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 2zru_1_B DATA FIRST_RESID 9 DATA SEQUENCE VEHVEIAAFE NVDGLSSSTF LNDVILVHQG FPGISFSEIN TKTKFFRKEI DATA SEQUENCE SVPVMVTGMT XXXNELGRIN KIIAEVAEKF GIPMGVGSQR VAIEKAEARE DATA SEQUENCE SFAIVRKVAP TIPIIANLGM PQLVKGYGLK EFQDAIQMIE ADAIAVHLNP DATA SEQUENCE AQEVFQPEGE PEYQIYALEK LRDISKELSV PIIVKESGNG ISMETAKLLY DATA SEQUENCE SYGIKNFDTS GQGGTNWIAI EMIRDIRRGN WKAESAKNFL DWGVPTAASI DATA SEQUENCE MEVRYSVPDS FLVGSGGIRS GLDAAKAIAL GADIAGMALP VLKSAIEGKE DATA SEQUENCE SLEQFFRKII FELKAAMMLT GSKDVDALKK TSIVILGKLK EWAEYRGINL DATA SEQUENCE SIYEKVRKR 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 9 V HA 0.000 nan 4.120 nan 0.000 0.244 9 V C 0.000 176.138 176.094 0.073 0.000 1.182 9 V CA 0.000 62.345 62.300 0.076 0.000 1.235 9 V CB 0.000 31.885 31.823 0.104 0.000 1.184 10 E N 2.210 122.435 120.200 0.042 0.000 2.114 10 E HA -0.272 4.079 4.350 0.001 0.000 0.199 10 E C 1.366 177.938 176.600 -0.048 0.000 1.008 10 E CA 2.564 58.945 56.400 -0.031 0.000 0.810 10 E CB 0.013 29.646 29.700 -0.112 0.000 0.739 10 E HN 0.889 nan 8.360 nan 0.000 0.456 11 H N -0.978 118.137 119.070 0.075 0.000 2.353 11 H HA -0.099 4.458 4.556 0.001 0.000 0.300 11 H C 2.137 177.463 175.328 -0.003 0.000 1.090 11 H CA 1.538 57.644 56.048 0.097 0.000 1.327 11 H CB 0.054 29.991 29.762 0.293 0.000 1.383 11 H HN 0.019 nan 8.280 nan 0.000 0.508 12 V N 0.657 120.646 119.914 0.125 0.000 2.358 12 V HA -0.247 3.874 4.120 0.001 0.000 0.246 12 V C 2.341 178.378 176.094 -0.096 0.000 1.047 12 V CA 2.086 64.385 62.300 -0.002 0.000 1.035 12 V CB -0.415 31.414 31.823 0.011 0.000 0.658 12 V HN 0.529 nan 8.190 nan 0.000 0.452 13 E N 0.279 120.472 120.200 -0.012 0.000 2.070 13 E HA -0.253 4.098 4.350 0.001 0.000 0.197 13 E C 2.160 178.765 176.600 0.008 0.000 1.004 13 E CA 2.116 58.553 56.400 0.062 0.000 0.805 13 E CB -0.210 29.553 29.700 0.105 0.000 0.744 13 E HN 0.626 nan 8.360 nan 0.000 0.451 14 I N 0.949 121.491 120.570 -0.047 0.000 2.202 14 I HA -0.204 3.966 4.170 0.001 0.000 0.242 14 I C 2.709 178.725 176.117 -0.167 0.000 1.091 14 I CA 0.915 62.165 61.300 -0.083 0.000 1.368 14 I CB -0.433 37.504 38.000 -0.105 0.000 1.058 14 I HN 0.200 nan 8.210 nan 0.000 0.410 15 A N 0.932 123.610 122.820 -0.238 0.000 1.883 15 A HA -0.212 4.108 4.320 0.001 0.000 0.217 15 A C 2.520 179.910 177.584 -0.322 0.000 1.186 15 A CA 2.186 54.037 52.037 -0.311 0.000 0.624 15 A CB -0.890 17.909 19.000 -0.334 0.000 0.822 15 A HN 0.448 nan 8.150 nan 0.000 0.444 16 A N -1.901 120.647 122.820 -0.454 0.000 1.929 16 A HA 0.192 4.513 4.320 0.001 0.000 0.216 16 A C 1.726 178.882 177.584 -0.713 0.000 1.176 16 A CA 1.398 52.979 52.037 -0.760 0.000 0.628 16 A CB -0.417 17.802 19.000 -1.302 0.000 0.816 16 A HN 0.564 nan 8.150 nan 0.000 0.444 17 F N -0.877 119.027 119.950 -0.076 0.000 2.767 17 F HA 0.247 4.774 4.527 0.001 0.000 0.323 17 F C 0.685 176.447 175.800 -0.064 0.000 1.091 17 F CA -0.557 57.405 58.000 -0.064 0.000 1.192 17 F CB 0.538 39.506 39.000 -0.053 0.000 1.056 17 F HN -0.021 nan 8.300 nan 0.000 0.571 18 E N 0.851 121.075 120.200 0.040 0.000 2.254 18 E HA 0.126 4.476 4.350 0.001 0.000 0.261 18 E C -0.744 175.834 176.600 -0.037 0.000 1.051 18 E CA -0.605 55.796 56.400 0.002 0.000 0.902 18 E CB 0.896 30.581 29.700 -0.025 0.000 1.168 18 E HN -0.137 nan 8.360 nan 0.000 0.423 19 N N 1.117 119.796 118.700 -0.034 0.000 2.807 19 N HA 0.041 4.781 4.740 0.001 0.000 0.259 19 N C 0.018 175.490 175.510 -0.064 0.000 1.149 19 N CA -0.027 52.998 53.050 -0.042 0.000 1.042 19 N CB -0.186 38.286 38.487 -0.026 0.000 1.367 19 N HN 0.280 nan 8.380 nan 0.000 0.516 20 V N -1.234 118.622 119.914 -0.095 0.000 3.432 20 V HA 0.344 4.465 4.120 0.001 0.000 0.298 20 V C 0.285 176.304 176.094 -0.126 0.000 1.464 20 V CA -0.475 61.752 62.300 -0.122 0.000 1.046 20 V CB -0.054 31.659 31.823 -0.183 0.000 0.887 20 V HN 0.233 nan 8.190 nan 0.000 0.441 21 D N 2.299 122.637 120.400 -0.104 0.000 2.374 21 D HA 0.480 5.120 4.640 0.001 0.000 0.240 21 D C 1.406 177.673 176.300 -0.055 0.000 1.229 21 D CA 1.205 55.151 54.000 -0.089 0.000 0.895 21 D CB 0.380 41.129 40.800 -0.084 0.000 1.046 21 D HN 0.662 nan 8.370 nan 0.000 0.498 22 G N 3.870 112.642 108.800 -0.046 0.000 2.160 22 G HA2 -0.253 3.708 3.960 0.001 0.000 0.251 22 G HA3 -0.253 3.708 3.960 0.001 0.000 0.251 22 G C 0.411 175.301 174.900 -0.017 0.000 1.008 22 G CA -0.041 45.045 45.100 -0.023 0.000 0.724 22 G HN 0.557 nan 8.290 nan 0.000 0.514 23 L N 0.938 122.144 121.223 -0.027 0.000 2.530 23 L HA 0.308 4.649 4.340 0.001 0.000 0.273 23 L C 1.231 178.098 176.870 -0.005 0.000 1.141 23 L CA 1.204 56.032 54.840 -0.020 0.000 0.905 23 L CB 0.071 42.110 42.059 -0.034 0.000 1.202 23 L HN 0.575 nan 8.230 nan 0.000 0.473 24 S N 1.526 117.228 115.700 0.003 0.000 3.445 24 S HA -0.184 4.287 4.470 0.001 0.000 0.319 24 S C 0.324 174.940 174.600 0.025 0.000 1.209 24 S CA 1.161 59.370 58.200 0.015 0.000 0.934 24 S CB -1.426 61.782 63.200 0.014 0.000 0.999 24 S HN 0.947 nan 8.310 nan 0.000 0.582 25 S N -0.868 114.845 115.700 0.021 0.000 2.709 25 S HA 0.884 5.355 4.470 0.001 0.000 0.302 25 S C -0.484 174.135 174.600 0.031 0.000 1.127 25 S CA -0.122 58.091 58.200 0.022 0.000 0.905 25 S CB 2.462 65.668 63.200 0.010 0.000 1.151 25 S HN 0.614 nan 8.310 nan 0.000 0.510 26 S N -0.403 115.313 115.700 0.026 0.000 2.543 26 S HA 0.473 4.944 4.470 0.001 0.000 0.271 26 S C 0.549 175.163 174.600 0.024 0.000 1.148 26 S CA -0.027 58.222 58.200 0.081 0.000 0.914 26 S CB 1.267 64.609 63.200 0.236 0.000 1.096 26 S HN 1.123 nan 8.310 nan 0.000 0.471 27 T N 1.357 115.936 114.554 0.041 0.000 3.055 27 T HA 0.185 4.536 4.350 0.001 0.000 0.265 27 T C 1.103 175.844 174.700 0.068 0.000 1.111 27 T CA 0.864 62.956 62.100 -0.013 0.000 1.118 27 T CB -0.870 67.999 68.868 0.003 0.000 0.909 27 T HN 0.890 nan 8.240 nan 0.000 0.501 28 F N -0.592 119.288 119.950 -0.116 0.000 2.871 28 F HA -0.255 4.273 4.527 0.001 0.000 0.326 28 F C 1.273 177.017 175.800 -0.093 0.000 0.675 28 F CA -0.052 57.876 58.000 -0.120 0.000 1.188 28 F CB -1.826 37.059 39.000 -0.192 0.000 1.567 28 F HN 0.196 nan 8.300 nan 0.000 0.325 29 L N -0.202 121.075 121.223 0.090 0.000 2.275 29 L HA -0.183 4.158 4.340 0.001 0.000 0.215 29 L C 1.871 178.747 176.870 0.010 0.000 1.119 29 L CA 1.175 56.036 54.840 0.034 0.000 0.790 29 L CB -0.442 41.629 42.059 0.021 0.000 0.919 29 L HN 0.207 nan 8.230 nan 0.000 0.443 30 N N -0.055 118.645 118.700 0.001 0.000 2.453 30 N HA -0.150 4.591 4.740 0.001 0.000 0.183 30 N C 1.067 176.549 175.510 -0.047 0.000 1.041 30 N CA 0.943 53.978 53.050 -0.024 0.000 0.900 30 N CB -0.178 38.290 38.487 -0.031 0.000 0.961 30 N HN 0.286 nan 8.380 nan 0.000 0.443 31 D N -0.321 120.038 120.400 -0.068 0.000 2.349 31 D HA 0.042 4.683 4.640 0.001 0.000 0.224 31 D C -0.167 176.108 176.300 -0.042 0.000 1.029 31 D CA 0.232 54.181 54.000 -0.085 0.000 0.879 31 D CB 0.549 41.256 40.800 -0.156 0.000 0.906 31 D HN -0.032 nan 8.370 nan 0.000 0.528 32 V N 2.039 121.941 119.914 -0.019 0.000 2.370 32 V HA 0.323 4.444 4.120 0.001 0.000 0.279 32 V C 0.258 176.353 176.094 0.002 0.000 1.029 32 V CA -0.611 61.688 62.300 -0.002 0.000 0.870 32 V CB 1.763 33.592 31.823 0.009 0.000 0.984 32 V HN -0.100 nan 8.190 nan 0.000 0.451 33 I N 5.781 126.356 120.570 0.007 0.000 2.378 33 I HA 0.412 4.583 4.170 0.001 0.000 0.291 33 I C -0.367 175.763 176.117 0.022 0.000 0.992 33 I CA -0.511 60.796 61.300 0.012 0.000 1.154 33 I CB 1.728 39.734 38.000 0.010 0.000 1.315 33 I HN 0.354 nan 8.210 nan 0.000 0.448 34 L N 6.573 127.811 121.223 0.024 0.000 2.313 34 L HA 0.323 4.664 4.340 0.001 0.000 0.282 34 L C -0.115 176.782 176.870 0.045 0.000 1.092 34 L CA -0.782 54.076 54.840 0.030 0.000 0.831 34 L CB 0.926 42.999 42.059 0.025 0.000 1.159 34 L HN 0.307 nan 8.230 nan 0.000 0.442 35 V N 2.692 122.632 119.914 0.043 0.000 2.479 35 V HA -0.041 4.080 4.120 0.001 0.000 0.281 35 V C 0.359 176.496 176.094 0.073 0.000 1.031 35 V CA -0.302 62.032 62.300 0.056 0.000 1.038 35 V CB 0.384 32.230 31.823 0.038 0.000 0.981 35 V HN 0.613 nan 8.190 nan 0.000 0.478 36 H N 5.574 124.650 119.070 0.010 0.000 2.886 36 H HA 0.216 4.773 4.556 0.001 0.000 0.329 36 H C -0.117 175.223 175.328 0.020 0.000 1.044 36 H CA 0.143 56.198 56.048 0.011 0.000 1.456 36 H CB 0.599 30.366 29.762 0.010 0.000 1.464 36 H HN 0.551 nan 8.280 nan 0.000 0.573 37 Q N 4.243 123.705 119.800 -0.564 0.000 2.425 37 Q HA 0.218 4.559 4.340 0.001 0.000 0.254 37 Q C 1.117 176.773 176.000 -0.573 0.000 1.032 37 Q CA 0.085 55.642 55.803 -0.410 0.000 0.798 37 Q CB 1.605 30.240 28.738 -0.172 0.000 1.210 37 Q HN 1.080 nan 8.270 nan 0.000 0.491 38 G N 1.556 110.103 108.800 -0.421 0.000 2.470 38 G HA2 -0.187 3.774 3.960 0.001 0.000 0.220 38 G HA3 -0.187 3.774 3.960 0.001 0.000 0.220 38 G C 0.159 175.063 174.900 0.007 0.000 1.121 38 G CA 0.274 45.287 45.100 -0.144 0.000 0.766 38 G HN 0.454 nan 8.290 nan 0.000 0.553 39 F N 1.585 121.481 119.950 -0.090 0.000 2.307 39 F HA 0.472 5.000 4.527 0.002 0.000 0.369 39 F C -1.535 174.231 175.800 -0.057 0.000 1.076 39 F CA -2.496 55.475 58.000 -0.048 0.000 1.149 39 F CB 2.057 41.041 39.000 -0.027 0.000 1.410 39 F HN -0.104 nan 8.300 nan 0.000 0.481 40 P HA 0.094 nan 4.420 nan 0.000 0.221 40 P C 1.117 178.324 177.300 -0.156 0.000 1.150 40 P CA 1.597 64.577 63.100 -0.199 0.000 0.800 40 P CB 0.205 31.792 31.700 -0.187 0.000 0.787 41 G N -0.288 108.309 108.800 -0.337 0.000 2.157 41 G HA2 -0.210 3.751 3.960 0.001 0.000 0.248 41 G HA3 -0.210 3.751 3.960 0.001 0.000 0.248 41 G C 0.149 175.014 174.900 -0.059 0.000 0.979 41 G CA 0.291 45.371 45.100 -0.032 0.000 0.650 41 G HN 0.551 nan 8.290 nan 0.000 0.529 42 I N -2.539 117.952 120.570 -0.133 0.000 3.191 42 I HA 0.869 5.039 4.170 0.001 0.000 0.313 42 I C 0.003 176.076 176.117 -0.073 0.000 1.193 42 I CA -0.733 60.523 61.300 -0.074 0.000 0.968 42 I CB 2.010 39.974 38.000 -0.060 0.000 1.262 42 I HN 0.358 nan 8.210 nan 0.000 0.456 43 S N 1.268 116.952 115.700 -0.026 0.000 2.638 43 S HA 0.461 4.932 4.470 0.001 0.000 0.298 43 S C 0.386 175.025 174.600 0.064 0.000 1.111 43 S CA -0.589 57.624 58.200 0.022 0.000 1.027 43 S CB 1.711 64.931 63.200 0.033 0.000 1.064 43 S HN 0.760 nan 8.310 nan 0.000 0.525 44 F N 2.294 122.231 119.950 -0.021 0.000 2.171 44 F HA -0.108 4.419 4.527 0.001 0.000 0.300 44 F C 2.645 178.450 175.800 0.009 0.000 1.090 44 F CA 2.078 60.077 58.000 -0.003 0.000 1.293 44 F CB -0.376 38.636 39.000 0.020 0.000 1.013 44 F HN 0.769 nan 8.300 nan 0.000 0.486 45 S N -0.253 115.549 115.700 0.169 0.000 2.481 45 S HA -0.218 4.253 4.470 0.001 0.000 0.231 45 S C 1.665 176.261 174.600 -0.006 0.000 0.996 45 S CA 0.937 59.190 58.200 0.089 0.000 0.942 45 S CB -0.817 62.449 63.200 0.109 0.000 0.768 45 S HN 0.777 nan 8.310 nan 0.000 0.520 46 E N 0.818 121.001 120.200 -0.029 0.000 2.478 46 E HA 0.142 4.493 4.350 0.001 0.000 0.194 46 E C 0.199 176.748 176.600 -0.085 0.000 1.045 46 E CA -0.308 56.065 56.400 -0.044 0.000 0.868 46 E CB -0.302 29.383 29.700 -0.026 0.000 0.885 46 E HN 0.572 nan 8.360 nan 0.000 0.505 47 I N 2.874 123.348 120.570 -0.160 0.000 2.668 47 I HA -0.053 4.117 4.170 0.001 0.000 0.285 47 I C 0.024 176.056 176.117 -0.141 0.000 1.168 47 I CA -0.035 61.149 61.300 -0.193 0.000 1.424 47 I CB 0.124 37.911 38.000 -0.356 0.000 1.377 47 I HN 0.109 nan 8.210 nan 0.000 0.560 48 N N 4.501 123.143 118.700 -0.096 0.000 2.443 48 N HA 0.200 4.941 4.740 0.001 0.000 0.269 48 N C 0.336 175.813 175.510 -0.054 0.000 0.985 48 N CA -0.641 52.372 53.050 -0.062 0.000 0.921 48 N CB 1.284 39.747 38.487 -0.040 0.000 1.195 48 N HN 0.606 nan 8.380 nan 0.000 0.492 49 T N -0.420 114.107 114.554 -0.045 0.000 3.105 49 T HA 0.238 4.589 4.350 0.001 0.000 0.253 49 T C 0.421 175.117 174.700 -0.006 0.000 1.047 49 T CA -0.052 62.031 62.100 -0.029 0.000 0.944 49 T CB -0.172 68.680 68.868 -0.027 0.000 1.016 49 T HN 0.305 nan 8.240 nan 0.000 0.544 50 K N 1.431 121.829 120.400 -0.004 0.000 2.355 50 K HA 0.450 4.771 4.320 0.001 0.000 0.270 50 K C -0.061 176.550 176.600 0.018 0.000 1.003 50 K CA 0.053 56.345 56.287 0.008 0.000 0.957 50 K CB 0.835 33.338 32.500 0.004 0.000 0.939 50 K HN 0.156 nan 8.250 nan 0.000 0.482 51 T N 0.901 115.475 114.554 0.034 0.000 2.762 51 T HA 0.266 4.617 4.350 0.001 0.000 0.301 51 T C -1.589 173.144 174.700 0.055 0.000 1.299 51 T CA -0.945 61.182 62.100 0.046 0.000 1.005 51 T CB 1.000 69.907 68.868 0.066 0.000 1.377 51 T HN 0.443 nan 8.240 nan 0.000 0.504 52 K N 1.075 121.496 120.400 0.036 0.000 2.174 52 K HA 0.551 4.872 4.320 0.001 0.000 0.275 52 K C -1.265 175.334 176.600 -0.002 0.000 1.015 52 K CA -0.432 55.855 56.287 -0.001 0.000 0.933 52 K CB 0.936 33.394 32.500 -0.070 0.000 1.025 52 K HN 0.409 nan 8.250 nan 0.000 0.463 53 F N 4.358 124.200 119.950 -0.180 0.000 2.646 53 F HA 0.232 4.760 4.527 0.002 0.000 0.364 53 F C -0.209 175.414 175.800 -0.295 0.000 1.137 53 F CA -0.575 57.226 58.000 -0.330 0.000 1.085 53 F CB -0.053 38.895 39.000 -0.087 0.000 1.331 53 F HN 0.756 nan 8.300 nan 0.000 0.472 54 F N 1.480 121.111 119.950 -0.530 0.000 2.958 54 F HA -0.451 4.077 4.527 0.001 0.000 0.240 54 F C 1.757 177.474 175.800 -0.138 0.000 1.487 54 F CA 1.412 59.206 58.000 -0.342 0.000 1.873 54 F CB -0.759 38.080 39.000 -0.268 0.000 0.531 54 F HN 0.373 nan 8.300 nan 0.000 0.277 55 R N 1.065 121.670 120.500 0.175 0.000 2.310 55 R HA 0.154 4.495 4.340 0.001 0.000 0.202 55 R C -0.293 176.055 176.300 0.080 0.000 0.933 55 R CA 0.485 56.638 56.100 0.088 0.000 1.054 55 R CB 0.040 30.381 30.300 0.069 0.000 0.985 55 R HN 0.284 nan 8.270 nan 0.000 0.489 56 K N 0.061 120.530 120.400 0.115 0.000 2.295 56 K HA 0.221 4.542 4.320 0.001 0.000 0.239 56 K C -0.741 175.909 176.600 0.083 0.000 0.991 56 K CA -0.696 55.650 56.287 0.098 0.000 0.845 56 K CB 2.024 34.597 32.500 0.123 0.000 1.197 56 K HN -0.105 nan 8.250 nan 0.000 0.441 57 E N 2.250 122.484 120.200 0.058 0.000 2.191 57 E HA 0.365 4.716 4.350 0.001 0.000 0.274 57 E C -0.929 175.698 176.600 0.044 0.000 0.948 57 E CA -0.674 55.755 56.400 0.047 0.000 0.802 57 E CB 0.956 30.672 29.700 0.027 0.000 1.137 57 E HN 0.492 nan 8.360 nan 0.000 0.397 58 I N 0.095 120.693 120.570 0.047 0.000 2.910 58 I HA 0.427 4.598 4.170 0.001 0.000 0.310 58 I C 0.386 176.512 176.117 0.016 0.000 1.043 58 I CA -0.810 60.502 61.300 0.020 0.000 1.053 58 I CB 2.162 40.168 38.000 0.010 0.000 1.242 58 I HN 0.299 nan 8.210 nan 0.000 0.452 59 S N 1.433 117.135 115.700 0.003 0.000 2.478 59 S HA 0.259 4.730 4.470 0.001 0.000 0.222 59 S C 0.385 174.994 174.600 0.014 0.000 1.008 59 S CA 0.142 58.347 58.200 0.009 0.000 0.928 59 S CB 0.149 63.355 63.200 0.010 0.000 0.781 59 S HN 0.453 nan 8.310 nan 0.000 0.518 60 V N 2.698 122.618 119.914 0.011 0.000 2.932 60 V HA 0.350 4.471 4.120 0.001 0.000 0.307 60 V C -2.646 173.460 176.094 0.021 0.000 1.147 60 V CA -1.860 60.447 62.300 0.012 0.000 0.951 60 V CB 2.395 34.221 31.823 0.005 0.000 1.031 60 V HN -0.058 nan 8.190 nan 0.000 0.426 61 P HA 0.268 nan 4.420 nan 0.000 0.218 61 P C -0.810 176.528 177.300 0.063 0.000 1.793 61 P CA 0.055 63.194 63.100 0.065 0.000 0.941 61 P CB 0.300 32.033 31.700 0.056 0.000 1.919 62 V N 2.843 122.786 119.914 0.049 0.000 2.851 62 V HA 0.508 4.629 4.120 0.001 0.000 0.307 62 V C 0.112 176.222 176.094 0.027 0.000 1.129 62 V CA -0.750 61.582 62.300 0.053 0.000 0.932 62 V CB 2.491 34.345 31.823 0.051 0.000 1.024 62 V HN 0.292 nan 8.190 nan 0.000 0.426 63 M N 3.179 122.815 119.600 0.060 0.000 2.591 63 M HA 0.887 5.368 4.480 0.001 0.000 0.306 63 M C -1.441 174.916 176.300 0.094 0.000 1.190 63 M CA -0.772 54.541 55.300 0.022 0.000 0.889 63 M CB 2.233 34.848 32.600 0.025 0.000 1.728 63 M HN 0.252 nan 8.290 nan 0.000 0.458 64 V N 2.166 122.136 119.914 0.093 0.000 2.498 64 V HA 0.379 4.500 4.120 0.001 0.000 0.279 64 V C 0.699 176.860 176.094 0.112 0.000 1.048 64 V CA -0.296 62.090 62.300 0.143 0.000 0.967 64 V CB 0.918 32.846 31.823 0.174 0.000 0.988 64 V HN 1.025 nan 8.190 nan 0.000 0.473 65 T N 2.158 116.782 114.554 0.117 0.000 2.902 65 T HA 0.593 4.943 4.350 0.001 0.000 0.280 65 T C 0.552 175.315 174.700 0.104 0.000 0.992 65 T CA -0.145 62.025 62.100 0.117 0.000 1.015 65 T CB 1.462 70.402 68.868 0.120 0.000 1.044 65 T HN 0.944 nan 8.240 nan 0.000 0.520 66 G N 1.013 109.876 108.800 0.106 0.000 2.380 66 G HA2 0.489 4.450 3.960 0.001 0.000 0.242 66 G HA3 0.489 4.450 3.960 0.001 0.000 0.242 66 G C -0.567 174.378 174.900 0.076 0.000 1.298 66 G CA -0.574 44.584 45.100 0.096 0.000 0.878 66 G HN 0.781 nan 8.290 nan 0.000 0.542 67 M N 1.497 121.143 119.600 0.076 0.000 2.271 67 M HA 0.234 4.715 4.480 0.001 0.000 0.285 67 M C 0.019 176.357 176.300 0.063 0.000 1.059 67 M CA -0.598 54.743 55.300 0.068 0.000 0.940 67 M CB 2.616 35.248 32.600 0.053 0.000 1.636 67 M HN 0.583 nan 8.290 nan 0.000 0.460 73 E N 2.071 122.259 120.200 -0.021 0.000 2.285 73 E HA -0.029 4.322 4.350 0.001 0.000 0.194 73 E C 1.307 177.888 176.600 -0.030 0.000 0.997 73 E CA 0.942 57.332 56.400 -0.016 0.000 0.845 73 E CB 0.138 29.839 29.700 0.001 0.000 0.782 73 E HN 0.401 nan 8.360 nan 0.000 0.491 74 L N 0.773 121.966 121.223 -0.049 0.000 2.418 74 L HA 0.203 4.544 4.340 0.001 0.000 0.218 74 L C 2.461 179.253 176.870 -0.131 0.000 1.125 74 L CA 1.148 55.942 54.840 -0.075 0.000 0.835 74 L CB -0.167 41.849 42.059 -0.072 0.000 0.953 74 L HN 0.208 nan 8.230 nan 0.000 0.454 75 G N 0.616 109.334 108.800 -0.135 0.000 2.494 75 G HA2 -0.161 3.799 3.960 0.001 0.000 0.216 75 G HA3 -0.161 3.799 3.960 0.001 0.000 0.216 75 G C 1.762 176.609 174.900 -0.087 0.000 1.140 75 G CA 0.558 45.566 45.100 -0.154 0.000 0.801 75 G HN 0.449 nan 8.290 nan 0.000 0.536 76 R N 0.195 120.662 120.500 -0.055 0.000 2.119 76 R HA 0.296 4.637 4.340 0.001 0.000 0.222 76 R C 2.099 178.385 176.300 -0.023 0.000 1.088 76 R CA 0.775 56.858 56.100 -0.029 0.000 0.984 76 R CB -0.726 29.564 30.300 -0.016 0.000 0.884 76 R HN 0.341 nan 8.270 nan 0.000 0.447 77 I N 1.318 121.869 120.570 -0.032 0.000 2.252 77 I HA -0.204 3.966 4.170 0.001 0.000 0.245 77 I C 1.448 177.552 176.117 -0.022 0.000 1.102 77 I CA 1.199 62.483 61.300 -0.027 0.000 1.385 77 I CB -0.361 37.617 38.000 -0.035 0.000 1.064 77 I HN 0.225 nan 8.210 nan 0.000 0.414 78 N N 0.947 119.621 118.700 -0.043 0.000 2.104 78 N HA -0.239 4.502 4.740 0.001 0.000 0.190 78 N C 1.748 177.255 175.510 -0.005 0.000 1.024 78 N CA 1.287 54.317 53.050 -0.034 0.000 0.853 78 N CB -0.251 38.179 38.487 -0.095 0.000 1.008 78 N HN 0.296 nan 8.380 nan 0.000 0.424 79 K N 0.575 120.968 120.400 -0.012 0.000 2.026 79 K HA -0.038 4.283 4.320 0.001 0.000 0.208 79 K C 1.997 178.615 176.600 0.031 0.000 1.048 79 K CA 0.941 57.233 56.287 0.009 0.000 0.929 79 K CB -0.153 32.348 32.500 0.002 0.000 0.713 79 K HN 0.092 nan 8.250 nan 0.000 0.439 80 I N 1.139 121.726 120.570 0.029 0.000 2.127 80 I HA -0.322 3.849 4.170 0.001 0.000 0.241 80 I C 2.285 178.451 176.117 0.082 0.000 1.075 80 I CA 1.371 62.701 61.300 0.050 0.000 1.334 80 I CB -0.241 37.779 38.000 0.034 0.000 1.040 80 I HN 0.200 nan 8.210 nan 0.000 0.405 81 I N 0.651 121.266 120.570 0.074 0.000 2.208 81 I HA -0.311 3.860 4.170 0.001 0.000 0.245 81 I C 2.759 178.955 176.117 0.132 0.000 1.097 81 I CA 1.446 62.818 61.300 0.120 0.000 1.363 81 I CB -0.547 37.508 38.000 0.091 0.000 1.051 81 I HN 0.217 nan 8.210 nan 0.000 0.413 82 A N 1.251 124.123 122.820 0.087 0.000 1.898 82 A HA -0.207 4.114 4.320 0.001 0.000 0.216 82 A C 2.190 179.821 177.584 0.078 0.000 1.181 82 A CA 1.701 53.782 52.037 0.074 0.000 0.620 82 A CB -0.634 18.399 19.000 0.055 0.000 0.819 82 A HN 0.616 nan 8.150 nan 0.000 0.442 83 E N -0.191 120.058 120.200 0.082 0.000 2.150 83 E HA -0.085 4.266 4.350 0.001 0.000 0.193 83 E C 1.664 178.338 176.600 0.123 0.000 0.985 83 E CA 1.272 57.722 56.400 0.082 0.000 0.814 83 E CB -0.456 29.284 29.700 0.066 0.000 0.752 83 E HN 0.329 nan 8.360 nan 0.000 0.466 84 V N 1.746 121.773 119.914 0.187 0.000 2.407 84 V HA -0.171 3.949 4.120 0.001 0.000 0.245 84 V C 2.552 178.825 176.094 0.298 0.000 1.041 84 V CA 1.599 64.091 62.300 0.320 0.000 1.040 84 V CB -0.610 31.471 31.823 0.429 0.000 0.671 84 V HN 0.422 nan 8.190 nan 0.000 0.455 85 A N 0.304 123.220 122.820 0.159 0.000 1.908 85 A HA -0.301 4.019 4.320 0.001 0.000 0.218 85 A C 2.179 179.774 177.584 0.018 0.000 1.181 85 A CA 2.300 54.335 52.037 -0.004 0.000 0.627 85 A CB -0.543 18.452 19.000 -0.009 0.000 0.818 85 A HN 0.586 nan 8.150 nan 0.000 0.445 86 E N 0.263 120.487 120.200 0.041 0.000 2.058 86 E HA -0.231 4.120 4.350 0.001 0.000 0.194 86 E C 1.992 178.593 176.600 0.003 0.000 0.997 86 E CA 2.017 58.428 56.400 0.018 0.000 0.801 86 E CB -0.281 29.433 29.700 0.024 0.000 0.746 86 E HN 0.598 nan 8.360 nan 0.000 0.450 87 K N -1.047 119.363 120.400 0.017 0.000 2.044 87 K HA -0.164 4.157 4.320 0.001 0.000 0.210 87 K C 1.647 178.112 176.600 -0.224 0.000 1.049 87 K CA 1.715 57.946 56.287 -0.093 0.000 0.927 87 K CB -0.310 32.145 32.500 -0.076 0.000 0.713 87 K HN 0.198 nan 8.250 nan 0.000 0.443 88 F N -0.159 119.739 119.950 -0.087 0.000 2.789 88 F HA 0.195 4.723 4.527 0.002 0.000 0.300 88 F C 1.327 177.048 175.800 -0.131 0.000 1.132 88 F CA 0.728 58.651 58.000 -0.128 0.000 1.404 88 F CB 0.581 39.431 39.000 -0.251 0.000 1.114 88 F HN 0.308 nan 8.300 nan 0.000 0.584 89 G N 1.993 110.797 108.800 0.007 0.000 2.198 89 G HA2 -0.292 3.669 3.960 0.001 0.000 0.257 89 G HA3 -0.292 3.669 3.960 0.001 0.000 0.257 89 G C 0.231 175.102 174.900 -0.049 0.000 1.042 89 G CA 0.347 45.434 45.100 -0.022 0.000 0.791 89 G HN 0.493 nan 8.290 nan 0.000 0.502 90 I N -2.074 118.441 120.570 -0.092 0.000 2.412 90 I HA 0.717 4.888 4.170 0.001 0.000 0.296 90 I C -2.106 173.908 176.117 -0.173 0.000 0.987 90 I CA -3.142 58.065 61.300 -0.154 0.000 1.180 90 I CB 2.103 39.948 38.000 -0.259 0.000 1.340 90 I HN -0.114 nan 8.210 nan 0.000 0.455 91 P HA 0.199 nan 4.420 nan 0.000 0.272 91 P C -0.980 176.212 177.300 -0.180 0.000 1.230 91 P CA -0.330 62.572 63.100 -0.331 0.000 0.788 91 P CB 1.022 32.217 31.700 -0.841 0.000 0.949 92 M N 1.203 120.740 119.600 -0.105 0.000 2.267 92 M HA 0.547 5.027 4.480 0.001 0.000 0.289 92 M C -0.741 175.583 176.300 0.040 0.000 1.043 92 M CA -0.449 54.848 55.300 -0.004 0.000 0.928 92 M CB 2.072 34.689 32.600 0.028 0.000 1.613 92 M HN 0.428 nan 8.290 nan 0.000 0.450 93 G N 3.372 112.220 108.800 0.080 0.000 2.377 93 G HA2 0.569 4.529 3.960 0.001 0.000 0.299 93 G HA3 0.569 4.529 3.960 0.001 0.000 0.299 93 G C -0.389 174.582 174.900 0.118 0.000 1.150 93 G CA -0.604 44.565 45.100 0.115 0.000 0.847 93 G HN 0.807 nan 8.290 nan 0.000 0.501 94 V N 0.741 120.739 119.914 0.141 0.000 3.134 94 V HA 0.893 5.013 4.120 0.001 0.000 0.313 94 V C 1.066 177.270 176.094 0.184 0.000 1.069 94 V CA -0.217 62.196 62.300 0.188 0.000 1.048 94 V CB 0.888 32.900 31.823 0.315 0.000 1.119 94 V HN 0.919 nan 8.190 nan 0.000 0.461 95 G N 0.543 109.471 108.800 0.214 0.000 2.611 95 G HA2 0.327 4.287 3.960 0.001 0.000 0.273 95 G HA3 0.327 4.287 3.960 0.001 0.000 0.273 95 G C 0.219 175.246 174.900 0.212 0.000 1.305 95 G CA 0.124 45.329 45.100 0.175 0.000 1.010 95 G HN 1.292 nan 8.290 nan 0.000 0.509 96 S N -1.224 114.556 115.700 0.133 0.000 2.546 96 S HA -0.012 4.459 4.470 0.001 0.000 0.290 96 S C 1.154 175.791 174.600 0.062 0.000 1.290 96 S CA 0.122 58.379 58.200 0.096 0.000 1.069 96 S CB 0.426 63.685 63.200 0.098 0.000 0.846 96 S HN 0.544 nan 8.310 nan 0.000 0.495 97 Q N 3.228 122.936 119.800 -0.155 0.000 2.320 97 Q HA 0.112 4.452 4.340 0.001 0.000 0.201 97 Q C 2.084 177.973 176.000 -0.186 0.000 0.910 97 Q CA -0.340 55.200 55.803 -0.439 0.000 0.946 97 Q CB 0.115 28.475 28.738 -0.630 0.000 1.062 97 Q HN 0.596 nan 8.270 nan 0.000 0.503 98 R N 0.714 121.182 120.500 -0.052 0.000 2.136 98 R HA -0.202 4.138 4.340 0.001 0.000 0.242 98 R C 2.045 178.395 176.300 0.082 0.000 1.131 98 R CA 1.857 57.981 56.100 0.041 0.000 0.937 98 R CB -0.773 29.519 30.300 -0.014 0.000 0.863 98 R HN 0.307 nan 8.270 nan 0.000 0.435 99 V N 0.758 120.724 119.914 0.086 0.000 2.594 99 V HA -0.157 3.964 4.120 0.001 0.000 0.253 99 V C 2.173 178.329 176.094 0.103 0.000 1.069 99 V CA 2.118 64.482 62.300 0.107 0.000 1.082 99 V CB -0.351 31.552 31.823 0.133 0.000 0.680 99 V HN 0.500 nan 8.190 nan 0.000 0.469 100 A N -0.412 122.457 122.820 0.081 0.000 2.021 100 A HA 0.078 4.399 4.320 0.001 0.000 0.216 100 A C 2.007 179.579 177.584 -0.020 0.000 1.163 100 A CA 1.072 53.136 52.037 0.046 0.000 0.676 100 A CB -0.337 18.639 19.000 -0.040 0.000 0.818 100 A HN 0.471 nan 8.150 nan 0.000 0.453 101 I N 0.502 121.050 120.570 -0.036 0.000 2.202 101 I HA -0.186 3.985 4.170 0.001 0.000 0.242 101 I C 2.161 178.258 176.117 -0.034 0.000 1.091 101 I CA 1.517 62.787 61.300 -0.051 0.000 1.368 101 I CB -1.528 36.443 38.000 -0.049 0.000 1.058 101 I HN 0.444 nan 8.210 nan 0.000 0.410 102 E N 0.444 120.654 120.200 0.017 0.000 2.216 102 E HA -0.038 4.313 4.350 0.001 0.000 0.192 102 E C 0.326 176.938 176.600 0.020 0.000 0.988 102 E CA 0.674 57.086 56.400 0.020 0.000 0.834 102 E CB 0.213 29.947 29.700 0.056 0.000 0.772 102 E HN 0.399 nan 8.360 nan 0.000 0.479 103 K N -0.211 120.208 120.400 0.033 0.000 2.545 103 K HA 0.407 4.728 4.320 0.001 0.000 0.252 103 K C -0.143 176.481 176.600 0.039 0.000 0.948 103 K CA -0.269 56.039 56.287 0.036 0.000 0.827 103 K CB 1.923 34.452 32.500 0.048 0.000 1.128 103 K HN -0.087 nan 8.250 nan 0.000 0.429 104 A N 2.841 125.678 122.820 0.027 0.000 2.076 104 A HA -0.173 4.148 4.320 0.001 0.000 0.220 104 A C 1.304 178.915 177.584 0.044 0.000 1.160 104 A CA 1.486 53.540 52.037 0.029 0.000 0.653 104 A CB -0.273 18.737 19.000 0.017 0.000 0.801 104 A HN 0.774 nan 8.150 nan 0.000 0.455 105 E N -0.026 120.201 120.200 0.045 0.000 2.358 105 E HA 0.203 4.553 4.350 0.001 0.000 0.195 105 E C 1.730 178.371 176.600 0.067 0.000 1.010 105 E CA 0.807 57.236 56.400 0.047 0.000 0.856 105 E CB -0.310 29.412 29.700 0.037 0.000 0.795 105 E HN 0.552 nan 8.360 nan 0.000 0.504 106 A N 0.774 123.652 122.820 0.096 0.000 2.178 106 A HA 0.043 4.364 4.320 0.001 0.000 0.211 106 A C 1.836 179.569 177.584 0.247 0.000 1.157 106 A CA 0.200 52.327 52.037 0.151 0.000 0.780 106 A CB -0.115 18.996 19.000 0.186 0.000 0.828 106 A HN 0.027 nan 8.150 nan 0.000 0.476 107 R N 0.601 121.215 120.500 0.190 0.000 2.091 107 R HA -0.174 4.166 4.340 0.001 0.000 0.238 107 R C 2.038 178.468 176.300 0.216 0.000 1.136 107 R CA 1.631 57.859 56.100 0.213 0.000 0.959 107 R CB -0.237 30.126 30.300 0.104 0.000 0.856 107 R HN 0.748 nan 8.270 nan 0.000 0.437 108 E N 0.509 120.781 120.200 0.120 0.000 2.058 108 E HA -0.201 4.150 4.350 0.001 0.000 0.194 108 E C 1.734 178.353 176.600 0.033 0.000 0.997 108 E CA 1.734 58.176 56.400 0.070 0.000 0.801 108 E CB -0.608 29.114 29.700 0.036 0.000 0.746 108 E HN 0.312 nan 8.360 nan 0.000 0.450 109 S N -0.273 115.404 115.700 -0.038 0.000 2.584 109 S HA -0.071 4.400 4.470 0.001 0.000 0.240 109 S C 1.419 175.761 174.600 -0.429 0.000 0.975 109 S CA 0.539 58.603 58.200 -0.227 0.000 0.949 109 S CB -0.509 62.507 63.200 -0.307 0.000 0.761 109 S HN 0.263 nan 8.310 nan 0.000 0.536 110 F N 0.510 120.471 119.950 0.018 0.000 2.592 110 F HA 0.524 5.052 4.527 0.001 0.000 0.280 110 F C 2.589 178.399 175.800 0.018 0.000 1.083 110 F CA 0.058 58.069 58.000 0.018 0.000 1.365 110 F CB -0.655 38.355 39.000 0.016 0.000 1.100 110 F HN 0.240 nan 8.300 nan 0.000 0.633 111 A N 0.336 123.273 122.820 0.195 0.000 2.019 111 A HA -0.164 4.157 4.320 0.001 0.000 0.219 111 A C 2.071 179.698 177.584 0.072 0.000 1.164 111 A CA 1.393 53.498 52.037 0.113 0.000 0.644 111 A CB -0.917 18.136 19.000 0.088 0.000 0.805 111 A HN 0.326 nan 8.150 nan 0.000 0.449 112 I N -0.192 120.408 120.570 0.051 0.000 2.264 112 I HA -0.191 3.980 4.170 0.001 0.000 0.248 112 I C 2.253 178.392 176.117 0.036 0.000 1.111 112 I CA 1.173 62.491 61.300 0.030 0.000 1.382 112 I CB -0.349 37.654 38.000 0.006 0.000 1.060 112 I HN 0.120 nan 8.210 nan 0.000 0.418 113 V N 0.658 120.601 119.914 0.050 0.000 2.278 113 V HA -0.349 3.771 4.120 0.001 0.000 0.251 113 V C 2.707 178.833 176.094 0.054 0.000 1.062 113 V CA 2.383 64.718 62.300 0.058 0.000 1.038 113 V CB -0.789 31.089 31.823 0.092 0.000 0.646 113 V HN 0.399 nan 8.190 nan 0.000 0.447 114 R N -0.260 120.274 120.500 0.056 0.000 2.210 114 R HA 0.041 4.382 4.340 0.001 0.000 0.203 114 R C 2.113 178.435 176.300 0.036 0.000 1.010 114 R CA 1.000 57.127 56.100 0.046 0.000 1.008 114 R CB -0.300 30.028 30.300 0.047 0.000 0.923 114 R HN 0.482 nan 8.270 nan 0.000 0.469 115 K N -0.987 119.434 120.400 0.034 0.000 2.057 115 K HA -0.034 4.287 4.320 0.001 0.000 0.206 115 K C 1.588 178.203 176.600 0.025 0.000 1.050 115 K CA 1.368 57.672 56.287 0.027 0.000 0.935 115 K CB -0.067 32.448 32.500 0.025 0.000 0.715 115 K HN 0.008 nan 8.250 nan 0.000 0.439 116 V N 0.057 119.988 119.914 0.028 0.000 3.354 116 V HA 0.125 4.245 4.120 0.001 0.000 0.258 116 V C 0.119 176.231 176.094 0.030 0.000 1.159 116 V CA 0.615 62.932 62.300 0.028 0.000 1.125 116 V CB 0.640 32.481 31.823 0.031 0.000 0.774 116 V HN 0.240 nan 8.190 nan 0.000 0.464 117 A N 0.696 123.534 122.820 0.031 0.000 3.317 117 A HA 0.552 4.873 4.320 0.001 0.000 0.307 117 A C -1.677 175.922 177.584 0.024 0.000 1.003 117 A CA -0.659 51.395 52.037 0.027 0.000 0.882 117 A CB 0.442 19.460 19.000 0.032 0.000 1.136 117 A HN 0.287 nan 8.150 nan 0.000 0.488 118 P HA -0.081 nan 4.420 nan 0.000 0.229 118 P C 1.155 178.467 177.300 0.019 0.000 1.160 118 P CA 1.774 64.886 63.100 0.020 0.000 0.777 118 P CB 0.234 31.943 31.700 0.016 0.000 0.814 119 T N -3.099 111.464 114.554 0.014 0.000 2.999 119 T HA 0.166 4.516 4.350 0.001 0.000 0.247 119 T C 1.238 175.946 174.700 0.013 0.000 1.012 119 T CA -0.247 61.861 62.100 0.013 0.000 1.048 119 T CB -0.958 67.914 68.868 0.007 0.000 1.020 119 T HN 0.073 nan 8.240 nan 0.000 0.478 120 I N 0.975 121.547 120.570 0.003 0.000 2.938 120 I HA 0.427 4.598 4.170 0.001 0.000 0.285 120 I C -2.800 173.314 176.117 -0.006 0.000 1.182 120 I CA -2.417 58.874 61.300 -0.015 0.000 1.388 120 I CB -0.226 37.752 38.000 -0.038 0.000 1.390 120 I HN -0.150 nan 8.210 nan 0.000 0.600 121 P HA 0.212 nan 4.420 nan 0.000 0.268 121 P C -0.755 176.533 177.300 -0.020 0.000 1.204 121 P CA 0.207 63.311 63.100 0.008 0.000 0.768 121 P CB 0.445 32.118 31.700 -0.045 0.000 0.842 122 I N 4.648 125.251 120.570 0.054 0.000 2.465 122 I HA 0.350 4.521 4.170 0.001 0.000 0.291 122 I C -0.175 176.008 176.117 0.110 0.000 1.014 122 I CA -0.732 60.605 61.300 0.062 0.000 1.093 122 I CB 1.827 39.864 38.000 0.062 0.000 1.267 122 I HN 0.157 nan 8.210 nan 0.000 0.431 123 I N 4.974 125.618 120.570 0.123 0.000 2.354 123 I HA 0.417 4.587 4.170 0.001 0.000 0.286 123 I C 0.836 177.018 176.117 0.108 0.000 1.007 123 I CA -0.616 60.779 61.300 0.160 0.000 1.167 123 I CB 0.938 39.079 38.000 0.236 0.000 1.320 123 I HN 0.562 nan 8.210 nan 0.000 0.458 124 A N 6.410 129.268 122.820 0.065 0.000 2.455 124 A HA 0.224 4.545 4.320 0.001 0.000 0.244 124 A C 0.372 177.957 177.584 0.001 0.000 1.099 124 A CA 0.051 52.090 52.037 0.004 0.000 0.786 124 A CB 0.243 19.213 19.000 -0.051 0.000 1.051 124 A HN 0.875 nan 8.150 nan 0.000 0.508 125 N N -0.125 118.537 118.700 -0.064 0.000 2.503 125 N HA 0.480 5.220 4.740 0.001 0.000 0.287 125 N C -1.938 173.486 175.510 -0.143 0.000 1.096 125 N CA -0.262 52.768 53.050 -0.034 0.000 0.936 125 N CB 0.965 39.493 38.487 0.069 0.000 1.570 125 N HN 0.575 nan 8.380 nan 0.000 0.504 126 L N 1.075 122.150 121.223 -0.246 0.000 2.350 126 L HA 0.662 5.003 4.340 0.001 0.000 0.260 126 L C 0.864 177.428 176.870 -0.509 0.000 1.015 126 L CA -1.060 53.547 54.840 -0.390 0.000 0.821 126 L CB 2.087 43.746 42.059 -0.667 0.000 1.370 126 L HN 0.492 nan 8.230 nan 0.000 0.416 127 G N 0.042 108.448 108.800 -0.657 0.000 2.420 127 G HA2 0.360 4.321 3.960 0.001 0.000 0.284 127 G HA3 0.360 4.321 3.960 0.001 0.000 0.284 127 G C 0.457 175.036 174.900 -0.534 0.000 1.177 127 G CA -0.489 43.986 45.100 -1.043 0.000 0.841 127 G HN 0.638 nan 8.290 nan 0.000 0.527 128 M N 2.471 121.825 119.600 -0.410 0.000 2.144 128 M HA -0.021 4.459 4.480 0.001 0.000 0.260 128 M C -0.350 175.743 176.300 -0.345 0.000 1.067 128 M CA 1.586 56.742 55.300 -0.241 0.000 1.095 128 M CB -0.837 31.714 32.600 -0.082 0.000 1.365 128 M HN 0.365 nan 8.290 nan 0.000 0.406 129 P HA -0.166 nan 4.420 nan 0.000 0.216 129 P C 1.291 178.420 177.300 -0.285 0.000 1.153 129 P CA 1.226 64.124 63.100 -0.338 0.000 0.858 129 P CB -0.165 31.397 31.700 -0.230 0.000 0.789 130 Q N -0.880 118.692 119.800 -0.379 0.000 2.124 130 Q HA -0.087 4.254 4.340 0.001 0.000 0.202 130 Q C 2.204 178.062 176.000 -0.237 0.000 0.977 130 Q CA 1.230 56.705 55.803 -0.546 0.000 0.850 130 Q CB -1.262 26.757 28.738 -1.198 0.000 0.901 130 Q HN 0.322 nan 8.270 nan 0.000 0.429 131 L N -0.652 120.495 121.223 -0.125 0.000 2.156 131 L HA -0.100 4.241 4.340 0.001 0.000 0.208 131 L C 2.059 178.939 176.870 0.018 0.000 1.095 131 L CA 0.428 55.279 54.840 0.020 0.000 0.770 131 L CB -0.102 41.958 42.059 0.002 0.000 0.914 131 L HN 0.054 nan 8.230 nan 0.000 0.439 132 V N -0.222 119.663 119.914 -0.047 0.000 2.427 132 V HA -0.249 3.872 4.120 0.001 0.000 0.248 132 V C 1.532 177.668 176.094 0.070 0.000 1.051 132 V CA 1.545 63.852 62.300 0.011 0.000 1.048 132 V CB -0.396 31.333 31.823 -0.156 0.000 0.666 132 V HN 0.369 nan 8.190 nan 0.000 0.456 133 K N 0.287 120.702 120.400 0.025 0.000 2.862 133 K HA 0.346 4.667 4.320 0.001 0.000 0.229 133 K C 1.076 177.765 176.600 0.149 0.000 1.107 133 K CA 0.526 56.850 56.287 0.061 0.000 1.222 133 K CB -0.030 32.483 32.500 0.021 0.000 1.067 133 K HN 0.470 nan 8.250 nan 0.000 0.464 134 G N 0.972 109.882 108.800 0.183 0.000 2.249 134 G HA2 -0.300 3.661 3.960 0.001 0.000 0.273 134 G HA3 -0.300 3.661 3.960 0.001 0.000 0.273 134 G C -0.335 174.703 174.900 0.230 0.000 1.036 134 G CA -0.054 45.154 45.100 0.180 0.000 0.824 134 G HN 0.295 nan 8.290 nan 0.000 0.504 135 Y N 0.059 120.389 120.300 0.050 0.000 2.336 135 Y HA 0.507 5.057 4.550 0.001 0.000 0.331 135 Y C 1.263 177.214 175.900 0.085 0.000 1.211 135 Y CA 0.595 58.746 58.100 0.085 0.000 1.346 135 Y CB 1.392 39.932 38.460 0.132 0.000 1.271 135 Y HN 0.338 nan 8.280 nan 0.000 0.538 136 G N 0.761 109.671 108.800 0.183 0.000 3.085 136 G HA2 0.286 4.247 3.960 0.001 0.000 0.264 136 G HA3 0.286 4.247 3.960 0.001 0.000 0.264 136 G C -0.050 174.876 174.900 0.044 0.000 1.206 136 G CA -0.576 44.548 45.100 0.039 0.000 0.809 136 G HN 0.586 nan 8.290 nan 0.000 0.592 137 L N 0.572 121.765 121.223 -0.050 0.000 2.012 137 L HA 0.072 4.412 4.340 0.001 0.000 0.210 137 L C 2.691 179.594 176.870 0.055 0.000 1.073 137 L CA 2.818 57.637 54.840 -0.036 0.000 0.748 137 L CB -0.384 41.636 42.059 -0.066 0.000 0.891 137 L HN 0.635 nan 8.230 nan 0.000 0.431 138 K N -0.779 119.633 120.400 0.019 0.000 2.057 138 K HA -0.234 4.087 4.320 0.001 0.000 0.207 138 K C 1.932 178.539 176.600 0.012 0.000 1.049 138 K CA 1.789 58.078 56.287 0.004 0.000 0.931 138 K CB -0.034 32.447 32.500 -0.031 0.000 0.714 138 K HN 0.357 nan 8.250 nan 0.000 0.440 139 E N 0.017 120.222 120.200 0.010 0.000 2.077 139 E HA -0.148 4.203 4.350 0.001 0.000 0.193 139 E C 1.693 178.330 176.600 0.062 0.000 0.989 139 E CA 1.568 57.940 56.400 -0.046 0.000 0.800 139 E CB -0.235 29.328 29.700 -0.227 0.000 0.746 139 E HN 0.288 nan 8.360 nan 0.000 0.452 140 F N 1.172 121.116 119.950 -0.010 0.000 2.102 140 F HA -0.229 4.299 4.527 0.001 0.000 0.298 140 F C 2.473 178.255 175.800 -0.030 0.000 1.105 140 F CA 1.407 59.403 58.000 -0.007 0.000 1.239 140 F CB -0.167 38.826 39.000 -0.013 0.000 0.991 140 F HN 0.016 nan 8.300 nan 0.000 0.474 141 Q N -0.139 119.754 119.800 0.155 0.000 2.135 141 Q HA -0.234 4.106 4.340 0.001 0.000 0.204 141 Q C 1.654 177.663 176.000 0.015 0.000 0.981 141 Q CA 1.711 57.550 55.803 0.060 0.000 0.856 141 Q CB -0.260 28.498 28.738 0.034 0.000 0.902 141 Q HN 0.371 nan 8.270 nan 0.000 0.425 142 D N -0.026 120.371 120.400 -0.004 0.000 2.183 142 D HA -0.060 4.580 4.640 0.001 0.000 0.203 142 D C 1.710 177.971 176.300 -0.064 0.000 0.969 142 D CA 1.114 55.092 54.000 -0.036 0.000 0.842 142 D CB -0.118 40.649 40.800 -0.055 0.000 0.957 142 D HN 0.248 nan 8.370 nan 0.000 0.484 143 A N 0.602 123.368 122.820 -0.090 0.000 1.898 143 A HA -0.114 4.207 4.320 0.001 0.000 0.216 143 A C 2.331 179.852 177.584 -0.104 0.000 1.181 143 A CA 0.814 52.761 52.037 -0.151 0.000 0.620 143 A CB -0.647 18.222 19.000 -0.218 0.000 0.819 143 A HN 0.174 nan 8.150 nan 0.000 0.442 144 I N -0.638 119.898 120.570 -0.055 0.000 2.179 144 I HA -0.265 3.906 4.170 0.001 0.000 0.242 144 I C 2.817 178.927 176.117 -0.011 0.000 1.088 144 I CA 1.655 62.942 61.300 -0.021 0.000 1.357 144 I CB -0.265 37.737 38.000 0.005 0.000 1.051 144 I HN 0.450 nan 8.210 nan 0.000 0.409 145 Q N 1.108 120.901 119.800 -0.012 0.000 2.167 145 Q HA -0.241 4.100 4.340 0.001 0.000 0.202 145 Q C 2.230 178.230 176.000 -0.001 0.000 0.970 145 Q CA 1.622 57.422 55.803 -0.004 0.000 0.855 145 Q CB -0.198 28.537 28.738 -0.005 0.000 0.911 145 Q HN 0.532 nan 8.270 nan 0.000 0.438 146 M N 0.625 120.217 119.600 -0.014 0.000 2.267 146 M HA -0.145 4.336 4.480 0.001 0.000 0.263 146 M C 1.464 177.783 176.300 0.032 0.000 1.063 146 M CA 1.639 56.938 55.300 -0.002 0.000 1.090 146 M CB 0.032 32.604 32.600 -0.047 0.000 1.392 146 M HN 0.342 nan 8.290 nan 0.000 0.422 147 I N -3.544 117.043 120.570 0.029 0.000 4.160 147 I HA 0.316 4.487 4.170 0.001 0.000 0.325 147 I C -0.764 175.379 176.117 0.044 0.000 1.455 147 I CA -0.450 60.884 61.300 0.056 0.000 1.142 147 I CB -0.205 37.844 38.000 0.082 0.000 1.262 147 I HN 0.149 nan 8.210 nan 0.000 0.483 148 E N 2.188 122.406 120.200 0.030 0.000 2.183 148 E HA -0.208 4.142 4.350 0.001 0.000 0.196 148 E C 0.517 177.137 176.600 0.033 0.000 1.364 148 E CA 0.329 56.745 56.400 0.026 0.000 0.700 148 E CB -0.931 28.785 29.700 0.027 0.000 1.106 148 E HN 0.725 nan 8.360 nan 0.000 0.347 149 A N 1.157 123.996 122.820 0.031 0.000 2.407 149 A HA 0.077 4.397 4.320 0.001 0.000 0.248 149 A C 0.949 178.559 177.584 0.043 0.000 1.082 149 A CA -0.096 51.967 52.037 0.043 0.000 0.785 149 A CB 0.434 19.455 19.000 0.034 0.000 1.020 149 A HN 0.315 nan 8.150 nan 0.000 0.489 150 D N 0.131 120.576 120.400 0.076 0.000 2.354 150 D HA 0.369 5.010 4.640 0.001 0.000 0.209 150 D C 0.541 176.850 176.300 0.015 0.000 1.015 150 D CA 1.444 55.492 54.000 0.081 0.000 0.867 150 D CB 0.485 41.389 40.800 0.174 0.000 0.933 150 D HN 0.718 nan 8.370 nan 0.000 0.520 151 A N 0.270 123.111 122.820 0.036 0.000 2.540 151 A HA 0.621 4.941 4.320 0.001 0.000 0.291 151 A C -1.873 175.731 177.584 0.033 0.000 1.083 151 A CA -0.668 51.336 52.037 -0.056 0.000 0.650 151 A CB 1.194 20.108 19.000 -0.143 0.000 1.292 151 A HN 0.054 nan 8.150 nan 0.000 0.435 152 I N 0.043 120.630 120.570 0.028 0.000 2.498 152 I HA 0.727 4.898 4.170 0.001 0.000 0.290 152 I C -0.010 176.159 176.117 0.087 0.000 1.032 152 I CA -0.659 60.672 61.300 0.053 0.000 1.073 152 I CB 1.737 39.765 38.000 0.047 0.000 1.251 152 I HN 1.059 nan 8.210 nan 0.000 0.426 153 A N 6.944 129.820 122.820 0.092 0.000 2.301 153 A HA 0.706 5.027 4.320 0.001 0.000 0.312 153 A C -1.045 176.582 177.584 0.070 0.000 1.182 153 A CA -0.454 51.653 52.037 0.117 0.000 0.826 153 A CB 1.150 20.246 19.000 0.159 0.000 1.134 153 A HN 0.489 nan 8.150 nan 0.000 0.501 154 V N 5.477 125.441 119.914 0.084 0.000 2.357 154 V HA 0.289 4.410 4.120 0.001 0.000 0.284 154 V C 0.087 176.211 176.094 0.050 0.000 1.018 154 V CA -0.623 61.691 62.300 0.022 0.000 0.841 154 V CB 0.883 32.760 31.823 0.090 0.000 0.991 154 V HN 1.013 nan 8.190 nan 0.000 0.437 155 H N 5.204 124.291 119.070 0.029 0.000 2.487 155 H HA 0.665 5.222 4.556 0.001 0.000 0.333 155 H C -1.238 174.130 175.328 0.068 0.000 1.114 155 H CA -0.976 55.093 56.048 0.035 0.000 1.310 155 H CB 1.631 31.384 29.762 -0.015 0.000 1.462 155 H HN 0.455 nan 8.280 nan 0.000 0.516 156 L N 3.409 124.782 121.223 0.250 0.000 2.296 156 L HA 0.200 4.541 4.340 0.001 0.000 0.286 156 L C 0.148 177.125 176.870 0.178 0.000 1.023 156 L CA -0.770 54.215 54.840 0.242 0.000 0.812 156 L CB 1.097 43.254 42.059 0.163 0.000 1.223 156 L HN 0.751 nan 8.230 nan 0.000 0.421 157 N N 2.769 121.585 118.700 0.193 0.000 2.628 157 N HA 0.126 4.867 4.740 0.001 0.000 0.299 157 N C -2.361 173.170 175.510 0.035 0.000 1.834 157 N CA -1.192 51.887 53.050 0.048 0.000 0.871 157 N CB 0.529 38.967 38.487 -0.083 0.000 1.377 157 N HN 0.235 nan 8.380 nan 0.000 0.493 158 P HA -0.091 nan 4.420 nan 0.000 0.218 158 P C 1.377 178.630 177.300 -0.077 0.000 1.149 158 P CA 1.371 64.372 63.100 -0.165 0.000 0.817 158 P CB 0.296 31.700 31.700 -0.494 0.000 0.785 159 A N 0.495 123.310 122.820 -0.008 0.000 1.877 159 A HA -0.232 4.089 4.320 0.001 0.000 0.216 159 A C 2.529 180.211 177.584 0.164 0.000 1.186 159 A CA 1.793 53.876 52.037 0.078 0.000 0.620 159 A CB -1.587 17.534 19.000 0.202 0.000 0.822 159 A HN 0.208 nan 8.150 nan 0.000 0.443 160 Q N -0.381 119.490 119.800 0.118 0.000 2.084 160 Q HA -0.226 4.115 4.340 0.001 0.000 0.202 160 Q C 1.894 177.933 176.000 0.066 0.000 0.978 160 Q CA 1.820 57.696 55.803 0.122 0.000 0.844 160 Q CB -0.175 28.529 28.738 -0.057 0.000 0.898 160 Q HN 0.782 nan 8.270 nan 0.000 0.426 161 E N -0.502 119.701 120.200 0.005 0.000 2.153 161 E HA -0.150 4.200 4.350 0.001 0.000 0.194 161 E C 2.048 178.592 176.600 -0.094 0.000 0.988 161 E CA 1.171 57.561 56.400 -0.018 0.000 0.811 161 E CB 0.145 29.862 29.700 0.028 0.000 0.746 161 E HN 0.204 nan 8.360 nan 0.000 0.466 162 V N 0.253 120.049 119.914 -0.197 0.000 2.358 162 V HA -0.203 3.918 4.120 0.001 0.000 0.246 162 V C 1.497 177.241 176.094 -0.584 0.000 1.047 162 V CA 1.568 63.583 62.300 -0.475 0.000 1.035 162 V CB -0.276 31.080 31.823 -0.778 0.000 0.658 162 V HN 0.207 nan 8.190 nan 0.000 0.452 163 F N -0.023 119.832 119.950 -0.158 0.000 2.749 163 F HA 0.192 4.719 4.527 0.001 0.000 0.300 163 F C 1.431 177.170 175.800 -0.103 0.000 1.103 163 F CA -0.521 57.386 58.000 -0.155 0.000 1.342 163 F CB -0.213 38.706 39.000 -0.135 0.000 1.098 163 F HN 0.265 nan 8.300 nan 0.000 0.586 164 Q N 1.361 121.199 119.800 0.062 0.000 2.352 164 Q HA 0.147 4.488 4.340 0.001 0.000 0.260 164 Q C -2.145 173.843 176.000 -0.020 0.000 0.976 164 Q CA -1.718 54.120 55.803 0.057 0.000 0.881 164 Q CB 0.566 29.352 28.738 0.079 0.000 1.235 164 Q HN -0.026 nan 8.270 nan 0.000 0.419 165 P HA -0.249 nan 4.420 nan 0.000 0.215 165 P C -0.167 177.094 177.300 -0.064 0.000 1.163 165 P CA 1.775 64.833 63.100 -0.070 0.000 0.894 165 P CB 0.008 31.681 31.700 -0.046 0.000 0.791 166 E N 0.618 120.800 120.200 -0.030 0.000 2.151 166 E HA 0.485 4.835 4.350 0.001 0.000 0.275 166 E C 0.388 176.973 176.600 -0.026 0.000 0.936 166 E CA -0.676 55.709 56.400 -0.024 0.000 0.777 166 E CB 0.994 30.691 29.700 -0.005 0.000 1.108 166 E HN 0.259 nan 8.360 nan 0.000 0.401 167 G N 2.836 111.615 108.800 -0.035 0.000 2.712 167 G HA2 -0.027 3.934 3.960 0.001 0.000 0.683 167 G HA3 -0.027 3.934 3.960 0.001 0.000 0.683 167 G C -1.204 173.664 174.900 -0.053 0.000 1.320 167 G CA -0.267 44.812 45.100 -0.036 0.000 0.847 167 G HN 1.003 nan 8.290 nan 0.000 0.553 168 E N -0.698 119.473 120.200 -0.047 0.000 2.388 168 E HA 0.561 4.912 4.350 0.001 0.000 0.289 168 E C -2.987 173.597 176.600 -0.026 0.000 0.944 168 E CA -1.829 54.537 56.400 -0.057 0.000 0.792 168 E CB 2.352 32.013 29.700 -0.067 0.000 1.239 168 E HN 0.578 nan 8.360 nan 0.000 0.412 169 P HA 0.087 nan 4.420 nan 0.000 0.271 169 P C -0.917 176.445 177.300 0.103 0.000 1.218 169 P CA -0.001 63.161 63.100 0.104 0.000 0.780 169 P CB 0.713 32.528 31.700 0.191 0.000 0.901 170 E N 1.465 121.698 120.200 0.055 0.000 2.241 170 E HA 0.285 4.635 4.350 0.001 0.000 0.263 170 E C -1.254 175.288 176.600 -0.097 0.000 0.882 170 E CA -0.355 56.050 56.400 0.009 0.000 0.769 170 E CB 1.318 30.977 29.700 -0.067 0.000 1.185 170 E HN 0.422 nan 8.360 nan 0.000 0.415 171 Y N 1.509 121.804 120.300 -0.009 0.000 2.555 171 Y HA 0.167 4.718 4.550 0.001 0.000 0.317 171 Y C -0.277 175.629 175.900 0.010 0.000 0.928 171 Y CA -0.630 57.471 58.100 0.001 0.000 1.116 171 Y CB 0.868 39.330 38.460 0.004 0.000 1.169 171 Y HN 0.428 nan 8.280 nan 0.000 0.627 172 Q N 0.750 120.602 119.800 0.087 0.000 2.354 172 Q HA 0.225 4.566 4.340 0.001 0.000 0.244 172 Q C 1.734 177.783 176.000 0.083 0.000 0.969 172 Q CA -0.157 55.694 55.803 0.080 0.000 0.885 172 Q CB 1.148 29.912 28.738 0.044 0.000 1.241 172 Q HN 0.690 nan 8.270 nan 0.000 0.461 173 I N -1.130 119.479 120.570 0.066 0.000 2.700 173 I HA -0.220 3.951 4.170 0.001 0.000 0.261 173 I C 1.646 177.761 176.117 -0.004 0.000 1.219 173 I CA 1.067 62.362 61.300 -0.008 0.000 1.463 173 I CB -0.405 37.610 38.000 0.024 0.000 1.092 173 I HN 0.718 nan 8.210 nan 0.000 0.452 174 Y N 2.930 123.194 120.300 -0.060 0.000 2.241 174 Y HA -0.251 4.300 4.550 0.001 0.000 0.286 174 Y C 2.492 178.340 175.900 -0.088 0.000 1.166 174 Y CA 1.466 59.534 58.100 -0.054 0.000 1.203 174 Y CB -0.426 38.014 38.460 -0.033 0.000 0.977 174 Y HN 0.208 nan 8.280 nan 0.000 0.529 175 A N 0.505 123.335 122.820 0.016 0.000 1.969 175 A HA -0.082 4.239 4.320 0.001 0.000 0.218 175 A C 2.292 179.740 177.584 -0.226 0.000 1.169 175 A CA 1.601 53.559 52.037 -0.131 0.000 0.635 175 A CB -0.910 18.063 19.000 -0.044 0.000 0.810 175 A HN 0.579 nan 8.150 nan 0.000 0.445 176 L N -0.978 120.075 121.223 -0.284 0.000 2.179 176 L HA -0.120 4.221 4.340 0.001 0.000 0.208 176 L C 2.470 179.113 176.870 -0.377 0.000 1.096 176 L CA 1.146 55.712 54.840 -0.455 0.000 0.779 176 L CB -0.575 40.937 42.059 -0.912 0.000 0.922 176 L HN 0.486 nan 8.230 nan 0.000 0.443 177 E N 0.437 120.478 120.200 -0.265 0.000 2.085 177 E HA -0.244 4.107 4.350 0.001 0.000 0.194 177 E C 2.127 178.623 176.600 -0.173 0.000 0.994 177 E CA 1.214 57.574 56.400 -0.067 0.000 0.801 177 E CB 0.018 29.697 29.700 -0.034 0.000 0.743 177 E HN 0.392 nan 8.360 nan 0.000 0.453 178 K N 0.757 120.962 120.400 -0.324 0.000 2.009 178 K HA -0.133 4.188 4.320 0.001 0.000 0.210 178 K C 2.279 178.706 176.600 -0.287 0.000 1.049 178 K CA 0.916 56.997 56.287 -0.343 0.000 0.929 178 K CB -0.238 32.001 32.500 -0.436 0.000 0.714 178 K HN 0.118 nan 8.250 nan 0.000 0.440 179 L N 1.151 122.216 121.223 -0.263 0.000 2.012 179 L HA -0.255 4.086 4.340 0.001 0.000 0.210 179 L C 2.810 179.570 176.870 -0.182 0.000 1.073 179 L CA 1.440 56.130 54.840 -0.250 0.000 0.748 179 L CB -0.317 41.648 42.059 -0.157 0.000 0.891 179 L HN 0.277 nan 8.230 nan 0.000 0.431 180 R N -0.057 120.389 120.500 -0.090 0.000 2.091 180 R HA -0.212 4.129 4.340 0.001 0.000 0.238 180 R C 1.759 178.008 176.300 -0.085 0.000 1.136 180 R CA 2.124 58.205 56.100 -0.032 0.000 0.959 180 R CB -0.320 30.037 30.300 0.094 0.000 0.856 180 R HN 0.424 nan 8.270 nan 0.000 0.437 181 D N 0.615 120.946 120.400 -0.114 0.000 2.097 181 D HA -0.133 4.508 4.640 0.001 0.000 0.195 181 D C 2.026 178.234 176.300 -0.153 0.000 0.989 181 D CA 1.311 55.238 54.000 -0.122 0.000 0.827 181 D CB -0.272 40.449 40.800 -0.131 0.000 0.966 181 D HN 0.307 nan 8.370 nan 0.000 0.456 182 I N 1.187 121.619 120.570 -0.229 0.000 2.194 182 I HA -0.304 3.867 4.170 0.001 0.000 0.246 182 I C 2.459 178.450 176.117 -0.210 0.000 1.093 182 I CA 1.459 62.587 61.300 -0.287 0.000 1.355 182 I CB -0.369 37.290 38.000 -0.568 0.000 1.046 182 I HN 0.026 nan 8.210 nan 0.000 0.413 183 S N 0.508 116.099 115.700 -0.182 0.000 2.447 183 S HA -0.121 4.350 4.470 0.001 0.000 0.233 183 S C 1.868 176.411 174.600 -0.096 0.000 1.006 183 S CA 0.719 58.844 58.200 -0.126 0.000 0.957 183 S CB -0.203 62.935 63.200 -0.103 0.000 0.773 183 S HN 0.341 nan 8.310 nan 0.000 0.507 184 K N 0.792 121.137 120.400 -0.092 0.000 2.418 184 K HA 0.170 4.490 4.320 0.001 0.000 0.195 184 K C 1.198 177.758 176.600 -0.066 0.000 1.035 184 K CA 0.616 56.859 56.287 -0.073 0.000 1.003 184 K CB 0.018 32.477 32.500 -0.067 0.000 0.793 184 K HN 0.629 nan 8.250 nan 0.000 0.494 185 E N 0.069 120.225 120.200 -0.073 0.000 2.562 185 E HA 0.073 4.423 4.350 0.001 0.000 0.214 185 E C -0.291 176.277 176.600 -0.052 0.000 0.979 185 E CA -0.218 56.146 56.400 -0.060 0.000 1.002 185 E CB 0.523 30.186 29.700 -0.063 0.000 1.048 185 E HN -0.035 nan 8.360 nan 0.000 0.488 186 L N 1.407 122.595 121.223 -0.058 0.000 2.418 186 L HA 0.042 4.382 4.340 0.001 0.000 0.265 186 L C 1.471 178.315 176.870 -0.042 0.000 1.143 186 L CA 0.482 55.298 54.840 -0.039 0.000 0.809 186 L CB 1.372 43.409 42.059 -0.037 0.000 1.124 186 L HN -0.081 nan 8.230 nan 0.000 0.456 187 S N 1.142 116.823 115.700 -0.032 0.000 2.496 187 S HA 0.124 4.595 4.470 0.001 0.000 0.224 187 S C 0.286 174.850 174.600 -0.059 0.000 0.996 187 S CA 0.326 58.503 58.200 -0.038 0.000 0.927 187 S CB -0.446 62.739 63.200 -0.024 0.000 0.774 187 S HN 0.471 nan 8.310 nan 0.000 0.524 188 V N -2.800 117.068 119.914 -0.076 0.000 3.007 188 V HA 0.726 4.847 4.120 0.001 0.000 0.311 188 V C -3.314 172.667 176.094 -0.190 0.000 1.120 188 V CA -2.930 59.289 62.300 -0.135 0.000 0.980 188 V CB 1.155 32.915 31.823 -0.105 0.000 1.033 188 V HN -0.105 nan 8.190 nan 0.000 0.429 189 P HA 0.469 nan 4.420 nan 0.000 0.272 189 P C -0.716 176.427 177.300 -0.260 0.000 1.230 189 P CA -0.025 62.835 63.100 -0.400 0.000 0.788 189 P CB 0.437 31.610 31.700 -0.879 0.000 0.949 190 I N 1.740 122.228 120.570 -0.138 0.000 2.377 190 I HA 0.349 4.520 4.170 0.001 0.000 0.293 190 I C 0.133 176.251 176.117 0.003 0.000 0.987 190 I CA -0.560 60.722 61.300 -0.029 0.000 1.185 190 I CB 0.939 38.939 38.000 0.001 0.000 1.341 190 I HN 0.104 nan 8.210 nan 0.000 0.455 191 I N 6.410 127.025 120.570 0.075 0.000 2.378 191 I HA 0.337 4.508 4.170 0.001 0.000 0.291 191 I C -0.547 175.622 176.117 0.087 0.000 0.992 191 I CA -0.822 60.543 61.300 0.108 0.000 1.154 191 I CB 1.818 39.956 38.000 0.231 0.000 1.315 191 I HN 0.154 nan 8.210 nan 0.000 0.448 192 V N 6.989 126.930 119.914 0.044 0.000 2.370 192 V HA 0.372 4.493 4.120 0.001 0.000 0.279 192 V C 0.023 176.240 176.094 0.205 0.000 1.029 192 V CA -0.595 61.783 62.300 0.130 0.000 0.870 192 V CB 1.231 33.147 31.823 0.155 0.000 0.984 192 V HN 0.757 nan 8.190 nan 0.000 0.451 193 K N 3.523 124.039 120.400 0.193 0.000 2.328 193 K HA 0.710 5.030 4.320 0.001 0.000 0.246 193 K C -0.500 176.207 176.600 0.178 0.000 0.955 193 K CA -0.873 55.528 56.287 0.190 0.000 0.817 193 K CB 2.722 35.326 32.500 0.173 0.000 1.208 193 K HN 0.388 nan 8.250 nan 0.000 0.432 194 E N 0.544 120.833 120.200 0.148 0.000 3.188 194 E HA 0.262 4.613 4.350 0.001 0.000 0.262 194 E C -0.437 176.224 176.600 0.100 0.000 1.341 194 E CA -0.390 56.083 56.400 0.122 0.000 1.140 194 E CB 1.258 31.019 29.700 0.101 0.000 1.306 194 E HN 0.699 nan 8.360 nan 0.000 0.694 195 S N -0.783 114.963 115.700 0.077 0.000 2.694 195 S HA 0.389 4.860 4.470 0.001 0.000 0.232 195 S C 0.419 175.138 174.600 0.198 0.000 1.017 195 S CA 0.024 58.251 58.200 0.046 0.000 1.139 195 S CB 0.939 64.015 63.200 -0.205 0.000 1.247 195 S HN 0.705 nan 8.310 nan 0.000 0.452 196 G N 2.168 111.083 108.800 0.191 0.000 2.192 196 G HA2 -0.193 3.767 3.960 0.001 0.000 0.193 196 G HA3 -0.193 3.767 3.960 0.001 0.000 0.193 196 G C 0.360 175.353 174.900 0.156 0.000 0.999 196 G CA -0.108 45.120 45.100 0.214 0.000 0.659 196 G HN 0.498 nan 8.290 nan 0.000 0.503 197 N N 0.760 119.544 118.700 0.140 0.000 2.159 197 N HA 0.403 5.144 4.740 0.001 0.000 0.217 197 N C 0.989 176.534 175.510 0.058 0.000 1.223 197 N CA 1.020 54.152 53.050 0.136 0.000 0.896 197 N CB 1.747 40.388 38.487 0.257 0.000 1.064 197 N HN 1.528 nan 8.380 nan 0.000 0.518 198 G N 1.696 110.520 108.800 0.040 0.000 2.758 198 G HA2 -0.203 3.758 3.960 0.001 0.000 0.686 198 G HA3 -0.203 3.758 3.960 0.001 0.000 0.686 198 G C -0.806 174.100 174.900 0.011 0.000 1.389 198 G CA -0.758 44.337 45.100 -0.008 0.000 0.845 198 G HN 0.129 nan 8.290 nan 0.000 0.572 199 I N 1.660 122.225 120.570 -0.008 0.000 2.362 199 I HA 0.433 4.604 4.170 0.001 0.000 0.289 199 I C 1.020 177.119 176.117 -0.030 0.000 0.994 199 I CA -0.474 60.822 61.300 -0.007 0.000 1.158 199 I CB 1.646 39.637 38.000 -0.016 0.000 1.315 199 I HN 0.808 nan 8.210 nan 0.000 0.451 200 S N 5.894 121.596 115.700 0.003 0.000 2.669 200 S HA 0.345 4.816 4.470 0.001 0.000 0.270 200 S C 1.205 175.805 174.600 -0.000 0.000 1.225 200 S CA -0.874 57.346 58.200 0.034 0.000 0.991 200 S CB 1.397 64.635 63.200 0.064 0.000 0.987 200 S HN 0.790 nan 8.310 nan 0.000 0.552 201 M N -0.504 119.116 119.600 0.032 0.000 2.159 201 M HA -0.078 4.402 4.480 0.001 0.000 0.263 201 M C 1.377 177.688 176.300 0.019 0.000 1.063 201 M CA 1.794 57.103 55.300 0.016 0.000 1.110 201 M CB -1.123 31.518 32.600 0.069 0.000 1.374 201 M HN 0.655 nan 8.290 nan 0.000 0.411 202 E N 1.289 121.514 120.200 0.042 0.000 2.058 202 E HA -0.121 4.230 4.350 0.001 0.000 0.194 202 E C 2.079 178.718 176.600 0.066 0.000 0.997 202 E CA 2.259 58.694 56.400 0.058 0.000 0.801 202 E CB -0.623 29.114 29.700 0.062 0.000 0.746 202 E HN 0.534 nan 8.360 nan 0.000 0.450 203 T N 0.224 114.810 114.554 0.053 0.000 2.821 203 T HA -0.097 4.254 4.350 0.001 0.000 0.267 203 T C 1.898 176.641 174.700 0.073 0.000 1.046 203 T CA 1.168 63.312 62.100 0.072 0.000 1.139 203 T CB -0.297 68.610 68.868 0.064 0.000 0.871 203 T HN 0.286 nan 8.240 nan 0.000 0.454 204 A N 1.699 124.484 122.820 -0.058 0.000 1.898 204 A HA -0.091 4.230 4.320 0.001 0.000 0.216 204 A C 2.256 179.863 177.584 0.039 0.000 1.181 204 A CA 1.435 53.313 52.037 -0.264 0.000 0.620 204 A CB -0.354 18.293 19.000 -0.590 0.000 0.819 204 A HN 0.426 nan 8.150 nan 0.000 0.442 205 K N -0.940 119.499 120.400 0.065 0.000 2.057 205 K HA -0.064 4.257 4.320 0.001 0.000 0.206 205 K C 1.930 178.683 176.600 0.254 0.000 1.050 205 K CA 1.211 57.598 56.287 0.166 0.000 0.935 205 K CB -0.356 32.207 32.500 0.104 0.000 0.715 205 K HN 0.371 nan 8.250 nan 0.000 0.439 206 L N 1.654 123.009 121.223 0.220 0.000 1.989 206 L HA -0.182 4.158 4.340 0.001 0.000 0.211 206 L C 1.933 179.032 176.870 0.381 0.000 1.071 206 L CA 1.614 56.619 54.840 0.276 0.000 0.749 206 L CB -0.412 41.778 42.059 0.220 0.000 0.890 206 L HN 0.122 nan 8.230 nan 0.000 0.431 207 L N -1.978 119.465 121.223 0.365 0.000 2.046 207 L HA -0.262 4.079 4.340 0.001 0.000 0.208 207 L C 2.502 179.640 176.870 0.446 0.000 1.077 207 L CA 1.525 56.613 54.840 0.412 0.000 0.747 207 L CB -0.821 41.547 42.059 0.516 0.000 0.896 207 L HN 0.345 nan 8.230 nan 0.000 0.432 208 Y N 0.893 121.411 120.300 0.364 0.000 2.274 208 Y HA -0.281 4.270 4.550 0.001 0.000 0.290 208 Y C 2.896 178.893 175.900 0.163 0.000 1.145 208 Y CA 1.377 59.648 58.100 0.285 0.000 1.203 208 Y CB -0.227 38.402 38.460 0.281 0.000 0.984 208 Y HN 0.275 nan 8.280 nan 0.000 0.533 209 S N -1.504 114.297 115.700 0.169 0.000 2.447 209 S HA -0.208 4.263 4.470 0.001 0.000 0.233 209 S C 1.213 175.674 174.600 -0.233 0.000 1.006 209 S CA 1.047 59.213 58.200 -0.058 0.000 0.957 209 S CB -0.947 62.239 63.200 -0.025 0.000 0.773 209 S HN 0.522 nan 8.310 nan 0.000 0.507 210 Y N 1.663 121.956 120.300 -0.012 0.000 2.493 210 Y HA 0.453 5.003 4.550 0.001 0.000 0.275 210 Y C 1.740 177.595 175.900 -0.074 0.000 1.183 210 Y CA -0.212 57.868 58.100 -0.034 0.000 1.258 210 Y CB 0.202 38.662 38.460 -0.001 0.000 1.108 210 Y HN 0.419 nan 8.280 nan 0.000 0.521 211 G N 0.230 109.003 108.800 -0.045 0.000 2.141 211 G HA2 -0.221 3.739 3.960 0.001 0.000 0.231 211 G HA3 -0.221 3.739 3.960 0.001 0.000 0.231 211 G C -0.180 174.686 174.900 -0.056 0.000 0.984 211 G CA -0.321 44.715 45.100 -0.107 0.000 0.660 211 G HN 0.109 nan 8.290 nan 0.000 0.525 212 I N 0.483 121.067 120.570 0.023 0.000 2.352 212 I HA 0.366 4.537 4.170 0.001 0.000 0.290 212 I C 1.009 177.124 176.117 -0.004 0.000 1.036 212 I CA 0.091 61.378 61.300 -0.021 0.000 1.336 212 I CB 1.325 39.314 38.000 -0.019 0.000 1.407 212 I HN 0.165 nan 8.210 nan 0.000 0.497 213 K N 4.135 124.467 120.400 -0.113 0.000 2.412 213 K HA 0.217 4.538 4.320 0.001 0.000 0.202 213 K C -0.151 176.360 176.600 -0.148 0.000 1.102 213 K CA 0.096 56.415 56.287 0.054 0.000 1.027 213 K CB 0.673 33.263 32.500 0.150 0.000 0.931 213 K HN 0.555 nan 8.250 nan 0.000 0.557 214 N N 0.458 118.928 118.700 -0.384 0.000 2.354 214 N HA 0.283 5.024 4.740 0.001 0.000 0.287 214 N C -1.312 173.926 175.510 -0.454 0.000 1.016 214 N CA -0.196 52.766 53.050 -0.146 0.000 0.871 214 N CB 1.236 39.890 38.487 0.278 0.000 1.299 214 N HN -0.102 nan 8.380 nan 0.000 0.482 215 F N -0.133 119.875 119.950 0.096 0.000 2.577 215 F HA 0.315 4.843 4.527 0.001 0.000 0.318 215 F C 0.057 175.863 175.800 0.011 0.000 1.065 215 F CA -0.952 57.088 58.000 0.066 0.000 0.929 215 F CB 2.104 41.136 39.000 0.052 0.000 1.237 215 F HN 0.208 nan 8.300 nan 0.000 0.468 216 D N 0.334 120.877 120.400 0.238 0.000 2.505 216 D HA 0.175 4.815 4.640 0.001 0.000 0.250 216 D C 0.828 177.207 176.300 0.133 0.000 1.164 216 D CA -0.361 53.723 54.000 0.139 0.000 0.870 216 D CB 1.568 42.452 40.800 0.141 0.000 1.160 216 D HN 0.604 nan 8.370 nan 0.000 0.549 217 T N 0.871 115.475 114.554 0.083 0.000 2.699 217 T HA -0.186 4.165 4.350 0.001 0.000 0.268 217 T C 1.239 175.969 174.700 0.050 0.000 1.036 217 T CA 1.216 63.344 62.100 0.048 0.000 1.147 217 T CB -0.569 68.298 68.868 -0.003 0.000 0.862 217 T HN 0.498 nan 8.240 nan 0.000 0.446 218 S N 1.494 117.230 115.700 0.059 0.000 3.280 218 S HA -0.061 4.410 4.470 0.001 0.000 0.349 218 S C 0.611 175.237 174.600 0.045 0.000 0.936 218 S CA 0.235 58.475 58.200 0.066 0.000 1.301 218 S CB -1.671 61.588 63.200 0.097 0.000 0.907 218 S HN 1.135 nan 8.310 nan 0.000 0.516 219 G N 1.421 110.220 108.800 -0.002 0.000 2.588 219 G HA2 0.509 4.470 3.960 0.001 0.000 0.281 219 G HA3 0.509 4.470 3.960 0.001 0.000 0.281 219 G C -0.059 174.816 174.900 -0.041 0.000 1.236 219 G CA -0.356 44.713 45.100 -0.052 0.000 0.969 219 G HN 0.901 nan 8.290 nan 0.000 0.504 220 Q N -1.560 118.188 119.800 -0.087 0.000 2.417 220 Q HA 0.500 4.841 4.340 0.001 0.000 0.241 220 Q C 0.814 176.768 176.000 -0.076 0.000 1.008 220 Q CA 0.157 55.924 55.803 -0.059 0.000 0.901 220 Q CB 1.048 29.742 28.738 -0.074 0.000 1.259 220 Q HN 1.416 nan 8.270 nan 0.000 0.489 221 G N 0.137 108.916 108.800 -0.035 0.000 2.380 221 G HA2 -0.128 3.832 3.960 0.001 0.000 0.197 221 G HA3 -0.128 3.832 3.960 0.001 0.000 0.197 221 G C 0.257 175.150 174.900 -0.013 0.000 1.001 221 G CA -0.203 44.884 45.100 -0.023 0.000 0.668 221 G HN 1.044 nan 8.290 nan 0.000 0.483 222 G N -0.219 108.574 108.800 -0.011 0.000 3.310 222 G HA2 0.500 4.460 3.960 0.001 0.000 0.176 222 G HA3 0.500 4.460 3.960 0.001 0.000 0.176 222 G C 0.195 175.068 174.900 -0.044 0.000 1.307 222 G CA 0.627 45.716 45.100 -0.017 0.000 0.935 222 G HN 0.681 nan 8.290 nan 0.000 0.628 223 T N 0.954 115.470 114.554 -0.063 0.000 2.800 223 T HA 0.037 4.388 4.350 0.001 0.000 0.283 223 T C 0.196 174.811 174.700 -0.142 0.000 0.999 223 T CA 0.771 62.773 62.100 -0.162 0.000 1.176 223 T CB -0.235 68.518 68.868 -0.192 0.000 0.973 223 T HN 0.439 nan 8.240 nan 0.000 0.519 224 N N 2.269 120.852 118.700 -0.196 0.000 2.609 224 N HA 0.222 4.963 4.740 0.001 0.000 0.234 224 N C 0.434 175.869 175.510 -0.125 0.000 1.001 224 N CA -0.713 52.288 53.050 -0.083 0.000 0.926 224 N CB 0.448 38.904 38.487 -0.052 0.000 1.130 224 N HN 0.669 nan 8.380 nan 0.000 0.510 225 W N 2.835 124.150 121.300 0.024 0.000 2.425 225 W HA 0.057 4.717 4.660 0.001 0.000 0.277 225 W C 1.593 178.130 176.519 0.030 0.000 1.231 225 W CA 0.148 57.514 57.345 0.035 0.000 1.248 225 W CB 0.098 29.581 29.460 0.038 0.000 1.117 225 W HN 0.578 nan 8.180 nan 0.000 0.568 226 I N -0.033 120.658 120.570 0.202 0.000 2.286 226 I HA -0.311 3.860 4.170 0.001 0.000 0.248 226 I C 2.558 178.642 176.117 -0.054 0.000 1.115 226 I CA 1.331 62.633 61.300 0.005 0.000 1.392 226 I CB -0.830 37.095 38.000 -0.125 0.000 1.065 226 I HN -0.047 nan 8.210 nan 0.000 0.418 227 A N 1.044 123.842 122.820 -0.037 0.000 1.902 227 A HA -0.162 4.158 4.320 0.001 0.000 0.217 227 A C 2.289 179.836 177.584 -0.061 0.000 1.181 227 A CA 1.432 53.431 52.037 -0.063 0.000 0.623 227 A CB -0.768 18.187 19.000 -0.075 0.000 0.818 227 A HN 0.365 nan 8.150 nan 0.000 0.443 228 I N -0.245 120.282 120.570 -0.071 0.000 2.226 228 I HA -0.222 3.949 4.170 0.001 0.000 0.245 228 I C 2.360 178.499 176.117 0.037 0.000 1.100 228 I CA 1.313 62.576 61.300 -0.062 0.000 1.374 228 I CB -0.301 37.595 38.000 -0.172 0.000 1.057 228 I HN 0.298 nan 8.210 nan 0.000 0.413 229 E N 0.241 120.515 120.200 0.124 0.000 2.152 229 E HA -0.216 4.134 4.350 0.001 0.000 0.192 229 E C 2.066 178.684 176.600 0.029 0.000 0.983 229 E CA 0.966 57.437 56.400 0.119 0.000 0.818 229 E CB -0.327 29.493 29.700 0.201 0.000 0.758 229 E HN 0.523 nan 8.360 nan 0.000 0.467 230 M N 0.508 120.099 119.600 -0.016 0.000 2.080 230 M HA -0.184 4.296 4.480 0.001 0.000 0.260 230 M C 2.166 178.449 176.300 -0.029 0.000 1.068 230 M CA 1.503 56.779 55.300 -0.040 0.000 1.109 230 M CB -0.102 32.460 32.600 -0.062 0.000 1.342 230 M HN 0.020 nan 8.290 nan 0.000 0.405 231 I N -0.209 120.341 120.570 -0.033 0.000 2.179 231 I HA -0.335 3.835 4.170 0.001 0.000 0.242 231 I C 2.508 178.602 176.117 -0.038 0.000 1.088 231 I CA 1.409 62.688 61.300 -0.036 0.000 1.357 231 I CB -0.503 37.469 38.000 -0.046 0.000 1.051 231 I HN 0.328 nan 8.210 nan 0.000 0.409 232 R N 0.691 121.163 120.500 -0.047 0.000 2.096 232 R HA -0.200 4.141 4.340 0.001 0.000 0.240 232 R C 1.980 178.255 176.300 -0.041 0.000 1.139 232 R CA 1.895 57.960 56.100 -0.057 0.000 0.952 232 R CB -0.535 29.721 30.300 -0.074 0.000 0.854 232 R HN 0.386 nan 8.270 nan 0.000 0.436 233 D N 0.651 121.029 120.400 -0.036 0.000 2.123 233 D HA -0.153 4.488 4.640 0.001 0.000 0.196 233 D C 1.944 178.226 176.300 -0.031 0.000 0.992 233 D CA 1.139 55.110 54.000 -0.048 0.000 0.833 233 D CB -0.226 40.536 40.800 -0.064 0.000 0.954 233 D HN 0.239 nan 8.370 nan 0.000 0.455 234 I N 0.508 121.066 120.570 -0.020 0.000 2.163 234 I HA -0.267 3.904 4.170 0.001 0.000 0.243 234 I C 2.461 178.574 176.117 -0.007 0.000 1.085 234 I CA 1.052 62.348 61.300 -0.006 0.000 1.347 234 I CB -0.106 37.892 38.000 -0.005 0.000 1.044 234 I HN -0.112 nan 8.210 nan 0.000 0.408 235 R N 0.715 121.206 120.500 -0.016 0.000 2.159 235 R HA -0.133 4.208 4.340 0.001 0.000 0.237 235 R C 1.871 178.164 176.300 -0.011 0.000 1.131 235 R CA 1.101 57.192 56.100 -0.015 0.000 0.982 235 R CB -0.144 30.141 30.300 -0.024 0.000 0.868 235 R HN 0.464 nan 8.270 nan 0.000 0.453 236 R N -0.934 119.558 120.500 -0.014 0.000 2.427 236 R HA 0.224 4.565 4.340 0.001 0.000 0.262 236 R C 0.501 176.802 176.300 0.002 0.000 0.943 236 R CA 0.583 56.678 56.100 -0.009 0.000 1.081 236 R CB 0.439 30.729 30.300 -0.017 0.000 1.166 236 R HN 0.137 nan 8.270 nan 0.000 0.534 237 G N 2.050 110.855 108.800 0.009 0.000 2.249 237 G HA2 -0.323 3.638 3.960 0.001 0.000 0.273 237 G HA3 -0.323 3.638 3.960 0.001 0.000 0.273 237 G C -0.497 174.428 174.900 0.042 0.000 1.036 237 G CA 0.339 45.456 45.100 0.030 0.000 0.824 237 G HN 0.534 nan 8.290 nan 0.000 0.504 238 N N 0.698 119.398 118.700 -0.001 0.000 2.444 238 N HA 0.157 4.898 4.740 0.001 0.000 0.271 238 N C 1.740 177.219 175.510 -0.052 0.000 1.069 238 N CA -0.399 52.612 53.050 -0.065 0.000 0.965 238 N CB 0.217 38.611 38.487 -0.155 0.000 1.092 238 N HN 0.468 nan 8.380 nan 0.000 0.476 239 W N 4.543 125.860 121.300 0.029 0.000 2.468 239 W HA -0.049 4.612 4.660 0.002 0.000 0.262 239 W C 0.559 177.108 176.519 0.050 0.000 1.241 239 W CA 0.020 57.386 57.345 0.034 0.000 1.232 239 W CB -0.323 29.155 29.460 0.029 0.000 1.124 239 W HN 0.484 nan 8.180 nan 0.000 0.597 240 K N 1.067 121.072 120.400 -0.658 0.000 2.360 240 K HA -0.095 4.226 4.320 0.001 0.000 0.201 240 K C 2.443 178.999 176.600 -0.073 0.000 1.046 240 K CA 1.291 57.264 56.287 -0.523 0.000 0.940 240 K CB -0.249 31.893 32.500 -0.597 0.000 0.748 240 K HN 0.191 nan 8.250 nan 0.000 0.465 241 A N 2.044 124.846 122.820 -0.030 0.000 1.933 241 A HA -0.221 4.099 4.320 0.001 0.000 0.218 241 A C 1.897 179.517 177.584 0.059 0.000 1.175 241 A CA 1.583 53.627 52.037 0.011 0.000 0.628 241 A CB -0.329 18.678 19.000 0.011 0.000 0.814 241 A HN 0.486 nan 8.150 nan 0.000 0.444 242 E N -0.163 120.113 120.200 0.127 0.000 2.106 242 E HA -0.115 4.236 4.350 0.001 0.000 0.192 242 E C 2.040 178.749 176.600 0.182 0.000 0.984 242 E CA 1.359 57.848 56.400 0.149 0.000 0.806 242 E CB -0.399 29.410 29.700 0.183 0.000 0.750 242 E HN 0.476 nan 8.360 nan 0.000 0.458 243 S N 1.370 117.219 115.700 0.248 0.000 2.355 243 S HA -0.095 4.376 4.470 0.001 0.000 0.222 243 S C 2.282 177.058 174.600 0.293 0.000 1.031 243 S CA 0.928 59.329 58.200 0.336 0.000 0.993 243 S CB -0.340 63.099 63.200 0.398 0.000 0.859 243 S HN 0.472 nan 8.310 nan 0.000 0.453 244 A N 1.923 124.776 122.820 0.055 0.000 1.917 244 A HA -0.245 4.076 4.320 0.001 0.000 0.219 244 A C 2.013 179.495 177.584 -0.171 0.000 1.182 244 A CA 2.152 53.938 52.037 -0.418 0.000 0.633 244 A CB -0.663 18.127 19.000 -0.350 0.000 0.819 244 A HN 0.502 nan 8.150 nan 0.000 0.448 245 K N -0.106 120.281 120.400 -0.022 0.000 2.103 245 K HA -0.206 4.115 4.320 0.001 0.000 0.207 245 K C 1.593 178.221 176.600 0.046 0.000 1.048 245 K CA 1.869 58.162 56.287 0.011 0.000 0.930 245 K CB -0.352 32.167 32.500 0.031 0.000 0.716 245 K HN 0.680 nan 8.250 nan 0.000 0.444 246 N N -0.960 117.805 118.700 0.108 0.000 2.443 246 N HA -0.109 4.632 4.740 0.001 0.000 0.184 246 N C 0.415 175.899 175.510 -0.044 0.000 1.037 246 N CA 0.643 53.729 53.050 0.060 0.000 0.896 246 N CB 0.060 38.611 38.487 0.106 0.000 0.959 246 N HN 0.113 nan 8.380 nan 0.000 0.442 247 F N -0.084 119.843 119.950 -0.037 0.000 2.654 247 F HA 0.314 4.842 4.527 0.001 0.000 0.303 247 F C 1.233 177.039 175.800 0.009 0.000 1.099 247 F CA -0.268 57.734 58.000 0.002 0.000 1.270 247 F CB 0.226 39.107 39.000 -0.199 0.000 1.024 247 F HN -0.042 nan 8.300 nan 0.000 0.548 248 L N 0.423 121.703 121.223 0.094 0.000 2.131 248 L HA -0.195 4.145 4.340 0.001 0.000 0.210 248 L C 1.572 178.502 176.870 0.100 0.000 1.092 248 L CA 1.379 56.255 54.840 0.061 0.000 0.759 248 L CB -0.328 41.743 42.059 0.020 0.000 0.903 248 L HN 0.202 nan 8.230 nan 0.000 0.435 249 D N -2.061 118.407 120.400 0.113 0.000 2.358 249 D HA -0.110 4.531 4.640 0.001 0.000 0.224 249 D C 0.359 176.738 176.300 0.132 0.000 1.123 249 D CA -0.416 53.640 54.000 0.093 0.000 0.833 249 D CB -0.301 40.533 40.800 0.056 0.000 0.946 249 D HN 0.165 nan 8.370 nan 0.000 0.505 250 W N 1.782 123.116 121.300 0.058 0.000 2.238 250 W HA 0.403 5.063 4.660 0.001 0.000 0.321 250 W C 0.318 176.891 176.519 0.090 0.000 1.293 250 W CA 1.631 59.045 57.345 0.114 0.000 1.204 250 W CB 0.896 30.531 29.460 0.292 0.000 1.167 250 W HN 0.253 nan 8.180 nan 0.000 0.553 251 G N 2.530 111.051 108.800 -0.466 0.000 2.355 251 G HA2 -0.017 3.944 3.960 0.001 0.000 0.619 251 G HA3 -0.017 3.944 3.960 0.001 0.000 0.619 251 G C -2.044 172.696 174.900 -0.267 0.000 1.337 251 G CA -1.042 43.900 45.100 -0.264 0.000 0.993 251 G HN 0.526 nan 8.290 nan 0.000 0.599 252 V N 2.097 121.883 119.914 -0.213 0.000 2.432 252 V HA 0.414 4.535 4.120 0.001 0.000 0.271 252 V C -1.670 174.135 176.094 -0.483 0.000 1.046 252 V CA -1.049 61.033 62.300 -0.362 0.000 0.945 252 V CB 1.349 33.047 31.823 -0.208 0.000 0.992 252 V HN 0.586 nan 8.190 nan 0.000 0.471 253 P HA 0.053 nan 4.420 nan 0.000 0.264 253 P C 1.190 178.194 177.300 -0.494 0.000 1.183 253 P CA 0.362 63.023 63.100 -0.731 0.000 0.763 253 P CB 0.458 31.314 31.700 -1.406 0.000 0.807 254 T N 2.555 116.942 114.554 -0.277 0.000 2.620 254 T HA -0.301 4.049 4.350 0.001 0.000 0.267 254 T C 1.764 176.362 174.700 -0.171 0.000 1.044 254 T CA 2.342 64.340 62.100 -0.170 0.000 1.161 254 T CB -0.763 68.053 68.868 -0.086 0.000 0.862 254 T HN 0.495 nan 8.240 nan 0.000 0.438 255 A N 1.311 124.038 122.820 -0.155 0.000 1.908 255 A HA 0.088 4.409 4.320 0.001 0.000 0.218 255 A C 2.654 180.118 177.584 -0.201 0.000 1.181 255 A CA 2.057 54.025 52.037 -0.115 0.000 0.627 255 A CB -1.124 17.861 19.000 -0.026 0.000 0.818 255 A HN 0.556 nan 8.150 nan 0.000 0.445 256 A N -1.073 121.510 122.820 -0.395 0.000 1.930 256 A HA -0.067 4.253 4.320 0.001 0.000 0.217 256 A C 2.469 179.835 177.584 -0.363 0.000 1.175 256 A CA 2.078 53.773 52.037 -0.571 0.000 0.627 256 A CB -0.887 17.277 19.000 -1.393 0.000 0.815 256 A HN 0.543 nan 8.150 nan 0.000 0.443 257 S N -0.354 115.154 115.700 -0.319 0.000 2.355 257 S HA -0.119 4.352 4.470 0.001 0.000 0.222 257 S C 1.910 176.452 174.600 -0.096 0.000 1.031 257 S CA 1.361 59.457 58.200 -0.174 0.000 0.993 257 S CB -0.536 62.574 63.200 -0.151 0.000 0.859 257 S HN 0.484 nan 8.310 nan 0.000 0.453 258 I N 1.271 121.792 120.570 -0.081 0.000 2.151 258 I HA -0.278 3.893 4.170 0.001 0.000 0.243 258 I C 2.609 178.749 176.117 0.038 0.000 1.080 258 I CA 1.673 62.965 61.300 -0.013 0.000 1.339 258 I CB -0.363 37.638 38.000 0.002 0.000 1.039 258 I HN 0.384 nan 8.210 nan 0.000 0.409 259 M N -0.257 119.326 119.600 -0.027 0.000 2.086 259 M HA -0.220 4.261 4.480 0.001 0.000 0.261 259 M C 2.232 178.561 176.300 0.048 0.000 1.067 259 M CA 1.819 57.075 55.300 -0.073 0.000 1.116 259 M CB -0.482 31.891 32.600 -0.377 0.000 1.348 259 M HN 0.211 nan 8.290 nan 0.000 0.407 260 E N -0.313 119.893 120.200 0.010 0.000 2.106 260 E HA -0.136 4.215 4.350 0.001 0.000 0.192 260 E C 2.074 178.713 176.600 0.066 0.000 0.984 260 E CA 1.221 57.664 56.400 0.072 0.000 0.806 260 E CB -0.022 29.718 29.700 0.068 0.000 0.750 260 E HN 0.324 nan 8.360 nan 0.000 0.458 261 V N 1.104 121.012 119.914 -0.010 0.000 2.323 261 V HA -0.215 3.906 4.120 0.001 0.000 0.244 261 V C 2.390 178.472 176.094 -0.020 0.000 1.041 261 V CA 1.783 64.016 62.300 -0.112 0.000 1.025 261 V CB -0.425 31.279 31.823 -0.198 0.000 0.656 261 V HN 0.105 nan 8.190 nan 0.000 0.451 262 R N -0.628 119.927 120.500 0.091 0.000 2.081 262 R HA -0.206 4.135 4.340 0.001 0.000 0.235 262 R C 2.251 178.648 176.300 0.162 0.000 1.131 262 R CA 1.841 58.017 56.100 0.126 0.000 0.960 262 R CB -0.683 29.730 30.300 0.188 0.000 0.856 262 R HN 0.561 nan 8.270 nan 0.000 0.436 263 Y N 0.380 120.772 120.300 0.153 0.000 2.200 263 Y HA -0.153 4.397 4.550 0.001 0.000 0.290 263 Y C 2.421 178.336 175.900 0.025 0.000 1.137 263 Y CA 1.955 60.139 58.100 0.140 0.000 1.163 263 Y CB -0.195 38.385 38.460 0.199 0.000 0.988 263 Y HN 0.293 nan 8.280 nan 0.000 0.518 264 S N -1.247 114.490 115.700 0.061 0.000 2.458 264 S HA 0.033 4.504 4.470 0.001 0.000 0.223 264 S C 0.655 175.147 174.600 -0.180 0.000 1.019 264 S CA 0.393 58.558 58.200 -0.059 0.000 0.937 264 S CB -0.072 63.129 63.200 0.001 0.000 0.788 264 S HN 0.148 nan 8.310 nan 0.000 0.511 265 V N 2.386 122.185 119.914 -0.191 0.000 2.315 265 V HA 0.505 4.625 4.120 0.001 0.000 0.265 265 V C -2.528 173.480 176.094 -0.143 0.000 1.019 265 V CA -2.013 60.117 62.300 -0.283 0.000 0.824 265 V CB 1.436 32.998 31.823 -0.436 0.000 1.072 265 V HN -0.003 nan 8.190 nan 0.000 0.448 266 P HA -0.125 nan 4.420 nan 0.000 0.218 266 P C 0.963 178.244 177.300 -0.032 0.000 1.148 266 P CA 1.714 64.764 63.100 -0.083 0.000 0.822 266 P CB 0.126 31.760 31.700 -0.110 0.000 0.784 267 D N -1.193 119.193 120.400 -0.024 0.000 2.340 267 D HA -0.021 4.620 4.640 0.001 0.000 0.220 267 D C 0.254 176.621 176.300 0.111 0.000 1.039 267 D CA 0.146 54.173 54.000 0.046 0.000 0.866 267 D CB -0.644 40.201 40.800 0.075 0.000 0.913 267 D HN 0.163 nan 8.370 nan 0.000 0.523 268 S N 0.179 115.955 115.700 0.127 0.000 2.573 268 S HA 0.173 4.644 4.470 0.001 0.000 0.277 268 S C -0.140 174.596 174.600 0.227 0.000 1.346 268 S CA -0.894 57.451 58.200 0.241 0.000 1.034 268 S CB 0.480 63.908 63.200 0.380 0.000 0.879 268 S HN 0.201 nan 8.310 nan 0.000 0.528 269 F N 2.365 122.360 119.950 0.074 0.000 2.411 269 F HA 0.623 5.150 4.527 0.001 0.000 0.350 269 F C -0.627 175.204 175.800 0.052 0.000 1.114 269 F CA -1.297 56.694 58.000 -0.015 0.000 1.135 269 F CB 0.526 39.435 39.000 -0.151 0.000 1.120 269 F HN 0.589 nan 8.300 nan 0.000 0.495 270 L N 7.739 128.625 121.223 -0.561 0.000 2.376 270 L HA 0.512 4.852 4.340 0.001 0.000 0.275 270 L C -1.425 175.176 176.870 -0.447 0.000 0.987 270 L CA -0.909 53.739 54.840 -0.320 0.000 0.828 270 L CB 1.826 43.835 42.059 -0.085 0.000 1.249 270 L HN 0.395 nan 8.230 nan 0.000 0.409 271 V N 3.570 123.304 119.914 -0.301 0.000 2.406 271 V HA 0.384 4.504 4.120 0.001 0.000 0.272 271 V C 0.841 176.908 176.094 -0.045 0.000 1.043 271 V CA -0.468 61.739 62.300 -0.155 0.000 0.915 271 V CB 1.264 33.064 31.823 -0.039 0.000 0.988 271 V HN 0.883 nan 8.190 nan 0.000 0.466 272 G N 3.714 112.497 108.800 -0.029 0.000 2.393 272 G HA2 0.533 4.494 3.960 0.001 0.000 0.311 272 G HA3 0.533 4.494 3.960 0.001 0.000 0.311 272 G C 0.048 174.959 174.900 0.017 0.000 1.067 272 G CA 0.096 45.193 45.100 -0.004 0.000 1.000 272 G HN 0.902 nan 8.290 nan 0.000 0.422 273 S N 0.996 116.710 115.700 0.025 0.000 2.661 273 S HA 0.893 5.364 4.470 0.001 0.000 0.285 273 S C -0.162 174.456 174.600 0.031 0.000 1.138 273 S CA -0.312 57.913 58.200 0.041 0.000 0.855 273 S CB 2.101 65.341 63.200 0.066 0.000 1.136 273 S HN 2.205 nan 8.310 nan 0.000 0.484 274 G N -0.548 108.275 108.800 0.038 0.000 2.768 274 G HA2 0.468 4.429 3.960 0.001 0.000 0.666 274 G HA3 0.468 4.429 3.960 0.001 0.000 0.666 274 G C 0.814 175.721 174.900 0.013 0.000 1.162 274 G CA 0.179 45.296 45.100 0.029 0.000 1.226 274 G HN 2.483 nan 8.290 nan 0.000 0.535 275 G N 0.156 108.967 108.800 0.018 0.000 2.132 275 G HA2 -0.116 3.845 3.960 0.001 0.000 0.234 275 G HA3 -0.116 3.845 3.960 0.001 0.000 0.234 275 G C 0.388 175.303 174.900 0.024 0.000 0.989 275 G CA 0.217 45.325 45.100 0.012 0.000 0.676 275 G HN 1.495 nan 8.290 nan 0.000 0.522 276 I N 0.863 121.456 120.570 0.039 0.000 2.363 276 I HA 0.335 4.506 4.170 0.001 0.000 0.292 276 I C 1.154 177.316 176.117 0.076 0.000 1.075 276 I CA 0.031 61.362 61.300 0.051 0.000 1.333 276 I CB 0.985 39.022 38.000 0.061 0.000 1.415 276 I HN 0.066 nan 8.210 nan 0.000 0.502 277 R N 3.275 123.815 120.500 0.067 0.000 2.509 277 R HA 0.189 4.529 4.340 0.001 0.000 0.297 277 R C 0.232 176.580 176.300 0.080 0.000 0.951 277 R CA 0.061 56.218 56.100 0.095 0.000 1.103 277 R CB 0.559 30.897 30.300 0.063 0.000 1.283 277 R HN 0.718 nan 8.270 nan 0.000 0.534 278 S N -2.738 112.982 115.700 0.033 0.000 2.607 278 S HA 0.470 4.940 4.470 0.001 0.000 0.273 278 S C 0.936 175.520 174.600 -0.026 0.000 1.148 278 S CA -0.254 57.940 58.200 -0.011 0.000 0.833 278 S CB 1.616 64.815 63.200 -0.001 0.000 1.130 278 S HN 0.010 nan 8.310 nan 0.000 0.470 279 G N 0.258 109.026 108.800 -0.053 0.000 2.470 279 G HA2 -0.029 3.932 3.960 0.001 0.000 0.220 279 G HA3 -0.029 3.932 3.960 0.001 0.000 0.220 279 G C 1.066 175.944 174.900 -0.037 0.000 1.121 279 G CA 0.569 45.641 45.100 -0.047 0.000 0.766 279 G HN 0.662 nan 8.290 nan 0.000 0.553 280 L N 0.117 121.320 121.223 -0.034 0.000 2.044 280 L HA -0.039 4.302 4.340 0.001 0.000 0.205 280 L C 2.341 179.206 176.870 -0.008 0.000 1.075 280 L CA 1.532 56.357 54.840 -0.024 0.000 0.747 280 L CB -0.284 41.763 42.059 -0.021 0.000 0.903 280 L HN 0.107 nan 8.230 nan 0.000 0.435 281 D N 0.241 120.641 120.400 -0.001 0.000 2.133 281 D HA -0.200 4.441 4.640 0.001 0.000 0.195 281 D C 2.136 178.442 176.300 0.011 0.000 0.997 281 D CA 1.520 55.526 54.000 0.009 0.000 0.840 281 D CB -0.011 40.799 40.800 0.018 0.000 0.947 281 D HN 0.439 nan 8.370 nan 0.000 0.452 282 A N 0.953 123.779 122.820 0.009 0.000 1.877 282 A HA -0.057 4.264 4.320 0.001 0.000 0.216 282 A C 2.330 179.918 177.584 0.007 0.000 1.186 282 A CA 2.382 54.427 52.037 0.013 0.000 0.620 282 A CB -0.752 18.256 19.000 0.013 0.000 0.822 282 A HN 0.247 nan 8.150 nan 0.000 0.443 283 A N -0.236 122.583 122.820 -0.003 0.000 1.898 283 A HA -0.145 4.175 4.320 0.001 0.000 0.216 283 A C 2.107 179.694 177.584 0.005 0.000 1.181 283 A CA 1.774 53.808 52.037 -0.005 0.000 0.620 283 A CB -0.434 18.556 19.000 -0.017 0.000 0.819 283 A HN 0.546 nan 8.150 nan 0.000 0.442 284 K N -0.230 120.174 120.400 0.007 0.000 2.032 284 K HA -0.109 4.211 4.320 0.001 0.000 0.209 284 K C 2.330 178.942 176.600 0.020 0.000 1.048 284 K CA 1.218 57.513 56.287 0.014 0.000 0.927 284 K CB -0.376 32.131 32.500 0.012 0.000 0.712 284 K HN 0.438 nan 8.250 nan 0.000 0.441 285 A N 1.390 124.220 122.820 0.016 0.000 1.908 285 A HA -0.174 4.147 4.320 0.001 0.000 0.218 285 A C 2.145 179.742 177.584 0.022 0.000 1.181 285 A CA 1.467 53.515 52.037 0.017 0.000 0.627 285 A CB -0.595 18.413 19.000 0.013 0.000 0.818 285 A HN 0.191 nan 8.150 nan 0.000 0.445 286 I N -0.448 120.133 120.570 0.018 0.000 2.233 286 I HA -0.209 3.962 4.170 0.001 0.000 0.243 286 I C 2.953 179.083 176.117 0.022 0.000 1.093 286 I CA 0.995 62.305 61.300 0.016 0.000 1.380 286 I CB -0.314 37.693 38.000 0.013 0.000 1.067 286 I HN 0.326 nan 8.210 nan 0.000 0.413 287 A N 0.634 123.467 122.820 0.023 0.000 1.933 287 A HA -0.172 4.149 4.320 0.001 0.000 0.218 287 A C 2.361 179.977 177.584 0.053 0.000 1.175 287 A CA 1.321 53.375 52.037 0.028 0.000 0.628 287 A CB -0.860 18.155 19.000 0.025 0.000 0.814 287 A HN 0.399 nan 8.150 nan 0.000 0.444 288 L N -2.082 119.184 121.223 0.073 0.000 2.131 288 L HA -0.096 4.244 4.340 0.001 0.000 0.210 288 L C 1.862 178.846 176.870 0.189 0.000 1.092 288 L CA 1.612 56.535 54.840 0.140 0.000 0.759 288 L CB -0.114 42.007 42.059 0.104 0.000 0.903 288 L HN 0.639 nan 8.230 nan 0.000 0.435 289 G N -2.467 106.392 108.800 0.099 0.000 3.658 289 G HA2 -0.020 3.941 3.960 0.001 0.000 0.220 289 G HA3 -0.020 3.941 3.960 0.001 0.000 0.220 289 G C 0.246 175.167 174.900 0.036 0.000 0.917 289 G CA -0.014 45.129 45.100 0.071 0.000 0.865 289 G HN 0.422 nan 8.290 nan 0.000 0.652 290 A N 0.522 123.356 122.820 0.022 0.000 2.366 290 A HA 0.558 4.879 4.320 0.001 0.000 0.249 290 A C 1.012 178.579 177.584 -0.029 0.000 1.084 290 A CA 0.723 52.748 52.037 -0.020 0.000 0.794 290 A CB 0.393 19.378 19.000 -0.024 0.000 1.034 290 A HN 0.090 nan 8.150 nan 0.000 0.491 291 D N -0.465 119.885 120.400 -0.083 0.000 2.240 291 D HA 0.132 4.772 4.640 0.001 0.000 0.206 291 D C 0.594 176.904 176.300 0.017 0.000 0.963 291 D CA 1.552 55.539 54.000 -0.022 0.000 0.863 291 D CB 0.060 40.860 40.800 -0.000 0.000 0.973 291 D HN 0.655 nan 8.370 nan 0.000 0.501 292 I N -3.158 117.390 120.570 -0.037 0.000 3.006 292 I HA 0.654 4.824 4.170 0.001 0.000 0.306 292 I C -1.430 174.698 176.117 0.018 0.000 1.250 292 I CA -1.421 59.902 61.300 0.039 0.000 0.996 292 I CB 2.384 40.474 38.000 0.150 0.000 1.261 292 I HN -0.274 nan 8.210 nan 0.000 0.442 293 A N 2.074 124.922 122.820 0.046 0.000 2.312 293 A HA 0.906 5.226 4.320 0.001 0.000 0.328 293 A C -0.002 177.628 177.584 0.076 0.000 1.158 293 A CA -0.199 51.867 52.037 0.048 0.000 0.821 293 A CB 0.926 19.953 19.000 0.045 0.000 1.170 293 A HN 1.170 nan 8.150 nan 0.000 0.490 294 G N 0.432 109.280 108.800 0.079 0.000 2.453 294 G HA2 0.624 4.585 3.960 0.001 0.000 0.323 294 G HA3 0.624 4.585 3.960 0.001 0.000 0.323 294 G C -0.795 174.170 174.900 0.108 0.000 1.198 294 G CA -0.641 44.521 45.100 0.103 0.000 0.959 294 G HN 0.648 nan 8.290 nan 0.000 0.482 295 M N 0.591 120.270 119.600 0.132 0.000 2.484 295 M HA 0.582 5.063 4.480 0.001 0.000 0.289 295 M C 0.381 176.744 176.300 0.105 0.000 1.206 295 M CA -0.783 54.595 55.300 0.129 0.000 0.892 295 M CB 2.637 35.356 32.600 0.199 0.000 1.712 295 M HN 0.651 nan 8.290 nan 0.000 0.462 296 A N 1.321 124.176 122.820 0.058 0.000 1.848 296 A HA 0.369 4.690 4.320 0.001 0.000 0.184 296 A C 1.339 178.894 177.584 -0.048 0.000 1.946 296 A CA -0.144 51.910 52.037 0.029 0.000 1.093 296 A CB -0.396 18.640 19.000 0.060 0.000 1.014 296 A HN 0.809 nan 8.150 nan 0.000 0.638 297 L N 0.922 122.107 121.223 -0.064 0.000 2.013 297 L HA -0.101 4.240 4.340 0.001 0.000 0.212 297 L C -0.611 176.131 176.870 -0.214 0.000 1.073 297 L CA 2.519 57.279 54.840 -0.134 0.000 0.753 297 L CB -0.947 41.033 42.059 -0.132 0.000 0.890 297 L HN 0.298 nan 8.230 nan 0.000 0.432 298 P HA -0.082 nan 4.420 nan 0.000 0.223 298 P C 1.815 178.640 177.300 -0.792 0.000 1.151 298 P CA 0.964 63.808 63.100 -0.426 0.000 0.787 298 P CB 0.107 31.628 31.700 -0.299 0.000 0.788 299 V N 0.782 120.323 119.914 -0.622 0.000 2.379 299 V HA -0.179 3.942 4.120 0.001 0.000 0.245 299 V C 2.689 178.554 176.094 -0.381 0.000 1.044 299 V CA 1.196 63.138 62.300 -0.597 0.000 1.036 299 V CB -1.129 30.563 31.823 -0.219 0.000 0.664 299 V HN 0.064 nan 8.190 nan 0.000 0.453 300 L N 0.115 121.180 121.223 -0.263 0.000 1.989 300 L HA -0.233 4.108 4.340 0.001 0.000 0.211 300 L C 2.653 179.380 176.870 -0.239 0.000 1.071 300 L CA 2.135 56.853 54.840 -0.203 0.000 0.749 300 L CB -0.436 41.519 42.059 -0.173 0.000 0.890 300 L HN 0.332 nan 8.230 nan 0.000 0.431 301 K N -0.655 119.572 120.400 -0.287 0.000 2.103 301 K HA -0.141 4.180 4.320 0.001 0.000 0.207 301 K C 2.056 178.519 176.600 -0.229 0.000 1.048 301 K CA 1.702 57.834 56.287 -0.259 0.000 0.930 301 K CB -0.077 32.272 32.500 -0.251 0.000 0.716 301 K HN 0.301 nan 8.250 nan 0.000 0.444 302 S N 0.763 116.262 115.700 -0.334 0.000 2.371 302 S HA -0.061 4.410 4.470 0.001 0.000 0.224 302 S C 2.128 176.622 174.600 -0.177 0.000 1.029 302 S CA 0.956 58.989 58.200 -0.279 0.000 0.978 302 S CB -0.102 62.830 63.200 -0.447 0.000 0.833 302 S HN 0.414 nan 8.310 nan 0.000 0.466 303 A N 1.592 124.302 122.820 -0.184 0.000 1.940 303 A HA -0.058 4.263 4.320 0.001 0.000 0.219 303 A C 2.021 179.570 177.584 -0.058 0.000 1.176 303 A CA 1.141 53.121 52.037 -0.094 0.000 0.631 303 A CB -0.735 18.218 19.000 -0.080 0.000 0.814 303 A HN 0.486 nan 8.150 nan 0.000 0.446 304 I N -0.450 120.078 120.570 -0.070 0.000 2.286 304 I HA -0.262 3.908 4.170 0.001 0.000 0.248 304 I C 2.437 178.557 176.117 0.006 0.000 1.115 304 I CA 1.579 62.866 61.300 -0.021 0.000 1.392 304 I CB -0.380 37.610 38.000 -0.018 0.000 1.065 304 I HN 0.447 nan 8.210 nan 0.000 0.418 305 E N 0.543 120.736 120.200 -0.012 0.000 2.150 305 E HA 0.074 4.425 4.350 0.001 0.000 0.193 305 E C 0.935 177.536 176.600 0.003 0.000 0.985 305 E CA 0.698 57.099 56.400 0.001 0.000 0.814 305 E CB 0.041 29.734 29.700 -0.011 0.000 0.752 305 E HN 0.578 nan 8.360 nan 0.000 0.466 306 G N 0.204 109.001 108.800 -0.005 0.000 2.351 306 G HA2 -0.129 3.832 3.960 0.001 0.000 0.353 306 G HA3 -0.129 3.832 3.960 0.001 0.000 0.353 306 G C -0.135 174.776 174.900 0.019 0.000 1.358 306 G CA -0.203 44.903 45.100 0.010 0.000 0.995 306 G HN -0.014 nan 8.290 nan 0.000 0.611 307 K N 0.064 120.487 120.400 0.038 0.000 2.044 307 K HA -0.200 4.121 4.320 0.001 0.000 0.210 307 K C 2.448 179.099 176.600 0.085 0.000 1.049 307 K CA 2.574 58.902 56.287 0.067 0.000 0.927 307 K CB -0.127 32.414 32.500 0.069 0.000 0.713 307 K HN 0.596 nan 8.250 nan 0.000 0.443 308 E N 0.219 120.460 120.200 0.069 0.000 2.106 308 E HA -0.161 4.190 4.350 0.001 0.000 0.192 308 E C 2.018 178.661 176.600 0.072 0.000 0.984 308 E CA 1.405 57.852 56.400 0.078 0.000 0.806 308 E CB -0.587 29.148 29.700 0.059 0.000 0.750 308 E HN 0.255 nan 8.360 nan 0.000 0.458 309 S N 0.677 116.403 115.700 0.043 0.000 2.383 309 S HA -0.140 4.331 4.470 0.001 0.000 0.229 309 S C 1.963 176.577 174.600 0.024 0.000 1.030 309 S CA 1.062 59.278 58.200 0.027 0.000 1.002 309 S CB -0.241 62.958 63.200 -0.001 0.000 0.829 309 S HN 0.273 nan 8.310 nan 0.000 0.467 310 L N 1.590 122.818 121.223 0.009 0.000 2.179 310 L HA 0.160 4.500 4.340 0.001 0.000 0.208 310 L C 2.181 179.075 176.870 0.040 0.000 1.096 310 L CA 1.757 56.570 54.840 -0.045 0.000 0.779 310 L CB -0.724 41.308 42.059 -0.046 0.000 0.922 310 L HN 0.322 nan 8.230 nan 0.000 0.443 311 E N -0.692 119.612 120.200 0.174 0.000 2.077 311 E HA -0.320 4.031 4.350 0.001 0.000 0.193 311 E C 2.010 178.731 176.600 0.201 0.000 0.989 311 E CA 1.397 57.987 56.400 0.317 0.000 0.800 311 E CB -0.131 29.794 29.700 0.374 0.000 0.746 311 E HN 0.669 nan 8.360 nan 0.000 0.452 312 Q N 0.723 120.603 119.800 0.134 0.000 2.167 312 Q HA -0.193 4.147 4.340 0.001 0.000 0.202 312 Q C 1.882 177.903 176.000 0.035 0.000 0.970 312 Q CA 1.348 57.205 55.803 0.090 0.000 0.855 312 Q CB -0.456 28.325 28.738 0.072 0.000 0.911 312 Q HN 0.326 nan 8.270 nan 0.000 0.438 313 F N 0.075 119.936 119.950 -0.150 0.000 2.069 313 F HA -0.137 4.391 4.527 0.001 0.000 0.298 313 F C 1.424 177.070 175.800 -0.257 0.000 1.113 313 F CA 1.684 59.536 58.000 -0.248 0.000 1.214 313 F CB -0.263 38.491 39.000 -0.410 0.000 0.978 313 F HN 0.148 nan 8.300 nan 0.000 0.474 314 F N 0.453 120.207 119.950 -0.327 0.000 2.186 314 F HA -0.130 4.397 4.527 0.001 0.000 0.299 314 F C 2.540 178.067 175.800 -0.455 0.000 1.090 314 F CA 1.042 58.676 58.000 -0.609 0.000 1.307 314 F CB -0.437 37.909 39.000 -1.090 0.000 1.019 314 F HN -0.186 nan 8.300 nan 0.000 0.489 315 R N 0.445 120.910 120.500 -0.060 0.000 2.105 315 R HA -0.200 4.140 4.340 0.001 0.000 0.239 315 R C 2.201 178.552 176.300 0.085 0.000 1.135 315 R CA 1.511 57.687 56.100 0.127 0.000 0.967 315 R CB -0.410 30.006 30.300 0.192 0.000 0.861 315 R HN 0.272 nan 8.270 nan 0.000 0.442 316 K N 0.789 121.177 120.400 -0.020 0.000 2.025 316 K HA -0.122 4.199 4.320 0.001 0.000 0.207 316 K C 2.036 178.620 176.600 -0.026 0.000 1.049 316 K CA 1.067 57.357 56.287 0.005 0.000 0.933 316 K CB 0.073 32.527 32.500 -0.076 0.000 0.714 316 K HN -0.013 nan 8.250 nan 0.000 0.438 317 I N 1.879 122.309 120.570 -0.233 0.000 2.163 317 I HA -0.286 3.885 4.170 0.001 0.000 0.243 317 I C 2.389 178.477 176.117 -0.048 0.000 1.085 317 I CA 1.405 62.578 61.300 -0.210 0.000 1.347 317 I CB -0.910 36.893 38.000 -0.328 0.000 1.044 317 I HN 0.253 nan 8.210 nan 0.000 0.408 318 I N -0.068 120.509 120.570 0.012 0.000 2.179 318 I HA -0.338 3.833 4.170 0.001 0.000 0.242 318 I C 2.590 178.787 176.117 0.133 0.000 1.088 318 I CA 1.279 62.624 61.300 0.074 0.000 1.357 318 I CB -0.477 37.599 38.000 0.127 0.000 1.051 318 I HN 0.079 nan 8.210 nan 0.000 0.409 319 F N 2.119 122.107 119.950 0.063 0.000 2.095 319 F HA -0.258 4.270 4.527 0.001 0.000 0.298 319 F C 2.372 178.237 175.800 0.108 0.000 1.104 319 F CA 1.901 59.975 58.000 0.122 0.000 1.232 319 F CB -0.425 38.626 39.000 0.085 0.000 0.987 319 F HN 0.063 nan 8.300 nan 0.000 0.475 320 E N 0.054 120.168 120.200 -0.143 0.000 2.077 320 E HA -0.234 4.117 4.350 0.001 0.000 0.193 320 E C 2.117 178.610 176.600 -0.177 0.000 0.989 320 E CA 1.368 57.628 56.400 -0.233 0.000 0.800 320 E CB -0.515 29.140 29.700 -0.076 0.000 0.746 320 E HN 0.396 nan 8.360 nan 0.000 0.452 321 L N 1.820 122.985 121.223 -0.097 0.000 1.989 321 L HA -0.229 4.112 4.340 0.001 0.000 0.211 321 L C 1.833 178.643 176.870 -0.100 0.000 1.071 321 L CA 1.955 56.750 54.840 -0.075 0.000 0.749 321 L CB -0.229 41.805 42.059 -0.041 0.000 0.890 321 L HN -0.081 nan 8.230 nan 0.000 0.431 322 K N -0.714 119.620 120.400 -0.110 0.000 2.147 322 K HA -0.071 4.249 4.320 0.001 0.000 0.205 322 K C 2.047 178.580 176.600 -0.112 0.000 1.049 322 K CA 1.117 57.300 56.287 -0.174 0.000 0.936 322 K CB -0.360 31.988 32.500 -0.254 0.000 0.722 322 K HN 0.488 nan 8.250 nan 0.000 0.446 323 A N 1.619 124.358 122.820 -0.134 0.000 1.898 323 A HA -0.089 4.232 4.320 0.001 0.000 0.216 323 A C 2.385 179.931 177.584 -0.062 0.000 1.181 323 A CA 1.751 53.723 52.037 -0.109 0.000 0.620 323 A CB -0.610 18.136 19.000 -0.423 0.000 0.819 323 A HN 0.315 nan 8.150 nan 0.000 0.442 324 A N -0.613 122.156 122.820 -0.085 0.000 1.969 324 A HA -0.045 4.276 4.320 0.001 0.000 0.218 324 A C 2.220 179.784 177.584 -0.033 0.000 1.169 324 A CA 1.648 53.659 52.037 -0.042 0.000 0.635 324 A CB -0.514 18.461 19.000 -0.042 0.000 0.810 324 A HN 0.537 nan 8.150 nan 0.000 0.445 325 M N -1.972 117.593 119.600 -0.059 0.000 2.132 325 M HA -0.118 4.363 4.480 0.001 0.000 0.263 325 M C 2.366 178.630 176.300 -0.060 0.000 1.065 325 M CA 1.921 57.181 55.300 -0.067 0.000 1.122 325 M CB -0.380 32.159 32.600 -0.101 0.000 1.365 325 M HN 0.476 nan 8.290 nan 0.000 0.411 326 M N 1.034 120.605 119.600 -0.049 0.000 2.065 326 M HA -0.134 4.347 4.480 0.001 0.000 0.259 326 M C 1.714 178.017 176.300 0.005 0.000 1.069 326 M CA 1.916 57.218 55.300 0.004 0.000 1.110 326 M CB -0.473 32.225 32.600 0.163 0.000 1.328 326 M HN 0.191 nan 8.290 nan 0.000 0.405 327 L N -0.700 120.542 121.223 0.032 0.000 2.552 327 L HA 0.004 4.345 4.340 0.001 0.000 0.227 327 L C 1.411 178.281 176.870 0.000 0.000 1.146 327 L CA 1.131 56.008 54.840 0.061 0.000 0.858 327 L CB -1.023 41.136 42.059 0.166 0.000 0.969 327 L HN 0.504 nan 8.230 nan 0.000 0.451 328 T N -4.713 109.831 114.554 -0.017 0.000 3.054 328 T HA 0.260 4.611 4.350 0.001 0.000 0.255 328 T C 1.325 175.998 174.700 -0.045 0.000 1.035 328 T CA 0.311 62.392 62.100 -0.031 0.000 0.941 328 T CB 0.679 69.540 68.868 -0.010 0.000 1.026 328 T HN 0.323 nan 8.240 nan 0.000 0.533 329 G N 1.415 110.182 108.800 -0.055 0.000 2.221 329 G HA2 -0.235 3.726 3.960 0.001 0.000 0.265 329 G HA3 -0.235 3.726 3.960 0.001 0.000 0.265 329 G C -0.034 174.843 174.900 -0.039 0.000 1.041 329 G CA 0.067 45.136 45.100 -0.052 0.000 0.807 329 G HN 0.677 nan 8.290 nan 0.000 0.502 330 S N -0.038 115.635 115.700 -0.044 0.000 2.423 330 S HA 0.394 4.865 4.470 0.001 0.000 0.317 330 S C 1.403 175.968 174.600 -0.058 0.000 1.065 330 S CA -0.099 58.076 58.200 -0.042 0.000 1.111 330 S CB 1.342 64.519 63.200 -0.038 0.000 0.968 330 S HN 0.711 nan 8.310 nan 0.000 0.474 331 K N 1.378 121.748 120.400 -0.050 0.000 2.296 331 K HA 0.010 4.331 4.320 0.001 0.000 0.200 331 K C -0.031 176.532 176.600 -0.061 0.000 1.048 331 K CA 0.823 57.074 56.287 -0.060 0.000 0.966 331 K CB -0.176 32.300 32.500 -0.041 0.000 0.754 331 K HN 0.608 nan 8.250 nan 0.000 0.466 332 D N -1.706 118.666 120.400 -0.047 0.000 2.692 332 D HA 0.041 4.682 4.640 0.001 0.000 0.303 332 D C 0.647 176.930 176.300 -0.028 0.000 1.278 332 D CA -0.829 53.148 54.000 -0.039 0.000 0.852 332 D CB 0.933 41.717 40.800 -0.027 0.000 1.375 332 D HN -0.245 nan 8.370 nan 0.000 0.453 333 V N 0.351 120.254 119.914 -0.018 0.000 2.407 333 V HA -0.175 3.946 4.120 0.001 0.000 0.248 333 V C 1.479 177.571 176.094 -0.002 0.000 1.055 333 V CA 2.108 64.404 62.300 -0.006 0.000 1.049 333 V CB -0.681 31.147 31.823 0.008 0.000 0.662 333 V HN 0.568 nan 8.190 nan 0.000 0.455 334 D N 0.638 121.037 120.400 -0.002 0.000 2.104 334 D HA -0.163 4.478 4.640 0.001 0.000 0.194 334 D C 2.246 178.542 176.300 -0.006 0.000 0.994 334 D CA 1.797 55.795 54.000 -0.002 0.000 0.830 334 D CB -0.315 40.484 40.800 -0.002 0.000 0.959 334 D HN 0.449 nan 8.370 nan 0.000 0.452 335 A N 0.608 123.422 122.820 -0.011 0.000 1.902 335 A HA -0.137 4.184 4.320 0.001 0.000 0.217 335 A C 2.163 179.740 177.584 -0.012 0.000 1.181 335 A CA 0.989 53.019 52.037 -0.012 0.000 0.623 335 A CB -0.696 18.294 19.000 -0.016 0.000 0.818 335 A HN 0.246 nan 8.150 nan 0.000 0.443 336 L N 0.161 121.376 121.223 -0.014 0.000 2.012 336 L HA -0.174 4.166 4.340 0.001 0.000 0.210 336 L C 2.172 179.040 176.870 -0.004 0.000 1.073 336 L CA 2.333 57.166 54.840 -0.011 0.000 0.748 336 L CB -0.600 41.451 42.059 -0.014 0.000 0.891 336 L HN 0.353 nan 8.230 nan 0.000 0.431 337 K N -0.035 120.363 120.400 -0.002 0.000 2.228 337 K HA -0.214 4.107 4.320 0.001 0.000 0.205 337 K C 1.377 177.972 176.600 -0.009 0.000 1.045 337 K CA 1.807 58.093 56.287 -0.003 0.000 0.931 337 K CB -0.224 32.274 32.500 -0.003 0.000 0.727 337 K HN 0.555 nan 8.250 nan 0.000 0.458 338 K N -0.062 120.333 120.400 -0.009 0.000 2.414 338 K HA 0.116 4.436 4.320 0.001 0.000 0.204 338 K C 0.309 176.907 176.600 -0.003 0.000 1.026 338 K CA -0.141 56.140 56.287 -0.010 0.000 1.108 338 K CB 0.701 33.193 32.500 -0.013 0.000 0.855 338 K HN -0.238 nan 8.250 nan 0.000 0.517 339 T N 1.149 115.703 114.554 0.001 0.000 2.813 339 T HA 0.083 4.433 4.350 0.001 0.000 0.297 339 T C -0.195 174.512 174.700 0.012 0.000 1.036 339 T CA -0.096 62.006 62.100 0.003 0.000 1.044 339 T CB 0.785 69.653 68.868 0.000 0.000 0.993 339 T HN 0.269 nan 8.240 nan 0.000 0.535 340 S N 2.455 118.163 115.700 0.013 0.000 2.531 340 S HA 0.405 4.875 4.470 0.001 0.000 0.279 340 S C 0.238 174.854 174.600 0.027 0.000 1.305 340 S CA -0.574 57.639 58.200 0.021 0.000 1.058 340 S CB -0.344 62.867 63.200 0.018 0.000 0.899 340 S HN 0.590 nan 8.310 nan 0.000 0.493 341 I N -0.393 120.198 120.570 0.035 0.000 3.108 341 I HA 0.834 5.005 4.170 0.001 0.000 0.312 341 I C -1.202 174.937 176.117 0.036 0.000 1.095 341 I CA -1.234 60.089 61.300 0.038 0.000 1.000 341 I CB 1.924 39.955 38.000 0.050 0.000 1.229 341 I HN 0.238 nan 8.210 nan 0.000 0.454 342 V N 3.832 123.764 119.914 0.029 0.000 2.540 342 V HA 0.497 4.617 4.120 0.001 0.000 0.302 342 V C -0.161 175.942 176.094 0.014 0.000 1.035 342 V CA -0.441 61.872 62.300 0.022 0.000 0.873 342 V CB 1.863 33.695 31.823 0.015 0.000 0.992 342 V HN 0.506 nan 8.190 nan 0.000 0.428 343 I N 5.732 126.309 120.570 0.011 0.000 2.362 343 I HA 0.505 4.676 4.170 0.001 0.000 0.289 343 I C -0.516 175.590 176.117 -0.018 0.000 0.994 343 I CA -0.239 61.057 61.300 -0.006 0.000 1.158 343 I CB 1.364 39.360 38.000 -0.008 0.000 1.315 343 I HN 0.361 nan 8.210 nan 0.000 0.451 344 L N 4.392 125.593 121.223 -0.037 0.000 2.256 344 L HA 0.785 5.125 4.340 0.001 0.000 0.261 344 L C 0.962 177.785 176.870 -0.078 0.000 1.022 344 L CA -0.583 54.229 54.840 -0.047 0.000 0.828 344 L CB 1.604 43.634 42.059 -0.048 0.000 1.374 344 L HN 0.809 nan 8.230 nan 0.000 0.436 345 G N 0.437 109.189 108.800 -0.080 0.000 2.566 345 G HA2 -0.325 3.636 3.960 0.001 0.000 0.280 345 G HA3 -0.325 3.636 3.960 0.001 0.000 0.280 345 G C 0.557 175.370 174.900 -0.145 0.000 1.225 345 G CA 0.594 45.621 45.100 -0.120 0.000 0.966 345 G HN 0.708 nan 8.290 nan 0.000 0.560 346 K N -0.367 119.871 120.400 -0.270 0.000 2.147 346 K HA 0.031 4.352 4.320 0.001 0.000 0.205 346 K C 2.642 179.147 176.600 -0.157 0.000 1.049 346 K CA 1.436 57.549 56.287 -0.290 0.000 0.936 346 K CB -0.201 31.953 32.500 -0.576 0.000 0.722 346 K HN 0.308 nan 8.250 nan 0.000 0.446 347 L N 2.139 123.206 121.223 -0.260 0.000 2.046 347 L HA -0.185 4.156 4.340 0.001 0.000 0.208 347 L C 2.271 179.203 176.870 0.104 0.000 1.077 347 L CA 1.804 56.687 54.840 0.071 0.000 0.747 347 L CB -0.370 41.697 42.059 0.015 0.000 0.896 347 L HN 0.036 nan 8.230 nan 0.000 0.432 348 K N -0.484 119.926 120.400 0.016 0.000 2.032 348 K HA -0.217 4.104 4.320 0.001 0.000 0.209 348 K C 1.919 178.557 176.600 0.062 0.000 1.048 348 K CA 1.934 58.233 56.287 0.019 0.000 0.927 348 K CB -0.183 32.311 32.500 -0.010 0.000 0.712 348 K HN 0.510 nan 8.250 nan 0.000 0.441 349 E N -0.180 120.065 120.200 0.074 0.000 2.077 349 E HA -0.216 4.135 4.350 0.001 0.000 0.193 349 E C 1.783 178.476 176.600 0.155 0.000 0.989 349 E CA 0.933 57.386 56.400 0.089 0.000 0.800 349 E CB -0.283 29.450 29.700 0.055 0.000 0.746 349 E HN 0.504 nan 8.360 nan 0.000 0.452 350 W N 1.828 123.158 121.300 0.051 0.000 2.315 350 W HA -0.258 4.403 4.660 0.002 0.000 0.323 350 W C 2.324 178.856 176.519 0.021 0.000 1.233 350 W CA 2.209 59.597 57.345 0.071 0.000 1.267 350 W CB -0.575 28.975 29.460 0.149 0.000 1.160 350 W HN 0.045 nan 8.180 nan 0.000 0.474 351 A N 0.591 123.607 122.820 0.328 0.000 1.865 351 A HA -0.275 4.046 4.320 0.001 0.000 0.217 351 A C 1.898 179.475 177.584 -0.013 0.000 1.191 351 A CA 2.238 54.338 52.037 0.104 0.000 0.623 351 A CB -1.154 17.818 19.000 -0.048 0.000 0.826 351 A HN 0.503 nan 8.150 nan 0.000 0.444 352 E N -1.698 118.504 120.200 0.004 0.000 2.049 352 E HA -0.264 4.087 4.350 0.001 0.000 0.198 352 E C 1.937 178.512 176.600 -0.040 0.000 1.007 352 E CA 1.718 58.105 56.400 -0.022 0.000 0.809 352 E CB -0.392 29.313 29.700 0.008 0.000 0.749 352 E HN 0.747 nan 8.360 nan 0.000 0.450 353 Y N 1.002 121.236 120.300 -0.110 0.000 2.256 353 Y HA -0.184 4.367 4.550 0.001 0.000 0.288 353 Y C 1.880 177.674 175.900 -0.177 0.000 1.155 353 Y CA 1.382 59.389 58.100 -0.154 0.000 1.203 353 Y CB 0.305 38.637 38.460 -0.213 0.000 0.980 353 Y HN -0.142 nan 8.280 nan 0.000 0.530 354 R N -0.330 120.116 120.500 -0.091 0.000 2.310 354 R HA 0.175 4.515 4.340 0.001 0.000 0.202 354 R C 1.319 177.553 176.300 -0.110 0.000 0.933 354 R CA 0.741 56.776 56.100 -0.109 0.000 1.054 354 R CB -0.296 29.948 30.300 -0.094 0.000 0.985 354 R HN 0.515 nan 8.270 nan 0.000 0.489 355 G N 1.371 110.087 108.800 -0.140 0.000 2.141 355 G HA2 -0.245 3.716 3.960 0.001 0.000 0.242 355 G HA3 -0.245 3.716 3.960 0.001 0.000 0.242 355 G C 0.209 175.026 174.900 -0.138 0.000 0.982 355 G CA -0.269 44.767 45.100 -0.108 0.000 0.662 355 G HN 0.307 nan 8.290 nan 0.000 0.527 356 I N 1.790 122.193 120.570 -0.279 0.000 2.311 356 I HA 0.094 4.265 4.170 0.001 0.000 0.297 356 I C 0.682 176.627 176.117 -0.286 0.000 1.131 356 I CA -0.684 60.259 61.300 -0.595 0.000 1.289 356 I CB 0.298 37.890 38.000 -0.679 0.000 1.446 356 I HN 0.091 nan 8.210 nan 0.000 0.524 357 N N 6.598 125.227 118.700 -0.119 0.000 2.429 357 N HA 0.020 4.761 4.740 0.001 0.000 0.271 357 N C 0.839 176.381 175.510 0.053 0.000 1.272 357 N CA 0.340 53.399 53.050 0.015 0.000 0.921 357 N CB 0.897 39.445 38.487 0.101 0.000 1.128 357 N HN 0.556 nan 8.380 nan 0.000 0.481 358 L N 2.188 123.431 121.223 0.033 0.000 2.201 358 L HA -0.146 4.195 4.340 0.001 0.000 0.212 358 L C 2.097 179.048 176.870 0.134 0.000 1.105 358 L CA 0.645 55.535 54.840 0.084 0.000 0.775 358 L CB -0.218 41.863 42.059 0.037 0.000 0.913 358 L HN 0.480 nan 8.230 nan 0.000 0.440 359 S N 0.656 116.414 115.700 0.098 0.000 2.348 359 S HA -0.188 4.283 4.470 0.001 0.000 0.221 359 S C 1.945 176.611 174.600 0.110 0.000 1.033 359 S CA 1.717 59.969 58.200 0.088 0.000 1.010 359 S CB -0.339 62.898 63.200 0.061 0.000 0.891 359 S HN 0.504 nan 8.310 nan 0.000 0.442 360 I N 0.037 120.695 120.570 0.146 0.000 2.493 360 I HA -0.088 4.083 4.170 0.001 0.000 0.254 360 I C 1.971 178.220 176.117 0.220 0.000 1.160 360 I CA 1.155 62.554 61.300 0.166 0.000 1.445 360 I CB -0.486 37.620 38.000 0.176 0.000 1.086 360 I HN 0.277 nan 8.210 nan 0.000 0.433 361 Y N 1.854 122.268 120.300 0.190 0.000 2.128 361 Y HA -0.263 4.287 4.550 0.001 0.000 0.284 361 Y C 2.481 178.446 175.900 0.108 0.000 1.154 361 Y CA 2.134 60.347 58.100 0.188 0.000 1.149 361 Y CB -0.109 38.394 38.460 0.072 0.000 0.976 361 Y HN 0.217 nan 8.280 nan 0.000 0.505 362 E N 0.572 120.802 120.200 0.050 0.000 2.070 362 E HA -0.247 4.104 4.350 0.001 0.000 0.197 362 E C 2.005 178.555 176.600 -0.082 0.000 1.004 362 E CA 1.683 58.070 56.400 -0.021 0.000 0.805 362 E CB -0.251 29.478 29.700 0.049 0.000 0.744 362 E HN 0.414 nan 8.360 nan 0.000 0.451 363 K N 0.294 120.669 120.400 -0.042 0.000 1.991 363 K HA -0.124 4.197 4.320 0.001 0.000 0.212 363 K C 2.258 178.802 176.600 -0.093 0.000 1.049 363 K CA 1.099 57.358 56.287 -0.047 0.000 0.932 363 K CB -0.732 31.758 32.500 -0.016 0.000 0.717 363 K HN -0.048 nan 8.250 nan 0.000 0.441 364 V N 1.683 121.520 119.914 -0.127 0.000 2.332 364 V HA -0.293 3.828 4.120 0.001 0.000 0.248 364 V C 2.325 178.292 176.094 -0.211 0.000 1.055 364 V CA 2.301 64.506 62.300 -0.157 0.000 1.038 364 V CB -0.645 31.090 31.823 -0.147 0.000 0.651 364 V HN 0.400 nan 8.190 nan 0.000 0.450 365 R N 1.050 121.329 120.500 -0.367 0.000 2.115 365 R HA -0.114 4.227 4.340 0.001 0.000 0.230 365 R C 1.913 178.125 176.300 -0.148 0.000 1.111 365 R CA 1.514 57.426 56.100 -0.313 0.000 0.976 365 R CB -0.452 29.566 30.300 -0.471 0.000 0.870 365 R HN 0.363 nan 8.270 nan 0.000 0.445 366 K N 0.273 120.601 120.400 -0.121 0.000 2.487 366 K HA 0.106 4.426 4.320 0.001 0.000 0.192 366 K C 0.058 176.628 176.600 -0.049 0.000 1.027 366 K CA 0.145 56.394 56.287 -0.065 0.000 1.054 366 K CB 0.269 32.740 32.500 -0.048 0.000 0.824 366 K HN 0.150 nan 8.250 nan 0.000 0.510 367 R N 0.000 120.466 120.500 -0.057 0.000 2.786 367 R HA 0.000 4.341 4.340 0.001 0.000 0.208 367 R CA 0.000 56.077 56.100 -0.038 0.000 0.921 367 R CB 0.000 30.278 30.300 -0.037 0.000 0.687 367 R HN 0.000 nan 8.270 nan 0.000 0.535