749 38.000 -0.046 0.000 1.394 175 I HN 0.220 nan 8.210 nan 0.000 0.562 176 M N 6.643 126.246 119.600 0.006 0.000 2.456 176 M HA 0.471 4.952 4.480 0.001 0.000 0.324 176 M C -0.512 175.815 176.300 0.046 0.000 1.124 176 M CA -0.521 54.783 55.300 0.007 0.000 0.959 176 M CB 1.841 34.424 32.600 -0.029 0.000 1.692 176 M HN 0.508 nan 8.290 nan 0.000 0.444 177 R N 2.212 122.715 120.500 0.005 0.000 2.534 177 R HA 0.726 5.066 4.340 0.001 0.000 0.301 177 R C -1.982 174.232 176.300 -0.143 0.000 0.961 177 R CA -0.701 55.342 56.100 -0.095 0.000 0.871 177 R CB 1.672 31.962 30.300 -0.017 0.000 1.170 177 R HN 0.635 nan 8.270 nan 0.000 0.446 178 L N 3.957 125.049 121.223 -0.217 0.000 2.349 178 L HA 0.409 4.749 4.340 0.001 0.000 0.278 178 L C -1.081 175.678 176.870 -0.185 0.000 0.996 178 L CA -0.246 54.493 54.840 -0.168 0.000 0.825 178 L CB 1.900 43.865 42.059 -0.156 0.000 1.243 178 L HN 0.627 nan 8.230 nan 0.000 0.412 179 D N 6.731 127.047 120.400 -0.139 0.000 2.994 179 D HA 0.259 4.900 4.640 0.001 0.000 0.240 179 D C -0.703 175.530 176.300 -0.111 0.000 1.195 179 D CA 0.606 54.533 54.000 -0.122 0.000 0.957 179 D CB 0.089 40.835 40.800 -0.090 0.000 1.105 179 D HN 0.421 nan 8.370 nan 0.000 0.477 180 L N -0.014 121.134 121.223 -0.124 0.000 2.588 180 L HA 0.621 4.961 4.340 0.001 0.000 0.263 180 L C -1.563 175.240 176.870 -0.112 0.000 0.935 180 L CA -0.300 54.472 54.840 -0.113 0.000 0.891 180 L CB 1.496 43.480 42.059 -0.125 0.000 1.318 180 L HN 0.150 nan 8.230 nan 0.000 0.409 181 A N 2.886 125.655 122.820 -0.086 0.000 4.642 181 A HA 0.670 4.991 4.320 0.001 0.000 0.248 181 A C 0.808 178.374 177.584 -0.030 0.000 0.987 181 A CA 0.216 52.215 52.037 -0.064 0.000 0.622 181 A CB -0.096 18.862 19.000 -0.071 0.000 1.769 181 A HN 0.824 nan 8.150 nan 0.000 0.864 182 G N -0.372 108.420 108.800 -0.013 0.000 2.442 182 G HA2 -0.188 3.773 3.960 0.001 0.000 0.219 182 G HA3 -0.188 3.773 3.960 0.001 0.000 0.219 182 G C 1.447 176.349 174.900 0.002 0.000 1.141 182 G CA 1.423 46.532 45.100 0.015 0.000 0.763 182 G HN 0.686 nan 8.290 nan 0.000 0.554 183 R N 0.389 120.872 120.500 -0.029 0.000 2.081 183 R HA -0.082 4.259 4.340 0.001 0.000 0.235 183 R C 2.125 178.412 176.300 -0.022 0.000 1.131 183 R CA 1.645 57.722 56.100 -0.038 0.000 0.960 183 R CB -0.246 30.011 30.300 -0.073 0.000 0.856 183 R HN 0.344 nan 8.270 nan 0.000 0.436 184 D N 0.463 120.848 120.400 -0.025 0.000 2.144 184 D HA -0.186 4.454 4.640 0.001 0.000 0.199 184 D C 1.954 178.273 176.300 0.031 0.000 0.984 184 D CA 1.159 55.150 54.000 -0.015 0.000 0.834 184 D CB -0.025 40.746 40.800 -0.049 0.000 0.955 184 D HN 0.322 nan 8.370 nan 0.000 0.465 185 L N 0.799 122.045 121.223 0.038 0.000 2.109 185 L HA -0.108 4.233 4.340 0.001 0.000 0.207 185 L C 2.634 179.562 176.870 0.097 0.000 1.086 185 L CA 0.958 55.855 54.840 0.095 0.000 0.760 185 L CB -0.762 41.354 42.059 0.095 0.000 0.910 185 L HN -0.004 nan 8.230 nan 0.000 0.437 186 T N -0.643 113.938 114.554 0.045 0.000 2.708 186 T HA -0.176 4.174 4.350 0.001 0.000 0.266 186 T C 1.451 176.150 174.700 -0.002 0.000 1.037 186 T CA 1.565 63.665 62.100 -0.001 0.000 1.146 186 T CB -0.219 68.636 68.868 -0.021 0.000 0.865 186 T HN 0.298 nan 8.240 nan 0.000 0.435 187 D N -0.006 120.411 120.400 0.027 0.000 2.117 187 D HA -0.079 4.562 4.640 0.001 0.000 0.197 187 D C 1.718 178.070 176.300 0.086 0.000 0.987 187 D CA 0.890 54.914 54.000 0.039 0.000 0.829 187 D CB -0.433 40.390 40.800 0.038 0.000 0.961 187 D HN 0.369 nan 8.370 nan 0.000 0.460 188 Y N 1.193 121.474 120.300 -0.031 0.000 2.145 188 Y HA -0.162 4.389 4.550 0.001 0.000 0.286 188 Y C 2.153 178.028 175.900 -0.041 0.000 1.145 188 Y CA 0.908 58.992 58.100 -0.026 0.000 1.148 188 Y CB -0.682 37.770 38.460 -0.015 0.000 0.981 188 Y HN -0.063 nan 8.280 nan 0.000 0.507 189 L N -0.030 121.115 121.223 -0.130 0.000 2.083 189 L HA -0.233 4.107 4.340 0.001 0.000 0.209 189 L C 2.260 179.001 176.870 -0.215 0.000 1.083 189 L CA 1.843 56.535 54.840 -0.247 0.000 0.752 189 L CB -0.638 41.310 42.059 -0.184 0.000 0.899 189 L HN 0.304 nan 8.230 nan 0.000 0.433 190 M N -0.880 118.634 119.600 -0.143 0.000 2.117 190 M HA -0.258 4.223 4.480 0.001 0.000 0.262 190 M C 2.339 178.641 176.300 0.004 0.000 1.065 190 M CA 1.977 57.230 55.300 -0.079 0.000 1.114 190 M CB -0.507 32.083 32.600 -0.017 0.000 1.361 190 M HN 0.204 nan 8.290 nan 0.000 0.408 191 K N 1.429 121.815 120.400 -0.023 0.000 2.026 191 K HA -0.175 4.146 4.320 0.001 0.000 0.208 191 K C 1.851 178.420 176.600 -0.051 0.000 1.048 191 K CA 1.689 57.971 56.287 -0.009 0.000 0.929 191 K CB -0.293 32.214 32.500 0.012 0.000 0.713 191 K HN 0.522 nan 8.250 nan 0.000 0.439 192 I N -1.281 119.188 120.570 -0.168 0.000 2.439 192 I HA -0.176 3.994 4.170 0.001 0.000 0.251 192 I C 1.834 177.921 176.117 -0.050 0.000 1.139 192 I CA 1.079 62.277 61.300 -0.169 0.000 1.438 192 I CB -0.439 37.362 38.000 -0.331 0.000 1.085 192 I HN 0.078 nan 8.210 nan 0.000 0.427 193 L N 1.122 122.338 121.223 -0.011 0.000 2.156 193 L HA -0.090 4.251 4.340 0.001 0.000 0.208 193 L C 2.689 179.749 176.870 0.315 0.000 1.095 193 L CA 1.373 56.302 54.840 0.149 0.000 0.770 193 L CB -0.969 41.142 42.059 0.086 0.000 0.914 193 L HN 0.271 nan 8.230 nan 0.000 0.439 194 T N -0.394 114.305 114.554 0.243 0.000 2.708 194 T HA -0.191 4.159 4.350 0.001 0.000 0.266 194 T C 1.723 176.479 174.700 0.093 0.000 1.037 194 T CA 1.420 63.626 62.100 0.178 0.000 1.146 194 T CB -0.130 68.814 68.868 0.126 0.000 0.865 194 T HN 0.401 nan 8.240 nan 0.000 0.435 195 E N 0.466 120.702 120.200 0.060 0.000 2.204 195 E HA -0.019 4.332 4.350 0.001 0.000 0.194 195 E C 2.407 179.023 176.600 0.028 0.000 0.989 195 E CA 0.361 56.774 56.400 0.022 0.000 0.824 195 E CB -0.000 29.698 29.700 -0.002 0.000 0.756 195 E HN 0.158 nan 8.360 nan 0.000 0.477 196 R N -0.222 120.327 120.500 0.082 0.000 2.293 196 R HA -0.070 4.270 4.340 0.001 0.000 0.219 196 R C 1.055 177.364 176.300 0.016 0.000 1.091 196 R CA 0.994 57.163 56.100 0.114 0.000 1.004 196 R CB 0.128 30.578 30.300 0.249 0.000 0.865 196 R HN 0.358 nan 8.270 nan 0.000 0.469 197 G N -0.603 108.170 108.800 -0.045 0.000 2.141 197 G HA2 -0.225 3.736 3.960 0.001 0.000 0.164 197 G HA3 -0.225 3.736 3.960 0.001 0.000 0.164 197 G C -0.475 174.148 174.900 -0.460 0.000 1.009 197 G CA -0.477 44.471 45.100 -0.254 0.000 0.677 197 G HN 0.256 nan 8.290 nan 0.000 0.508 198 Y N 0.255 120.513 120.300 -0.069 0.000 2.487 198 Y HA 0.756 5.307 4.550 0.001 0.000 0.337 198 Y C 0.614 176.316 175.900 -0.329 0.000 1.076 198 Y CA -0.858 57.108 58.100 -0.224 0.000 1.115 198 Y CB 2.276 40.611 38.460 -0.208 0.000 1.235 198 Y HN 0.069 nan 8.280 nan 0.000 0.468 199 S N 2.390 117.888 115.700 -0.337 0.000 2.474 199 S HA 0.596 5.067 4.470 0.001 0.000 0.321 199 S C -1.450 172.868 174.600 -0.469 0.000 1.080 199 S CA -0.573 57.458 58.200 -0.281 0.000 1.106 199 S CB -0.282 62.837 63.200 -0.135 0.000 0.984 199 S HN 0.475 nan 8.310 nan 0.000 0.464 200 F N 4.294 124.271 119.950 0.045 0.000 2.532 200 F HA 0.351 4.878 4.527 0.001 0.000 0.365 200 F C 0.858 176.666 175.800 0.013 0.000 1.112 200 F CA -0.691 57.323 58.000 0.023 0.000 1.082 200 F CB 1.217 40.221 39.000 0.006 0.000 1.319 200 F HN 0.439 nan 8.300 nan 0.000 0.457 201 V N -2.079 117.929 119.914 0.157 0.000 3.261 201 V HA 0.138 4.259 4.120 0.001 0.000 0.212 201 V C 0.986 177.124 176.094 0.074 0.000 1.381 201 V CA 0.458 62.813 62.300 0.093 0.000 1.322 201 V CB 0.021 31.875 31.823 0.052 0.000 1.188 201 V HN 0.525 nan 8.190 nan 0.000 0.520 202 T N -0.754 113.840 114.554 0.067 0.000 2.616 202 T HA 0.086 4.437 4.350 0.001 0.000 0.327 202 T C 1.159 175.897 174.700 0.064 0.000 1.049 202 T CA 1.219 63.353 62.100 0.055 0.000 1.022 202 T CB 0.496 69.393 68.868 0.048 0.000 1.009 202 T HN 0.339 nan 8.240 nan 0.000 0.535 203 T N 0.800 115.385 114.554 0.052 0.000 2.770 203 T HA 0.081 4.432 4.350 0.001 0.000 0.263 203 T C 2.400 177.136 174.700 0.059 0.000 1.039 203 T CA 1.204 63.335 62.100 0.053 0.000 1.142 203 T CB -0.929 67.968 68.868 0.048 0.000 0.868 203 T HN 0.771 nan 8.240 nan 0.000 0.435 204 A N 1.272 124.128 122.820 0.059 0.000 1.933 204 A HA -0.117 4.203 4.320 0.001 0.000 0.218 204 A C 2.110 179.752 177.584 0.097 0.000 1.175 204 A CA 1.646 53.722 52.037 0.066 0.000 0.628 204 A CB -0.432 18.603 19.000 0.058 0.000 0.814 204 A HN 0.557 nan 8.150 nan 0.000 0.444 205 E N -1.175 119.101 120.200 0.127 0.000 2.230 205 E HA -0.058 4.292 4.350 0.001 0.000 0.192 205 E C 2.202 178.913 176.600 0.185 0.000 0.987 205 E CA 0.418 56.956 56.400 0.230 0.000 0.841 205 E CB -0.061 29.803 29.700 0.273 0.000 0.783 205 E HN 0.578 nan 8.360 nan 0.000 0.481 206 R N 1.113 121.675 120.500 0.103 0.000 2.105 206 R HA -0.168 4.172 4.340 0.001 0.000 0.239 206 R C 1.831 178.126 176.300 -0.008 0.000 1.135 206 R CA 1.306 57.425 56.100 0.031 0.000 0.967 206 R CB 0.124 30.443 30.300 0.031 0.000 0.861 206 R HN 0.076 nan 8.270 nan 0.000 0.442 207 E N 0.386 120.600 120.200 0.023 0.000 2.110 207 E HA -0.191 4.160 4.350 0.001 0.000 0.193 207 E C 2.047 178.645 176.600 -0.003 0.000 0.988 207 E CA 1.139 57.549 56.400 0.016 0.000 0.804 207 E CB -0.140 29.583 29.700 0.039 0.000 0.745 207 E HN 0.474 nan 8.360 nan 0.000 0.458 208 I N 0.638 121.216 120.570 0.013 0.000 2.179 208 I HA -0.240 3.930 4.170 0.001 0.000 0.242 208 I C 2.450 178.430 176.117 -0.229 0.000 1.088 208 I CA 0.786 62.080 61.300 -0.009 0.000 1.357 208 I CB -0.303 37.767 38.000 0.117 0.000 1.051 208 I HN -0.083 nan 8.210 nan 0.000 0.409 209 V N 0.784 120.494 119.914 -0.341 0.000 2.343 209 V HA -0.284 3.837 4.120 0.001 0.000 0.247 209 V C 2.619 178.542 176.094 -0.285 0.000 1.051 209 V CA 1.975 63.986 62.300 -0.481 0.000 1.036 209 V CB -0.832 30.671 31.823 -0.533 0.000 0.654 209 V HN 0.416 nan 8.190 nan 0.000 0.451 210 R N 0.267 120.667 120.500 -0.166 0.000 2.091 210 R HA -0.251 4.089 4.340 0.001 0.000 0.238 210 R C 2.095 178.336 176.300 -0.100 0.000 1.136 210 R CA 2.373 58.413 56.100 -0.100 0.000 0.959 210 R CB -0.435 29.834 30.300 -0.052 0.000 0.856 210 R HN 0.601 nan 8.270 nan 0.000 0.437 211 D N -0.098 120.241 120.400 -0.102 0.000 2.117 211 D HA -0.118 4.523 4.640 0.001 0.000 0.198 211 D C 1.884 178.094 176.300 -0.149 0.000 0.982 211 D CA 1.392 55.357 54.000 -0.058 0.000 0.828 211 D CB 0.018 40.846 40.800 0.047 0.000 0.967 211 D HN 0.315 nan 8.370 nan 0.000 0.464 212 I N 0.389 120.711 120.570 -0.414 0.000 2.163 212 I HA -0.276 3.895 4.170 0.001 0.000 0.243 212 I C 2.511 178.497 176.117 -0.218 0.000 1.085 212 I CA 1.180 62.157 61.300 -0.538 0.000 1.347 212 I CB -0.399 37.162 38.000 -0.732 0.000 1.044 212 I HN 0.081 nan 8.210 nan 0.000 0.408 213 K N 1.426 121.732 120.400 -0.157 0.000 2.032 213 K HA -0.234 4.087 4.320 0.001 0.000 0.209 213 K C 1.928 178.561 176.600 0.055 0.000 1.048 213 K CA 1.889 58.166 56.287 -0.016 0.000 0.927 213 K CB -0.107 32.400 32.500 0.011 0.000 0.712 213 K HN 0.357 nan 8.250 nan 0.000 0.441 214 E N 0.125 120.319 120.200 -0.011 0.000 2.150 214 E HA -0.143 4.208 4.350 0.001 0.000 0.193 214 E C 1.939 178.541 176.600 0.002 0.000 0.985 214 E CA 1.101 57.477 56.400 -0.039 0.000 0.814 214 E CB 0.160 29.826 29.700 -0.056 0.000 0.752 214 E HN 0.331 nan 8.360 nan 0.000 0.466 215 K N -0.105 120.315 120.400 0.032 0.000 2.242 215 K HA 0.107 4.428 4.320 0.001 0.000 0.200 215 K C 1.786 178.446 176.600 0.100 0.000 1.050 215 K CA 0.478 56.809 56.287 0.074 0.000 0.981 215 K CB 0.469 33.046 32.500 0.128 0.000 0.795 215 K HN 0.089 nan 8.250 nan 0.000 0.477 216 L N -0.062 121.221 121.223 0.101 0.000 2.749 216 L HA 0.175 4.515 4.340 0.001 0.000 0.242 216 L C 0.535 177.540 176.870 0.225 0.000 1.103 216 L CA -0.350 54.574 54.840 0.139 0.000 0.906 216 L CB 0.785 42.898 42.059 0.090 0.000 1.228 216 L HN 0.058 nan 8.230 nan 0.000 0.517 217 C N 0.700 120.144 119.300 0.240 0.000 2.604 217 C HA 0.399 4.860 4.460 0.001 0.000 0.396 217 C C 0.000 175.279 174.990 0.482 0.000 1.282 217 C CA -0.367 58.830 59.018 0.299 0.000 2.292 217 C CB -0.209 27.703 27.740 0.286 0.000 2.633 217 C HN 0.389 nan 8.230 nan 0.000 0.620 218 Y N -1.144 119.299 120.300 0.239 0.000 2.638 218 Y HA 0.690 5.241 4.550 0.001 0.000 0.335 218 Y C -1.198 174.800 175.900 0.165 0.000 1.155 218 Y CA -1.334 56.907 58.100 0.235 0.000 1.046 218 Y CB 0.432 38.999 38.460 0.179 0.000 1.303 218 Y HN 0.266 nan 8.280 nan 0.000 0.460 219 V N 2.878 122.953 119.914 0.268 0.000 2.383 219 V HA 0.687 4.808 4.120 0.001 0.000 0.275 219 V C 0.460 176.652 176.094 0.163 0.000 1.036 219 V CA -0.289 62.082 62.300 0.119 0.000 0.889 219 V CB 0.618 32.533 31.823 0.154 0.000 0.985 219 V HN 1.005 nan 8.190 nan 0.000 0.459 220 A N 4.277 127.105 122.820 0.014 0.000 2.425 220 A HA 0.422 4.742 4.320 0.001 0.000 0.249 220 A C 0.894 178.429 177.584 -0.081 0.000 1.084 220 A CA -0.273 51.742 52.037 -0.037 0.000 0.781 220 A CB 0.363 19.203 19.000 -0.267 0.000 1.019 220 A HN 0.882 nan 8.150 nan 0.000 0.490 221 L N 0.973 122.154 121.223 -0.069 0.000 2.109 221 L HA 0.068 4.409 4.340 0.001 0.000 0.207 221 L C 0.446 177.243 176.870 -0.122 0.000 1.086 221 L CA 1.930 56.712 54.840 -0.097 0.000 0.760 221 L CB -0.004 42.016 42.059 -0.064 0.000 0.910 221 L HN 0.756 nan 8.230 nan 0.000 0.437 222 D N -1.610 118.726 120.400 -0.106 0.000 2.476 222 D HA 0.010 4.651 4.640 0.001 0.000 0.251 222 D C 0.442 176.702 176.300 -0.066 0.000 1.291 222 D CA -0.407 53.546 54.000 -0.079 0.000 0.939 222 D CB 0.968 41.723 40.800 -0.075 0.000 1.221 222 D HN 0.065 nan 8.370 nan 0.000 0.567 223 F N 4.050 123.915 119.950 -0.142 0.000 2.102 223 F HA -0.087 4.440 4.527 0.001 0.000 0.298 223 F C 1.910 177.707 175.800 -0.006 0.000 1.105 223 F CA 1.568 59.524 58.000 -0.073 0.000 1.239 223 F CB 0.246 39.242 39.000 -0.007 0.000 0.991 223 F HN 0.431 nan 8.300 nan 0.000 0.474 224 E N 0.250 120.424 120.200 -0.044 0.000 2.038 224 E HA -0.284 4.067 4.350 0.001 0.000 0.195 224 E C 2.024 178.529 176.600 -0.159 0.000 1.000 224 E CA 1.791 58.125 56.400 -0.110 0.000 0.803 224 E CB -0.526 29.174 29.700 0.000 0.000 0.750 224 E HN 0.615 nan 8.360 nan 0.000 0.448 225 N N 0.257 118.881 118.700 -0.127 0.000 2.104 225 N HA -0.204 4.536 4.740 0.001 0.000 0.190 225 N C 1.906 177.311 175.510 -0.175 0.000 1.024 225 N CA 0.837 53.813 53.050 -0.122 0.000 0.853 225 N CB -0.052 38.373 38.487 -0.102 0.000 1.008 225 N HN 0.058 nan 8.380 nan 0.000 0.424 226 E N 0.697 120.720 120.200 -0.295 0.000 2.106 226 E HA -0.063 4.288 4.350 0.001 0.000 0.192 226 E C 1.922 178.371 176.600 -0.251 0.000 0.984 226 E CA 0.928 57.054 56.400 -0.456 0.000 0.806 226 E CB 0.095 29.185 29.700 -1.017 0.000 0.750 226 E HN 0.208 nan 8.360 nan 0.000 0.458 227 M N -0.109 119.362 119.600 -0.215 0.000 2.117 227 M HA -0.099 4.381 4.480 0.001 0.000 0.262 227 M C 2.311 178.593 176.300 -0.030 0.000 1.065 227 M CA 1.593 56.865 55.300 -0.047 0.000 1.114 227 M CB -1.139 31.304 32.600 -0.262 0.000 1.361 227 M HN 0.243 nan 8.290 nan 0.000 0.408 228 A N -0.067 122.711 122.820 -0.071 0.000 1.902 228 A HA -0.143 4.178 4.320 0.001 0.000 0.217 228 A C 2.310 179.882 177.584 -0.020 0.000 1.181 228 A CA 2.294 54.307 52.037 -0.041 0.000 0.623 228 A CB -1.145 17.826 19.000 -0.048 0.000 0.818 228 A HN 0.486 nan 8.150 nan 0.000 0.443 229 T N 0.390 114.927 114.554 -0.029 0.000 2.720 229 T HA -0.053 4.298 4.350 0.001 0.000 0.268 229 T C 2.181 176.902 174.700 0.035 0.000 1.037 229 T CA 1.651 63.747 62.100 -0.007 0.000 1.144 229 T CB -0.454 68.395 68.868 -0.030 0.000 0.864 229 T HN 0.603 nan 8.240 nan 0.000 0.444 230 A N 1.190 124.060 122.820 0.083 0.000 1.969 230 A HA 0.237 4.557 4.320 0.001 0.000 0.218 230 A C 2.536 180.155 177.584 0.059 0.000 1.169 230 A CA 1.603 53.712 52.037 0.120 0.000 0.635 230 A CB -0.821 18.316 19.000 0.227 0.000 0.810 230 A HN 0.508 nan 8.150 nan 0.000 0.445 231 A N -0.135 122.705 122.820 0.034 0.000 2.067 231 A HA 0.084 4.405 4.320 0.001 0.000 0.217 231 A C 2.114 179.705 177.584 0.012 0.000 1.156 231 A CA 1.757 53.803 52.037 0.014 0.000 0.683 231 A CB -0.402 18.599 19.000 0.002 0.000 0.808 231 A HN 0.922 nan 8.150 nan 0.000 0.455 232 S N -1.527 114.180 115.700 0.013 0.000 2.559 232 S HA 0.395 4.866 4.470 0.001 0.000 0.226 232 S C 0.386 174.993 174.600 0.012 0.000 1.000 232 S CA 0.469 58.674 58.200 0.008 0.000 0.948 232 S CB -0.331 62.870 63.200 0.002 0.000 0.870 232 S HN 1.143 nan 8.310 nan 0.000 0.497 233 S N 0.766 116.477 115.700 0.020 0.000 2.636 233 S HA 0.496 4.967 4.470 0.001 0.000 0.268 233 S C 0.053 174.672 174.600 0.032 0.000 1.159 233 S CA 0.039 58.252 58.200 0.021 0.000 0.815 233 S CB 0.771 63.981 63.200 0.016 0.000 1.130 233 S HN 0.483 nan 8.310 nan 0.000 0.471 234 S N 0.460 116.178 115.700 0.031 0.000 2.597 234 S HA 0.127 4.598 4.470 0.001 0.000 0.224 234 S C 1.640 176.267 174.600 0.044 0.000 0.955 234 S CA 0.486 58.709 58.200 0.039 0.000 0.933 234 S CB -0.588 62.631 63.200 0.032 0.000 0.788 234 S HN 1.325 nan 8.310 nan 0.000 0.488 235 S N 2.111 117.835 115.700 0.040 0.000 2.419 235 S HA 0.029 4.500 4.470 0.001 0.000 0.233 235 S C 1.398 176.029 174.600 0.052 0.000 1.016 235 S CA 0.657 58.877 58.200 0.035 0.000 0.974 235 S CB -0.774 62.438 63.200 0.020 0.000 0.786 235 S HN 0.622 nan 8.310 nan 0.000 0.492 236 L N 0.734 122.010 121.223 0.089 0.000 2.628 236 L HA 0.355 4.696 4.340 0.001 0.000 0.229 236 L C 0.479 177.439 176.870 0.149 0.000 1.137 236 L CA -0.111 54.815 54.840 0.143 0.000 0.909 236 L CB -0.250 41.957 42.059 0.247 0.000 1.137 236 L HN 0.245 nan 8.230 nan 0.000 0.470 237 E N 1.473 121.733 120.200 0.101 0.000 2.373 237 E HA 0.234 4.585 4.350 0.001 0.000 0.267 237 E C -0.276 176.373 176.600 0.083 0.000 1.032 237 E CA 0.108 56.561 56.400 0.088 0.000 0.889 237 E CB 0.877 30.616 29.700 0.064 0.000 0.984 237 E HN -0.016 nan 8.360 nan 0.000 0.425 238 K N 1.185 121.637 120.400 0.086 0.000 2.435 238 K HA 0.487 4.808 4.320 0.001 0.000 0.251 238 K C -0.917 175.732 176.600 0.081 0.000 0.954 238 K CA -0.750 55.587 56.287 0.083 0.000 0.820 238 K CB 2.304 34.865 32.500 0.101 0.000 1.292 238 K HN 0.324 nan 8.250 nan 0.000 0.436 239 S N 0.600 116.351 115.700 0.085 0.000 2.607 239 S HA 0.606 5.076 4.470 0.001 0.000 0.303 239 S C -1.522 173.167 174.600 0.148 0.000 1.086 239 S CA -0.676 57.580 58.200 0.094 0.000 0.995 239 S CB 1.175 64.413 63.200 0.063 0.000 1.084 239 S HN 0.551 nan 8.310 nan 0.000 0.507 240 Y N 1.033 121.327 120.300 -0.010 0.000 2.401 240 Y HA 0.342 4.892 4.550 0.001 0.000 0.330 240 Y C -0.788 175.108 175.900 -0.007 0.000 1.071 240 Y CA -0.467 57.626 58.100 -0.012 0.000 1.049 240 Y CB 1.145 39.588 38.460 -0.029 0.000 1.239 240 Y HN 0.690 nan 8.280 nan 0.000 0.437 241 E N 6.734 126.764 120.200 -0.282 0.000 2.194 241 E HA 0.337 4.687 4.350 0.001 0.000 0.284 241 E C -1.008 175.517 176.600 -0.124 0.000 1.035 241 E CA -0.398 55.917 56.400 -0.142 0.000 0.836 241 E CB 0.695 30.306 29.700 -0.148 0.000 1.070 241 E HN 0.724 nan 8.360 nan 0.000 0.401 242 L N 5.791 127.080 121.223 0.109 0.000 2.453 242 L HA 0.166 4.507 4.340 0.001 0.000 0.261 242 L C -1.470 175.462 176.870 0.102 0.000 1.179 242 L CA -1.682 53.278 54.840 0.200 0.000 0.813 242 L CB 0.293 42.483 42.059 0.218 0.000 1.110 242 L HN 0.531 nan 8.230 nan 0.000 0.466 243 P HA -0.165 nan 4.420 nan 0.000 0.219 243 P C 0.474 177.805 177.300 0.053 0.000 1.146 243 P CA 1.017 64.159 63.100 0.071 0.000 0.808 243 P CB -0.024 31.727 31.700 0.084 0.000 0.779 244 D N -1.948 118.489 120.400 0.062 0.000 2.328 244 D HA 0.086 4.727 4.640 0.001 0.000 0.226 244 D C 1.464 177.788 176.300 0.041 0.000 1.066 244 D CA 0.494 54.520 54.000 0.044 0.000 0.861 244 D CB -0.885 39.939 40.800 0.040 0.000 0.912 244 D HN 0.227 nan 8.370 nan 0.000 0.521 245 G N -0.147 108.678 108.800 0.041 0.000 2.253 245 G HA2 -0.326 3.635 3.960 0.001 0.000 0.251 245 G HA3 -0.326 3.635 3.960 0.001 0.000 0.251 245 G C 0.227 175.155 174.900 0.047 0.000 0.998 245 G CA 0.118 45.237 45.100 0.031 0.000 0.621 245 G HN 0.482 nan 8.290 nan 0.000 0.524 246 Q N 0.114 119.959 119.800 0.075 0.000 2.364 246 Q HA 0.454 4.795 4.340 0.001 0.000 0.267 246 Q C -0.047 176.016 176.000 0.105 0.000 0.999 246 Q CA 0.100 55.968 55.803 0.108 0.000 0.886 246 Q CB 1.741 30.585 28.738 0.176 0.000 1.243 246 Q HN 0.222 nan 8.270 nan 0.000 0.415 247 V N 4.431 124.405 119.914 0.101 0.000 2.370 247 V HA 0.356 4.477 4.120 0.001 0.000 0.283 247 V C -0.169 175.982 176.094 0.095 0.000 1.023 247 V CA -0.510 61.840 62.300 0.082 0.000 0.857 247 V CB 1.207 33.064 31.823 0.058 0.000 0.985 247 V HN 0.645 nan 8.190 nan 0.000 0.443 248 I N 4.235 124.838 120.570 0.056 0.000 2.392 248 I HA 0.516 4.687 4.170 0.001 0.000 0.295 248 I C 0.040 176.171 176.117 0.022 0.000 0.985 248 I CA 0.284 61.562 61.300 -0.037 0.000 1.221 248 I CB 1.676 39.493 38.000 -0.306 0.000 1.366 248 I HN 0.601 nan 8.210 nan 0.000 0.467 249 T N 8.213 122.786 114.554 0.032 0.000 2.797 249 T HA 0.565 4.916 4.350 0.001 0.000 0.279 249 T C -0.384 174.327 174.700 0.020 0.000 0.991 249 T CA -0.369 61.756 62.100 0.041 0.000 0.979 249 T CB 1.035 69.936 68.868 0.056 0.000 0.943 249 T HN 0.488 nan 8.240 nan 0.000 0.444 250 I N -0.501 120.078 120.570 0.014 0.000 2.646 250 I HA 0.950 5.121 4.170 0.001 0.000 0.299 250 I C 0.459 176.591 176.117 0.025 0.000 1.036 250 I CA -0.924 60.372 61.300 -0.007 0.000 1.074 250 I CB 2.096 40.066 38.000 -0.050 0.000 1.258 250 I HN 0.679 nan 8.210 nan 0.000 0.430 251 G N 2.998 111.800 108.800 0.003 0.000 2.474 251 G HA2 0.030 3.990 3.960 0.001 0.000 0.205 251 G HA3 0.030 3.990 3.960 0.001 0.000 0.205 251 G C 0.655 175.537 174.900 -0.030 0.000 1.934 251 G CA 0.398 45.525 45.100 0.046 0.000 0.713 251 G HN 0.726 nan 8.290 nan 0.000 0.773 252 N N 1.437 120.041 118.700 -0.160 0.000 2.443 252 N HA -0.024 4.716 4.740 0.001 0.000 0.184 252 N C 1.425 176.484 175.510 -0.751 0.000 1.037 252 N CA 1.587 54.245 53.050 -0.652 0.000 0.896 252 N CB -0.280 37.901 38.487 -0.509 0.000 0.959 252 N HN 0.431 nan 8.380 nan 0.000 0.442 253 E N 0.654 120.634 120.200 -0.366 0.000 2.153 253 E HA -0.065 4.286 4.350 0.001 0.000 0.194 253 E C 1.879 178.313 176.600 -0.276 0.000 0.988 253 E CA 0.895 57.116 56.400 -0.298 0.000 0.811 253 E CB -0.129 29.448 29.700 -0.206 0.000 0.746 253 E HN 0.452 nan 8.360 nan 0.000 0.466 254 R N -0.221 120.147 120.500 -0.221 0.000 2.091 254 R HA -0.158 4.183 4.340 0.001 0.000 0.238 254 R C 1.983 178.163 176.300 -0.200 0.000 1.136 254 R CA 1.868 57.915 56.100 -0.088 0.000 0.959 254 R CB -0.399 29.993 30.300 0.154 0.000 0.856 254 R HN 0.405 nan 8.270 nan 0.000 0.437 255 F N -1.589 118.158 119.950 -0.339 0.000 2.717 255 F HA 0.366 4.894 4.527 0.001 0.000 0.297 255 F C 1.802 177.596 175.800 -0.011 0.000 1.113 255 F CA -0.588 57.176 58.000 -0.392 0.000 1.319 255 F CB -0.150 38.451 39.000 -0.664 0.000 1.097 255 F HN -0.332 nan 8.300 nan 0.000 0.595 256 R N 0.408 120.771 120.500 -0.229 0.000 2.105 256 R HA -0.156 4.185 4.340 0.001 0.000 0.239 256 R C 2.408 178.885 176.300 0.296 0.000 1.135 256 R CA 1.633 57.851 56.100 0.196 0.000 0.967 256 R CB -1.100 29.226 30.300 0.044 0.000 0.861 256 R HN 0.595 nan 8.270 nan 0.000 0.442 257 C N 1.558 120.926 119.300 0.112 0.000 2.418 257 C HA -0.016 4.445 4.460 0.001 0.000 0.280 257 C C -0.524 174.499 174.990 0.056 0.000 1.223 257 C CA 0.866 60.005 59.018 0.201 0.000 1.736 257 C CB -1.032 26.721 27.740 0.022 0.000 2.056 257 C HN 0.317 nan 8.230 nan 0.000 0.459 258 P HA -0.027 nan 4.420 nan 0.000 0.233 258 P C 1.091 178.283 177.300 -0.181 0.000 1.167 258 P CA 1.416 64.281 63.100 -0.392 0.000 0.770 258 P CB -0.314 30.785 31.700 -1.002 0.000 0.837 259 E N 0.630 120.767 120.200 -0.105 0.000 2.209 259 E HA -0.148 4.203 4.350 0.001 0.000 0.196 259 E C 1.654 177.985 176.600 -0.450 0.000 0.993 259 E CA 1.629 57.889 56.400 -0.232 0.000 0.819 259 E CB -1.297 28.141 29.700 -0.436 0.000 0.745 259 E HN 0.101 nan 8.360 nan 0.000 0.477 260 T N 0.904 115.219 114.554 -0.398 0.000 2.721 260 T HA -0.198 4.153 4.350 0.001 0.000 0.268 260 T C 1.721 176.213 174.700 -0.346 0.000 1.038 260 T CA 1.466 63.303 62.100 -0.440 0.000 1.145 260 T CB -0.301 68.378 68.868 -0.314 0.000 0.858 260 T HN 0.194 nan 8.240 nan 0.000 0.459 261 L N -0.529 120.518 121.223 -0.293 0.000 2.081 261 L HA -0.109 4.232 4.340 0.001 0.000 0.212 261 L C 2.182 178.763 176.870 -0.481 0.000 1.080 261 L CA 1.541 56.155 54.840 -0.378 0.000 0.754 261 L CB -0.569 41.218 42.059 -0.453 0.000 0.893 261 L HN 0.278 nan 8.230 nan 0.000 0.433 262 F N -0.954 118.845 119.950 -0.252 0.000 2.387 262 F HA 0.019 4.547 4.527 0.001 0.000 0.294 262 F C 1.173 176.828 175.800 -0.241 0.000 1.093 262 F CA 0.361 58.226 58.000 -0.225 0.000 1.420 262 F CB 0.130 38.895 39.000 -0.390 0.000 1.086 262 F HN 0.032 nan 8.300 nan 0.000 0.531 263 Q N 0.572 120.181 119.800 -0.318 0.000 2.907 263 Q HA 0.201 4.542 4.340 0.001 0.000 0.262 263 Q C -2.160 173.605 176.000 -0.392 0.000 0.997 263 Q CA -1.620 53.933 55.803 -0.417 0.000 0.797 263 Q CB 1.129 29.398 28.738 -0.783 0.000 1.228 263 Q HN 0.037 nan 8.270 nan 0.000 0.466 264 P HA -0.205 nan 4.420 nan 0.000 0.226 264 P C 1.348 178.591 177.300 -0.096 0.000 1.146 264 P CA 1.238 64.237 63.100 -0.169 0.000 0.773 264 P CB 0.205 31.829 31.700 -0.127 0.000 0.772 265 S N -1.958 113.718 115.700 -0.041 0.000 2.469 265 S HA -0.171 4.300 4.470 0.001 0.000 0.238 265 S C 1.674 176.354 174.600 0.134 0.000 0.998 265 S CA 0.792 59.020 58.200 0.045 0.000 0.957 265 S CB -1.521 61.727 63.200 0.080 0.000 0.764 265 S HN -0.042 nan 8.310 nan 0.000 0.514 266 F N 2.604 122.433 119.950 -0.201 0.000 2.269 266 F HA 0.137 4.664 4.527 0.001 0.000 0.301 266 F C 1.832 177.415 175.800 -0.361 0.000 1.082 266 F CA 0.117 57.946 58.000 -0.285 0.000 1.360 266 F CB -0.496 38.236 39.000 -0.447 0.000 1.041 266 F HN 0.420 nan 8.300 nan 0.000 0.512 267 I N -3.701 116.780 120.570 -0.147 0.000 3.856 267 I HA 0.552 4.723 4.170 0.001 0.000 0.330 267 I C 1.182 177.264 176.117 -0.058 0.000 1.546 267 I CA 0.421 61.638 61.300 -0.140 0.000 1.132 267 I CB -0.042 37.845 38.000 -0.187 0.000 1.157 267 I HN 0.117 nan 8.210 nan 0.000 0.440 268 G N 1.751 110.532 108.800 -0.032 0.000 2.136 268 G HA2 -0.242 3.719 3.960 0.001 0.000 0.242 268 G HA3 -0.242 3.719 3.960 0.001 0.000 0.242 268 G C 0.005 174.890 174.900 -0.025 0.000 0.989 268 G CA 0.088 45.178 45.100 -0.017 0.000 0.682 268 G HN 0.448 nan 8.290 nan 0.000 0.522 269 M N -0.174 119.402 119.600 -0.039 0.000 2.264 269 M HA 0.392 4.873 4.480 0.001 0.000 0.352 269 M C 1.115 177.394 176.300 -0.036 0.000 1.173 269 M CA -0.289 54.985 55.300 -0.044 0.000 1.075 269 M CB 1.349 33.910 32.600 -0.065 0.000 1.621 269 M HN 0.148 nan 8.290 nan 0.000 0.457 270 E N 0.663 120.845 120.200 -0.031 0.000 2.489 270 E HA 0.057 4.408 4.350 0.001 0.000 0.193 270 E C -0.127 176.453 176.600 -0.034 0.000 1.057 270 E CA -0.118 56.267 56.400 -0.025 0.000 0.866 270 E CB 0.478 30.168 29.700 -0.018 0.000 0.916 270 E HN 0.619 nan 8.360 nan 0.000 0.500 271 S N 1.038 116.710 115.700 -0.047 0.000 2.569 271 S HA 0.162 4.633 4.470 0.001 0.000 0.274 271 S C 0.252 174.816 174.600 -0.060 0.000 1.353 271 S CA -0.301 57.865 58.200 -0.056 0.000 1.023 271 S CB 0.876 64.032 63.200 -0.073 0.000 0.876 271 S HN 0.328 nan 8.310 nan 0.000 0.540 272 A N 1.707 124.488 122.820 -0.065 0.000 2.498 272 A HA 0.501 4.821 4.320 0.001 0.000 0.239 272 A C 0.985 178.513 177.584 -0.093 0.000 1.068 272 A CA 0.031 52.019 52.037 -0.082 0.000 0.766 272 A CB -0.449 18.498 19.000 -0.088 0.000 1.003 272 A HN 0.912 nan 8.150 nan 0.000 0.497 273 G N 0.271 109.025 108.800 -0.077 0.000 2.651 273 G HA2 0.372 4.333 3.960 0.001 0.000 0.260 273 G HA3 0.372 4.333 3.960 0.001 0.000 0.260 273 G C 1.031 175.889 174.900 -0.070 0.000 1.216 273 G CA -0.016 45.064 45.100 -0.033 0.000 0.913 273 G HN 1.206 nan 8.290 nan 0.000 0.535 274 I N -1.687 118.799 120.570 -0.140 0.000 2.493 274 I HA -0.151 4.020 4.170 0.001 0.000 0.254 274 I C 2.275 178.385 176.117 -0.011 0.000 1.160 274 I CA 1.636 62.833 61.300 -0.171 0.000 1.445 274 I CB -0.543 37.247 38.000 -0.349 0.000 1.086 274 I HN 0.621 nan 8.210 nan 0.000 0.433 275 H N 1.586 120.617 119.070 -0.064 0.000 2.389 275 H HA -0.039 4.518 4.556 0.001 0.000 0.299 275 H C 1.535 176.927 175.328 0.105 0.000 1.081 275 H CA 1.752 57.865 56.048 0.108 0.000 1.345 275 H CB -0.903 29.007 29.762 0.246 0.000 1.393 275 H HN 0.533 nan 8.280 nan 0.000 0.520 276 E N 0.539 120.447 120.200 -0.487 0.000 2.112 276 E HA -0.086 4.264 4.350 0.001 0.000 0.190 276 E C 2.403 178.967 176.600 -0.059 0.000 0.979 276 E CA 1.610 57.839 56.400 -0.285 0.000 0.814 276 E CB 0.074 29.547 29.700 -0.379 0.000 0.762 276 E HN 0.734 nan 8.360 nan 0.000 0.460 277 T N -1.137 113.370 114.554 -0.077 0.000 2.821 277 T HA -0.127 4.223 4.350 0.001 0.000 0.267 277 T C 2.083 176.768 174.700 -0.024 0.000 1.046 277 T CA 1.571 63.641 62.100 -0.050 0.000 1.139 277 T CB -0.619 68.208 68.868 -0.068 0.000 0.871 277 T HN -0.045 nan 8.240 nan 0.000 0.454 278 T N 0.958 115.517 114.554 0.007 0.000 2.674 278 T HA -0.091 4.260 4.350 0.001 0.000 0.265 278 T C 1.495 176.219 174.700 0.040 0.000 1.039 278 T CA 1.636 63.753 62.100 0.028 0.000 1.150 278 T CB -0.700 68.214 68.868 0.076 0.000 0.864 278 T HN 0.541 nan 8.240 nan 0.000 0.427 279 Y N 2.792 123.084 120.300 -0.013 0.000 2.145 279 Y HA -0.177 4.373 4.550 0.001 0.000 0.286 279 Y C 2.211 178.091 175.900 -0.033 0.000 1.145 279 Y CA 1.307 59.411 58.100 0.006 0.000 1.148 279 Y CB -0.585 37.901 38.460 0.045 0.000 0.981 279 Y HN 0.105 nan 8.280 nan 0.000 0.507 280 N N -0.401 118.230 118.700 -0.115 0.000 2.166 280 N HA -0.190 4.551 4.740 0.001 0.000 0.186 280 N C 2.175 177.564 175.510 -0.201 0.000 1.019 280 N CA 1.421 54.355 53.050 -0.192 0.000 0.856 280 N CB -0.724 37.726 38.487 -0.062 0.000 0.993 280 N HN 0.405 nan 8.380 nan 0.000 0.426 281 S N 0.601 116.210 115.700 -0.153 0.000 2.355 281 S HA 0.045 4.516 4.470 0.001 0.000 0.222 281 S C 1.997 176.477 174.600 -0.199 0.000 1.031 281 S CA 0.539 58.651 58.200 -0.148 0.000 0.993 281 S CB -0.202 62.932 63.200 -0.110 0.000 0.859 281 S HN 0.215 nan 8.310 nan 0.000 0.453 282 I N 1.370 121.787 120.570 -0.255 0.000 2.208 282 I HA -0.183 3.988 4.170 0.001 0.000 0.245 282 I C 2.343 178.270 176.117 -0.316 0.000 1.097 282 I CA 1.084 62.184 61.300 -0.335 0.000 1.363 282 I CB -0.299 37.375 38.000 -0.543 0.000 1.051 282 I HN 0.354 nan 8.210 nan 0.000 0.413 283 M N -0.025 119.347 119.600 -0.380 0.000 2.374 283 M HA -0.112 4.369 4.480 0.001 0.000 0.264 283 M C 1.982 178.184 176.300 -0.163 0.000 1.067 283 M CA 1.323 56.435 55.300 -0.313 0.000 1.103 283 M CB -0.915 31.410 32.600 -0.459 0.000 1.402 283 M HN 0.084 nan 8.290 nan 0.000 0.444 284 K N -0.180 120.141 120.400 -0.130 0.000 2.288 284 K HA 0.028 4.348 4.320 0.001 0.000 0.201 284 K C 0.536 177.186 176.600 0.084 0.000 1.048 284 K CA 0.225 56.503 56.287 -0.015 0.000 0.956 284 K CB -0.330 32.166 32.500 -0.007 0.000 0.746 284 K HN 0.336 nan 8.250 nan 0.000 0.461 285 C N 1.867 121.157 119.300 -0.016 0.000 2.520 285 C HA 0.123 4.584 4.460 0.001 0.000 0.376 285 C C 0.795 175.778 174.990 -0.012 0.000 1.268 285 C CA -1.437 57.588 59.018 0.012 0.000 2.414 285 C CB 0.512 28.201 27.740 -0.085 0.000 2.521 285 C HN 0.408 nan 8.230 nan 0.000 0.618 286 D N 1.033 121.420 120.400 -0.022 0.000 2.662 286 D HA -0.090 4.551 4.640 0.001 0.000 0.233 286 D C 1.028 177.296 176.300 -0.054 0.000 1.129 286 D CA 0.364 54.330 54.000 -0.058 0.000 0.851 286 D CB 0.284 41.017 40.800 -0.113 0.000 1.152 286 D HN 0.583 nan 8.370 nan 0.000 0.507 287 I N 3.237 123.787 120.570 -0.033 0.000 2.300 287 I HA -0.334 3.837 4.170 0.001 0.000 0.252 287 I C 1.003 177.119 176.117 -0.001 0.000 1.119 287 I CA 1.438 62.732 61.300 -0.009 0.000 1.384 287 I CB 0.201 38.202 38.000 0.002 0.000 1.062 287 I HN 0.351 nan 8.210 nan 0.000 0.426 288 D N 0.471 120.859 120.400 -0.020 0.000 2.348 288 D HA -0.070 4.571 4.640 0.001 0.000 0.216 288 D C 1.765 178.059 176.300 -0.009 0.000 0.970 288 D CA 1.276 55.270 54.000 -0.010 0.000 0.889 288 D CB -0.042 40.744 40.800 -0.022 0.000 0.912 288 D HN 0.679 nan 8.370 nan 0.000 0.524 289 I N -3.007 117.538 120.570 -0.042 0.000 4.018 289 I HA 0.227 4.397 4.170 0.001 0.000 0.337 289 I C 1.648 177.770 176.117 0.008 0.000 1.327 289 I CA -0.278 61.014 61.300 -0.014 0.000 1.100 289 I CB 0.338 38.280 38.000 -0.097 0.000 1.025 289 I HN -0.301 nan 8.210 nan 0.000 0.396 290 R N 1.891 122.392 120.500 0.001 0.000 2.120 290 R HA -0.056 4.285 4.340 0.001 0.000 0.234 290 R C 1.966 178.335 176.300 0.115 0.000 1.123 290 R CA 1.374 57.460 56.100 -0.024 0.000 0.975 290 R CB -0.274 30.021 30.300 -0.008 0.000 0.866 290 R HN 0.422 nan 8.270 nan 0.000 0.446 291 K N 0.476 120.984 120.400 0.181 0.000 2.063 291 K HA -0.161 4.160 4.320 0.001 0.000 0.208 291 K C 1.481 178.186 176.600 0.175 0.000 1.048 291 K CA 1.575 57.994 56.287 0.219 0.000 0.928 291 K CB -0.054 32.528 32.500 0.136 0.000 0.713 291 K HN 0.160 nan 8.250 nan 0.000 0.442 292 D N 0.813 121.284 120.400 0.119 0.000 2.178 292 D HA -0.092 4.548 4.640 0.001 0.000 0.202 292 D C 1.959 178.309 176.300 0.085 0.000 0.974 292 D CA 0.835 54.897 54.000 0.103 0.000 0.841 292 D CB -0.067 40.800 40.800 0.110 0.000 0.953 292 D HN 0.145 nan 8.370 nan 0.000 0.478 293 L N -0.344 120.903 121.223 0.040 0.000 2.027 293 L HA -0.180 4.160 4.340 0.001 0.000 0.206 293 L C 2.400 179.274 176.870 0.006 0.000 1.074 293 L CA 0.972 55.796 54.840 -0.027 0.000 0.745 293 L CB -0.571 41.400 42.059 -0.146 0.000 0.898 293 L HN 0.024 nan 8.230 nan 0.000 0.433 294 Y N 0.229 120.559 120.300 0.050 0.000 2.256 294 Y HA -0.194 4.357 4.550 0.001 0.000 0.288 294 Y C 2.508 178.440 175.900 0.054 0.000 1.155 294 Y CA 1.115 59.250 58.100 0.059 0.000 1.203 294 Y CB -0.546 37.953 38.460 0.063 0.000 0.980 294 Y HN 0.133 nan 8.280 nan 0.000 0.530 295 A N -0.895 122.050 122.820 0.208 0.000 2.251 295 A HA 0.075 4.395 4.320 0.001 0.000 0.209 295 A C 0.697 178.338 177.584 0.096 0.000 1.187 295 A CA 0.384 52.500 52.037 0.132 0.000 0.823 295 A CB -0.213 18.851 19.000 0.106 0.000 0.846 295 A HN 0.360 nan 8.150 nan 0.000 0.486 296 N N 1.135 119.889 118.700 0.090 0.000 2.646 296 N HA 0.070 4.810 4.740 0.001 0.000 0.296 296 N C -1.446 174.096 175.510 0.054 0.000 1.886 296 N CA -0.192 52.896 53.050 0.064 0.000 0.855 296 N CB 0.381 38.901 38.487 0.055 0.000 1.336 296 N HN 0.288 nan 8.380 nan 0.000 0.496 297 N N 1.170 119.909 118.700 0.065 0.000 2.415 297 N HA 0.165 4.906 4.740 0.001 0.000 0.246 297 N C -0.366 175.174 175.510 0.050 0.000 1.078 297 N CA 0.111 53.195 53.050 0.056 0.000 0.942 297 N CB 2.028 40.564 38.487 0.082 0.000 1.140 297 N HN -0.044 nan 8.380 nan 0.000 0.501 298 V N 3.887 123.821 119.914 0.034 0.000 2.472 298 V HA 0.383 4.504 4.120 0.001 0.000 0.290 298 V C 0.438 176.546 176.094 0.025 0.000 1.037 298 V CA -0.510 61.808 62.300 0.030 0.000 0.908 298 V CB 1.732 33.567 31.823 0.021 0.000 0.985 298 V HN 0.540 nan 8.190 nan 0.000 0.454 299 M N 4.377 123.995 119.600 0.029 0.000 2.300 299 M HA 0.600 5.081 4.480 0.001 0.000 0.348 299 M C -0.162 176.145 176.300 0.011 0.000 1.151 299 M CA -0.045 55.270 55.300 0.024 0.000 1.046 299 M CB 1.957 34.580 32.600 0.038 0.000 1.647 299 M HN 0.841 nan 8.290 nan 0.000 0.451 300 S N 1.477 117.178 115.700 0.000 0.000 2.607 300 S HA 0.988 5.459 4.470 0.001 0.000 0.273 300 S C -0.401 174.184 174.600 -0.024 0.000 1.148 300 S CA -0.244 57.950 58.200 -0.011 0.000 0.833 300 S CB 1.948 65.145 63.200 -0.006 0.000 1.130 300 S HN 1.316 nan 8.310 nan 0.000 0.470 301 G N -0.172 108.600 108.800 -0.046 0.000 2.690 301 G HA2 0.307 4.268 3.960 0.001 0.000 0.686 301 G HA3 0.307 4.268 3.960 0.001 0.000 0.686 301 G C 0.681 175.520 174.900 -0.101 0.000 1.277 301 G CA -0.088 44.973 45.100 -0.065 0.000 0.799 301 G HN 1.797 nan 8.290 nan 0.000 0.613 302 G N -1.001 107.723 108.800 -0.126 0.000 2.432 302 G HA2 0.075 4.036 3.960 0.001 0.000 0.219 302 G HA3 0.075 4.036 3.960 0.001 0.000 0.219 302 G C 1.634 176.432 174.900 -0.170 0.000 1.135 302 G CA 2.176 47.175 45.100 -0.167 0.000 0.767 302 G HN 1.305 nan 8.290 nan 0.000 0.550 303 T N 0.667 115.164 114.554 -0.094 0.000 3.148 303 T HA 0.020 4.370 4.350 0.001 0.000 0.253 303 T C 2.329 177.053 174.700 0.040 0.000 1.134 303 T CA 1.380 63.467 62.100 -0.022 0.000 1.051 303 T CB -0.116 68.773 68.868 0.035 0.000 0.959 303 T HN 0.523 nan 8.240 nan 0.000 0.525 304 T N -0.907 113.634 114.554 -0.021 0.000 3.122 304 T HA 0.216 4.567 4.350 0.001 0.000 0.250 304 T C 1.643 176.334 174.700 -0.016 0.000 1.067 304 T CA -0.204 61.915 62.100 0.031 0.000 0.966 304 T CB -0.238 68.641 68.868 0.017 0.000 1.002 304 T HN 0.074 nan 8.240 nan 0.000 0.542 305 M N 0.739 120.232 119.600 -0.177 0.000 2.619 305 M HA 0.214 4.694 4.480 0.001 0.000 0.251 305 M C -0.309 175.886 176.300 -0.175 0.000 1.106 305 M CA 0.015 55.197 55.300 -0.198 0.000 1.086 305 M CB -1.060 31.381 32.600 -0.264 0.000 1.465 305 M HN 0.353 nan 8.290 nan 0.000 0.506 306 Y N 1.739 122.072 120.300 0.055 0.000 2.632 306 Y HA 0.048 4.599 4.550 0.002 0.000 0.329 306 Y C -1.662 174.305 175.900 0.111 0.000 1.174 306 Y CA -1.838 56.320 58.100 0.097 0.000 1.469 306 Y CB -0.694 37.840 38.460 0.123 0.000 1.242 306 Y HN 0.104 nan 8.280 nan 0.000 0.540 307 P HA -0.001 nan 4.420 nan 0.000 0.265 307 P C 0.833 178.273 177.300 0.233 0.000 1.187 307 P CA 1.551 64.761 63.100 0.183 0.000 0.766 307 P CB 0.568 32.349 31.700 0.136 0.000 0.820 308 G N 2.601 111.496 108.800 0.157 0.000 2.199 308 G HA2 -0.340 3.621 3.960 0.001 0.000 0.254 308 G HA3 -0.340 3.621 3.960 0.001 0.000 0.254 308 G C 0.911 175.899 174.900 0.147 0.000 0.982 308 G CA 0.223 45.408 45.100 0.143 0.000 0.632 308 G HN 0.566 nan 8.290 nan 0.000 0.529 309 I N 0.793 121.483 120.570 0.199 0.000 2.394 309 I HA 0.106 4.277 4.170 0.001 0.000 0.251 309 I C 2.837 179.071 176.117 0.196 0.000 1.136 309 I CA 2.027 63.474 61.300 0.244 0.000 1.425 309 I CB -0.191 37.982 38.000 0.289 0.000 1.079 309 I HN 0.358 nan 8.210 nan 0.000 0.425 310 A N 0.247 123.150 122.820 0.137 0.000 1.872 310 A HA -0.207 4.113 4.320 0.001 0.000 0.214 310 A C 1.919 179.554 177.584 0.085 0.000 1.187 310 A CA 1.831 53.933 52.037 0.108 0.000 0.614 310 A CB -0.622 18.427 19.000 0.081 0.000 0.826 310 A HN 0.403 nan 8.150 nan 0.000 0.442 311 D N -0.620 119.816 120.400 0.061 0.000 2.117 311 D HA -0.148 4.493 4.640 0.001 0.000 0.197 311 D C 2.099 178.401 176.300 0.004 0.000 0.987 311 D CA 1.465 55.482 54.000 0.029 0.000 0.829 311 D CB -0.250 40.558 40.800 0.014 0.000 0.961 311 D HN 0.338 nan 8.370 nan 0.000 0.460 312 R N 0.447 120.938 120.500 -0.015 0.000 2.066 312 R HA -0.066 4.275 4.340 0.001 0.000 0.232 312 R C 2.061 178.326 176.300 -0.058 0.000 1.131 312 R CA 1.097 57.116 56.100 -0.134 0.000 0.955 312 R CB -0.720 29.387 30.300 -0.321 0.000 0.851 312 R HN 0.079 nan 8.270 nan 0.000 0.432 313 M N 0.454 120.128 119.600 0.123 0.000 2.117 313 M HA -0.136 4.344 4.480 0.001 0.000 0.262 313 M C 2.108 178.488 176.300 0.133 0.000 1.065 313 M CA 2.014 57.443 55.300 0.215 0.000 1.114 313 M CB -0.510 32.234 32.600 0.240 0.000 1.361 313 M HN 0.287 nan 8.290 nan 0.000 0.408 314 Q N 0.409 120.262 119.800 0.090 0.000 2.077 314 Q HA -0.271 4.070 4.340 0.001 0.000 0.206 314 Q C 2.082 178.106 176.000 0.039 0.000 0.989 314 Q CA 2.749 58.592 55.803 0.066 0.000 0.853 314 Q CB -0.430 28.336 28.738 0.047 0.000 0.907 314 Q HN 0.643 nan 8.270 nan 0.000 0.418 315 K N -0.613 119.792 120.400 0.007 0.000 2.026 315 K HA -0.185 4.136 4.320 0.001 0.000 0.208 315 K C 1.859 178.453 176.600 -0.010 0.000 1.048 315 K CA 1.535 57.810 56.287 -0.020 0.000 0.929 315 K CB -0.058 32.407 32.500 -0.059 0.000 0.713 315 K HN 0.202 nan 8.250 nan 0.000 0.439 316 E N 0.839 121.040 120.200 0.002 0.000 2.072 316 E HA -0.155 4.196 4.350 0.001 0.000 0.191 316 E C 2.118 178.781 176.600 0.104 0.000 0.985 316 E CA 0.813 57.245 56.400 0.054 0.000 0.801 316 E CB -0.101 29.653 29.700 0.090 0.000 0.750 316 E HN 0.364 nan 8.360 nan 0.000 0.452 317 I N 1.338 121.987 120.570 0.132 0.000 2.252 317 I HA -0.174 3.997 4.170 0.001 0.000 0.245 317 I C 2.244 178.396 176.117 0.058 0.000 1.102 317 I CA 1.142 62.532 61.300 0.150 0.000 1.385 317 I CB -1.538 36.597 38.000 0.224 0.000 1.064 317 I HN 0.056 nan 8.210 nan 0.000 0.414 318 T N 1.512 116.081 114.554 0.024 0.000 2.699 318 T HA -0.172 4.179 4.350 0.001 0.000 0.268 318 T C 1.995 176.666 174.700 -0.047 0.000 1.036 318 T CA 1.702 63.786 62.100 -0.027 0.000 1.147 318 T CB -0.275 68.582 68.868 -0.019 0.000 0.862 318 T HN 0.470 nan 8.240 nan 0.000 0.446 319 A N 0.580 123.378 122.820 -0.037 0.000 2.015 319 A HA 0.099 4.420 4.320 0.001 0.000 0.219 319 A C 2.198 179.722 177.584 -0.100 0.000 1.163 319 A CA 1.036 53.041 52.037 -0.053 0.000 0.646 319 A CB -0.545 18.434 19.000 -0.034 0.000 0.806 319 A HN 0.500 nan 8.150 nan 0.000 0.448 320 L N -1.240 119.892 121.223 -0.152 0.000 2.249 320 L HA 0.193 4.534 4.340 0.001 0.000 0.207 320 L C 1.583 178.286 176.870 -0.278 0.000 1.090 320 L CA 0.241 54.860 54.840 -0.368 0.000 0.802 320 L CB -0.331 41.290 42.059 -0.730 0.000 0.947 320 L HN 0.370 nan 8.230 nan 0.000 0.453 321 A N 0.042 122.795 122.820 -0.111 0.000 2.272 321 A HA 0.502 4.823 4.320 0.001 0.000 0.275 321 A C -2.214 175.315 177.584 -0.091 0.000 1.096 321 A CA -1.191 50.806 52.037 -0.067 0.000 0.822 321 A CB -0.434 18.334 19.000 -0.386 0.000 1.088 321 A HN -0.069 nan 8.150 nan 0.000 0.495 322 P HA 0.049 nan 4.420 nan 0.000 0.267 322 P C 0.901 178.149 177.300 -0.086 0.000 1.200 322 P CA 0.545 63.612 63.100 -0.055 0.000 0.772 322 P CB 0.644 32.325 31.700 -0.032 0.000 0.855 323 S N 0.418 116.086 115.700 -0.053 0.000 2.442 323 S HA -0.145 4.326 4.470 0.001 0.000 0.236 323 S C 1.388 175.957 174.600 -0.051 0.000 1.007 323 S CA 1.620 59.790 58.200 -0.050 0.000 0.965 323 S CB -1.423 61.758 63.200 -0.031 0.000 0.773 323 S HN 0.597 nan 8.310 nan 0.000 0.504 324 T N -1.628 112.898 114.554 -0.048 0.000 3.107 324 T HA 0.352 4.703 4.350 0.001 0.000 0.249 324 T C 0.403 175.069 174.700 -0.057 0.000 1.096 324 T CA -0.324 61.752 62.100 -0.040 0.000 1.012 324 T CB -0.459 68.395 68.868 -0.023 0.000 0.977 324 T HN 0.293 nan 8.240 nan 0.000 0.527 325 M N 2.989 122.525 119.600 -0.106 0.000 2.246 325 M HA 0.262 4.742 4.480 0.001 0.000 0.350 325 M C 0.139 176.373 176.300 -0.110 0.000 1.406 325 M CA -0.683 54.525 55.300 -0.154 0.000 1.089 325 M CB 0.445 32.815 32.600 -0.383 0.000 1.782 325 M HN 0.085 nan 8.290 nan 0.000 0.457 326 K N 5.524 125.895 120.400 -0.047 0.000 2.378 326 K HA 0.254 4.575 4.320 0.001 0.000 0.288 326 K C -1.313 175.300 176.600 0.021 0.000 1.057 326 K CA -0.200 56.084 56.287 -0.006 0.000 0.971 326 K CB 0.254 32.768 32.500 0.024 0.000 0.975 326 K HN 0.604 nan 8.250 nan 0.000 0.475 327 I N 4.603 125.186 120.570 0.023 0.000 2.404 327 I HA 0.350 4.520 4.170 0.001 0.000 0.293 327 I C -0.354 175.809 176.117 0.076 0.000 0.992 327 I CA -0.496 60.848 61.300 0.074 0.000 1.149 327 I CB 1.347 39.377 38.000 0.051 0.000 1.315 327 I HN 0.681 nan 8.210 nan 0.000 0.446 328 K N 6.551 127.010 120.400 0.099 0.000 2.513 328 K HA 0.579 4.899 4.320 0.001 0.000 0.251 328 K C -1.721 174.931 176.600 0.086 0.000 0.939 328 K CA -0.570 55.764 56.287 0.079 0.000 0.793 328 K CB 2.115 34.655 32.500 0.067 0.000 1.241 328 K HN 0.351 nan 8.250 nan 0.000 0.431 329 I N 5.354 125.970 120.570 0.077 0.000 2.378 329 I HA 0.354 4.525 4.170 0.001 0.000 0.291 329 I C -0.275 175.879 176.117 0.061 0.000 0.992 329 I CA -0.935 60.411 61.300 0.077 0.000 1.154 329 I CB 1.084 39.136 38.000 0.087 0.000 1.315 329 I HN 0.540 nan 8.210 nan 0.000 0.448 330 I N 5.351 125.955 120.570 0.055 0.000 2.339 330 I HA 0.521 4.692 4.170 0.001 0.000 0.290 330 I C 0.375 176.519 176.117 0.044 0.000 0.994 330 I CA -0.065 61.263 61.300 0.046 0.000 1.191 330 I CB 1.725 39.750 38.000 0.042 0.000 1.343 330 I HN 0.691 nan 8.210 nan 0.000 0.458 331 A N 7.852 130.698 122.820 0.043 0.000 2.842 331 A HA 0.724 5.045 4.320 0.001 0.000 0.339 331 A C -2.544 175.060 177.584 0.032 0.000 1.177 331 A CA -1.370 50.691 52.037 0.039 0.000 0.797 331 A CB -0.338 18.692 19.000 0.049 0.000 1.094 331 A HN 0.401 nan 8.150 nan 0.000 0.474 332 P HA 0.195 nan 4.420 nan 0.000 0.269 332 P C -1.990 175.325 177.300 0.025 0.000 1.209 332 P CA -1.006 62.112 63.100 0.031 0.000 0.776 332 P CB 0.476 32.198 31.700 0.037 0.000 0.876 333 P HA -0.169 nan 4.420 nan 0.000 0.217 333 P C 0.394 177.710 177.300 0.026 0.000 1.148 333 P CA 1.492 64.606 63.100 0.024 0.000 0.828 333 P CB -0.006 31.712 31.700 0.031 0.000 0.783 334 E N -1.023 119.205 120.200 0.047 0.000 2.403 334 E HA 0.003 4.354 4.350 0.001 0.000 0.188 334 E C 1.598 178.226 176.600 0.047 0.000 1.056 334 E CA -0.094 56.354 56.400 0.079 0.000 0.892 334 E CB -0.599 29.175 29.700 0.123 0.000 1.049 334 E HN 0.388 nan 8.360 nan 0.000 0.465 335 R N 0.696 121.194 120.500 -0.004 0.000 2.285 335 R HA -0.010 4.330 4.340 0.001 0.000 0.213 335 R C 1.697 177.942 176.300 -0.092 0.000 1.068 335 R CA 0.877 56.964 56.100 -0.021 0.000 1.004 335 R CB -0.125 30.165 30.300 -0.016 0.000 0.873 335 R HN 0.003 nan 8.270 nan 0.000 0.467 336 K N 0.371 120.642 120.400 -0.214 0.000 2.152 336 K HA -0.149 4.172 4.320 0.001 0.000 0.206 336 K C 0.218 176.515 176.600 -0.504 0.000 1.048 336 K CA 1.375 57.395 56.287 -0.446 0.000 0.933 336 K CB 0.067 32.128 32.500 -0.731 0.000 0.721 336 K HN 0.302 nan 8.250 nan 0.000 0.447 337 Y N -0.669 119.650 120.300 0.033 0.000 2.660 337 Y HA 0.134 4.685 4.550 0.001 0.000 0.254 337 Y C 1.690 177.673 175.900 0.138 0.000 1.176 337 Y CA -0.256 57.892 58.100 0.080 0.000 1.195 337 Y CB 0.298 38.791 38.460 0.054 0.000 1.190 337 Y HN 0.080 nan 8.280 nan 0.000 0.535 338 S N -1.728 114.076 115.700 0.173 0.000 2.402 338 S HA -0.133 4.338 4.470 0.001 0.000 0.229 338 S C 1.881 176.552 174.600 0.117 0.000 1.021 338 S CA 1.218 59.500 58.200 0.137 0.000 0.974 338 S CB -0.890 62.351 63.200 0.068 0.000 0.800 338 S HN 0.176 nan 8.310 nan 0.000 0.484 339 V N 0.604 120.583 119.914 0.108 0.000 2.255 339 V HA -0.179 3.942 4.120 0.001 0.000 0.247 339 V C 2.187 178.335 176.094 0.090 0.000 1.051 339 V CA 2.130 64.470 62.300 0.068 0.000 1.018 339 V CB -1.152 30.710 31.823 0.066 0.000 0.641 339 V HN 0.737 nan 8.190 nan 0.000 0.445 340 W N 0.433 121.762 121.300 0.048 0.000 2.335 340 W HA -0.228 4.432 4.660 -0.000 0.000 0.311 340 W C 2.284 178.820 176.519 0.029 0.000 1.213 340 W CA 2.111 59.480 57.345 0.040 0.000 1.274 340 W CB -0.271 29.221 29.460 0.052 0.000 1.148 340 W HN 0.177 nan 8.180 nan 0.000 0.498 341 I N 0.471 121.230 120.570 0.314 0.000 2.208 341 I HA -0.263 3.908 4.170 0.001 0.000 0.245 341 I C 2.650 178.725 176.117 -0.070 0.000 1.097 341 I CA 1.679 63.082 61.300 0.171 0.000 1.363 341 I CB -1.244 36.906 38.000 0.249 0.000 1.051 341 I HN 0.202 nan 8.210 nan 0.000 0.413 342 G N 0.259 109.033 108.800 -0.043 0.000 2.422 342 G HA2 -0.195 3.765 3.960 0.001 0.000 0.218 342 G HA3 -0.195 3.765 3.960 0.001 0.000 0.218 342 G C 1.714 176.521 174.900 -0.155 0.000 1.146 342 G CA 0.819 45.888 45.100 -0.051 0.000 0.769 342 G HN 0.508 nan 8.290 nan 0.000 0.547 343 G N 0.318 108.955 108.800 -0.271 0.000 2.418 343 G HA2 -0.197 3.764 3.960 0.001 0.000 0.217 343 G HA3 -0.197 3.764 3.960 0.001 0.000 0.217 343 G C 2.077 176.691 174.900 -0.477 0.000 1.158 343 G CA 1.545 46.417 45.100 -0.379 0.000 0.771 343 G HN 0.492 nan 8.290 nan 0.000 0.545 344 S N 0.035 115.352 115.700 -0.638 0.000 2.368 344 S HA -0.050 4.420 4.470 0.001 0.000 0.225 344 S C 2.402 176.841 174.600 -0.268 0.000 1.030 344 S CA 1.081 58.960 58.200 -0.536 0.000 0.999 344 S CB -0.253 62.536 63.200 -0.684 0.000 0.844 344 S HN 0.372 nan 8.310 nan 0.000 0.459 345 I N 0.881 121.317 120.570 -0.223 0.000 2.163 345 I HA -0.136 4.034 4.170 0.001 0.000 0.240 345 I C 2.342 178.312 176.117 -0.246 0.000 1.081 345 I CA 0.949 62.151 61.300 -0.164 0.000 1.353 345 I CB -0.400 37.531 38.000 -0.115 0.000 1.054 345 I HN 0.322 nan 8.210 nan 0.000 0.407 346 L N 1.371 122.383 121.223 -0.351 0.000 1.989 346 L HA -0.200 4.141 4.340 0.001 0.000 0.211 346 L C 2.472 178.848 176.870 -0.823 0.000 1.071 346 L CA 2.336 56.812 54.840 -0.606 0.000 0.749 346 L CB -0.814 40.838 42.059 -0.679 0.000 0.890 346 L HN 0.212 nan 8.230 nan 0.000 0.431 347 A N -1.937 120.476 122.820 -0.679 0.000 2.121 347 A HA -0.103 4.217 4.320 0.001 0.000 0.218 347 A C 2.272 179.859 177.584 0.005 0.000 1.154 347 A CA 1.601 53.415 52.037 -0.371 0.000 0.679 347 A CB -0.648 18.324 19.000 -0.047 0.000 0.795 347 A HN 0.548 nan 8.150 nan 0.000 0.458 348 S N -0.538 115.118 115.700 -0.073 0.000 2.527 348 S HA 0.223 4.693 4.470 0.001 0.000 0.222 348 S C 0.546 175.154 174.600 0.013 0.000 0.985 348 S CA -0.153 58.055 58.200 0.012 0.000 0.921 348 S CB -0.247 62.944 63.200 -0.013 0.000 0.772 348 S HN 0.482 nan 8.310 nan 0.000 0.529 349 L N 2.364 123.567 121.223 -0.034 0.000 2.367 349 L HA 0.165 4.506 4.340 0.001 0.000 0.275 349 L C 1.714 178.612 176.870 0.048 0.000 1.129 349 L CA -0.476 54.352 54.840 -0.019 0.000 0.839 349 L CB 0.798 42.811 42.059 -0.077 0.000 1.133 349 L HN 0.229 nan 8.230 nan 0.000 0.453 350 S N 0.061 115.779 115.700 0.030 0.000 2.383 350 S HA -0.202 4.269 4.470 0.001 0.000 0.229 350 S C 1.706 176.324 174.600 0.030 0.000 1.030 350 S CA 1.478 59.702 58.200 0.040 0.000 1.002 350 S CB -0.709 62.504 63.200 0.021 0.000 0.829 350 S HN 0.862 nan 8.310 nan 0.000 0.467 351 T N -1.994 112.565 114.554 0.008 0.000 3.051 351 T HA 0.070 4.420 4.350 0.001 0.000 0.269 351 T C 1.214 175.913 174.700 -0.001 0.000 1.127 351 T CA 0.604 62.699 62.100 -0.009 0.000 1.107 351 T CB -0.653 68.194 68.868 -0.034 0.000 0.898 351 T HN 0.404 nan 8.240 nan 0.000 0.517 352 F N 1.742 121.586 119.950 -0.176 0.000 2.569 352 F HA 0.236 4.763 4.527 0.001 0.000 0.295 352 F C 2.186 177.824 175.800 -0.271 0.000 1.115 352 F CA 0.068 57.890 58.000 -0.298 0.000 1.450 352 F CB -0.141 38.607 39.000 -0.421 0.000 1.107 352 F HN -0.030 nan 8.300 nan 0.000 0.563 353 Q N 0.770 120.515 119.800 -0.092 0.000 2.226 353 Q HA -0.228 4.112 4.340 0.001 0.000 0.204 353 Q C 1.989 177.976 176.000 -0.022 0.000 0.975 353 Q CA 1.674 57.498 55.803 0.035 0.000 0.866 353 Q CB -0.784 28.053 28.738 0.164 0.000 0.915 353 Q HN 0.725 nan 8.270 nan 0.000 0.440 354 Q N -1.154 118.575 119.800 -0.117 0.000 2.432 354 Q HA 0.058 4.399 4.340 0.001 0.000 0.205 354 Q C 1.530 177.438 176.000 -0.154 0.000 0.945 354 Q CA 0.444 56.198 55.803 -0.081 0.000 0.924 354 Q CB -0.047 28.660 28.738 -0.050 0.000 1.016 354 Q HN 0.318 nan 8.270 nan 0.000 0.503 355 M N -0.650 118.696 119.600 -0.425 0.000 2.509 355 M HA 0.150 4.631 4.480 0.001 0.000 0.250 355 M C -0.362 175.704 176.300 -0.391 0.000 1.132 355 M CA 0.036 55.056 55.300 -0.466 0.000 1.080 355 M CB 0.133 32.296 32.600 -0.728 0.000 1.408 355 M HN 0.137 nan 8.290 nan 0.000 0.484 356 W N 1.693 122.726 121.300 -0.445 0.000 2.193 356 W HA 0.160 4.820 4.660 -0.000 0.000 0.338 356 W C -0.039 176.507 176.519 0.045 0.000 1.310 356 W CA -0.511 56.746 57.345 -0.147 0.000 1.243 356 W CB 0.171 29.571 29.460 -0.100 0.000 1.165 356 W HN -0.005 nan 8.180 nan 0.000 0.566 357 I N 3.710 124.555 120.570 0.459 0.000 2.452 357 I HA 0.065 4.235 4.170 0.001 0.000 0.287 357 I C 0.992 177.340 176.117 0.384 0.000 1.079 357 I CA -0.164 61.351 61.300 0.358 0.000 1.387 357 I CB 0.192 38.426 38.000 0.390 0.000 1.404 357 I HN 0.361 nan 8.210 nan 0.000 0.522 358 T N 1.886 116.564 114.554 0.207 0.000 2.902 358 T HA 0.253 4.604 4.350 0.001 0.000 0.280 358 T C 0.891 175.558 174.700 -0.055 0.000 0.992 358 T CA -0.845 61.336 62.100 0.135 0.000 1.015 358 T CB 1.846 70.748 68.868 0.056 0.000 1.044 358 T HN 0.503 nan 8.240 nan 0.000 0.520 359 K N 0.574 120.934 120.400 -0.067 0.000 2.097 359 K HA -0.121 4.200 4.320 0.001 0.000 0.206 359 K C 2.238 178.708 176.600 -0.218 0.000 1.049 359 K CA 1.590 57.674 56.287 -0.338 0.000 0.933 359 K CB -0.685 31.789 32.500 -0.044 0.000 0.717 359 K HN 0.658 nan 8.250 nan 0.000 0.442 360 Q N 0.667 120.407 119.800 -0.100 0.000 2.050 360 Q HA -0.122 4.219 4.340 0.001 0.000 0.202 360 Q C 1.991 177.941 176.000 -0.084 0.000 0.980 360 Q CA 2.128 57.889 55.803 -0.070 0.000 0.840 360 Q CB -0.144 28.570 28.738 -0.039 0.000 0.898 360 Q HN 0.478 nan 8.270 nan 0.000 0.424 361 E N -0.807 119.348 120.200 -0.075 0.000 2.085 361 E HA -0.230 4.121 4.350 0.001 0.000 0.194 361 E C 1.711 178.245 176.600 -0.110 0.000 0.994 361 E CA 1.138 57.499 56.400 -0.064 0.000 0.801 361 E CB -0.231 29.462 29.700 -0.012 0.000 0.743 361 E HN 0.401 nan 8.360 nan 0.000 0.453 362 Y N 2.066 122.157 120.300 -0.348 0.000 2.181 362 Y HA -0.220 4.330 4.550 0.001 0.000 0.288 362 Y C 1.712 177.449 175.900 -0.271 0.000 1.146 362 Y CA 1.684 59.533 58.100 -0.419 0.000 1.164 362 Y CB 0.015 37.866 38.460 -1.015 0.000 0.982 362 Y HN -0.053 nan 8.280 nan 0.000 0.515 363 D N 0.184 120.477 120.400 -0.179 0.000 2.178 363 D HA -0.165 4.476 4.640 0.001 0.000 0.201 363 D C 1.880 178.067 176.300 -0.189 0.000 0.980 363 D CA 1.671 55.574 54.000 -0.163 0.000 0.842 363 D CB -0.121 40.636 40.800 -0.071 0.000 0.948 363 D HN 0.592 nan 8.370 nan 0.000 0.472 364 E N -0.356 119.747 120.200 -0.162 0.000 2.112 364 E HA 0.067 4.417 4.350 0.001 0.000 0.190 364 E C 1.626 178.136 176.600 -0.150 0.000 0.979 364 E CA 0.838 57.162 56.400 -0.127 0.000 0.814 364 E CB 0.219 29.867 29.700 -0.086 0.000 0.762 364 E HN 0.175 nan 8.360 nan 0.000 0.460 365 A N 0.284 122.987 122.820 -0.195 0.000 2.287 365 A HA 0.468 4.789 4.320 0.001 0.000 0.214 365 A C 0.978 178.419 177.584 -0.238 0.000 1.228 365 A CA 0.577 52.513 52.037 -0.168 0.000 0.939 365 A CB 0.350 19.287 19.000 -0.104 0.000 0.992 365 A HN 0.263 nan 8.150 nan 0.000 0.502 366 G N -0.240 108.283 108.800 -0.461 0.000 2.796 366 G HA2 -0.163 3.798 3.960 0.001 0.000 0.226 366 G HA3 -0.163 3.798 3.960 0.001 0.000 0.226 366 G C -1.507 173.188 174.900 -0.342 0.000 1.381 366 G CA -0.200 44.541 45.100 -0.599 0.000 0.867 366 G HN 0.075 nan 8.290 nan 0.000 0.552 367 P HA -0.073 nan 4.420 nan 0.000 0.221 367 P C 2.110 179.421 177.300 0.019 0.000 1.145 367 P CA 2.216 65.410 63.100 0.158 0.000 0.795 367 P CB -0.188 31.613 31.700 0.168 0.000 0.775 368 S N -0.624 115.071 115.700 -0.008 0.000 2.440 368 S HA -0.191 4.280 4.470 0.001 0.000 0.238 368 S C 1.862 176.432 174.600 -0.050 0.000 1.010 368 S CA 0.832 59.043 58.200 0.018 0.000 0.972 368 S CB -1.641 61.605 63.200 0.077 0.000 0.774 368 S HN 0.109 nan 8.310 nan 0.000 0.501 369 I N 1.295 121.841 120.570 -0.040 0.000 2.423 369 I HA -0.112 4.059 4.170 0.001 0.000 0.254 369 I C 2.267 178.351 176.117 -0.054 0.000 1.151 369 I CA 0.744 62.035 61.300 -0.015 0.000 1.421 369 I CB -0.164 37.852 38.000 0.026 0.000 1.079 369 I HN 0.255 nan 8.210 nan 0.000 0.431 370 V N 1.401 121.213 119.914 -0.169 0.000 2.759 370 V HA -0.186 3.935 4.120 0.001 0.000 0.256 370 V C 1.362 177.305 176.094 -0.251 0.000 1.080 370 V CA 1.079 63.255 62.300 -0.206 0.000 1.101 370 V CB -0.807 30.890 31.823 -0.210 0.000 0.698 370 V HN 0.405 nan 8.190 nan 0.000 0.477 371 H N 0.000 119.078 119.070 0.013 0.000 2.539 371 H HA 0.000 4.557 4.556 0.001 0.000 0.296 371 H CA 0.000 56.043 56.048 -0.009 0.000 1.023 371 H CB 0.000 29.760 29.762 -0.003 0.000 1.292 371 H HN 0.000 nan 8.280 nan 0.000 0.496