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 3gyr_1_E DATA FIRST_RESID 37 DATA SEQUENCE APGELTPFAA PLTVPPVLRP ASDEVTRETE IALRPTWVRL HPQLPPTLMW DATA SEQUENCE GYDGQVPGPT IEVRRGQRVR IAWTNRIPKG SEYPVTSVEV PLGPPGTPAP DATA SEQUENCE NTEPGRGGVE PNKDVAALPA WSVTHLHGAQ TGGGNDGWAD NAVGFGDAQL DATA SEQUENCE SEYPNDHQAT QWWYHDHAMN ITRWNVMAGL YGTYLVRDDE EDALGLPSGD DATA SEQUENCE REIPLLIADR NLDTDEDGRL NGRLLHKTVI VQQSNPETGK PVSIPFFGPY DATA SEQUENCE TTVNGRIWPY ADVDDGWYRL RLVNASNARI YNLVLIDEDD RPVPGVVHQI DATA SEQUENCE GSDGGLLPRP VPVDFDDTLP VLSAAPAERF DLLVDFRALG GRRLRLVDKG DATA SEQUENCE PGAPAGTPDP LGGVRYPEVM EFRVRETCEE DSFALPEVLS GSFRRMSHDI DATA SEQUENCE PHGHRLIVLT PPGTKGSGGH PEIWEMAEVE XXXXXQVPAE GVIQVTGADG DATA SEQUENCE RTKTYRRTAR TFNDGLGFTI GEGTHEQWTF LNLSPILHPM HIHLADFQVL DATA SEQUENCE GRDAYDASGF DLALGGTRTP VRLDPDTPVP LAPNELGHKD VFQVPGPQGL DATA SEQUENCE RVMGKFDGAY GRFMYHCHLL EHEDMGMMRP FVVMPPEALK FD 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 37 A HA 0.000 nan 4.320 nan 0.000 0.244 37 A C 0.000 177.604 177.584 0.033 0.000 1.274 37 A CA 0.000 52.058 52.037 0.034 0.000 0.836 37 A CB 0.000 19.032 19.000 0.053 0.000 0.831 38 P HA 0.398 nan 4.420 nan 0.000 0.267 38 P C 0.866 178.187 177.300 0.036 0.000 1.205 38 P CA 1.626 64.742 63.100 0.027 0.000 0.765 38 P CB 0.671 32.384 31.700 0.023 0.000 0.828 39 G N 1.828 110.646 108.800 0.030 0.000 2.147 39 G HA2 -0.226 3.735 3.960 0.001 0.000 0.244 39 G HA3 -0.226 3.735 3.960 0.001 0.000 0.244 39 G C -0.128 174.800 174.900 0.048 0.000 1.005 39 G CA -0.135 44.985 45.100 0.033 0.000 0.713 39 G HN 0.629 nan 8.290 nan 0.000 0.515 40 E N -0.616 119.608 120.200 0.040 0.000 2.195 40 E HA 0.577 4.928 4.350 0.001 0.000 0.271 40 E C 0.643 177.232 176.600 -0.018 0.000 0.923 40 E CA -0.932 55.491 56.400 0.038 0.000 0.790 40 E CB 1.325 31.059 29.700 0.058 0.000 1.155 40 E HN 0.274 nan 8.360 nan 0.000 0.402 41 L N 1.915 123.103 121.223 -0.059 0.000 2.426 41 L HA 0.167 4.508 4.340 0.001 0.000 0.271 41 L C 0.378 177.233 176.870 -0.024 0.000 1.169 41 L CA -0.127 54.608 54.840 -0.176 0.000 0.836 41 L CB 0.366 42.126 42.059 -0.498 0.000 1.112 41 L HN 0.465 nan 8.230 nan 0.000 0.465 42 T N 4.253 118.833 114.554 0.045 0.000 2.752 42 T HA 0.199 4.550 4.350 0.001 0.000 0.295 42 T C -2.163 172.644 174.700 0.177 0.000 0.923 42 T CA -0.940 61.212 62.100 0.087 0.000 1.112 42 T CB 0.444 69.380 68.868 0.114 0.000 0.884 42 T HN 0.396 nan 8.240 nan 0.000 0.525 43 P HA 0.158 nan 4.420 nan 0.000 0.272 43 P C -0.018 177.095 177.300 -0.312 0.000 1.223 43 P CA -0.379 62.496 63.100 -0.375 0.000 0.784 43 P CB 0.088 30.977 31.700 -1.352 0.000 0.923 44 F N -1.589 118.537 119.950 0.292 0.000 3.071 44 F HA -0.234 4.293 4.527 0.001 0.000 0.295 44 F C 1.238 177.202 175.800 0.273 0.000 0.919 44 F CA 0.149 58.298 58.000 0.249 0.000 1.050 44 F CB -2.410 36.672 39.000 0.137 0.000 1.040 44 F HN 0.385 nan 8.300 nan 0.000 0.692 45 A N -0.541 122.459 122.820 0.301 0.000 2.095 45 A HA 0.674 4.995 4.320 0.001 0.000 0.212 45 A C 1.169 178.845 177.584 0.153 0.000 1.162 45 A CA 0.924 53.060 52.037 0.166 0.000 0.753 45 A CB 0.207 19.208 19.000 0.001 0.000 0.840 45 A HN 0.916 nan 8.150 nan 0.000 0.468 46 A N 0.294 123.156 122.820 0.070 0.000 2.435 46 A HA 0.717 5.037 4.320 0.001 0.000 0.304 46 A C -3.080 174.238 177.584 -0.443 0.000 1.064 46 A CA -1.974 50.002 52.037 -0.102 0.000 0.727 46 A CB 1.220 20.114 19.000 -0.176 0.000 1.284 46 A HN 0.068 nan 8.150 nan 0.000 0.415 47 P HA 0.282 nan 4.420 nan 0.000 0.274 47 P C -0.280 176.755 177.300 -0.441 0.000 1.231 47 P CA -0.298 62.239 63.100 -0.938 0.000 0.790 47 P CB 0.734 32.111 31.700 -0.537 0.000 0.951 48 L N 2.901 123.901 121.223 -0.371 0.000 2.485 48 L HA 0.173 4.514 4.340 0.001 0.000 0.275 48 L C 0.509 177.309 176.870 -0.118 0.000 1.207 48 L CA 1.177 55.908 54.840 -0.182 0.000 0.855 48 L CB -0.129 41.845 42.059 -0.143 0.000 1.114 48 L HN 0.600 nan 8.230 nan 0.000 0.485 49 T N 2.275 116.787 114.554 -0.069 0.000 2.940 49 T HA 0.813 5.164 4.350 0.001 0.000 0.288 49 T C -0.354 174.341 174.700 -0.009 0.000 1.045 49 T CA -0.284 61.795 62.100 -0.035 0.000 1.018 49 T CB 1.627 70.478 68.868 -0.028 0.000 1.151 49 T HN 0.787 nan 8.240 nan 0.000 0.529 50 V N -2.187 117.731 119.914 0.007 0.000 2.876 50 V HA 0.783 4.903 4.120 0.001 0.000 0.312 50 V C -3.111 172.997 176.094 0.022 0.000 1.085 50 V CA -2.647 59.666 62.300 0.022 0.000 0.945 50 V CB 0.879 32.724 31.823 0.036 0.000 1.017 50 V HN 0.800 nan 8.190 nan 0.000 0.428 51 P HA 0.351 nan 4.420 nan 0.000 0.272 51 P C -2.617 174.708 177.300 0.041 0.000 1.223 51 P CA -0.877 62.244 63.100 0.035 0.000 0.784 51 P CB -0.157 31.568 31.700 0.043 0.000 0.923 52 P HA -0.007 nan 4.420 nan 0.000 0.269 52 P C -0.776 176.548 177.300 0.041 0.000 1.215 52 P CA 0.229 63.352 63.100 0.038 0.000 0.780 52 P CB 0.399 32.123 31.700 0.040 0.000 0.898 53 V N 3.407 123.337 119.914 0.026 0.000 2.439 53 V HA 0.222 4.343 4.120 0.001 0.000 0.282 53 V C 0.428 176.524 176.094 0.003 0.000 1.039 53 V CA -0.440 61.869 62.300 0.016 0.000 0.913 53 V CB 0.969 32.795 31.823 0.005 0.000 0.983 53 V HN 0.399 nan 8.190 nan 0.000 0.460 54 L N 6.382 127.600 121.223 -0.008 0.000 2.333 54 L HA 0.602 4.943 4.340 0.001 0.000 0.280 54 L C -0.095 176.736 176.870 -0.064 0.000 1.004 54 L CA -0.206 54.616 54.840 -0.030 0.000 0.820 54 L CB 1.553 43.594 42.059 -0.030 0.000 1.247 54 L HN 0.562 nan 8.230 nan 0.000 0.416 55 R N 6.186 126.650 120.500 -0.060 0.000 2.352 55 R HA 0.381 4.721 4.340 0.001 0.000 0.304 55 R C -1.755 174.506 176.300 -0.065 0.000 1.104 55 R CA -1.223 54.833 56.100 -0.073 0.000 0.991 55 R CB 0.982 31.250 30.300 -0.055 0.000 1.140 55 R HN 0.535 nan 8.270 nan 0.000 0.540 56 P HA 0.014 nan 4.420 nan 0.000 0.240 56 P C 0.115 177.391 177.300 -0.040 0.000 1.190 56 P CA 0.225 63.286 63.100 -0.064 0.000 0.781 56 P CB 0.419 32.074 31.700 -0.076 0.000 0.931 57 A N 1.113 123.913 122.820 -0.033 0.000 2.524 57 A HA 0.387 4.707 4.320 0.001 0.000 0.250 57 A C 0.734 178.309 177.584 -0.015 0.000 1.078 57 A CA 0.293 52.321 52.037 -0.014 0.000 0.761 57 A CB -0.307 18.687 19.000 -0.010 0.000 1.012 57 A HN 0.392 nan 8.150 nan 0.000 0.500 58 S N 0.934 116.628 115.700 -0.010 0.000 2.704 58 S HA 0.501 4.972 4.470 0.001 0.000 0.296 58 S C 0.134 174.730 174.600 -0.006 0.000 1.138 58 S CA -0.439 57.755 58.200 -0.011 0.000 0.875 58 S CB 1.349 64.539 63.200 -0.017 0.000 1.151 58 S HN 0.497 nan 8.310 nan 0.000 0.500 59 D N 0.797 121.193 120.400 -0.007 0.000 2.149 59 D HA 0.047 4.688 4.640 0.001 0.000 0.201 59 D C -0.042 176.256 176.300 -0.004 0.000 0.972 59 D CA 1.135 55.133 54.000 -0.004 0.000 0.835 59 D CB -0.002 40.795 40.800 -0.004 0.000 0.966 59 D HN 0.713 nan 8.370 nan 0.000 0.476 60 E N 0.752 120.948 120.200 -0.007 0.000 2.014 60 E HA 0.133 4.484 4.350 0.001 0.000 0.275 60 E C 0.759 177.353 176.600 -0.011 0.000 0.997 60 E CA -0.272 56.123 56.400 -0.009 0.000 0.804 60 E CB 2.609 32.303 29.700 -0.011 0.000 1.090 60 E HN -0.193 nan 8.360 nan 0.000 0.401 61 V N 3.695 123.606 119.914 -0.006 0.000 2.568 61 V HA -0.233 3.888 4.120 0.001 0.000 0.253 61 V C 2.074 178.158 176.094 -0.018 0.000 1.072 61 V CA 2.655 64.951 62.300 -0.007 0.000 1.084 61 V CB -0.392 31.432 31.823 0.002 0.000 0.676 61 V HN 0.864 nan 8.190 nan 0.000 0.469 62 T N -1.858 112.685 114.554 -0.018 0.000 3.118 62 T HA -0.057 4.294 4.350 0.001 0.000 0.260 62 T C 1.193 175.874 174.700 -0.030 0.000 1.139 62 T CA 0.187 62.273 62.100 -0.024 0.000 1.085 62 T CB -0.406 68.451 68.868 -0.019 0.000 0.934 62 T HN 0.529 nan 8.240 nan 0.000 0.518 63 R N 1.884 122.366 120.500 -0.030 0.000 2.296 63 R HA 0.248 4.588 4.340 0.001 0.000 0.327 63 R C -0.675 175.596 176.300 -0.048 0.000 1.137 63 R CA -0.342 55.737 56.100 -0.036 0.000 1.020 63 R CB 0.183 30.466 30.300 -0.029 0.000 1.110 63 R HN 0.437 nan 8.270 nan 0.000 0.499 64 E N 1.663 121.826 120.200 -0.062 0.000 2.404 64 E HA 0.032 4.383 4.350 0.001 0.000 0.261 64 E C -0.477 176.064 176.600 -0.097 0.000 1.074 64 E CA 0.228 56.575 56.400 -0.088 0.000 0.917 64 E CB 0.950 30.588 29.700 -0.103 0.000 0.965 64 E HN 0.419 nan 8.360 nan 0.000 0.433 65 T N 2.215 116.691 114.554 -0.130 0.000 2.728 65 T HA 0.069 4.419 4.350 0.001 0.000 0.296 65 T C -0.151 174.437 174.700 -0.185 0.000 0.940 65 T CA -0.377 61.639 62.100 -0.140 0.000 1.013 65 T CB 0.509 69.285 68.868 -0.153 0.000 0.912 65 T HN 0.380 nan 8.240 nan 0.000 0.484 66 E N 4.214 124.335 120.200 -0.132 0.000 2.290 66 E HA 0.223 4.574 4.350 0.001 0.000 0.277 66 E C -0.731 175.798 176.600 -0.119 0.000 1.035 66 E CA -0.345 55.980 56.400 -0.125 0.000 0.873 66 E CB 0.439 30.097 29.700 -0.070 0.000 1.029 66 E HN 0.563 nan 8.360 nan 0.000 0.419 67 I N 4.185 124.670 120.570 -0.141 0.000 2.359 67 I HA 0.321 4.492 4.170 0.001 0.000 0.284 67 I C -0.244 175.963 176.117 0.151 0.000 1.018 67 I CA -0.712 60.581 61.300 -0.012 0.000 1.173 67 I CB 1.463 39.395 38.000 -0.114 0.000 1.326 67 I HN 0.493 nan 8.210 nan 0.000 0.462 68 A N 7.540 130.438 122.820 0.131 0.000 2.260 68 A HA 0.664 4.985 4.320 0.001 0.000 0.308 68 A C -0.481 177.182 177.584 0.131 0.000 1.254 68 A CA -0.499 51.604 52.037 0.110 0.000 0.874 68 A CB 0.345 19.377 19.000 0.054 0.000 1.153 68 A HN 0.603 nan 8.150 nan 0.000 0.527 69 L N 3.616 124.895 121.223 0.093 0.000 2.410 69 L HA 0.375 4.716 4.340 0.001 0.000 0.273 69 L C 0.764 177.592 176.870 -0.071 0.000 1.144 69 L CA 0.974 55.795 54.840 -0.032 0.000 0.863 69 L CB 0.137 42.110 42.059 -0.142 0.000 1.140 69 L HN 0.746 nan 8.230 nan 0.000 0.463 70 R N 3.969 124.434 120.500 -0.060 0.000 2.651 70 R HA 0.563 4.904 4.340 0.001 0.000 0.278 70 R C -2.755 173.529 176.300 -0.027 0.000 1.010 70 R CA -1.996 54.078 56.100 -0.043 0.000 0.896 70 R CB 1.415 31.733 30.300 0.029 0.000 1.211 70 R HN 0.265 nan 8.270 nan 0.000 0.456 71 P HA 0.005 nan 4.420 nan 0.000 0.269 71 P C -0.452 176.870 177.300 0.038 0.000 1.215 71 P CA 0.150 63.320 63.100 0.117 0.000 0.780 71 P CB 1.051 32.820 31.700 0.114 0.000 0.898 72 T N 1.024 115.544 114.554 -0.056 0.000 2.853 72 T HA 0.511 4.861 4.350 0.001 0.000 0.311 72 T C -2.079 172.490 174.700 -0.218 0.000 1.307 72 T CA -0.565 61.513 62.100 -0.036 0.000 1.019 72 T CB 0.508 69.396 68.868 0.035 0.000 1.264 72 T HN 0.217 nan 8.240 nan 0.000 0.497 73 W N 2.720 124.040 121.300 0.033 0.000 2.376 73 W HA 0.664 5.325 4.660 0.001 0.000 0.312 73 W C -0.707 175.815 176.519 0.005 0.000 1.060 73 W CA -0.575 56.778 57.345 0.012 0.000 1.221 73 W CB 1.546 31.011 29.460 0.007 0.000 1.281 73 W HN 0.400 nan 8.180 nan 0.000 0.456 74 V N 4.145 124.164 119.914 0.175 0.000 2.448 74 V HA 0.387 4.508 4.120 0.001 0.000 0.295 74 V C -0.140 176.009 176.094 0.092 0.000 1.025 74 V CA -1.288 61.068 62.300 0.093 0.000 0.859 74 V CB 1.656 33.495 31.823 0.027 0.000 0.988 74 V HN 0.281 nan 8.190 nan 0.000 0.431 75 R N 3.697 124.235 120.500 0.063 0.000 2.419 75 R HA 0.394 4.735 4.340 0.001 0.000 0.305 75 R C 0.812 177.116 176.300 0.006 0.000 1.242 75 R CA -0.004 56.119 56.100 0.038 0.000 1.105 75 R CB -0.254 30.058 30.300 0.020 0.000 1.116 75 R HN 0.774 nan 8.270 nan 0.000 0.523 76 L N 1.397 122.620 121.223 0.001 0.000 2.127 76 L HA -0.086 4.254 4.340 0.001 0.000 0.211 76 L C 0.823 177.696 176.870 0.006 0.000 1.089 76 L CA 1.141 55.967 54.840 -0.024 0.000 0.757 76 L CB -0.249 41.767 42.059 -0.071 0.000 0.899 76 L HN 0.611 nan 8.230 nan 0.000 0.434 77 H N -2.505 116.509 119.070 -0.093 0.000 3.112 77 H HA 0.128 4.685 4.556 0.002 0.000 0.347 77 H C -2.236 173.062 175.328 -0.049 0.000 1.188 77 H CA -1.083 54.913 56.048 -0.085 0.000 1.240 77 H CB 2.321 31.995 29.762 -0.147 0.000 1.920 77 H HN -0.324 nan 8.280 nan 0.000 0.535 78 P HA -0.110 nan 4.420 nan 0.000 0.217 78 P C 0.670 178.017 177.300 0.078 0.000 1.148 78 P CA 1.402 64.465 63.100 -0.061 0.000 0.828 78 P CB 0.297 31.928 31.700 -0.115 0.000 0.783 79 Q N -1.265 118.704 119.800 0.283 0.000 2.365 79 Q HA 0.151 4.492 4.340 0.001 0.000 0.203 79 Q C 0.306 176.355 176.000 0.081 0.000 0.929 79 Q CA 0.047 55.955 55.803 0.176 0.000 0.948 79 Q CB -0.155 28.683 28.738 0.166 0.000 1.043 79 Q HN 0.310 nan 8.270 nan 0.000 0.505 80 L N 1.265 122.534 121.223 0.078 0.000 2.322 80 L HA 0.510 4.851 4.340 0.001 0.000 0.269 80 L C -2.145 174.734 176.870 0.015 0.000 1.012 80 L CA -2.588 52.258 54.840 0.009 0.000 0.815 80 L CB 1.064 43.107 42.059 -0.027 0.000 1.295 80 L HN -0.093 nan 8.230 nan 0.000 0.438 81 P HA 0.216 nan 4.420 nan 0.000 0.272 81 P C -2.693 174.639 177.300 0.054 0.000 1.240 81 P CA -1.432 61.676 63.100 0.014 0.000 0.791 81 P CB -0.312 31.394 31.700 0.009 0.000 0.978 82 P HA 0.108 nan 4.420 nan 0.000 0.268 82 P C -0.361 177.154 177.300 0.358 0.000 1.208 82 P CA 0.609 63.833 63.100 0.206 0.000 0.777 82 P CB 0.025 31.840 31.700 0.192 0.000 0.875 83 T N 2.784 117.519 114.554 0.302 0.000 2.792 83 T HA 0.333 4.684 4.350 0.001 0.000 0.280 83 T C -0.254 174.361 174.700 -0.141 0.000 0.990 83 T CA -0.488 61.683 62.100 0.118 0.000 0.960 83 T CB 0.434 69.297 68.868 -0.008 0.000 0.939 83 T HN 0.175 nan 8.240 nan 0.000 0.439 84 L N 5.172 126.035 121.223 -0.600 0.000 2.455 84 L HA 0.477 4.817 4.340 0.001 0.000 0.272 84 L C -0.489 176.015 176.870 -0.611 0.000 1.174 84 L CA 0.902 55.057 54.840 -1.142 0.000 0.869 84 L CB -0.360 41.004 42.059 -1.159 0.000 1.130 84 L HN 0.668 nan 8.230 nan 0.000 0.474 85 M N 3.531 122.829 119.600 -0.505 0.000 2.664 85 M HA 0.341 4.822 4.480 0.001 0.000 0.279 85 M C -1.616 174.611 176.300 -0.121 0.000 1.275 85 M CA -0.628 54.474 55.300 -0.330 0.000 0.829 85 M CB 2.120 34.621 32.600 -0.165 0.000 1.727 85 M HN 0.398 nan 8.290 nan 0.000 0.459 86 W N 0.857 122.027 121.300 -0.217 0.000 2.429 86 W HA 0.714 5.374 4.660 0.001 0.000 0.314 86 W C -0.048 176.377 176.519 -0.157 0.000 1.062 86 W CA -1.063 56.174 57.345 -0.181 0.000 1.211 86 W CB 1.355 30.705 29.460 -0.182 0.000 1.305 86 W HN 0.679 nan 8.180 nan 0.000 0.476 87 G N 2.076 110.923 108.800 0.079 0.000 2.524 87 G HA2 0.541 4.502 3.960 0.001 0.000 0.310 87 G HA3 0.541 4.502 3.960 0.001 0.000 0.310 87 G C -1.996 172.921 174.900 0.029 0.000 1.279 87 G CA -0.721 44.401 45.100 0.036 0.000 0.974 87 G HN 0.188 nan 8.290 nan 0.000 0.484 88 Y N 1.084 121.489 120.300 0.175 0.000 2.526 88 Y HA 0.128 4.679 4.550 0.001 0.000 0.330 88 Y C 1.013 177.012 175.900 0.164 0.000 1.156 88 Y CA 0.596 58.832 58.100 0.228 0.000 1.419 88 Y CB 0.746 39.443 38.460 0.394 0.000 1.250 88 Y HN 0.634 nan 8.280 nan 0.000 0.540 89 D N 2.274 122.843 120.400 0.282 0.000 2.860 89 D HA -0.207 4.433 4.640 0.001 0.000 0.229 89 D C 1.285 177.662 176.300 0.128 0.000 1.169 89 D CA 1.783 55.882 54.000 0.165 0.000 0.737 89 D CB -1.220 39.667 40.800 0.145 0.000 1.080 89 D HN 1.073 nan 8.370 nan 0.000 0.424 90 G N -1.140 107.730 108.800 0.117 0.000 2.168 90 G HA2 -0.341 3.620 3.960 0.001 0.000 0.257 90 G HA3 -0.341 3.620 3.960 0.001 0.000 0.257 90 G C 0.043 174.995 174.900 0.087 0.000 0.997 90 G CA 0.524 45.677 45.100 0.088 0.000 0.708 90 G HN 0.406 nan 8.290 nan 0.000 0.520 91 Q N -0.664 119.200 119.800 0.106 0.000 2.309 91 Q HA 0.686 5.027 4.340 0.001 0.000 0.264 91 Q C -0.328 175.706 176.000 0.056 0.000 1.008 91 Q CA -0.688 55.164 55.803 0.082 0.000 0.853 91 Q CB 2.672 31.468 28.738 0.097 0.000 1.314 91 Q HN 0.350 nan 8.270 nan 0.000 0.448 92 V N 3.131 123.048 119.914 0.005 0.000 2.443 92 V HA 0.350 4.470 4.120 0.001 0.000 0.293 92 V C -2.231 173.798 176.094 -0.108 0.000 1.021 92 V CA -1.691 60.562 62.300 -0.078 0.000 0.848 92 V CB 1.726 33.524 31.823 -0.042 0.000 0.998 92 V HN 0.603 nan 8.190 nan 0.000 0.424 93 P HA 0.249 nan 4.420 nan 0.000 0.273 93 P C 0.568 177.804 177.300 -0.107 0.000 1.250 93 P CA 0.134 62.991 63.100 -0.404 0.000 0.793 93 P CB 0.513 31.970 31.700 -0.405 0.000 1.011 94 G N 1.045 109.846 108.800 0.000 0.000 2.732 94 G HA2 0.207 4.167 3.960 0.001 0.000 0.244 94 G HA3 0.207 4.167 3.960 0.001 0.000 0.244 94 G C -2.407 172.636 174.900 0.238 0.000 1.226 94 G CA -0.702 44.569 45.100 0.285 0.000 0.860 94 G HN 0.334 nan 8.290 nan 0.000 0.583 95 P HA 0.113 nan 4.420 nan 0.000 0.267 95 P C 0.177 177.620 177.300 0.239 0.000 1.200 95 P CA 0.156 63.372 63.100 0.192 0.000 0.772 95 P CB 0.388 32.173 31.700 0.142 0.000 0.855 96 T N 4.064 118.707 114.554 0.149 0.000 2.751 96 T HA 0.217 4.568 4.350 0.001 0.000 0.290 96 T C 0.658 175.407 174.700 0.082 0.000 0.919 96 T CA 0.084 62.270 62.100 0.142 0.000 1.136 96 T CB -0.662 68.255 68.868 0.082 0.000 0.875 96 T HN 0.187 nan 8.240 nan 0.000 0.532 97 I N 3.393 124.011 120.570 0.081 0.000 2.441 97 I HA 0.263 4.433 4.170 0.001 0.000 0.287 97 I C 0.743 176.697 176.117 -0.271 0.000 1.049 97 I CA -0.181 61.036 61.300 -0.138 0.000 1.381 97 I CB 0.810 38.665 38.000 -0.241 0.000 1.409 97 I HN 0.551 nan 8.210 nan 0.000 0.523 98 E N 6.353 126.405 120.200 -0.245 0.000 2.199 98 E HA 0.624 4.974 4.350 0.001 0.000 0.265 98 E C -1.400 175.062 176.600 -0.229 0.000 0.882 98 E CA -0.659 55.607 56.400 -0.222 0.000 0.759 98 E CB 2.042 31.674 29.700 -0.114 0.000 1.148 98 E HN 0.465 nan 8.360 nan 0.000 0.412 99 V N 0.868 120.642 119.914 -0.234 0.000 3.130 99 V HA 0.671 4.792 4.120 0.001 0.000 0.310 99 V C -0.772 175.271 176.094 -0.084 0.000 1.158 99 V CA -1.162 61.054 62.300 -0.140 0.000 1.029 99 V CB 1.949 33.701 31.823 -0.117 0.000 1.057 99 V HN 0.612 nan 8.190 nan 0.000 0.436 100 R N 1.001 121.478 120.500 -0.038 0.000 2.474 100 R HA 0.512 4.853 4.340 0.001 0.000 0.295 100 R C 0.026 176.331 176.300 0.008 0.000 0.980 100 R CA -0.869 55.218 56.100 -0.022 0.000 0.934 100 R CB 1.559 31.851 30.300 -0.014 0.000 1.101 100 R HN 0.917 nan 8.270 nan 0.000 0.469 101 R N 0.833 121.336 120.500 0.006 0.000 2.486 101 R HA -0.145 4.196 4.340 0.001 0.000 0.304 101 R C 0.620 176.950 176.300 0.049 0.000 0.913 101 R CA 1.791 57.912 56.100 0.035 0.000 1.124 101 R CB -0.248 30.062 30.300 0.016 0.000 0.891 101 R HN 0.940 nan 8.270 nan 0.000 0.410 102 G N 2.713 111.562 108.800 0.082 0.000 2.213 102 G HA2 -0.284 3.677 3.960 0.001 0.000 0.236 102 G HA3 -0.284 3.677 3.960 0.001 0.000 0.236 102 G C -0.172 174.772 174.900 0.073 0.000 0.991 102 G CA 0.144 45.289 45.100 0.075 0.000 0.629 102 G HN 0.652 nan 8.290 nan 0.000 0.517 103 Q N 1.107 120.950 119.800 0.071 0.000 2.359 103 Q HA 0.272 4.613 4.340 0.001 0.000 0.249 103 Q C 0.755 176.814 176.000 0.098 0.000 1.181 103 Q CA -0.236 55.606 55.803 0.065 0.000 0.897 103 Q CB 0.369 29.132 28.738 0.042 0.000 1.424 103 Q HN 0.439 nan 8.270 nan 0.000 0.478 104 R N 2.116 122.670 120.500 0.089 0.000 2.458 104 R HA 0.127 4.468 4.340 0.001 0.000 0.303 104 R C -0.984 175.370 176.300 0.091 0.000 1.013 104 R CA 0.133 56.293 56.100 0.100 0.000 1.026 104 R CB 0.373 30.715 30.300 0.070 0.000 0.948 104 R HN 0.297 nan 8.270 nan 0.000 0.417 105 V N 5.644 125.638 119.914 0.133 0.000 2.735 105 V HA 0.459 4.579 4.120 0.001 0.000 0.310 105 V C -0.413 175.724 176.094 0.070 0.000 1.061 105 V CA -0.822 61.548 62.300 0.117 0.000 0.913 105 V CB 2.195 34.132 31.823 0.189 0.000 1.005 105 V HN 0.787 nan 8.190 nan 0.000 0.428 106 R N 4.430 124.924 120.500 -0.009 0.000 2.480 106 R HA 0.739 5.079 4.340 0.001 0.000 0.306 106 R C -1.323 174.886 176.300 -0.153 0.000 0.958 106 R CA -0.514 55.529 56.100 -0.096 0.000 0.861 106 R CB 2.133 32.379 30.300 -0.091 0.000 1.171 106 R HN 0.572 nan 8.270 nan 0.000 0.445 107 I N 1.652 122.067 120.570 -0.258 0.000 2.465 107 I HA 0.416 4.587 4.170 0.001 0.000 0.291 107 I C -0.249 175.578 176.117 -0.482 0.000 1.014 107 I CA -0.971 60.061 61.300 -0.448 0.000 1.093 107 I CB 2.231 39.797 38.000 -0.723 0.000 1.267 107 I HN 0.624 nan 8.210 nan 0.000 0.431 108 A N 6.297 128.882 122.820 -0.391 0.000 2.341 108 A HA 0.423 4.744 4.320 0.001 0.000 0.326 108 A C -1.320 176.140 177.584 -0.208 0.000 1.402 108 A CA -0.351 51.549 52.037 -0.229 0.000 0.957 108 A CB -0.248 18.675 19.000 -0.129 0.000 1.151 108 A HN 0.712 nan 8.150 nan 0.000 0.533 109 W N 2.700 124.006 121.300 0.010 0.000 2.507 109 W HA 0.390 5.051 4.660 0.002 0.000 0.334 109 W C -0.059 176.480 176.519 0.034 0.000 1.165 109 W CA -0.079 57.300 57.345 0.056 0.000 1.460 109 W CB 0.761 30.274 29.460 0.088 0.000 1.404 109 W HN 0.515 nan 8.180 nan 0.000 0.435 110 T N 3.009 117.682 114.554 0.199 0.000 2.786 110 T HA 0.088 4.438 4.350 0.001 0.000 0.283 110 T C -0.253 174.472 174.700 0.041 0.000 0.992 110 T CA -0.864 61.277 62.100 0.068 0.000 0.954 110 T CB 0.802 69.671 68.868 0.003 0.000 0.934 110 T HN 0.148 nan 8.240 nan 0.000 0.440 111 N N 2.908 121.600 118.700 -0.014 0.000 2.402 111 N HA 0.086 4.827 4.740 0.001 0.000 0.252 111 N C 0.292 175.748 175.510 -0.089 0.000 1.118 111 N CA -0.411 52.612 53.050 -0.044 0.000 0.945 111 N CB 0.372 38.842 38.487 -0.028 0.000 1.147 111 N HN 0.400 nan 8.380 nan 0.000 0.495 112 R N 3.891 124.386 120.500 -0.009 0.000 2.700 112 R HA 0.282 4.623 4.340 0.001 0.000 0.377 112 R C -0.204 176.250 176.300 0.257 0.000 1.130 112 R CA -0.308 55.868 56.100 0.127 0.000 1.055 112 R CB 0.111 30.454 30.300 0.072 0.000 1.387 112 R HN 0.516 nan 8.270 nan 0.000 0.580 113 I N 3.707 124.366 120.570 0.150 0.000 2.291 113 I HA 0.173 4.343 4.170 0.001 0.000 0.292 113 I C -2.051 174.010 176.117 -0.093 0.000 1.064 113 I CA -2.084 59.143 61.300 -0.121 0.000 1.269 113 I CB 1.009 38.631 38.000 -0.631 0.000 1.418 113 I HN -0.260 nan 8.210 nan 0.000 0.485 114 P HA -0.005 nan 4.420 nan 0.000 0.265 114 P C -0.690 176.323 177.300 -0.478 0.000 1.187 114 P CA -0.175 62.420 63.100 -0.841 0.000 0.766 114 P CB 0.324 31.727 31.700 -0.495 0.000 0.820 115 K N 1.620 121.707 120.400 -0.522 0.000 2.469 115 K HA 0.254 4.575 4.320 0.001 0.000 0.274 115 K C 1.376 177.903 176.600 -0.122 0.000 0.983 115 K CA 0.590 56.764 56.287 -0.189 0.000 0.974 115 K CB -0.476 31.951 32.500 -0.122 0.000 0.913 115 K HN 0.836 nan 8.250 nan 0.000 0.493 116 G N 1.141 109.923 108.800 -0.031 0.000 2.199 116 G HA2 -0.280 3.681 3.960 0.001 0.000 0.254 116 G HA3 -0.280 3.681 3.960 0.001 0.000 0.254 116 G C 0.068 174.992 174.900 0.040 0.000 0.982 116 G CA 0.121 45.220 45.100 -0.002 0.000 0.632 116 G HN 0.532 nan 8.290 nan 0.000 0.529 117 S N 0.722 116.460 115.700 0.063 0.000 2.549 117 S HA 0.398 4.868 4.470 0.001 0.000 0.283 117 S C 0.452 175.174 174.600 0.204 0.000 1.320 117 S CA 0.248 58.531 58.200 0.139 0.000 1.058 117 S CB 1.419 64.727 63.200 0.179 0.000 0.882 117 S HN 0.679 nan 8.310 nan 0.000 0.498 118 E N 2.258 122.550 120.200 0.153 0.000 2.417 118 E HA -0.039 4.311 4.350 0.001 0.000 0.261 118 E C -0.927 175.718 176.600 0.074 0.000 1.000 118 E CA -0.076 56.384 56.400 0.100 0.000 0.919 118 E CB 0.197 29.928 29.700 0.052 0.000 0.955 118 E HN 0.500 nan 8.360 nan 0.000 0.455 119 Y N 6.463 126.719 120.300 -0.073 0.000 2.465 119 Y HA 0.174 4.725 4.550 0.001 0.000 0.331 119 Y C -1.786 173.861 175.900 -0.421 0.000 1.102 119 Y CA -1.980 55.953 58.100 -0.279 0.000 1.358 119 Y CB 1.050 39.373 38.460 -0.227 0.000 1.213 119 Y HN 0.654 nan 8.280 nan 0.000 0.525 120 P HA -0.064 nan 4.420 nan 0.000 0.225 120 P C -0.818 176.132 177.300 -0.584 0.000 1.156 120 P CA 0.983 63.543 63.100 -0.900 0.000 0.787 120 P CB 0.253 31.250 31.700 -1.172 0.000 0.802 121 V N -0.312 119.260 119.914 -0.570 0.000 2.459 121 V HA 0.251 4.372 4.120 0.001 0.000 0.295 121 V C 0.220 176.281 176.094 -0.055 0.000 1.029 121 V CA -0.463 61.713 62.300 -0.207 0.000 0.874 121 V CB 1.566 33.343 31.823 -0.077 0.000 0.985 121 V HN -0.141 nan 8.190 nan 0.000 0.438 122 T N 3.367 117.899 114.554 -0.036 0.000 2.806 122 T HA 0.343 4.694 4.350 0.001 0.000 0.290 122 T C 0.096 174.811 174.700 0.026 0.000 0.966 122 T CA -0.068 62.018 62.100 -0.023 0.000 1.060 122 T CB 1.252 70.120 68.868 -0.001 0.000 0.927 122 T HN 0.670 nan 8.240 nan 0.000 0.485 123 S N 2.573 118.249 115.700 -0.041 0.000 2.449 123 S HA 0.719 5.189 4.470 0.001 0.000 0.310 123 S C -0.352 174.309 174.600 0.101 0.000 1.096 123 S CA -0.699 57.552 58.200 0.086 0.000 1.095 123 S CB 0.273 63.417 63.200 -0.093 0.000 1.007 123 S HN 0.668 nan 8.310 nan 0.000 0.474 124 V N 2.234 122.258 119.914 0.183 0.000 3.040 124 V HA 0.755 4.876 4.120 0.001 0.000 0.312 124 V C -1.059 175.140 176.094 0.175 0.000 1.115 124 V CA -0.986 61.397 62.300 0.139 0.000 0.998 124 V CB 1.868 33.750 31.823 0.099 0.000 1.042 124 V HN 0.845 nan 8.190 nan 0.000 0.433 125 E N 1.803 122.084 120.200 0.136 0.000 2.176 125 E HA 0.653 5.003 4.350 0.001 0.000 0.267 125 E C -0.835 175.817 176.600 0.086 0.000 0.893 125 E CA -0.836 55.639 56.400 0.125 0.000 0.761 125 E CB 2.460 32.237 29.700 0.129 0.000 1.133 125 E HN 0.943 nan 8.360 nan 0.000 0.409 126 V N 0.279 120.236 119.914 0.072 0.000 2.667 126 V HA 0.607 4.727 4.120 0.001 0.000 0.308 126 V C -2.656 173.463 176.094 0.042 0.000 1.048 126 V CA -2.953 59.378 62.300 0.052 0.000 0.928 126 V CB 1.263 33.112 31.823 0.044 0.000 1.004 126 V HN 0.439 nan 8.190 nan 0.000 0.444 127 P HA 0.210 nan 4.420 nan 0.000 0.271 127 P C 1.133 178.443 177.300 0.017 0.000 1.233 127 P CA -0.188 62.927 63.100 0.025 0.000 0.789 127 P CB 0.687 32.399 31.700 0.020 0.000 0.951 128 L N 0.635 121.866 121.223 0.012 0.000 1.963 128 L HA -0.152 4.189 4.340 0.001 0.000 0.220 128 L C 1.207 178.074 176.870 -0.005 0.000 1.076 128 L CA 2.324 57.166 54.840 0.003 0.000 0.772 128 L CB -1.175 40.884 42.059 0.001 0.000 0.892 128 L HN 0.821 nan 8.230 nan 0.000 0.435 129 G N -1.599 107.198 108.800 -0.004 0.000 2.758 129 G HA2 -0.158 3.803 3.960 0.001 0.000 0.686 129 G HA3 -0.158 3.803 3.960 0.001 0.000 0.686 129 G C -2.541 172.350 174.900 -0.015 0.000 1.389 129 G CA -0.795 44.299 45.100 -0.010 0.000 0.845 129 G HN 0.178 nan 8.290 nan 0.000 0.572 130 P HA 0.308 nan 4.420 nan 0.000 0.265 130 P C -2.051 175.236 177.300 -0.023 0.000 1.193 130 P CA -0.531 62.559 63.100 -0.017 0.000 0.765 130 P CB 0.096 31.785 31.700 -0.018 0.000 0.823 131 P HA 0.123 nan 4.420 nan 0.000 0.272 131 P C 0.978 178.260 177.300 -0.029 0.000 1.223 131 P CA 0.475 63.559 63.100 -0.026 0.000 0.784 131 P CB 0.326 32.013 31.700 -0.021 0.000 0.923 132 G N 0.286 109.064 108.800 -0.036 0.000 2.196 132 G HA2 -0.226 3.734 3.960 0.001 0.000 0.268 132 G HA3 -0.226 3.734 3.960 0.001 0.000 0.268 132 G C 0.337 175.211 174.900 -0.043 0.000 0.975 132 G CA 0.738 45.815 45.100 -0.039 0.000 0.648 132 G HN 0.907 nan 8.290 nan 0.000 0.538 133 T N -1.685 112.843 114.554 -0.044 0.000 2.945 133 T HA 0.674 5.025 4.350 0.001 0.000 0.286 133 T C -2.573 172.089 174.700 -0.064 0.000 1.025 133 T CA -1.813 60.257 62.100 -0.050 0.000 1.039 133 T CB 2.451 71.294 68.868 -0.042 0.000 1.068 133 T HN -0.003 nan 8.240 nan 0.000 0.497 134 P HA 0.285 nan 4.420 nan 0.000 0.262 134 P C -0.050 177.199 177.300 -0.085 0.000 1.182 134 P CA -0.017 63.026 63.100 -0.096 0.000 0.761 134 P CB -0.104 31.531 31.700 -0.109 0.000 0.795 135 A N 6.814 129.577 122.820 -0.094 0.000 2.547 135 A HA 0.100 4.421 4.320 0.001 0.000 0.233 135 A C -1.134 176.405 177.584 -0.075 0.000 1.067 135 A CA -0.448 51.541 52.037 -0.080 0.000 0.763 135 A CB -0.818 18.125 19.000 -0.095 0.000 1.007 135 A HN 0.440 nan 8.150 nan 0.000 0.506 136 P HA -0.087 nan 4.420 nan 0.000 0.226 136 P C 0.547 177.822 177.300 -0.043 0.000 1.153 136 P CA 1.097 64.176 63.100 -0.035 0.000 0.777 136 P CB -0.126 31.569 31.700 -0.010 0.000 0.794 137 N N -1.734 116.928 118.700 -0.065 0.000 2.515 137 N HA -0.022 4.719 4.740 0.001 0.000 0.191 137 N C 0.753 176.183 175.510 -0.133 0.000 1.182 137 N CA 0.793 53.786 53.050 -0.095 0.000 0.879 137 N CB -1.479 36.941 38.487 -0.112 0.000 0.984 137 N HN -0.047 nan 8.380 nan 0.000 0.453 138 T N -0.606 113.871 114.554 -0.128 0.000 3.060 138 T HA 0.159 4.509 4.350 0.001 0.000 0.249 138 T C -0.198 174.407 174.700 -0.158 0.000 1.079 138 T CA 0.121 62.117 62.100 -0.174 0.000 1.013 138 T CB 0.330 69.091 68.868 -0.178 0.000 0.975 138 T HN 0.343 nan 8.240 nan 0.000 0.518 139 E N 1.470 121.624 120.200 -0.077 0.000 2.312 139 E HA 0.372 4.723 4.350 0.001 0.000 0.267 139 E C -2.671 173.966 176.600 0.062 0.000 0.894 139 E CA -2.485 53.909 56.400 -0.012 0.000 0.773 139 E CB 2.176 31.877 29.700 0.001 0.000 1.241 139 E HN 0.016 nan 8.360 nan 0.000 0.432 140 P HA 0.254 nan 4.420 nan 0.000 0.274 140 P C 0.019 177.396 177.300 0.129 0.000 1.256 140 P CA 0.088 63.315 63.100 0.211 0.000 0.795 140 P CB 0.533 32.408 31.700 0.292 0.000 1.038 141 G N 0.487 109.358 108.800 0.119 0.000 2.730 141 G HA2 -0.219 3.742 3.960 0.001 0.000 0.686 141 G HA3 -0.219 3.742 3.960 0.001 0.000 0.686 141 G C 0.290 175.236 174.900 0.076 0.000 1.343 141 G CA -0.471 44.678 45.100 0.083 0.000 0.826 141 G HN 0.509 nan 8.290 nan 0.000 0.582 142 R N 0.707 121.244 120.500 0.063 0.000 2.310 142 R HA 0.379 4.719 4.340 0.001 0.000 0.202 142 R C 2.038 178.367 176.300 0.049 0.000 0.933 142 R CA 0.984 57.120 56.100 0.060 0.000 1.054 142 R CB 0.070 30.401 30.300 0.051 0.000 0.985 142 R HN 2.182 nan 8.270 nan 0.000 0.489 143 G N 0.561 109.386 108.800 0.042 0.000 2.305 143 G HA2 -0.259 3.701 3.960 0.001 0.000 0.287 143 G HA3 -0.259 3.701 3.960 0.001 0.000 0.287 143 G C 0.824 175.741 174.900 0.029 0.000 1.036 143 G CA 0.444 45.564 45.100 0.033 0.000 0.887 143 G HN 0.576 nan 8.290 nan 0.000 0.505 144 G N -3.187 105.630 108.800 0.028 0.000 2.205 144 G HA2 -0.089 3.871 3.960 0.001 0.000 0.261 144 G HA3 -0.089 3.871 3.960 0.001 0.000 0.261 144 G C 0.517 175.431 174.900 0.024 0.000 0.980 144 G CA 0.581 45.695 45.100 0.023 0.000 0.632 144 G HN 1.677 nan 8.290 nan 0.000 0.533 145 V N 2.486 122.418 119.914 0.030 0.000 2.498 145 V HA 0.444 4.564 4.120 0.001 0.000 0.279 145 V C 0.870 176.980 176.094 0.027 0.000 1.048 145 V CA -0.141 62.177 62.300 0.030 0.000 0.967 145 V CB 1.397 33.243 31.823 0.039 0.000 0.988 145 V HN 0.604 nan 8.190 nan 0.000 0.473 146 E N 6.420 126.631 120.200 0.020 0.000 2.383 146 E HA 0.287 4.638 4.350 0.001 0.000 0.264 146 E C -2.603 174.003 176.600 0.009 0.000 1.050 146 E CA -1.928 54.480 56.400 0.012 0.000 0.896 146 E CB 0.337 30.040 29.700 0.006 0.000 0.982 146 E HN 0.388 nan 8.360 nan 0.000 0.424 147 P HA -0.128 nan 4.420 nan 0.000 0.261 147 P C -0.438 176.839 177.300 -0.037 0.000 1.173 147 P CA 0.181 63.270 63.100 -0.017 0.000 0.760 147 P CB 0.271 31.956 31.700 -0.026 0.000 0.783 148 N N 3.783 122.450 118.700 -0.055 0.000 2.374 148 N HA -0.113 4.628 4.740 0.001 0.000 0.269 148 N C 0.963 176.395 175.510 -0.130 0.000 1.310 148 N CA 0.307 53.304 53.050 -0.088 0.000 0.877 148 N CB 0.454 38.866 38.487 -0.124 0.000 1.096 148 N HN 0.140 nan 8.380 nan 0.000 0.484 149 K N 2.884 123.226 120.400 -0.096 0.000 2.148 149 K HA -0.088 4.233 4.320 0.001 0.000 0.204 149 K C 0.939 177.454 176.600 -0.140 0.000 1.050 149 K CA 1.037 57.265 56.287 -0.098 0.000 0.942 149 K CB -0.021 32.440 32.500 -0.064 0.000 0.724 149 K HN 0.567 nan 8.250 nan 0.000 0.446 150 D N 0.414 120.719 120.400 -0.158 0.000 2.117 150 D HA -0.097 4.544 4.640 0.001 0.000 0.198 150 D C 2.040 178.146 176.300 -0.322 0.000 0.982 150 D CA 0.783 54.669 54.000 -0.190 0.000 0.828 150 D CB -0.113 40.600 40.800 -0.145 0.000 0.967 150 D HN -0.112 nan 8.370 nan 0.000 0.464 151 V N 1.759 121.394 119.914 -0.466 0.000 2.237 151 V HA -0.233 3.888 4.120 0.001 0.000 0.245 151 V C 2.593 178.341 176.094 -0.576 0.000 1.046 151 V CA 1.868 63.714 62.300 -0.757 0.000 1.007 151 V CB -1.002 30.173 31.823 -1.079 0.000 0.638 151 V HN 0.177 nan 8.190 nan 0.000 0.445 152 A N -0.038 122.583 122.820 -0.330 0.000 2.084 152 A HA -0.146 4.175 4.320 0.001 0.000 0.221 152 A C 2.242 179.743 177.584 -0.139 0.000 1.161 152 A CA 2.101 54.037 52.037 -0.168 0.000 0.653 152 A CB -0.626 18.315 19.000 -0.098 0.000 0.802 152 A HN 0.644 nan 8.150 nan 0.000 0.457 153 A N -0.821 121.887 122.820 -0.186 0.000 2.169 153 A HA 0.383 4.703 4.320 0.001 0.000 0.212 153 A C 0.903 178.408 177.584 -0.131 0.000 1.153 153 A CA -0.213 51.748 52.037 -0.126 0.000 0.756 153 A CB -0.364 18.567 19.000 -0.114 0.000 0.813 153 A HN 0.437 nan 8.150 nan 0.000 0.471 154 L N 2.185 123.252 121.223 -0.261 0.000 2.540 154 L HA 0.114 4.454 4.340 0.001 0.000 0.276 154 L C -1.721 175.172 176.870 0.038 0.000 1.212 154 L CA -1.242 53.468 54.840 -0.217 0.000 0.893 154 L CB 0.123 41.851 42.059 -0.551 0.000 1.138 154 L HN 0.231 nan 8.230 nan 0.000 0.491 155 P HA 0.150 nan 4.420 nan 0.000 0.276 155 P C -0.887 176.650 177.300 0.394 0.000 1.261 155 P CA -0.702 62.528 63.100 0.217 0.000 0.800 155 P CB 0.716 32.485 31.700 0.115 0.000 1.066 156 A N 0.779 123.768 122.820 0.281 0.000 2.484 156 A HA 0.229 4.550 4.320 0.001 0.000 0.268 156 A C -0.882 176.857 177.584 0.259 0.000 1.114 156 A CA 0.081 52.151 52.037 0.055 0.000 0.780 156 A CB -1.072 17.605 19.000 -0.537 0.000 1.061 156 A HN 0.627 nan 8.150 nan 0.000 0.505 157 W N 2.898 124.269 121.300 0.119 0.000 2.740 157 W HA 0.533 5.194 4.660 0.001 0.000 0.316 157 W C -0.636 175.950 176.519 0.112 0.000 1.020 157 W CA -0.187 57.216 57.345 0.098 0.000 1.278 157 W CB 1.342 30.862 29.460 0.100 0.000 1.224 157 W HN 0.651 nan 8.180 nan 0.000 0.393 158 S N 3.977 119.507 115.700 -0.283 0.000 2.549 158 S HA 0.854 5.325 4.470 0.001 0.000 0.280 158 S C -2.047 172.376 174.600 -0.294 0.000 1.109 158 S CA -0.620 57.446 58.200 -0.224 0.000 0.905 158 S CB 1.669 64.831 63.200 -0.064 0.000 1.081 158 S HN 0.512 nan 8.310 nan 0.000 0.477 159 V N 3.284 123.055 119.914 -0.238 0.000 2.851 159 V HA 0.694 4.814 4.120 0.001 0.000 0.307 159 V C -0.928 175.070 176.094 -0.160 0.000 1.129 159 V CA -0.190 61.995 62.300 -0.193 0.000 0.932 159 V CB 2.391 34.071 31.823 -0.238 0.000 1.024 159 V HN 0.946 nan 8.190 nan 0.000 0.426 160 T N 4.821 119.208 114.554 -0.277 0.000 2.797 160 T HA 0.513 4.864 4.350 0.001 0.000 0.279 160 T C -1.220 173.220 174.700 -0.434 0.000 0.991 160 T CA -0.053 61.752 62.100 -0.492 0.000 0.979 160 T CB 0.677 68.804 68.868 -1.236 0.000 0.943 160 T HN 0.863 nan 8.240 nan 0.000 0.444 161 H N 2.675 121.452 119.070 -0.488 0.000 2.489 161 H HA 0.571 5.128 4.556 0.001 0.000 0.343 161 H C -1.041 173.978 175.328 -0.515 0.000 1.086 161 H CA -1.175 54.626 56.048 -0.412 0.000 1.198 161 H CB 0.767 30.349 29.762 -0.300 0.000 1.490 161 H HN 0.365 nan 8.280 nan 0.000 0.504 162 L N 6.370 127.129 121.223 -0.772 0.000 2.302 162 L HA 0.214 4.555 4.340 0.001 0.000 0.285 162 L C -0.535 175.645 176.870 -1.150 0.000 1.090 162 L CA -0.148 54.192 54.840 -0.833 0.000 0.866 162 L CB -0.746 40.821 42.059 -0.821 0.000 1.244 162 L HN 0.850 nan 8.230 nan 0.000 0.435 163 H N 4.586 122.905 119.070 -1.252 0.000 2.899 163 H HA 0.468 5.024 4.556 0.001 0.000 0.303 163 H C 1.201 176.139 175.328 -0.649 0.000 1.042 163 H CA 0.924 56.400 56.048 -0.953 0.000 1.479 163 H CB 0.590 29.873 29.762 -0.797 0.000 1.493 163 H HN 0.892 nan 8.280 nan 0.000 0.534 164 G N 2.671 111.195 108.800 -0.460 0.000 2.259 164 G HA2 -0.254 3.706 3.960 0.001 0.000 0.217 164 G HA3 -0.254 3.706 3.960 0.001 0.000 0.217 164 G C 0.314 174.426 174.900 -1.314 0.000 1.001 164 G CA -0.133 44.602 45.100 -0.608 0.000 0.627 164 G HN 0.953 nan 8.290 nan 0.000 0.501 165 A N 0.573 122.438 122.820 -1.591 0.000 2.450 165 A HA 0.612 4.933 4.320 0.001 0.000 0.255 165 A C 0.528 177.745 177.584 -0.612 0.000 1.096 165 A CA 0.659 51.689 52.037 -1.678 0.000 0.778 165 A CB 0.413 18.662 19.000 -1.251 0.000 1.031 165 A HN 0.555 nan 8.150 nan 0.000 0.494 166 Q N 1.630 121.215 119.800 -0.358 0.000 2.389 166 Q HA 0.421 4.762 4.340 0.001 0.000 0.244 166 Q C -0.317 175.711 176.000 0.046 0.000 1.056 166 Q CA 0.163 55.933 55.803 -0.056 0.000 0.908 166 Q CB 0.433 29.232 28.738 0.101 0.000 1.273 166 Q HN 0.838 nan 8.270 nan 0.000 0.471 167 T N 1.358 115.979 114.554 0.112 0.000 2.769 167 T HA 0.595 4.945 4.350 0.001 0.000 0.306 167 T C -0.578 174.302 174.700 0.301 0.000 1.400 167 T CA -0.105 62.106 62.100 0.185 0.000 1.007 167 T CB 1.149 70.143 68.868 0.211 0.000 1.392 167 T HN 0.648 nan 8.240 nan 0.000 0.500 168 G N -0.116 108.815 108.800 0.219 0.000 2.572 168 G HA2 0.456 4.416 3.960 0.001 0.000 0.261 168 G HA3 0.456 4.416 3.960 0.001 0.000 0.261 168 G C 1.276 176.176 174.900 0.001 0.000 1.197 168 G CA 0.094 45.328 45.100 0.223 0.000 0.870 168 G HN 1.041 nan 8.290 nan 0.000 0.548 169 G N -0.047 108.508 108.800 -0.409 0.000 2.462 169 G HA2 -0.039 3.922 3.960 0.001 0.000 0.220 169 G HA3 -0.039 3.922 3.960 0.001 0.000 0.220 169 G C 1.700 176.418 174.900 -0.304 0.000 1.121 169 G CA 1.325 45.968 45.100 -0.762 0.000 0.758 169 G HN 0.946 nan 8.290 nan 0.000 0.559 170 G N 0.488 109.184 108.800 -0.173 0.000 2.470 170 G HA2 -0.170 3.791 3.960 0.001 0.000 0.220 170 G HA3 -0.170 3.791 3.960 0.001 0.000 0.220 170 G C 1.480 176.347 174.900 -0.055 0.000 1.121 170 G CA 0.852 45.892 45.100 -0.101 0.000 0.766 170 G HN 0.492 nan 8.290 nan 0.000 0.553 171 N N -0.034 118.643 118.700 -0.038 0.000 2.205 171 N HA 0.026 4.767 4.740 0.001 0.000 0.201 171 N C 0.881 176.436 175.510 0.074 0.000 1.128 171 N CA 0.277 53.310 53.050 -0.028 0.000 0.867 171 N CB 0.520 38.944 38.487 -0.105 0.000 0.996 171 N HN 0.243 nan 8.380 nan 0.000 0.503 172 D N 0.611 121.062 120.400 0.084 0.000 2.323 172 D HA 0.053 4.694 4.640 0.001 0.000 0.209 172 D C 0.713 177.122 176.300 0.182 0.000 0.973 172 D CA 0.607 54.726 54.000 0.197 0.000 0.874 172 D CB 0.068 40.986 40.800 0.197 0.000 0.930 172 D HN 0.285 nan 8.370 nan 0.000 0.521 173 G N 0.684 109.529 108.800 0.075 0.000 2.414 173 G HA2 -0.253 3.708 3.960 0.001 0.000 0.256 173 G HA3 -0.253 3.708 3.960 0.001 0.000 0.256 173 G C -0.107 174.738 174.900 -0.092 0.000 1.128 173 G CA -0.165 44.930 45.100 -0.009 0.000 0.944 173 G HN 0.333 nan 8.290 nan 0.000 0.500 174 W N 0.613 121.789 121.300 -0.207 0.000 2.409 174 W HA 0.226 4.886 4.660 0.001 0.000 0.338 174 W C 1.027 177.419 176.519 -0.212 0.000 1.273 174 W CA 0.392 57.600 57.345 -0.229 0.000 1.299 174 W CB 0.482 29.845 29.460 -0.161 0.000 1.192 174 W HN 0.682 nan 8.180 nan 0.000 0.565 175 A N 4.347 126.597 122.820 -0.950 0.000 1.978 175 A HA -0.256 4.065 4.320 0.001 0.000 0.220 175 A C 1.667 179.017 177.584 -0.391 0.000 1.170 175 A CA 2.003 53.673 52.037 -0.611 0.000 0.636 175 A CB -0.384 18.254 19.000 -0.604 0.000 0.810 175 A HN 0.702 nan 8.150 nan 0.000 0.448 176 D N -0.245 119.977 120.400 -0.296 0.000 2.234 176 D HA -0.053 4.588 4.640 0.001 0.000 0.205 176 D C 0.559 176.981 176.300 0.203 0.000 0.962 176 D CA 0.724 54.817 54.000 0.155 0.000 0.855 176 D CB -0.446 40.623 40.800 0.450 0.000 0.951 176 D HN 0.621 nan 8.370 nan 0.000 0.500 177 N N 0.631 119.421 118.700 0.150 0.000 2.484 177 N HA 0.241 4.981 4.740 0.001 0.000 0.245 177 N C -0.059 175.396 175.510 -0.090 0.000 1.184 177 N CA -0.502 52.618 53.050 0.116 0.000 0.884 177 N CB 0.627 39.212 38.487 0.163 0.000 1.182 177 N HN 0.023 nan 8.380 nan 0.000 0.493 178 A N 0.717 123.287 122.820 -0.416 0.000 2.332 178 A HA 0.468 4.789 4.320 0.001 0.000 0.258 178 A C 0.386 177.715 177.584 -0.426 0.000 1.087 178 A CA -0.412 51.160 52.037 -0.775 0.000 0.802 178 A CB 0.432 18.369 19.000 -1.772 0.000 1.042 178 A HN 0.129 nan 8.150 nan 0.000 0.489 179 V N -0.625 119.130 119.914 -0.265 0.000 2.769 179 V HA 0.888 5.009 4.120 0.001 0.000 0.312 179 V C 0.485 176.679 176.094 0.165 0.000 1.061 179 V CA -0.100 62.236 62.300 0.059 0.000 0.931 179 V CB 1.109 32.955 31.823 0.038 0.000 1.010 179 V HN 1.302 nan 8.190 nan 0.000 0.433 180 G N 1.355 110.330 108.800 0.291 0.000 2.525 180 G HA2 0.494 4.455 3.960 0.001 0.000 0.287 180 G HA3 0.494 4.455 3.960 0.001 0.000 0.287 180 G C -0.592 174.403 174.900 0.158 0.000 1.350 180 G CA -0.872 44.392 45.100 0.274 0.000 1.039 180 G HN 0.982 nan 8.290 nan 0.000 0.513 181 F N 0.389 120.360 119.950 0.035 0.000 2.623 181 F HA 0.328 4.855 4.527 0.001 0.000 0.386 181 F C 1.444 177.252 175.800 0.014 0.000 1.068 181 F CA 1.724 59.721 58.000 -0.005 0.000 1.265 181 F CB 0.511 39.500 39.000 -0.018 0.000 1.026 181 F HN 1.043 nan 8.300 nan 0.000 0.568 182 G N 3.576 111.791 108.800 -0.976 0.000 2.284 182 G HA2 -0.240 3.721 3.960 0.001 0.000 0.230 182 G HA3 -0.240 3.721 3.960 0.001 0.000 0.230 182 G C -0.088 174.627 174.900 -0.309 0.000 1.021 182 G CA 0.101 44.755 45.100 -0.744 0.000 0.619 182 G HN 0.682 nan 8.290 nan 0.000 0.510 183 D N 0.998 121.293 120.400 -0.174 0.000 2.332 183 D HA 0.720 5.360 4.640 0.001 0.000 0.252 183 D C 0.434 176.709 176.300 -0.042 0.000 1.050 183 D CA 0.679 54.636 54.000 -0.073 0.000 0.970 183 D CB 1.669 42.465 40.800 -0.006 0.000 1.141 183 D HN 0.807 nan 8.370 nan 0.000 0.485 184 A N 0.471 123.284 122.820 -0.011 0.000 2.413 184 A HA 0.439 4.759 4.320 0.001 0.000 0.307 184 A C -0.767 176.849 177.584 0.054 0.000 1.087 184 A CA -0.701 51.350 52.037 0.024 0.000 0.750 184 A CB 1.735 20.735 19.000 -0.000 0.000 1.296 184 A HN 0.452 nan 8.150 nan 0.000 0.423 185 Q N 1.744 121.615 119.800 0.118 0.000 2.325 185 Q HA 0.594 4.935 4.340 0.001 0.000 0.262 185 Q C -1.715 174.383 176.000 0.163 0.000 0.968 185 Q CA -0.391 55.501 55.803 0.148 0.000 0.877 185 Q CB 0.774 29.636 28.738 0.207 0.000 1.253 185 Q HN 0.712 nan 8.270 nan 0.000 0.448 186 L N 2.867 124.134 121.223 0.073 0.000 2.272 186 L HA 0.493 4.834 4.340 0.001 0.000 0.289 186 L C -0.518 176.339 176.870 -0.022 0.000 1.032 186 L CA -0.562 54.277 54.840 -0.002 0.000 0.810 186 L CB 1.747 43.785 42.059 -0.034 0.000 1.205 186 L HN 0.577 nan 8.230 nan 0.000 0.422 187 S N 2.059 117.696 115.700 -0.106 0.000 2.502 187 S HA 0.346 4.817 4.470 0.001 0.000 0.304 187 S C -0.694 173.614 174.600 -0.487 0.000 1.097 187 S CA -0.708 57.324 58.200 -0.280 0.000 1.045 187 S CB 2.225 65.278 63.200 -0.245 0.000 1.019 187 S HN 0.587 nan 8.310 nan 0.000 0.481 188 E N 1.981 121.916 120.200 -0.441 0.000 2.175 188 E HA 0.385 4.736 4.350 0.001 0.000 0.278 188 E C -1.710 174.646 176.600 -0.407 0.000 0.969 188 E CA -0.554 55.647 56.400 -0.332 0.000 0.796 188 E CB 0.638 30.262 29.700 -0.126 0.000 1.104 188 E HN 0.595 nan 8.360 nan 0.000 0.395 189 Y N 4.691 125.050 120.300 0.099 0.000 2.376 189 Y HA 0.292 4.843 4.550 0.001 0.000 0.326 189 Y C -2.047 173.948 175.900 0.159 0.000 0.970 189 Y CA -2.525 55.656 58.100 0.135 0.000 1.248 189 Y CB 1.780 40.359 38.460 0.200 0.000 1.117 189 Y HN 0.567 nan 8.280 nan 0.000 0.476 190 P HA -0.039 nan 4.420 nan 0.000 0.225 190 P C -0.448 176.999 177.300 0.245 0.000 1.156 190 P CA 0.960 64.183 63.100 0.205 0.000 0.787 190 P CB 0.225 32.017 31.700 0.154 0.000 0.802 191 N N -2.053 116.853 118.700 0.344 0.000 2.741 191 N HA -0.189 4.552 4.740 0.001 0.000 0.250 191 N C -0.374 175.301 175.510 0.275 0.000 1.115 191 N CA 0.253 53.529 53.050 0.377 0.000 0.724 191 N CB -1.568 37.112 38.487 0.322 0.000 1.090 191 N HN 0.162 nan 8.380 nan 0.000 0.558 192 D N 0.644 121.198 120.400 0.256 0.000 2.688 192 D HA 0.060 4.701 4.640 0.001 0.000 0.228 192 D C -0.638 175.803 176.300 0.235 0.000 1.116 192 D CA 0.561 54.672 54.000 0.185 0.000 1.023 192 D CB -0.171 40.709 40.800 0.132 0.000 1.100 192 D HN 0.385 nan 8.370 nan 0.000 0.487 193 H N 0.937 120.071 119.070 0.107 0.000 3.046 193 H HA 0.149 4.705 4.556 0.001 0.000 0.363 193 H C -0.710 174.608 175.328 -0.016 0.000 1.203 193 H CA -0.620 55.478 56.048 0.084 0.000 1.169 193 H CB 1.713 31.628 29.762 0.255 0.000 1.851 193 H HN 0.295 nan 8.280 nan 0.000 0.546 194 Q N 2.190 121.789 119.800 -0.336 0.000 2.454 194 Q HA 0.481 4.822 4.340 0.001 0.000 0.247 194 Q C -0.366 175.607 176.000 -0.045 0.000 1.028 194 Q CA -0.438 55.258 55.803 -0.178 0.000 0.910 194 Q CB 0.862 29.455 28.738 -0.241 0.000 1.276 194 Q HN 0.551 nan 8.270 nan 0.000 0.489 195 A N 1.470 124.259 122.820 -0.052 0.000 2.565 195 A HA 0.342 4.663 4.320 0.001 0.000 0.237 195 A C 0.199 177.740 177.584 -0.071 0.000 1.053 195 A CA 0.971 52.964 52.037 -0.072 0.000 0.755 195 A CB 0.253 19.221 19.000 -0.052 0.000 0.980 195 A HN 0.806 nan 8.150 nan 0.000 0.506 196 T N 0.201 114.653 114.554 -0.170 0.000 2.677 196 T HA 0.392 4.743 4.350 0.001 0.000 0.305 196 T C -1.556 173.012 174.700 -0.220 0.000 1.569 196 T CA -0.424 61.583 62.100 -0.155 0.000 0.984 196 T CB 0.947 69.760 68.868 -0.091 0.000 1.629 196 T HN 0.911 nan 8.240 nan 0.000 0.494 197 Q N 1.557 121.296 119.800 -0.101 0.000 2.347 197 Q HA 0.441 4.782 4.340 0.001 0.000 0.262 197 Q C -1.177 174.911 176.000 0.147 0.000 0.980 197 Q CA -0.706 55.099 55.803 0.002 0.000 0.867 197 Q CB 0.581 29.349 28.738 0.050 0.000 1.242 197 Q HN 0.513 nan 8.270 nan 0.000 0.453 198 W N 3.921 125.327 121.300 0.178 0.000 2.367 198 W HA 0.537 5.198 4.660 0.001 0.000 0.369 198 W C -0.179 176.519 176.519 0.299 0.000 1.276 198 W CA -0.920 56.525 57.345 0.166 0.000 1.415 198 W CB 0.862 30.313 29.460 -0.015 0.000 1.306 198 W HN 0.645 nan 8.180 nan 0.000 0.669 199 W N 1.801 123.219 121.300 0.197 0.000 3.167 199 W HA 0.520 5.181 4.660 0.001 0.000 0.324 199 W C -2.229 174.305 176.519 0.024 0.000 1.230 199 W CA -2.063 55.334 57.345 0.088 0.000 1.184 199 W CB -0.140 29.318 29.460 -0.004 0.000 1.414 199 W HN 0.533 nan 8.180 nan 0.000 0.551 200 Y N 0.755 121.000 120.300 -0.092 0.000 2.446 200 Y HA 0.778 5.328 4.550 0.001 0.000 0.345 200 Y C -0.800 174.901 175.900 -0.333 0.000 0.984 200 Y CA -1.215 56.599 58.100 -0.476 0.000 1.058 200 Y CB 1.518 39.712 38.460 -0.444 0.000 1.220 200 Y HN 0.685 nan 8.280 nan 0.000 0.455 201 H N -0.983 117.902 119.070 -0.309 0.000 3.014 201 H HA 0.330 4.887 4.556 0.001 0.000 0.337 201 H C -1.583 173.733 175.328 -0.019 0.000 1.320 201 H CA -1.218 54.769 56.048 -0.103 0.000 1.128 201 H CB 1.158 30.739 29.762 -0.301 0.000 1.862 201 H HN 0.810 nan 8.280 nan 0.000 0.536 202 D N -0.045 120.503 120.400 0.248 0.000 2.472 202 D HA -0.093 4.548 4.640 0.001 0.000 0.237 202 D C -0.271 176.115 176.300 0.143 0.000 1.141 202 D CA 0.519 54.600 54.000 0.134 0.000 0.875 202 D CB 0.463 41.336 40.800 0.122 0.000 1.192 202 D HN 0.751 nan 8.370 nan 0.000 0.450 203 H N 1.831 120.861 119.070 -0.067 0.000 2.750 203 H HA 0.266 4.823 4.556 0.001 0.000 0.252 203 H C -0.626 174.556 175.328 -0.243 0.000 1.176 203 H CA -0.275 55.696 56.048 -0.129 0.000 0.987 203 H CB 0.371 30.031 29.762 -0.170 0.000 1.810 203 H HN 0.452 nan 8.280 nan 0.000 0.630 204 A N 1.505 124.255 122.820 -0.117 0.000 2.511 204 A HA 0.137 4.458 4.320 0.001 0.000 0.242 204 A C 0.738 178.244 177.584 -0.129 0.000 1.069 204 A CA -0.282 51.597 52.037 -0.264 0.000 0.763 204 A CB -0.140 18.671 19.000 -0.314 0.000 1.001 204 A HN 0.472 nan 8.150 nan 0.000 0.498 205 M N 3.329 122.864 119.600 -0.109 0.000 2.284 205 M HA 0.055 4.536 4.480 0.001 0.000 0.351 205 M C 0.774 177.125 176.300 0.085 0.000 1.443 205 M CA 1.239 56.518 55.300 -0.035 0.000 1.031 205 M CB -0.795 31.828 32.600 0.037 0.000 1.893 205 M HN 0.867 nan 8.290 nan 0.000 0.456 206 N N 2.384 121.052 118.700 -0.054 0.000 2.886 206 N HA -0.255 4.486 4.740 0.001 0.000 0.204 206 N C 0.387 175.876 175.510 -0.035 0.000 0.998 206 N CA 2.138 55.172 53.050 -0.026 0.000 1.114 206 N CB -1.614 36.916 38.487 0.072 0.000 0.964 206 N HN 0.865 nan 8.380 nan 0.000 0.581 207 I N -3.678 116.915 120.570 0.038 0.000 4.050 207 I HA 0.328 4.499 4.170 0.001 0.000 0.327 207 I C 1.087 177.207 176.117 0.006 0.000 1.473 207 I CA -0.111 61.268 61.300 0.132 0.000 1.124 207 I CB 0.411 38.641 38.000 0.384 0.000 1.129 207 I HN -0.213 nan 8.210 nan 0.000 0.428 208 T N 2.435 116.903 114.554 -0.143 0.000 2.759 208 T HA -0.199 4.152 4.350 0.001 0.000 0.269 208 T C 1.995 176.556 174.700 -0.231 0.000 1.042 208 T CA 2.342 64.336 62.100 -0.176 0.000 1.140 208 T CB -0.383 68.303 68.868 -0.304 0.000 0.864 208 T HN 0.607 nan 8.240 nan 0.000 0.455 209 R N -0.151 120.087 120.500 -0.436 0.000 2.159 209 R HA -0.112 4.229 4.340 0.001 0.000 0.237 209 R C 1.851 177.861 176.300 -0.483 0.000 1.131 209 R CA 1.413 57.178 56.100 -0.558 0.000 0.982 209 R CB -0.371 29.422 30.300 -0.845 0.000 0.868 209 R HN 0.454 nan 8.270 nan 0.000 0.453 210 W N 0.551 121.767 121.300 -0.140 0.000 2.699 210 W HA 0.216 4.876 4.660 0.001 0.000 0.265 210 W C 1.515 178.046 176.519 0.020 0.000 1.210 210 W CA -0.423 56.874 57.345 -0.080 0.000 1.414 210 W CB -0.745 28.712 29.460 -0.005 0.000 1.043 210 W HN 0.106 nan 8.180 nan 0.000 0.599 211 N N 1.054 119.937 118.700 0.305 0.000 2.120 211 N HA -0.136 4.605 4.740 0.001 0.000 0.188 211 N C 1.808 177.404 175.510 0.143 0.000 1.024 211 N CA 1.509 54.717 53.050 0.263 0.000 0.852 211 N CB -0.829 37.824 38.487 0.277 0.000 1.003 211 N HN -0.141 nan 8.380 nan 0.000 0.424 212 V N 1.441 121.403 119.914 0.080 0.000 2.307 212 V HA -0.180 3.940 4.120 0.001 0.000 0.245 212 V C 2.345 178.457 176.094 0.030 0.000 1.045 212 V CA 1.490 63.836 62.300 0.076 0.000 1.024 212 V CB -0.476 31.336 31.823 -0.018 0.000 0.651 212 V HN 0.333 nan 8.190 nan 0.000 0.449 213 M N 0.380 119.949 119.600 -0.051 0.000 2.267 213 M HA -0.151 4.330 4.480 0.001 0.000 0.263 213 M C 1.960 178.212 176.300 -0.080 0.000 1.063 213 M CA 2.002 57.239 55.300 -0.106 0.000 1.090 213 M CB -0.285 32.225 32.600 -0.149 0.000 1.392 213 M HN 0.319 nan 8.290 nan 0.000 0.422 214 A N -0.390 122.371 122.820 -0.097 0.000 2.125 214 A HA 0.155 4.475 4.320 0.001 0.000 0.219 214 A C 1.776 179.316 177.584 -0.073 0.000 1.156 214 A CA 1.325 53.221 52.037 -0.234 0.000 0.671 214 A CB -0.809 17.913 19.000 -0.463 0.000 0.794 214 A HN 0.838 nan 8.150 nan 0.000 0.459 215 G N -2.225 106.649 108.800 0.123 0.000 2.273 215 G HA2 -0.106 3.855 3.960 0.001 0.000 0.162 215 G HA3 -0.106 3.855 3.960 0.001 0.000 0.162 215 G C 0.098 175.149 174.900 0.253 0.000 1.006 215 G CA -0.117 45.126 45.100 0.237 0.000 0.704 215 G HN 0.378 nan 8.290 nan 0.000 0.487 216 L N 2.111 123.490 121.223 0.261 0.000 2.399 216 L HA 0.569 4.909 4.340 0.001 0.000 0.257 216 L C 0.226 177.451 176.870 0.593 0.000 1.236 216 L CA -0.762 54.194 54.840 0.194 0.000 1.144 216 L CB -0.817 41.217 42.059 -0.042 0.000 1.379 216 L HN 0.424 nan 8.230 nan 0.000 0.414 217 Y N -0.833 119.683 120.300 0.360 0.000 2.581 217 Y HA 0.935 5.486 4.550 0.002 0.000 0.337 217 Y C -0.138 175.755 175.900 -0.012 0.000 1.108 217 Y CA -1.137 57.099 58.100 0.228 0.000 1.033 217 Y CB 1.749 40.405 38.460 0.327 0.000 1.318 217 Y HN 0.137 nan 8.280 nan 0.000 0.459 218 G N 0.235 108.756 108.800 -0.464 0.000 2.559 218 G HA2 0.486 4.446 3.960 0.001 0.000 0.291 218 G HA3 0.486 4.446 3.960 0.001 0.000 0.291 218 G C -1.956 172.657 174.900 -0.479 0.000 1.424 218 G CA -0.704 43.967 45.100 -0.716 0.000 0.786 218 G HN 0.747 nan 8.290 nan 0.000 0.485 219 T N -1.219 113.320 114.554 -0.025 0.000 2.942 219 T HA 0.692 5.042 4.350 0.001 0.000 0.289 219 T C -1.965 173.013 174.700 0.464 0.000 1.044 219 T CA -0.428 61.827 62.100 0.257 0.000 1.023 219 T CB 1.435 70.419 68.868 0.193 0.000 1.123 219 T HN 0.803 nan 8.240 nan 0.000 0.512 220 Y N 2.802 123.276 120.300 0.290 0.000 2.298 220 Y HA 0.537 5.088 4.550 0.002 0.000 0.322 220 Y C -1.848 174.122 175.900 0.116 0.000 1.138 220 Y CA -0.960 57.293 58.100 0.255 0.000 1.127 220 Y CB 0.723 39.395 38.460 0.353 0.000 1.178 220 Y HN 0.501 nan 8.280 nan 0.000 0.428 221 L N 6.963 128.198 121.223 0.020 0.000 2.282 221 L HA 0.657 4.998 4.340 0.001 0.000 0.288 221 L C -0.680 176.100 176.870 -0.150 0.000 1.033 221 L CA -1.296 53.518 54.840 -0.043 0.000 0.807 221 L CB 1.531 43.566 42.059 -0.040 0.000 1.209 221 L HN 0.339 nan 8.230 nan 0.000 0.423 222 V N 3.987 123.782 119.914 -0.200 0.000 2.394 222 V HA 0.482 4.602 4.120 0.001 0.000 0.282 222 V C 0.146 176.160 176.094 -0.132 0.000 1.031 222 V CA -0.792 61.388 62.300 -0.201 0.000 0.881 222 V CB 1.469 33.089 31.823 -0.337 0.000 0.982 222 V HN 0.650 nan 8.190 nan 0.000 0.451 223 R N 3.440 123.886 120.500 -0.090 0.000 2.668 223 R HA 0.711 5.052 4.340 0.001 0.000 0.279 223 R C -0.883 175.391 176.300 -0.044 0.000 0.976 223 R CA -0.685 55.379 56.100 -0.060 0.000 0.978 223 R CB 1.943 32.212 30.300 -0.050 0.000 1.133 223 R HN 0.991 nan 8.270 nan 0.000 0.484 224 D N -1.488 118.892 120.400 -0.033 0.000 2.664 224 D HA 0.176 4.817 4.640 0.001 0.000 0.292 224 D C -0.299 175.991 176.300 -0.017 0.000 1.214 224 D CA -0.585 53.401 54.000 -0.023 0.000 0.932 224 D CB 0.455 41.240 40.800 -0.025 0.000 1.420 224 D HN 0.142 nan 8.370 nan 0.000 0.471 225 D N -0.327 120.065 120.400 -0.013 0.000 2.224 225 D HA -0.105 4.535 4.640 0.001 0.000 0.205 225 D C 1.365 177.659 176.300 -0.009 0.000 0.965 225 D CA 0.853 54.846 54.000 -0.011 0.000 0.852 225 D CB 0.203 40.998 40.800 -0.009 0.000 0.947 225 D HN 0.655 nan 8.370 nan 0.000 0.494 226 E N 1.096 121.292 120.200 -0.008 0.000 2.017 226 E HA -0.216 4.135 4.350 0.001 0.000 0.193 226 E C 1.945 178.544 176.600 -0.002 0.000 0.997 226 E CA 0.943 57.342 56.400 -0.003 0.000 0.804 226 E CB 0.078 29.780 29.700 0.004 0.000 0.757 226 E HN 0.219 nan 8.360 nan 0.000 0.448 227 E N 0.117 120.314 120.200 -0.003 0.000 2.097 227 E HA -0.249 4.102 4.350 0.001 0.000 0.196 227 E C 1.674 178.272 176.600 -0.003 0.000 1.000 227 E CA 1.688 58.087 56.400 -0.002 0.000 0.804 227 E CB -0.018 29.677 29.700 -0.008 0.000 0.740 227 E HN 0.267 nan 8.360 nan 0.000 0.454 228 D N 0.167 120.562 120.400 -0.008 0.000 2.123 228 D HA -0.157 4.483 4.640 0.001 0.000 0.196 228 D C 1.745 178.042 176.300 -0.006 0.000 0.992 228 D CA 1.402 55.397 54.000 -0.008 0.000 0.833 228 D CB -0.407 40.386 40.800 -0.011 0.000 0.954 228 D HN 0.305 nan 8.370 nan 0.000 0.455 229 A N 0.162 122.977 122.820 -0.009 0.000 2.178 229 A HA -0.083 4.237 4.320 0.001 0.000 0.218 229 A C 2.153 179.726 177.584 -0.019 0.000 1.157 229 A CA 0.631 52.659 52.037 -0.015 0.000 0.689 229 A CB -0.591 18.399 19.000 -0.016 0.000 0.787 229 A HN 0.247 nan 8.150 nan 0.000 0.465 230 L N -1.355 119.865 121.223 -0.005 0.000 2.509 230 L HA 0.145 4.486 4.340 0.001 0.000 0.222 230 L C 1.624 178.525 176.870 0.051 0.000 1.123 230 L CA 0.461 55.302 54.840 0.001 0.000 0.856 230 L CB -0.275 41.799 42.059 0.025 0.000 0.985 230 L HN 0.539 nan 8.230 nan 0.000 0.456 231 G N 1.486 110.315 108.800 0.048 0.000 2.323 231 G HA2 -0.282 3.679 3.960 0.001 0.000 0.292 231 G HA3 -0.282 3.679 3.960 0.001 0.000 0.292 231 G C 0.163 175.162 174.900 0.165 0.000 1.040 231 G CA -0.042 45.105 45.100 0.077 0.000 0.942 231 G HN 0.239 nan 8.290 nan 0.000 0.506 232 L N -0.010 121.262 121.223 0.082 0.000 2.452 232 L HA 0.311 4.652 4.340 0.001 0.000 0.267 232 L C -1.211 175.542 176.870 -0.195 0.000 1.188 232 L CA -1.942 52.853 54.840 -0.076 0.000 0.821 232 L CB 0.081 42.104 42.059 -0.060 0.000 1.102 232 L HN -0.013 nan 8.230 nan 0.000 0.470 233 P HA 0.017 nan 4.420 nan 0.000 0.265 233 P C -0.665 176.543 177.300 -0.153 0.000 1.187 233 P CA 0.096 63.039 63.100 -0.262 0.000 0.766 233 P CB 0.713 32.240 31.700 -0.289 0.000 0.820 234 S N 0.374 116.000 115.700 -0.122 0.000 2.776 234 S HA 0.767 5.238 4.470 0.001 0.000 0.292 234 S C 0.605 175.166 174.600 -0.065 0.000 1.187 234 S CA -0.076 58.080 58.200 -0.074 0.000 0.834 234 S CB 1.113 64.281 63.200 -0.053 0.000 1.199 234 S HN 0.771 nan 8.310 nan 0.000 0.514 235 G N 1.523 110.302 108.800 -0.036 0.000 2.660 235 G HA2 -0.369 3.592 3.960 0.001 0.000 0.321 235 G HA3 -0.369 3.592 3.960 0.001 0.000 0.321 235 G C 0.380 175.273 174.900 -0.012 0.000 1.246 235 G CA 1.064 46.151 45.100 -0.022 0.000 1.000 235 G HN 0.835 nan 8.290 nan 0.000 0.550 236 D N 1.003 121.395 120.400 -0.014 0.000 2.265 236 D HA -0.032 4.609 4.640 0.001 0.000 0.208 236 D C 2.441 178.744 176.300 0.006 0.000 0.977 236 D CA 1.019 55.028 54.000 0.015 0.000 0.871 236 D CB -0.070 40.738 40.800 0.014 0.000 0.925 236 D HN 0.462 nan 8.370 nan 0.000 0.485 237 R N 0.174 120.600 120.500 -0.124 0.000 2.432 237 R HA 0.179 4.520 4.340 0.001 0.000 0.260 237 R C 0.167 176.412 176.300 -0.091 0.000 0.935 237 R CA -0.109 55.786 56.100 -0.342 0.000 1.080 237 R CB 0.874 30.805 30.300 -0.615 0.000 1.155 237 R HN 0.150 nan 8.270 nan 0.000 0.531 238 E N 1.673 121.878 120.200 0.007 0.000 2.129 238 E HA 0.335 4.685 4.350 0.001 0.000 0.268 238 E C -0.984 175.679 176.600 0.105 0.000 0.900 238 E CA -0.354 56.079 56.400 0.055 0.000 0.755 238 E CB 0.934 30.643 29.700 0.014 0.000 1.117 238 E HN 0.077 nan 8.360 nan 0.000 0.410 239 I N 6.335 126.997 120.570 0.153 0.000 2.411 239 I HA 0.317 4.487 4.170 0.001 0.000 0.284 239 I C -2.332 173.858 176.117 0.122 0.000 1.012 239 I CA -2.568 58.824 61.300 0.154 0.000 1.119 239 I CB 1.708 39.841 38.000 0.222 0.000 1.261 239 I HN 0.328 nan 8.210 nan 0.000 0.448 240 P HA 0.216 nan 4.420 nan 0.000 0.271 240 P C -0.908 176.436 177.300 0.073 0.000 1.220 240 P CA 0.036 63.183 63.100 0.077 0.000 0.768 240 P CB 0.553 32.293 31.700 0.067 0.000 0.848 241 L N 4.464 125.725 121.223 0.065 0.000 2.345 241 L HA 0.366 4.707 4.340 0.001 0.000 0.274 241 L C -0.569 176.309 176.870 0.013 0.000 0.999 241 L CA -0.684 54.183 54.840 0.045 0.000 0.849 241 L CB 0.930 43.023 42.059 0.057 0.000 1.220 241 L HN 0.171 nan 8.230 nan 0.000 0.422 242 L N 5.664 126.904 121.223 0.028 0.000 2.283 242 L HA 0.476 4.816 4.340 0.001 0.000 0.281 242 L C 0.146 177.038 176.870 0.036 0.000 1.033 242 L CA -0.054 54.810 54.840 0.041 0.000 0.848 242 L CB 0.948 43.106 42.059 0.165 0.000 1.226 242 L HN 0.451 nan 8.230 nan 0.000 0.429 243 I N 0.444 120.963 120.570 -0.086 0.000 2.498 243 I HA 0.996 5.167 4.170 0.001 0.000 0.301 243 I C -0.247 175.784 176.117 -0.142 0.000 0.984 243 I CA -0.630 60.581 61.300 -0.149 0.000 1.204 243 I CB 1.960 39.749 38.000 -0.352 0.000 1.362 243 I HN 0.593 nan 8.210 nan 0.000 0.471 244 A N 4.356 127.141 122.820 -0.059 0.000 2.512 244 A HA 0.431 4.752 4.320 0.001 0.000 0.294 244 A C -1.189 176.488 177.584 0.155 0.000 1.054 244 A CA -0.752 51.292 52.037 0.013 0.000 0.756 244 A CB 1.050 19.942 19.000 -0.180 0.000 1.293 244 A HN 0.884 nan 8.150 nan 0.000 0.395 245 D N 1.833 122.422 120.400 0.315 0.000 2.362 245 D HA 0.572 5.213 4.640 0.001 0.000 0.242 245 D C -0.130 176.380 176.300 0.350 0.000 1.132 245 D CA -0.054 54.157 54.000 0.352 0.000 0.907 245 D CB 0.737 41.735 40.800 0.330 0.000 1.195 245 D HN 0.274 nan 8.370 nan 0.000 0.429 246 R N 1.092 121.808 120.500 0.361 0.000 2.771 246 R HA 0.503 4.844 4.340 0.001 0.000 0.274 246 R C -0.724 175.895 176.300 0.531 0.000 0.987 246 R CA -0.871 55.442 56.100 0.355 0.000 0.908 246 R CB 1.243 31.634 30.300 0.152 0.000 1.213 246 R HN 0.560 nan 8.270 nan 0.000 0.468 247 N N 0.832 119.876 118.700 0.573 0.000 2.362 247 N HA 0.591 5.332 4.740 0.001 0.000 0.299 247 N C -1.135 174.534 175.510 0.265 0.000 1.170 247 N CA -0.496 52.840 53.050 0.477 0.000 0.825 247 N CB 1.359 40.111 38.487 0.441 0.000 1.299 247 N HN 0.386 nan 8.380 nan 0.000 0.502 248 L N 0.824 122.181 121.223 0.224 0.000 2.370 248 L HA 0.398 4.739 4.340 0.001 0.000 0.266 248 L C -0.101 176.818 176.870 0.080 0.000 1.002 248 L CA -1.025 53.846 54.840 0.051 0.000 0.818 248 L CB 1.905 43.877 42.059 -0.145 0.000 1.325 248 L HN 0.481 nan 8.230 nan 0.000 0.418 249 D N 0.796 121.221 120.400 0.043 0.000 2.377 249 D HA 0.401 5.042 4.640 0.001 0.000 0.245 249 D C -0.385 175.936 176.300 0.035 0.000 1.196 249 D CA 0.138 54.167 54.000 0.047 0.000 0.962 249 D CB 1.298 42.117 40.800 0.032 0.000 1.127 249 D HN 0.618 nan 8.370 nan 0.000 0.471 250 T N -1.160 113.418 114.554 0.040 0.000 2.916 250 T HA 0.520 4.871 4.350 0.001 0.000 0.292 250 T C -0.393 174.323 174.700 0.026 0.000 1.064 250 T CA -1.026 61.094 62.100 0.033 0.000 1.011 250 T CB 1.481 70.376 68.868 0.045 0.000 1.152 250 T HN 0.132 nan 8.240 nan 0.000 0.510 251 D N 0.302 120.714 120.400 0.021 0.000 2.451 251 D HA 0.283 4.924 4.640 0.001 0.000 0.259 251 D C 1.313 177.625 176.300 0.019 0.000 1.201 251 D CA -0.720 53.291 54.000 0.018 0.000 1.028 251 D CB 0.762 41.570 40.800 0.013 0.000 1.095 251 D HN 0.754 nan 8.370 nan 0.000 0.539 252 E N -0.202 120.008 120.200 0.016 0.000 2.204 252 E HA -0.155 4.196 4.350 0.001 0.000 0.195 252 E C 0.702 177.311 176.600 0.016 0.000 0.990 252 E CA 0.860 57.270 56.400 0.016 0.000 0.821 252 E CB 0.098 29.806 29.700 0.013 0.000 0.750 252 E HN 0.382 nan 8.360 nan 0.000 0.477 253 D N -0.903 119.506 120.400 0.015 0.000 2.328 253 D HA 0.027 4.668 4.640 0.001 0.000 0.226 253 D C 1.189 177.501 176.300 0.020 0.000 1.066 253 D CA 0.650 54.659 54.000 0.016 0.000 0.861 253 D CB 0.218 41.026 40.800 0.013 0.000 0.912 253 D HN 0.185 nan 8.370 nan 0.000 0.521 254 G N 0.513 109.327 108.800 0.024 0.000 2.176 254 G HA2 -0.330 3.631 3.960 0.001 0.000 0.253 254 G HA3 -0.330 3.631 3.960 0.001 0.000 0.253 254 G C 0.274 175.194 174.900 0.033 0.000 0.979 254 G CA -0.162 44.958 45.100 0.032 0.000 0.641 254 G HN 0.450 nan 8.290 nan 0.000 0.530 255 R N 0.053 120.566 120.500 0.023 0.000 2.442 255 R HA 0.407 4.748 4.340 0.001 0.000 0.291 255 R C 0.993 177.299 176.300 0.010 0.000 1.069 255 R CA -0.388 55.721 56.100 0.016 0.000 1.022 255 R CB 0.314 30.619 30.300 0.009 0.000 0.976 255 R HN 0.307 nan 8.270 nan 0.000 0.443 256 L N 4.004 125.226 121.223 -0.002 0.000 2.513 256 L HA -0.065 4.276 4.340 0.001 0.000 0.272 256 L C 1.223 178.073 176.870 -0.033 0.000 1.187 256 L CA 0.197 55.020 54.840 -0.028 0.000 0.895 256 L CB 0.270 42.278 42.059 -0.087 0.000 1.147 256 L HN 0.774 nan 8.230 nan 0.000 0.483 257 N N 1.097 119.782 118.700 -0.024 0.000 2.205 257 N HA 0.113 4.853 4.740 0.001 0.000 0.201 257 N C 0.986 176.491 175.510 -0.008 0.000 1.128 257 N CA 0.384 53.428 53.050 -0.010 0.000 0.867 257 N CB 1.037 39.529 38.487 0.007 0.000 0.996 257 N HN 0.741 nan 8.380 nan 0.000 0.503 258 G N 0.198 108.973 108.800 -0.042 0.000 2.225 258 G HA2 -0.329 3.632 3.960 0.001 0.000 0.254 258 G HA3 -0.329 3.632 3.960 0.001 0.000 0.254 258 G C -0.024 174.859 174.900 -0.029 0.000 0.988 258 G CA -0.024 45.050 45.100 -0.043 0.000 0.625 258 G HN 0.420 nan 8.290 nan 0.000 0.527 259 R N 0.572 121.064 120.500 -0.014 0.000 2.421 259 R HA 0.359 4.699 4.340 0.001 0.000 0.305 259 R C 0.901 177.176 176.300 -0.041 0.000 1.039 259 R CA -0.309 55.775 56.100 -0.027 0.000 1.003 259 R CB 0.321 30.616 30.300 -0.009 0.000 0.959 259 R HN 0.343 nan 8.270 nan 0.000 0.427 260 L N 4.447 125.624 121.223 -0.077 0.000 2.540 260 L HA -0.028 4.313 4.340 0.001 0.000 0.276 260 L C -0.087 176.771 176.870 -0.020 0.000 1.212 260 L CA 0.258 55.057 54.840 -0.068 0.000 0.893 260 L CB 0.054 42.033 42.059 -0.133 0.000 1.138 260 L HN 0.381 nan 8.230 nan 0.000 0.491 261 L N 4.522 125.772 121.223 0.044 0.000 2.404 261 L HA 0.313 4.653 4.340 0.001 0.000 0.272 261 L C -0.391 176.593 176.870 0.189 0.000 0.980 261 L CA -0.184 54.727 54.840 0.117 0.000 0.836 261 L CB 1.252 43.395 42.059 0.140 0.000 1.238 261 L HN 0.436 nan 8.230 nan 0.000 0.408 262 H N 5.466 124.598 119.070 0.103 0.000 2.872 262 H HA 0.290 4.846 4.556 0.001 0.000 0.273 262 H C -1.129 174.393 175.328 0.323 0.000 1.205 262 H CA -0.240 55.902 56.048 0.157 0.000 1.342 262 H CB 0.694 30.595 29.762 0.231 0.000 1.469 262 H HN 0.670 nan 8.280 nan 0.000 0.487 263 K N 4.692 125.271 120.400 0.298 0.000 2.394 263 K HA 0.234 4.555 4.320 0.001 0.000 0.260 263 K C -0.747 175.900 176.600 0.078 0.000 0.967 263 K CA -0.604 55.796 56.287 0.189 0.000 0.855 263 K CB 0.899 33.494 32.500 0.158 0.000 1.101 263 K HN 0.638 nan 8.250 nan 0.000 0.433 264 T N -0.741 113.867 114.554 0.090 0.000 2.950 264 T HA 0.499 4.850 4.350 0.001 0.000 0.288 264 T C -0.301 174.440 174.700 0.069 0.000 1.035 264 T CA -0.821 61.311 62.100 0.053 0.000 1.028 264 T CB 1.621 70.546 68.868 0.096 0.000 1.109 264 T HN 0.153 nan 8.240 nan 0.000 0.514 265 V N 2.063 122.014 119.914 0.061 0.000 2.398 265 V HA 0.376 4.497 4.120 0.001 0.000 0.286 265 V C 0.228 176.360 176.094 0.063 0.000 1.026 265 V CA -0.969 61.362 62.300 0.052 0.000 0.868 265 V CB 1.029 32.871 31.823 0.031 0.000 0.982 265 V HN 0.831 nan 8.190 nan 0.000 0.443 266 I N 5.332 125.937 120.570 0.059 0.000 2.505 266 I HA 0.036 4.207 4.170 0.001 0.000 0.287 266 I C 1.154 177.296 176.117 0.041 0.000 1.104 266 I CA 0.287 61.621 61.300 0.057 0.000 1.387 266 I CB 1.056 39.088 38.000 0.053 0.000 1.404 266 I HN 0.653 nan 8.210 nan 0.000 0.528 267 V N 2.152 122.092 119.914 0.042 0.000 3.621 267 V HA 0.179 4.300 4.120 0.001 0.000 0.263 267 V C 0.491 176.598 176.094 0.021 0.000 1.272 267 V CA 0.132 62.450 62.300 0.029 0.000 1.080 267 V CB -0.225 31.618 31.823 0.033 0.000 0.816 267 V HN 0.837 nan 8.190 nan 0.000 0.451 268 Q N 0.508 120.320 119.800 0.021 0.000 2.337 268 Q HA 0.321 4.662 4.340 0.001 0.000 0.260 268 Q C 0.594 176.605 176.000 0.018 0.000 0.982 268 Q CA -0.444 55.367 55.803 0.012 0.000 0.734 268 Q CB 2.019 30.755 28.738 -0.003 0.000 1.272 268 Q HN 0.255 nan 8.270 nan 0.000 0.461 269 Q N 1.709 121.520 119.800 0.020 0.000 2.084 269 Q HA 0.045 4.386 4.340 0.001 0.000 0.202 269 Q C -0.318 175.698 176.000 0.025 0.000 0.978 269 Q CA 1.404 57.222 55.803 0.025 0.000 0.844 269 Q CB 0.391 29.142 28.738 0.021 0.000 0.898 269 Q HN 0.384 nan 8.270 nan 0.000 0.426 270 S N 0.206 115.918 115.700 0.020 0.000 2.776 270 S HA 0.382 4.853 4.470 0.001 0.000 0.284 270 S C -1.341 173.268 174.600 0.015 0.000 1.160 270 S CA -0.869 57.344 58.200 0.021 0.000 1.051 270 S CB 0.282 63.494 63.200 0.021 0.000 1.037 270 S HN 0.444 nan 8.310 nan 0.000 0.485 271 N N 4.939 123.646 118.700 0.012 0.000 2.483 271 N HA 0.285 5.025 4.740 0.001 0.000 0.264 271 N C -1.723 173.795 175.510 0.014 0.000 1.197 271 N CA -1.398 51.654 53.050 0.003 0.000 0.927 271 N CB 1.060 39.539 38.487 -0.013 0.000 1.065 271 N HN 0.258 nan 8.380 nan 0.000 0.461 272 P HA -0.122 nan 4.420 nan 0.000 0.219 272 P C 0.073 177.387 177.300 0.023 0.000 1.146 272 P CA 1.356 64.466 63.100 0.017 0.000 0.808 272 P CB 0.231 31.941 31.700 0.016 0.000 0.779 273 E N -1.211 119.006 120.200 0.027 0.000 2.140 273 E HA -0.004 4.347 4.350 0.001 0.000 0.191 273 E C 0.979 177.603 176.600 0.040 0.000 0.973 273 E CA 0.907 57.329 56.400 0.036 0.000 0.829 273 E CB -0.172 29.555 29.700 0.046 0.000 0.781 273 E HN 0.336 nan 8.360 nan 0.000 0.466 274 T N -3.107 111.473 114.554 0.043 0.000 2.919 274 T HA 0.429 4.779 4.350 0.001 0.000 0.282 274 T C 1.292 176.017 174.700 0.042 0.000 1.020 274 T CA -0.335 61.795 62.100 0.051 0.000 0.994 274 T CB 1.486 70.397 68.868 0.072 0.000 1.180 274 T HN -0.008 nan 8.240 nan 0.000 0.566 275 G N -0.145 108.682 108.800 0.045 0.000 2.471 275 G HA2 0.070 4.030 3.960 0.001 0.000 0.219 275 G HA3 0.070 4.030 3.960 0.001 0.000 0.219 275 G C 0.431 175.357 174.900 0.042 0.000 1.125 275 G CA 0.286 45.409 45.100 0.039 0.000 0.775 275 G HN 0.669 nan 8.290 nan 0.000 0.548 276 K N 0.446 120.878 120.400 0.053 0.000 2.106 276 K HA 0.446 4.766 4.320 0.001 0.000 0.246 276 K C -2.584 174.050 176.600 0.057 0.000 0.987 276 K CA -1.964 54.361 56.287 0.064 0.000 0.904 276 K CB 1.291 33.847 32.500 0.092 0.000 1.071 276 K HN -0.097 nan 8.250 nan 0.000 0.453 277 P HA 0.159 nan 4.420 nan 0.000 0.274 277 P C -1.102 176.241 177.300 0.072 0.000 1.246 277 P CA -0.552 62.584 63.100 0.060 0.000 0.795 277 P CB 0.661 32.402 31.700 0.068 0.000 1.006 278 V N 0.781 120.725 119.914 0.051 0.000 2.525 278 V HA 0.452 4.573 4.120 0.001 0.000 0.299 278 V C -0.161 175.981 176.094 0.079 0.000 1.034 278 V CA -0.333 61.993 62.300 0.043 0.000 0.863 278 V CB 1.604 33.380 31.823 -0.078 0.000 0.999 278 V HN 0.726 nan 8.190 nan 0.000 0.423 279 S N 4.793 120.572 115.700 0.132 0.000 2.638 279 S HA 0.866 5.337 4.470 0.001 0.000 0.302 279 S C -0.310 174.378 174.600 0.147 0.000 1.096 279 S CA -0.881 57.395 58.200 0.126 0.000 0.953 279 S CB 2.181 65.463 63.200 0.137 0.000 1.107 279 S HN 0.739 nan 8.310 nan 0.000 0.503 280 I N -1.970 118.676 120.570 0.127 0.000 3.244 280 I HA 0.616 4.787 4.170 0.001 0.000 0.314 280 I C -2.762 173.391 176.117 0.061 0.000 1.043 280 I CA -2.679 58.707 61.300 0.144 0.000 1.099 280 I CB -0.372 37.732 38.000 0.174 0.000 1.449 280 I HN 0.316 nan 8.210 nan 0.000 0.625 281 P HA 0.131 nan 4.420 nan 0.000 0.277 281 P C -1.023 175.973 177.300 -0.507 0.000 1.276 281 P CA -0.202 62.701 63.100 -0.327 0.000 0.788 281 P CB 0.251 31.617 31.700 -0.556 0.000 1.114 282 F N 1.095 120.631 119.950 -0.689 0.000 2.456 282 F HA 0.437 4.965 4.527 0.001 0.000 0.358 282 F C -0.913 174.290 175.800 -0.996 0.000 1.095 282 F CA 0.368 57.957 58.000 -0.686 0.000 1.216 282 F CB -0.190 38.454 39.000 -0.594 0.000 1.125 282 F HN 0.044 nan 8.300 nan 0.000 0.549 283 F N 3.759 123.002 119.950 -1.178 0.000 2.569 283 F HA 0.664 5.192 4.527 0.001 0.000 0.312 283 F C 0.268 175.295 175.800 -1.289 0.000 1.109 283 F CA -0.936 56.492 58.000 -0.953 0.000 0.919 283 F CB 1.875 40.584 39.000 -0.484 0.000 1.211 283 F HN 0.644 nan 8.300 nan 0.000 0.446 284 G N 1.493 109.898 108.800 -0.658 0.000 2.605 284 G HA2 0.614 4.574 3.960 0.001 0.000 0.296 284 G HA3 0.614 4.574 3.960 0.001 0.000 0.296 284 G C -2.617 172.240 174.900 -0.072 0.000 1.304 284 G CA -1.728 43.206 45.100 -0.278 0.000 0.941 284 G HN 0.299 nan 8.290 nan 0.000 0.475 285 P HA 0.054 nan 4.420 nan 0.000 0.227 285 P C -0.481 176.768 177.300 -0.085 0.000 1.161 285 P CA 0.671 63.639 63.100 -0.219 0.000 0.788 285 P CB 0.160 31.579 31.700 -0.469 0.000 0.822 286 Y N -0.589 119.844 120.300 0.223 0.000 2.341 286 Y HA 0.415 4.965 4.550 0.001 0.000 0.337 286 Y C 0.777 176.712 175.900 0.058 0.000 1.014 286 Y CA -0.763 57.355 58.100 0.031 0.000 1.111 286 Y CB 0.883 39.164 38.460 -0.297 0.000 1.194 286 Y HN -0.383 nan 8.280 nan 0.000 0.462 287 T N 2.671 117.358 114.554 0.222 0.000 2.743 287 T HA 0.264 4.614 4.350 0.001 0.000 0.292 287 T C 0.034 174.763 174.700 0.049 0.000 0.972 287 T CA -0.837 61.427 62.100 0.273 0.000 0.967 287 T CB 0.145 69.314 68.868 0.501 0.000 0.926 287 T HN 0.714 nan 8.240 nan 0.000 0.459 288 T N 0.763 115.348 114.554 0.052 0.000 2.845 288 T HA 0.614 4.965 4.350 0.001 0.000 0.288 288 T C -0.173 174.543 174.700 0.027 0.000 0.980 288 T CA -0.719 61.389 62.100 0.014 0.000 1.071 288 T CB 0.766 69.655 68.868 0.034 0.000 0.941 288 T HN 0.245 nan 8.240 nan 0.000 0.487 289 V N 4.037 123.968 119.914 0.028 0.000 2.409 289 V HA 0.364 4.485 4.120 0.001 0.000 0.291 289 V C 0.013 176.123 176.094 0.025 0.000 1.020 289 V CA -1.157 61.154 62.300 0.019 0.000 0.848 289 V CB 0.858 32.684 31.823 0.005 0.000 0.990 289 V HN 1.040 nan 8.190 nan 0.000 0.430 290 N N 3.837 122.565 118.700 0.047 0.000 2.716 290 N HA -0.218 4.522 4.740 0.001 0.000 0.250 290 N C 1.177 176.705 175.510 0.029 0.000 1.033 290 N CA 1.582 54.654 53.050 0.038 0.000 0.727 290 N CB -1.035 37.460 38.487 0.014 0.000 0.950 290 N HN 1.596 nan 8.380 nan 0.000 0.541 291 G N -1.251 107.591 108.800 0.070 0.000 2.143 291 G HA2 -0.354 3.607 3.960 0.001 0.000 0.248 291 G HA3 -0.354 3.607 3.960 0.001 0.000 0.248 291 G C 0.000 174.909 174.900 0.014 0.000 0.991 291 G CA 0.568 45.700 45.100 0.055 0.000 0.689 291 G HN 0.617 nan 8.290 nan 0.000 0.522 292 R N -0.797 119.704 120.500 0.001 0.000 2.621 292 R HA 0.587 4.927 4.340 0.001 0.000 0.292 292 R C 0.171 176.450 176.300 -0.035 0.000 0.969 292 R CA -1.088 54.998 56.100 -0.024 0.000 0.887 292 R CB 1.624 31.901 30.300 -0.038 0.000 1.180 292 R HN 0.199 nan 8.270 nan 0.000 0.450 293 I N 3.260 123.778 120.570 -0.087 0.000 2.533 293 I HA -0.053 4.118 4.170 0.001 0.000 0.284 293 I C 0.050 176.145 176.117 -0.036 0.000 1.109 293 I CA 0.238 61.385 61.300 -0.255 0.000 1.412 293 I CB 0.241 37.941 38.000 -0.501 0.000 1.396 293 I HN 0.594 nan 8.210 nan 0.000 0.543 294 W N 5.739 127.097 121.300 0.095 0.000 6.880 294 W HA -0.156 4.504 4.660 0.001 0.000 0.423 294 W C -2.314 174.313 176.519 0.180 0.000 1.695 294 W CA -0.916 56.488 57.345 0.099 0.000 1.126 294 W CB -2.315 27.087 29.460 -0.098 0.000 2.925 294 W HN 0.311 nan 8.180 nan 0.000 1.530 295 P HA 0.317 nan 4.420 nan 0.000 0.276 295 P C -0.454 176.954 177.300 0.180 0.000 1.252 295 P CA -0.080 63.102 63.100 0.136 0.000 0.802 295 P CB 0.929 32.603 31.700 -0.044 0.000 1.035 296 Y N -1.293 119.039 120.300 0.054 0.000 2.420 296 Y HA 0.784 5.335 4.550 0.001 0.000 0.334 296 Y C -0.899 174.912 175.900 -0.150 0.000 1.094 296 Y CA -1.758 56.270 58.100 -0.120 0.000 1.126 296 Y CB 0.969 39.372 38.460 -0.095 0.000 1.217 296 Y HN 0.496 nan 8.280 nan 0.000 0.462 297 A N 2.918 125.682 122.820 -0.094 0.000 2.318 297 A HA 0.469 4.790 4.320 0.001 0.000 0.317 297 A C -1.290 176.320 177.584 0.045 0.000 1.159 297 A CA -0.865 51.127 52.037 -0.075 0.000 0.799 297 A CB 0.452 19.370 19.000 -0.138 0.000 1.194 297 A HN 0.782 nan 8.150 nan 0.000 0.479 298 D N 1.920 122.373 120.400 0.087 0.000 2.295 298 D HA 0.430 5.071 4.640 0.001 0.000 0.248 298 D C 0.182 176.474 176.300 -0.013 0.000 1.154 298 D CA 0.402 54.431 54.000 0.048 0.000 0.857 298 D CB 1.570 42.423 40.800 0.088 0.000 1.117 298 D HN 0.539 nan 8.370 nan 0.000 0.468 299 V N -0.456 119.384 119.914 -0.124 0.000 3.102 299 V HA 0.578 4.699 4.120 0.001 0.000 0.312 299 V C -0.393 175.648 176.094 -0.088 0.000 1.135 299 V CA -1.048 61.139 62.300 -0.189 0.000 1.022 299 V CB 2.580 33.941 31.823 -0.770 0.000 1.056 299 V HN 0.140 nan 8.190 nan 0.000 0.436 300 D N 1.708 122.204 120.400 0.159 0.000 2.312 300 D HA 0.291 4.932 4.640 0.001 0.000 0.248 300 D C -0.348 176.048 176.300 0.160 0.000 1.086 300 D CA 0.024 54.116 54.000 0.153 0.000 0.948 300 D CB 1.262 42.181 40.800 0.200 0.000 1.162 300 D HN 0.931 nan 8.370 nan 0.000 0.446 301 D N 0.092 120.553 120.400 0.102 0.000 2.662 301 D HA 0.265 4.906 4.640 0.001 0.000 0.228 301 D C 0.413 176.815 176.300 0.170 0.000 1.093 301 D CA -0.468 53.602 54.000 0.117 0.000 1.075 301 D CB -0.271 40.565 40.800 0.060 0.000 1.122 301 D HN 0.334 nan 8.370 nan 0.000 0.475 302 G N -0.465 108.508 108.800 0.289 0.000 2.827 302 G HA2 0.446 4.407 3.960 0.001 0.000 0.296 302 G HA3 0.446 4.407 3.960 0.001 0.000 0.296 302 G C -1.651 173.419 174.900 0.284 0.000 1.362 302 G CA -1.288 43.961 45.100 0.247 0.000 0.809 302 G HN 0.177 nan 8.290 nan 0.000 0.522 303 W N -0.028 121.322 121.300 0.083 0.000 2.316 303 W HA 0.644 5.305 4.660 0.001 0.000 0.311 303 W C -0.860 175.600 176.519 -0.098 0.000 1.217 303 W CA 0.096 57.423 57.345 -0.029 0.000 1.199 303 W CB 0.930 30.247 29.460 -0.238 0.000 1.202 303 W HN 0.294 nan 8.180 nan 0.000 0.528 304 Y N 1.645 122.014 120.300 0.115 0.000 2.524 304 Y HA 0.471 5.022 4.550 0.001 0.000 0.344 304 Y C -0.010 175.908 175.900 0.030 0.000 1.012 304 Y CA -1.766 56.381 58.100 0.079 0.000 1.068 304 Y CB 1.959 40.509 38.460 0.150 0.000 1.249 304 Y HN 0.264 nan 8.280 nan 0.000 0.468 305 R N 3.372 123.957 120.500 0.143 0.000 2.343 305 R HA 0.640 4.981 4.340 0.001 0.000 0.320 305 R C -2.004 174.380 176.300 0.140 0.000 0.956 305 R CA -0.417 55.737 56.100 0.090 0.000 0.836 305 R CB 0.467 30.770 30.300 0.006 0.000 1.151 305 R HN 0.740 nan 8.270 nan 0.000 0.450 306 L N 4.996 126.301 121.223 0.137 0.000 2.307 306 L HA 0.553 4.894 4.340 0.001 0.000 0.284 306 L C 0.072 177.014 176.870 0.119 0.000 1.023 306 L CA -1.145 53.783 54.840 0.148 0.000 0.810 306 L CB 1.639 43.798 42.059 0.166 0.000 1.231 306 L HN 0.451 nan 8.230 nan 0.000 0.423 307 R N 3.686 124.249 120.500 0.105 0.000 2.522 307 R HA 0.343 4.684 4.340 0.001 0.000 0.290 307 R C -0.810 175.538 176.300 0.080 0.000 1.216 307 R CA -0.810 55.341 56.100 0.085 0.000 1.250 307 R CB 0.567 30.907 30.300 0.067 0.000 1.143 307 R HN 0.332 nan 8.270 nan 0.000 0.553 308 L N 2.945 124.232 121.223 0.107 0.000 2.260 308 L HA 0.379 4.719 4.340 0.001 0.000 0.289 308 L C -0.610 176.302 176.870 0.070 0.000 1.057 308 L CA -0.682 54.216 54.840 0.097 0.000 0.811 308 L CB 1.467 43.605 42.059 0.132 0.000 1.184 308 L HN 0.214 nan 8.230 nan 0.000 0.429 309 V N 6.295 126.174 119.914 -0.059 0.000 2.656 309 V HA 0.519 4.640 4.120 0.001 0.000 0.307 309 V C -0.621 175.293 176.094 -0.301 0.000 1.051 309 V CA -0.794 61.363 62.300 -0.238 0.000 0.893 309 V CB 1.945 33.485 31.823 -0.471 0.000 0.999 309 V HN 0.904 nan 8.190 nan 0.000 0.426 310 N N 5.225 123.737 118.700 -0.312 0.000 2.415 310 N HA 0.413 5.154 4.740 0.001 0.000 0.246 310 N C 0.340 175.550 175.510 -0.500 0.000 1.078 310 N CA 0.421 53.307 53.050 -0.273 0.000 0.942 310 N CB 1.625 40.069 38.487 -0.072 0.000 1.140 310 N HN 0.837 nan 8.380 nan 0.000 0.501 311 A N 2.515 125.062 122.820 -0.456 0.000 2.460 311 A HA 0.208 4.529 4.320 0.001 0.000 0.258 311 A C 0.473 177.894 177.584 -0.271 0.000 1.300 311 A CA -0.395 51.319 52.037 -0.538 0.000 0.913 311 A CB -0.169 18.532 19.000 -0.497 0.000 1.031 311 A HN 0.526 nan 8.150 nan 0.000 0.512 312 S N 1.167 116.796 115.700 -0.118 0.000 2.572 312 S HA 0.045 4.516 4.470 0.001 0.000 0.279 312 S C 1.098 175.699 174.600 0.002 0.000 1.341 312 S CA -0.326 57.874 58.200 0.001 0.000 1.043 312 S CB 0.531 63.815 63.200 0.141 0.000 0.887 312 S HN 0.597 nan 8.310 nan 0.000 0.516 313 N N 2.035 120.731 118.700 -0.008 0.000 2.061 313 N HA -0.148 4.592 4.740 0.001 0.000 0.193 313 N C 1.179 176.658 175.510 -0.051 0.000 1.030 313 N CA 1.848 54.876 53.050 -0.037 0.000 0.856 313 N CB -0.178 38.277 38.487 -0.054 0.000 1.023 313 N HN 0.708 nan 8.380 nan 0.000 0.424 314 A N -1.267 121.496 122.820 -0.095 0.000 1.996 314 A HA 0.180 4.501 4.320 0.001 0.000 0.185 314 A C 0.683 178.274 177.584 0.012 0.000 1.803 314 A CA -0.420 51.513 52.037 -0.174 0.000 1.335 314 A CB 0.054 18.701 19.000 -0.589 0.000 1.486 314 A HN 0.108 nan 8.150 nan 0.000 0.408 315 R N 0.906 121.439 120.500 0.054 0.000 2.538 315 R HA 0.259 4.600 4.340 0.001 0.000 0.282 315 R C -1.072 175.264 176.300 0.060 0.000 1.009 315 R CA 0.285 56.478 56.100 0.155 0.000 1.063 315 R CB -0.006 30.271 30.300 -0.038 0.000 0.945 315 R HN 0.377 nan 8.270 nan 0.000 0.414 316 I N 5.374 125.960 120.570 0.026 0.000 2.325 316 I HA 0.107 4.278 4.170 0.001 0.000 0.291 316 I C -0.536 175.537 176.117 -0.074 0.000 1.019 316 I CA -0.437 60.879 61.300 0.027 0.000 1.302 316 I CB 0.770 38.791 38.000 0.036 0.000 1.401 316 I HN 0.528 nan 8.210 nan 0.000 0.485 317 Y N 4.920 125.224 120.300 0.007 0.000 2.336 317 Y HA 0.190 4.741 4.550 0.002 0.000 0.335 317 Y C 0.252 176.130 175.900 -0.036 0.000 1.046 317 Y CA -0.060 58.033 58.100 -0.012 0.000 1.198 317 Y CB 0.599 39.046 38.460 -0.022 0.000 1.182 317 Y HN 0.494 nan 8.280 nan 0.000 0.502 318 N N 4.624 123.364 118.700 0.067 0.000 2.817 318 N HA 0.313 5.054 4.740 0.001 0.000 0.234 318 N C -1.312 174.232 175.510 0.057 0.000 1.066 318 N CA -0.306 52.769 53.050 0.042 0.000 0.926 318 N CB 0.449 38.941 38.487 0.009 0.000 1.176 318 N HN 0.408 nan 8.380 nan 0.000 0.506 319 L N 1.552 122.809 121.223 0.057 0.000 2.397 319 L HA 0.478 4.819 4.340 0.001 0.000 0.271 319 L C -0.162 176.712 176.870 0.008 0.000 1.148 319 L CA -0.578 54.288 54.840 0.043 0.000 0.825 319 L CB 0.734 42.804 42.059 0.018 0.000 1.117 319 L HN 0.103 nan 8.230 nan 0.000 0.456 320 V N 3.697 123.505 119.914 -0.177 0.000 2.760 320 V HA 0.323 4.444 4.120 0.001 0.000 0.309 320 V C -0.537 175.164 176.094 -0.654 0.000 1.077 320 V CA -0.629 61.280 62.300 -0.651 0.000 0.910 320 V CB 2.333 33.883 31.823 -0.455 0.000 1.008 320 V HN 0.436 nan 8.190 nan 0.000 0.424 321 L N 6.695 127.257 121.223 -1.102 0.000 2.276 321 L HA 0.704 5.045 4.340 0.001 0.000 0.286 321 L C -0.338 176.295 176.870 -0.395 0.000 1.061 321 L CA 0.325 54.888 54.840 -0.462 0.000 0.807 321 L CB 0.733 42.678 42.059 -0.190 0.000 1.177 321 L HN 0.672 nan 8.230 nan 0.000 0.429 322 I N 1.007 121.465 120.570 -0.188 0.000 2.892 322 I HA 0.656 4.826 4.170 0.001 0.000 0.306 322 I C -0.901 175.181 176.117 -0.058 0.000 1.078 322 I CA -0.886 60.340 61.300 -0.123 0.000 1.032 322 I CB 2.080 40.013 38.000 -0.112 0.000 1.229 322 I HN 0.597 nan 8.210 nan 0.000 0.435 323 D N 2.542 122.915 120.400 -0.044 0.000 2.507 323 D HA 0.182 4.823 4.640 0.001 0.000 0.280 323 D C 0.521 176.801 176.300 -0.034 0.000 1.219 323 D CA -0.172 53.810 54.000 -0.029 0.000 1.085 323 D CB 0.544 41.332 40.800 -0.019 0.000 1.134 323 D HN 0.658 nan 8.370 nan 0.000 0.583 324 E N -1.049 119.132 120.200 -0.031 0.000 2.268 324 E HA -0.043 4.308 4.350 0.001 0.000 0.195 324 E C 0.399 176.985 176.600 -0.023 0.000 0.995 324 E CA 0.935 57.317 56.400 -0.030 0.000 0.836 324 E CB -0.074 29.608 29.700 -0.031 0.000 0.763 324 E HN 0.349 nan 8.360 nan 0.000 0.491 325 D N 0.001 120.388 120.400 -0.022 0.000 2.325 325 D HA 0.015 4.656 4.640 0.001 0.000 0.225 325 D C -0.363 175.923 176.300 -0.023 0.000 1.096 325 D CA 0.176 54.164 54.000 -0.020 0.000 0.844 325 D CB 0.319 41.109 40.800 -0.017 0.000 0.925 325 D HN -0.034 nan 8.370 nan 0.000 0.513 326 D N -0.305 120.078 120.400 -0.029 0.000 3.028 326 D HA -0.208 4.432 4.640 0.001 0.000 0.207 326 D C 0.448 176.723 176.300 -0.042 0.000 1.100 326 D CA 0.474 54.453 54.000 -0.036 0.000 0.995 326 D CB -1.183 39.598 40.800 -0.032 0.000 1.108 326 D HN 0.301 nan 8.370 nan 0.000 0.421 327 R N 1.046 121.525 120.500 -0.034 0.000 2.401 327 R HA 0.308 4.648 4.340 0.001 0.000 0.299 327 R C -2.442 173.832 176.300 -0.042 0.000 1.064 327 R CA -1.134 54.949 56.100 -0.028 0.000 1.000 327 R CB 0.625 30.916 30.300 -0.015 0.000 0.973 327 R HN -0.144 nan 8.270 nan 0.000 0.438 328 P HA -0.072 nan 4.420 nan 0.000 0.266 328 P C -1.048 176.269 177.300 0.028 0.000 1.195 328 P CA -0.007 63.056 63.100 -0.062 0.000 0.768 328 P CB 0.657 32.368 31.700 0.019 0.000 0.838 329 V N 5.823 125.769 119.914 0.053 0.000 2.294 329 V HA 0.274 4.394 4.120 0.001 0.000 0.272 329 V C -1.674 174.526 176.094 0.177 0.000 1.027 329 V CA -1.713 60.638 62.300 0.084 0.000 0.823 329 V CB 0.764 32.608 31.823 0.035 0.000 1.030 329 V HN 0.573 nan 8.190 nan 0.000 0.457 330 P HA 0.307 nan 4.420 nan 0.000 0.276 330 P C 0.760 178.034 177.300 -0.043 0.000 1.252 330 P CA 0.408 63.525 63.100 0.028 0.000 0.802 330 P CB 1.155 32.859 31.700 0.006 0.000 1.035 331 G N -0.506 108.222 108.800 -0.120 0.000 2.176 331 G HA2 -0.200 3.760 3.960 0.001 0.000 0.252 331 G HA3 -0.200 3.760 3.960 0.001 0.000 0.252 331 G C 0.383 175.198 174.900 -0.142 0.000 1.024 331 G CA 0.154 45.182 45.100 -0.120 0.000 0.755 331 G HN 0.430 nan 8.290 nan 0.000 0.507 332 V N -1.407 118.373 119.914 -0.223 0.000 3.251 332 V HA 0.245 4.366 4.120 0.001 0.000 0.239 332 V C 1.112 177.028 176.094 -0.296 0.000 1.332 332 V CA 1.027 63.174 62.300 -0.256 0.000 1.224 332 V CB 1.206 32.887 31.823 -0.236 0.000 1.004 332 V HN 0.237 nan 8.190 nan 0.000 0.464 333 V N 1.161 120.877 119.914 -0.331 0.000 2.472 333 V HA 0.542 4.663 4.120 0.001 0.000 0.290 333 V C -0.947 174.913 176.094 -0.390 0.000 1.037 333 V CA -0.426 61.735 62.300 -0.231 0.000 0.908 333 V CB 1.219 32.973 31.823 -0.116 0.000 0.985 333 V HN 0.560 nan 8.190 nan 0.000 0.454 334 H N 2.108 121.182 119.070 0.007 0.000 2.759 334 H HA 0.442 4.999 4.556 0.001 0.000 0.354 334 H C -0.509 174.853 175.328 0.056 0.000 1.074 334 H CA -0.441 55.634 56.048 0.045 0.000 1.226 334 H CB 1.494 31.339 29.762 0.139 0.000 1.648 334 H HN 0.643 nan 8.280 nan 0.000 0.529 335 Q N 3.298 123.181 119.800 0.137 0.000 2.274 335 Q HA 0.293 4.634 4.340 0.001 0.000 0.256 335 Q C 0.305 176.372 176.000 0.112 0.000 0.927 335 Q CA -0.367 55.514 55.803 0.130 0.000 0.939 335 Q CB 0.709 29.525 28.738 0.130 0.000 1.201 335 Q HN 0.891 nan 8.270 nan 0.000 0.426 336 I N 0.232 120.862 120.570 0.100 0.000 4.227 336 I HA 0.573 4.744 4.170 0.001 0.000 0.334 336 I C 0.470 176.607 176.117 0.033 0.000 1.341 336 I CA -0.332 61.005 61.300 0.062 0.000 1.123 336 I CB 1.075 39.116 38.000 0.068 0.000 1.097 336 I HN 0.482 nan 8.210 nan 0.000 0.399 337 G N 0.482 109.306 108.800 0.040 0.000 2.649 337 G HA2 0.654 4.615 3.960 0.001 0.000 0.290 337 G HA3 0.654 4.615 3.960 0.001 0.000 0.290 337 G C -1.201 173.698 174.900 -0.002 0.000 1.426 337 G CA 0.109 45.222 45.100 0.022 0.000 0.794 337 G HN 0.323 nan 8.290 nan 0.000 0.483 338 S N -1.406 114.283 115.700 -0.019 0.000 2.880 338 S HA 0.503 4.973 4.470 0.001 0.000 0.308 338 S C 0.296 174.872 174.600 -0.040 0.000 1.195 338 S CA 0.097 58.232 58.200 -0.107 0.000 0.866 338 S CB 1.161 64.309 63.200 -0.087 0.000 1.254 338 S HN 0.357 nan 8.310 nan 0.000 0.571 339 D N 1.539 121.905 120.400 -0.056 0.000 2.192 339 D HA -0.077 4.563 4.640 0.001 0.000 0.189 339 D C 1.640 178.061 176.300 0.201 0.000 1.007 339 D CA 2.263 56.299 54.000 0.060 0.000 0.859 339 D CB -0.995 39.849 40.800 0.073 0.000 0.936 339 D HN 0.793 nan 8.370 nan 0.000 0.447 340 G N -1.119 107.838 108.800 0.263 0.000 3.337 340 G HA2 0.475 4.436 3.960 0.001 0.000 0.246 340 G HA3 0.475 4.436 3.960 0.001 0.000 0.246 340 G C 0.625 175.718 174.900 0.323 0.000 1.131 340 G CA 0.459 45.784 45.100 0.375 0.000 0.773 340 G HN 0.667 nan 8.290 nan 0.000 0.544 341 G N -0.430 108.504 108.800 0.224 0.000 2.316 341 G HA2 -0.026 3.934 3.960 0.001 0.000 0.349 341 G HA3 -0.026 3.934 3.960 0.001 0.000 0.349 341 G C -0.497 174.491 174.900 0.147 0.000 1.274 341 G CA -1.027 44.169 45.100 0.160 0.000 1.018 341 G HN 0.398 nan 8.290 nan 0.000 0.486 342 L N 0.707 121.997 121.223 0.113 0.000 2.543 342 L HA 0.210 4.550 4.340 0.001 0.000 0.285 342 L C 1.123 178.002 176.870 0.015 0.000 1.236 342 L CA -0.061 54.816 54.840 0.062 0.000 0.871 342 L CB 0.064 42.156 42.059 0.055 0.000 1.121 342 L HN 0.422 nan 8.230 nan 0.000 0.501 343 L N 4.985 126.165 121.223 -0.072 0.000 2.453 343 L HA 0.163 4.504 4.340 0.001 0.000 0.261 343 L C -1.115 175.560 176.870 -0.325 0.000 1.179 343 L CA -1.552 53.146 54.840 -0.236 0.000 0.813 343 L CB 0.395 42.359 42.059 -0.157 0.000 1.110 343 L HN 0.465 nan 8.230 nan 0.000 0.466 344 P HA -0.107 nan 4.420 nan 0.000 0.216 344 P C -0.225 176.974 177.300 -0.169 0.000 1.150 344 P CA 1.526 64.364 63.100 -0.437 0.000 0.837 344 P CB 0.260 31.622 31.700 -0.564 0.000 0.786 345 R N -1.424 118.984 120.500 -0.152 0.000 2.668 345 R HA 0.408 4.748 4.340 0.001 0.000 0.272 345 R C -2.847 173.426 176.300 -0.045 0.000 1.019 345 R CA -2.432 53.626 56.100 -0.071 0.000 0.894 345 R CB 1.174 31.444 30.300 -0.050 0.000 1.228 345 R HN -0.108 nan 8.270 nan 0.000 0.460 346 P HA 0.018 nan 4.420 nan 0.000 0.267 346 P C -0.518 176.812 177.300 0.050 0.000 1.200 346 P CA -0.162 62.965 63.100 0.044 0.000 0.772 346 P CB 0.598 32.344 31.700 0.077 0.000 0.855 347 V N 5.027 124.977 119.914 0.060 0.000 2.350 347 V HA 0.281 4.402 4.120 0.001 0.000 0.285 347 V C -2.073 174.025 176.094 0.005 0.000 1.014 347 V CA -2.036 60.279 62.300 0.026 0.000 0.831 347 V CB 1.316 33.145 31.823 0.010 0.000 1.000 347 V HN 0.538 nan 8.190 nan 0.000 0.433 348 P HA 0.150 nan 4.420 nan 0.000 0.271 348 P C -0.594 176.554 177.300 -0.252 0.000 1.216 348 P CA 0.035 63.031 63.100 -0.173 0.000 0.771 348 P CB 0.991 32.613 31.700 -0.130 0.000 0.864 349 V N 3.968 123.647 119.914 -0.392 0.000 2.275 349 V HA 0.151 4.272 4.120 0.001 0.000 0.272 349 V C 0.459 176.018 176.094 -0.891 0.000 1.028 349 V CA 0.065 62.014 62.300 -0.585 0.000 0.810 349 V CB 0.785 32.284 31.823 -0.539 0.000 1.043 349 V HN 0.459 nan 8.190 nan 0.000 0.453 350 D N 3.449 123.450 120.400 -0.665 0.000 2.369 350 D HA 0.192 4.833 4.640 0.001 0.000 0.211 350 D C 0.703 176.840 176.300 -0.272 0.000 1.077 350 D CA -0.009 53.731 54.000 -0.433 0.000 0.842 350 D CB 0.223 40.899 40.800 -0.206 0.000 0.947 350 D HN 0.545 nan 8.370 nan 0.000 0.509 351 F N 1.379 121.297 119.950 -0.052 0.000 3.074 351 F HA -0.271 4.257 4.527 0.001 0.000 0.287 351 F C 0.621 176.402 175.800 -0.031 0.000 0.932 351 F CA 0.105 58.082 58.000 -0.039 0.000 0.995 351 F CB -1.692 37.284 39.000 -0.040 0.000 0.966 351 F HN 0.078 nan 8.300 nan 0.000 0.721 352 D N -1.257 119.168 120.400 0.041 0.000 2.636 352 D HA 0.264 4.904 4.640 0.001 0.000 0.236 352 D C 0.974 177.282 176.300 0.014 0.000 1.176 352 D CA 0.150 54.166 54.000 0.027 0.000 1.081 352 D CB 0.038 40.836 40.800 -0.004 0.000 1.213 352 D HN -0.083 nan 8.370 nan 0.000 0.633 353 D N -0.738 119.663 120.400 0.002 0.000 2.183 353 D HA -0.044 4.597 4.640 0.001 0.000 0.205 353 D C 1.870 178.167 176.300 -0.005 0.000 0.962 353 D CA 1.377 55.378 54.000 0.002 0.000 0.849 353 D CB -0.755 40.047 40.800 0.002 0.000 0.978 353 D HN 0.432 nan 8.370 nan 0.000 0.488 354 T N 0.616 115.160 114.554 -0.016 0.000 2.778 354 T HA -0.123 4.228 4.350 0.001 0.000 0.269 354 T C 0.851 175.534 174.700 -0.029 0.000 1.050 354 T CA 0.792 62.879 62.100 -0.023 0.000 1.137 354 T CB 0.151 68.999 68.868 -0.034 0.000 0.860 354 T HN -0.015 nan 8.240 nan 0.000 0.468 355 L N 1.203 122.401 121.223 -0.042 0.000 2.513 355 L HA 0.310 4.651 4.340 0.001 0.000 0.256 355 L C -2.345 174.502 176.870 -0.039 0.000 1.163 355 L CA -1.416 53.392 54.840 -0.052 0.000 0.895 355 L CB 1.732 43.729 42.059 -0.104 0.000 1.076 355 L HN -0.228 nan 8.230 nan 0.000 0.491 356 P HA 0.025 nan 4.420 nan 0.000 0.222 356 P C 0.178 177.608 177.300 0.216 0.000 1.153 356 P CA 0.950 64.113 63.100 0.104 0.000 0.798 356 P CB 0.401 32.140 31.700 0.065 0.000 0.796 357 V N -3.355 116.653 119.914 0.156 0.000 2.876 357 V HA 0.523 4.644 4.120 0.001 0.000 0.312 357 V C -0.689 175.478 176.094 0.122 0.000 1.085 357 V CA -1.712 60.702 62.300 0.188 0.000 0.945 357 V CB 2.108 33.984 31.823 0.087 0.000 1.017 357 V HN -0.203 nan 8.190 nan 0.000 0.428 358 L N 3.561 124.872 121.223 0.146 0.000 2.295 358 L HA 0.553 4.894 4.340 0.001 0.000 0.288 358 L C 0.638 177.437 176.870 -0.118 0.000 1.079 358 L CA 0.655 55.474 54.840 -0.034 0.000 0.830 358 L CB 0.844 42.853 42.059 -0.083 0.000 1.200 358 L HN 1.013 nan 8.230 nan 0.000 0.438 359 S N 4.857 120.507 115.700 -0.083 0.000 2.399 359 S HA 0.701 5.172 4.470 0.001 0.000 0.301 359 S C 0.032 174.603 174.600 -0.048 0.000 1.093 359 S CA -0.383 57.800 58.200 -0.028 0.000 1.077 359 S CB 0.295 63.521 63.200 0.044 0.000 0.980 359 S HN 0.829 nan 8.310 nan 0.000 0.494 360 A N 4.846 127.614 122.820 -0.088 0.000 2.412 360 A HA 0.744 5.065 4.320 0.001 0.000 0.334 360 A C 0.542 178.229 177.584 0.172 0.000 1.419 360 A CA -0.537 51.508 52.037 0.014 0.000 0.930 360 A CB -0.053 18.829 19.000 -0.195 0.000 1.149 360 A HN 1.183 nan 8.150 nan 0.000 0.515 361 A N 4.032 126.975 122.820 0.205 0.000 2.332 361 A HA 0.675 4.996 4.320 0.001 0.000 0.258 361 A C -2.432 175.195 177.584 0.071 0.000 1.087 361 A CA -1.592 50.522 52.037 0.128 0.000 0.802 361 A CB -0.382 18.686 19.000 0.114 0.000 1.042 361 A HN 0.560 nan 8.150 nan 0.000 0.489 362 P HA 0.103 nan 4.420 nan 0.000 0.259 362 P C 0.657 177.815 177.300 -0.237 0.000 1.155 362 P CA 2.275 65.343 63.100 -0.053 0.000 0.759 362 P CB 0.489 32.234 31.700 0.074 0.000 0.753 363 A N 2.680 125.232 122.820 -0.446 0.000 3.737 363 A HA -0.254 4.066 4.320 0.001 0.000 0.260 363 A C 0.626 177.930 177.584 -0.467 0.000 1.021 363 A CA 0.767 52.440 52.037 -0.608 0.000 1.356 363 A CB -2.363 16.164 19.000 -0.789 0.000 1.043 363 A HN 0.558 nan 8.150 nan 0.000 0.877 364 E N -0.119 119.915 120.200 -0.276 0.000 2.398 364 E HA 0.383 4.734 4.350 0.001 0.000 0.263 364 E C 0.280 176.673 176.600 -0.345 0.000 1.046 364 E CA -0.020 56.218 56.400 -0.272 0.000 0.908 364 E CB 0.330 29.955 29.700 -0.125 0.000 0.963 364 E HN 0.502 nan 8.360 nan 0.000 0.431 365 R N 1.555 121.767 120.500 -0.479 0.000 2.589 365 R HA 0.455 4.796 4.340 0.001 0.000 0.293 365 R C -1.053 174.869 176.300 -0.630 0.000 0.963 365 R CA -0.471 55.420 56.100 -0.348 0.000 0.905 365 R CB 1.081 31.285 30.300 -0.160 0.000 1.144 365 R HN 0.348 nan 8.270 nan 0.000 0.459 366 F N 0.670 120.605 119.950 -0.024 0.000 2.539 366 F HA 0.215 4.743 4.527 0.001 0.000 0.328 366 F C -0.216 175.595 175.800 0.019 0.000 1.148 366 F CA -0.996 57.008 58.000 0.006 0.000 0.940 366 F CB 1.725 40.731 39.000 0.010 0.000 1.194 366 F HN 0.304 nan 8.300 nan 0.000 0.438 367 D N 5.091 125.573 120.400 0.137 0.000 2.380 367 D HA 0.375 5.015 4.640 0.001 0.000 0.230 367 D C -0.887 175.490 176.300 0.129 0.000 1.154 367 D CA 0.109 54.172 54.000 0.106 0.000 0.859 367 D CB 0.604 41.441 40.800 0.061 0.000 1.045 367 D HN 0.457 nan 8.370 nan 0.000 0.495 368 L N 4.084 125.387 121.223 0.134 0.000 2.322 368 L HA 0.454 4.794 4.340 0.001 0.000 0.281 368 L C -0.037 176.905 176.870 0.121 0.000 1.014 368 L CA -0.946 53.974 54.840 0.132 0.000 0.815 368 L CB 1.795 43.926 42.059 0.122 0.000 1.247 368 L HN 0.176 nan 8.230 nan 0.000 0.421 369 L N 3.675 124.995 121.223 0.161 0.000 2.322 369 L HA 0.640 4.981 4.340 0.001 0.000 0.279 369 L C -0.659 176.314 176.870 0.172 0.000 1.036 369 L CA -0.835 54.129 54.840 0.206 0.000 0.807 369 L CB 2.077 44.316 42.059 0.300 0.000 1.226 369 L HN 0.272 nan 8.230 nan 0.000 0.433 370 V N 1.211 121.133 119.914 0.012 0.000 2.524 370 V HA 0.180 4.301 4.120 0.001 0.000 0.297 370 V C -0.890 174.761 176.094 -0.738 0.000 1.035 370 V CA -0.575 61.479 62.300 -0.409 0.000 0.867 370 V CB 1.937 33.352 31.823 -0.681 0.000 1.004 370 V HN 0.649 nan 8.190 nan 0.000 0.426 371 D N 3.969 123.815 120.400 -0.923 0.000 2.456 371 D HA 0.320 4.961 4.640 0.001 0.000 0.219 371 D C 0.179 175.997 176.300 -0.802 0.000 1.126 371 D CA -0.295 52.942 54.000 -1.272 0.000 0.890 371 D CB 0.560 40.430 40.800 -1.550 0.000 1.025 371 D HN 0.346 nan 8.370 nan 0.000 0.511 372 F N 1.918 121.636 119.950 -0.387 0.000 2.692 372 F HA 0.266 4.793 4.527 0.001 0.000 0.303 372 F C 2.072 177.765 175.800 -0.178 0.000 1.114 372 F CA -0.235 57.621 58.000 -0.240 0.000 1.361 372 F CB 0.039 38.927 39.000 -0.185 0.000 1.063 372 F HN 0.243 nan 8.300 nan 0.000 0.550 373 R N 0.480 120.923 120.500 -0.094 0.000 2.127 373 R HA -0.068 4.273 4.340 0.001 0.000 0.238 373 R C 1.748 178.048 176.300 0.001 0.000 1.134 373 R CA 1.200 57.286 56.100 -0.024 0.000 0.975 373 R CB -0.334 29.944 30.300 -0.037 0.000 0.865 373 R HN 0.206 nan 8.270 nan 0.000 0.447 374 A N 0.326 123.134 122.820 -0.019 0.000 2.640 374 A HA 0.228 4.548 4.320 0.001 0.000 0.282 374 A C 0.822 178.413 177.584 0.010 0.000 1.357 374 A CA -0.007 52.029 52.037 -0.001 0.000 0.946 374 A CB 0.092 19.087 19.000 -0.009 0.000 1.065 374 A HN 0.184 nan 8.150 nan 0.000 0.541 375 L N -0.676 120.563 121.223 0.027 0.000 3.429 375 L HA 0.249 4.590 4.340 0.001 0.000 0.311 375 L C 1.182 178.050 176.870 -0.004 0.000 1.274 375 L CA -0.481 54.376 54.840 0.028 0.000 1.037 375 L CB 0.691 42.803 42.059 0.088 0.000 1.433 375 L HN 0.432 nan 8.230 nan 0.000 0.614 376 G N -0.461 108.337 108.800 -0.002 0.000 2.391 376 G HA2 0.287 4.248 3.960 0.001 0.000 0.234 376 G HA3 0.287 4.248 3.960 0.001 0.000 0.234 376 G C 1.175 176.057 174.900 -0.029 0.000 1.284 376 G CA 0.583 45.672 45.100 -0.018 0.000 0.873 376 G HN 0.468 nan 8.290 nan 0.000 0.549 377 G N 0.888 109.663 108.800 -0.043 0.000 2.187 377 G HA2 -0.275 3.686 3.960 0.001 0.000 0.261 377 G HA3 -0.275 3.686 3.960 0.001 0.000 0.261 377 G C 0.669 175.538 174.900 -0.053 0.000 1.000 377 G CA 0.710 45.782 45.100 -0.046 0.000 0.718 377 G HN 0.768 nan 8.290 nan 0.000 0.519 378 R N -0.751 119.711 120.500 -0.063 0.000 2.720 378 R HA 0.717 5.058 4.340 0.001 0.000 0.272 378 R C 0.166 176.413 176.300 -0.089 0.000 0.991 378 R CA -0.905 55.158 56.100 -0.061 0.000 1.010 378 R CB 1.053 31.331 30.300 -0.037 0.000 1.141 378 R HN 0.274 nan 8.270 nan 0.000 0.494 379 R N 1.204 121.655 120.500 -0.081 0.000 2.439 379 R HA 0.506 4.847 4.340 0.001 0.000 0.310 379 R C -0.801 175.450 176.300 -0.080 0.000 0.955 379 R CA -0.402 55.634 56.100 -0.107 0.000 0.853 379 R CB 1.237 31.460 30.300 -0.128 0.000 1.171 379 R HN 0.353 nan 8.270 nan 0.000 0.449 380 L N 2.903 124.096 121.223 -0.051 0.000 2.362 380 L HA 0.650 4.991 4.340 0.001 0.000 0.271 380 L C -0.178 176.691 176.870 -0.001 0.000 1.002 380 L CA -0.975 53.874 54.840 0.015 0.000 0.818 380 L CB 2.221 44.350 42.059 0.118 0.000 1.298 380 L HN 0.387 nan 8.230 nan 0.000 0.420 381 R N 1.706 122.183 120.500 -0.038 0.000 2.637 381 R HA 0.607 4.948 4.340 0.001 0.000 0.291 381 R C -1.291 175.016 176.300 0.011 0.000 0.963 381 R CA -0.982 55.064 56.100 -0.091 0.000 0.901 381 R CB 2.272 32.508 30.300 -0.107 0.000 1.160 381 R HN 0.289 nan 8.270 nan 0.000 0.457 382 L N 3.967 125.215 121.223 0.042 0.000 2.290 382 L HA 0.380 4.720 4.340 0.001 0.000 0.284 382 L C -0.610 176.286 176.870 0.044 0.000 1.078 382 L CA -0.211 54.664 54.840 0.058 0.000 0.815 382 L CB 1.483 43.616 42.059 0.124 0.000 1.162 382 L HN 0.506 nan 8.230 nan 0.000 0.435 383 V N 0.951 120.869 119.914 0.008 0.000 2.914 383 V HA 0.630 4.751 4.120 0.001 0.000 0.314 383 V C -0.690 175.443 176.094 0.064 0.000 1.084 383 V CA -1.000 61.325 62.300 0.042 0.000 0.963 383 V CB 1.935 33.759 31.823 0.002 0.000 1.025 383 V HN 0.672 nan 8.190 nan 0.000 0.432 384 D N 2.297 122.772 120.400 0.125 0.000 2.295 384 D HA 0.244 4.885 4.640 0.001 0.000 0.248 384 D C -0.285 176.027 176.300 0.020 0.000 1.154 384 D CA 0.016 54.089 54.000 0.122 0.000 0.857 384 D CB 1.263 42.159 40.800 0.161 0.000 1.117 384 D HN 0.754 nan 8.370 nan 0.000 0.468 385 K N 2.741 123.138 120.400 -0.005 0.000 2.258 385 K HA 0.498 4.819 4.320 0.001 0.000 0.284 385 K C 0.160 176.729 176.600 -0.052 0.000 1.051 385 K CA -0.650 55.618 56.287 -0.032 0.000 0.923 385 K CB 0.894 33.378 32.500 -0.027 0.000 1.046 385 K HN 0.532 nan 8.250 nan 0.000 0.474 386 G N 3.763 112.523 108.800 -0.066 0.000 2.448 386 G HA2 0.201 4.162 3.960 0.001 0.000 0.285 386 G HA3 0.201 4.162 3.960 0.001 0.000 0.285 386 G C -1.646 173.211 174.900 -0.071 0.000 1.176 386 G CA -1.344 43.704 45.100 -0.085 0.000 0.852 386 G HN 0.467 nan 8.290 nan 0.000 0.530 387 P HA -0.061 nan 4.420 nan 0.000 0.218 387 P C 1.435 178.702 177.300 -0.055 0.000 1.148 387 P CA 1.525 64.588 63.100 -0.062 0.000 0.822 387 P CB 0.280 31.937 31.700 -0.071 0.000 0.784 388 G N -1.637 107.124 108.800 -0.064 0.000 3.233 388 G HA2 0.486 4.447 3.960 0.001 0.000 0.234 388 G HA3 0.486 4.447 3.960 0.001 0.000 0.234 388 G C 0.182 175.051 174.900 -0.052 0.000 1.137 388 G CA 0.492 45.558 45.100 -0.057 0.000 0.763 388 G HN 0.541 nan 8.290 nan 0.000 0.549 389 A N -0.181 122.608 122.820 -0.051 0.000 2.604 389 A HA 0.767 5.088 4.320 0.001 0.000 0.295 389 A C -3.102 174.457 177.584 -0.042 0.000 1.067 389 A CA -1.174 50.835 52.037 -0.047 0.000 0.683 389 A CB 1.104 20.071 19.000 -0.054 0.000 1.281 389 A HN -0.026 nan 8.150 nan 0.000 0.407 390 P HA 0.337 nan 4.420 nan 0.000 0.268 390 P C 0.142 177.418 177.300 -0.041 0.000 1.208 390 P CA 0.360 63.439 63.100 -0.034 0.000 0.777 390 P CB 0.454 32.136 31.700 -0.030 0.000 0.875 391 A N 2.385 125.178 122.820 -0.044 0.000 2.566 391 A HA 0.367 4.687 4.320 0.001 0.000 0.245 391 A C 1.606 179.157 177.584 -0.054 0.000 1.056 391 A CA 0.938 52.941 52.037 -0.058 0.000 0.757 391 A CB -1.571 17.378 19.000 -0.086 0.000 0.979 391 A HN 0.905 nan 8.150 nan 0.000 0.508 392 G N 2.044 110.815 108.800 -0.049 0.000 2.241 392 G HA2 -0.204 3.757 3.960 0.001 0.000 0.244 392 G HA3 -0.204 3.757 3.960 0.001 0.000 0.244 392 G C 0.461 175.336 174.900 -0.041 0.000 0.998 392 G CA 0.486 45.562 45.100 -0.041 0.000 0.621 392 G HN 1.239 nan 8.290 nan 0.000 0.519 393 T N 3.724 118.251 114.554 -0.045 0.000 2.799 393 T HA 0.556 4.907 4.350 0.001 0.000 0.286 393 T C -2.295 172.369 174.700 -0.059 0.000 0.973 393 T CA -0.804 61.267 62.100 -0.048 0.000 1.035 393 T CB 2.095 70.936 68.868 -0.044 0.000 0.932 393 T HN 0.056 nan 8.240 nan 0.000 0.469 394 P HA 0.203 nan 4.420 nan 0.000 0.268 394 P C -0.470 176.768 177.300 -0.103 0.000 1.205 394 P CA 0.004 63.047 63.100 -0.095 0.000 0.771 394 P CB 0.411 32.048 31.700 -0.105 0.000 0.858 395 D N 3.417 123.742 120.400 -0.124 0.000 2.656 395 D HA 0.153 4.793 4.640 0.001 0.000 0.303 395 D C -1.745 174.463 176.300 -0.153 0.000 1.199 395 D CA -2.019 51.908 54.000 -0.122 0.000 0.797 395 D CB 0.410 41.148 40.800 -0.105 0.000 1.170 395 D HN 0.043 nan 8.370 nan 0.000 0.509 396 P HA -0.160 nan 4.420 nan 0.000 0.215 396 P C 1.974 179.176 177.300 -0.164 0.000 1.153 396 P CA 0.567 63.550 63.100 -0.196 0.000 0.853 396 P CB 0.656 32.237 31.700 -0.200 0.000 0.788 397 L N -0.592 120.551 121.223 -0.133 0.000 2.081 397 L HA -0.125 4.216 4.340 0.001 0.000 0.212 397 L C 2.490 179.280 176.870 -0.133 0.000 1.080 397 L CA 1.893 56.662 54.840 -0.118 0.000 0.754 397 L CB -1.236 40.767 42.059 -0.094 0.000 0.893 397 L HN 0.089 nan 8.230 nan 0.000 0.433 398 G N -2.039 106.678 108.800 -0.138 0.000 3.088 398 G HA2 0.246 4.207 3.960 0.001 0.000 0.212 398 G HA3 0.246 4.207 3.960 0.001 0.000 0.212 398 G C 1.117 175.899 174.900 -0.197 0.000 1.173 398 G CA 0.414 45.423 45.100 -0.152 0.000 0.779 398 G HN 0.546 nan 8.290 nan 0.000 0.540 399 G N -1.268 107.404 108.800 -0.214 0.000 2.143 399 G HA2 -0.215 3.746 3.960 0.001 0.000 0.249 399 G HA3 -0.215 3.746 3.960 0.001 0.000 0.249 399 G C 0.101 174.856 174.900 -0.242 0.000 0.981 399 G CA 0.183 45.125 45.100 -0.263 0.000 0.665 399 G HN 0.912 nan 8.290 nan 0.000 0.528 400 V N 0.849 120.640 119.914 -0.204 0.000 2.315 400 V HA 0.392 4.513 4.120 0.001 0.000 0.265 400 V C 1.365 177.339 176.094 -0.200 0.000 1.019 400 V CA 0.175 62.370 62.300 -0.175 0.000 0.824 400 V CB 0.886 32.630 31.823 -0.132 0.000 1.072 400 V HN 0.399 nan 8.190 nan 0.000 0.448 401 R N 2.730 123.052 120.500 -0.296 0.000 2.090 401 R HA 0.030 4.371 4.340 0.001 0.000 0.228 401 R C -0.232 175.749 176.300 -0.531 0.000 1.110 401 R CA 1.222 57.026 56.100 -0.492 0.000 0.973 401 R CB 0.200 30.046 30.300 -0.757 0.000 0.869 401 R HN 0.594 nan 8.270 nan 0.000 0.440 402 Y N -0.304 119.953 120.300 -0.072 0.000 2.555 402 Y HA 0.327 4.878 4.550 0.001 0.000 0.326 402 Y C -1.886 173.969 175.900 -0.076 0.000 0.984 402 Y CA -2.675 55.367 58.100 -0.097 0.000 1.298 402 Y CB 2.014 40.489 38.460 0.025 0.000 1.094 402 Y HN 0.071 nan 8.280 nan 0.000 0.500 403 P HA -0.148 nan 4.420 nan 0.000 0.218 403 P C -0.347 176.973 177.300 0.033 0.000 1.148 403 P CA 1.106 64.216 63.100 0.016 0.000 0.822 403 P CB 0.231 31.917 31.700 -0.023 0.000 0.784 404 E N -0.924 119.198 120.200 -0.131 0.000 2.900 404 E HA -0.065 4.286 4.350 0.001 0.000 0.259 404 E C 0.905 177.591 176.600 0.143 0.000 0.918 404 E CA 0.360 56.641 56.400 -0.199 0.000 0.960 404 E CB 0.109 29.141 29.700 -1.114 0.000 0.908 404 E HN -0.036 nan 8.360 nan 0.000 0.511 405 V N 3.118 123.187 119.914 0.259 0.000 3.097 405 V HA 0.262 4.383 4.120 0.001 0.000 0.223 405 V C 0.437 176.736 176.094 0.342 0.000 1.199 405 V CA 1.027 63.511 62.300 0.306 0.000 1.260 405 V CB -0.065 31.837 31.823 0.132 0.000 1.155 405 V HN 0.795 nan 8.190 nan 0.000 0.509 406 M N -0.858 118.873 119.600 0.219 0.000 2.773 406 M HA 0.636 5.117 4.480 0.001 0.000 0.270 406 M C -1.379 174.736 176.300 -0.309 0.000 1.238 406 M CA -0.553 54.809 55.300 0.104 0.000 0.832 406 M CB 2.696 35.206 32.600 -0.151 0.000 1.672 406 M HN 0.058 nan 8.290 nan 0.000 0.480 407 E N 0.946 120.750 120.200 -0.659 0.000 2.183 407 E HA 0.618 4.969 4.350 0.001 0.000 0.271 407 E C -2.048 174.152 176.600 -0.666 0.000 0.919 407 E CA -0.671 55.226 56.400 -0.838 0.000 0.781 407 E CB 1.676 30.621 29.700 -1.259 0.000 1.140 407 E HN 0.584 nan 8.360 nan 0.000 0.402 408 F N 2.969 122.758 119.950 -0.268 0.000 2.415 408 F HA 0.427 4.954 4.527 0.001 0.000 0.348 408 F C 0.375 175.982 175.800 -0.322 0.000 1.119 408 F CA -0.763 57.058 58.000 -0.298 0.000 1.069 408 F CB 1.298 40.076 39.000 -0.370 0.000 1.124 408 F HN 0.211 nan 8.300 nan 0.000 0.472 409 R N 3.045 123.470 120.500 -0.125 0.000 2.275 409 R HA 0.471 4.811 4.340 0.001 0.000 0.326 409 R C -1.357 174.828 176.300 -0.192 0.000 0.973 409 R CA -0.740 55.265 56.100 -0.157 0.000 0.854 409 R CB 1.429 31.640 30.300 -0.147 0.000 1.156 409 R HN 0.374 nan 8.270 nan 0.000 0.487 410 V N 3.853 123.628 119.914 -0.232 0.000 2.389 410 V HA 0.195 4.315 4.120 0.001 0.000 0.264 410 V C 0.746 176.763 176.094 -0.128 0.000 1.049 410 V CA -0.514 61.635 62.300 -0.251 0.000 0.932 410 V CB 0.593 32.247 31.823 -0.280 0.000 1.011 410 V HN 0.617 nan 8.190 nan 0.000 0.475 411 R N 3.544 123.990 120.500 -0.089 0.000 2.389 411 R HA 0.211 4.552 4.340 0.001 0.000 0.295 411 R C 0.221 176.511 176.300 -0.018 0.000 1.075 411 R CA -0.391 55.685 56.100 -0.041 0.000 1.005 411 R CB 0.645 30.936 30.300 -0.015 0.000 0.987 411 R HN 0.838 nan 8.270 nan 0.000 0.452 412 E N 3.072 123.264 120.200 -0.013 0.000 2.217 412 E HA 0.033 4.383 4.350 0.001 0.000 0.279 412 E C -0.501 176.107 176.600 0.013 0.000 1.068 412 E CA -0.201 56.200 56.400 0.002 0.000 0.882 412 E CB 0.738 30.437 29.700 -0.001 0.000 1.039 412 E HN 0.698 nan 8.360 nan 0.000 0.418 413 T N 0.278 114.848 114.554 0.026 0.000 2.844 413 T HA 0.331 4.682 4.350 0.001 0.000 0.274 413 T C 0.344 175.062 174.700 0.030 0.000 0.991 413 T CA -0.790 61.328 62.100 0.030 0.000 0.983 413 T CB 1.205 70.098 68.868 0.041 0.000 1.310 413 T HN 0.497 nan 8.240 nan 0.000 0.596 414 C N 1.059 120.377 119.300 0.030 0.000 2.638 414 C HA 0.470 4.931 4.460 0.001 0.000 0.282 414 C C 0.316 175.327 174.990 0.036 0.000 1.473 414 C CA -0.384 58.652 59.018 0.030 0.000 1.781 414 C CB -2.092 25.661 27.740 0.023 0.000 2.780 414 C HN 0.811 nan 8.230 nan 0.000 0.531 415 E N 1.142 121.369 120.200 0.045 0.000 2.214 415 E HA 0.302 4.653 4.350 0.001 0.000 0.274 415 E C -0.194 176.445 176.600 0.065 0.000 0.977 415 E CA -0.167 56.264 56.400 0.051 0.000 0.827 415 E CB 0.883 30.615 29.700 0.053 0.000 1.130 415 E HN 0.307 nan 8.360 nan 0.000 0.394 416 E N 1.709 121.949 120.200 0.066 0.000 2.197 416 E HA 0.111 4.462 4.350 0.001 0.000 0.281 416 E C -1.053 175.611 176.600 0.108 0.000 0.995 416 E CA -0.384 56.066 56.400 0.083 0.000 0.808 416 E CB 1.292 31.031 29.700 0.066 0.000 1.093 416 E HN 0.350 nan 8.360 nan 0.000 0.394 417 D N 1.533 122.029 120.400 0.160 0.000 2.427 417 D HA 0.081 4.722 4.640 0.001 0.000 0.226 417 D C 0.552 176.990 176.300 0.230 0.000 1.076 417 D CA -0.240 53.895 54.000 0.224 0.000 0.849 417 D CB 0.823 41.842 40.800 0.365 0.000 1.052 417 D HN 0.236 nan 8.370 nan 0.000 0.515 418 S N 3.237 119.022 115.700 0.142 0.000 2.603 418 S HA -0.016 4.455 4.470 0.001 0.000 0.220 418 S C 0.997 175.611 174.600 0.024 0.000 0.967 418 S CA -0.592 57.658 58.200 0.082 0.000 0.920 418 S CB -0.405 62.814 63.200 0.033 0.000 0.773 418 S HN 0.463 nan 8.310 nan 0.000 0.529 419 F N 3.471 123.338 119.950 -0.138 0.000 2.594 419 F HA 0.226 4.754 4.527 0.001 0.000 0.384 419 F C 0.443 175.991 175.800 -0.419 0.000 1.060 419 F CA -0.269 57.510 58.000 -0.368 0.000 1.278 419 F CB 0.002 38.568 39.000 -0.723 0.000 0.977 419 F HN 0.250 nan 8.300 nan 0.000 0.576 420 A N 7.130 129.175 122.820 -1.292 0.000 2.331 420 A HA 0.618 4.939 4.320 0.001 0.000 0.320 420 A C -1.659 175.161 177.584 -1.272 0.000 1.138 420 A CA -0.804 50.652 52.037 -0.969 0.000 0.790 420 A CB 1.251 19.944 19.000 -0.512 0.000 1.206 420 A HN 0.805 nan 8.150 nan 0.000 0.470 421 L N 5.138 125.883 121.223 -0.796 0.000 2.264 421 L HA 0.547 4.888 4.340 0.001 0.000 0.287 421 L C -1.994 174.699 176.870 -0.294 0.000 1.039 421 L CA -1.608 52.918 54.840 -0.524 0.000 0.829 421 L CB 0.635 42.467 42.059 -0.378 0.000 1.211 421 L HN 0.531 nan 8.230 nan 0.000 0.427 422 P HA 0.168 nan 4.420 nan 0.000 0.272 422 P C 0.065 177.308 177.300 -0.095 0.000 1.230 422 P CA -0.254 62.753 63.100 -0.155 0.000 0.788 422 P CB 0.829 32.449 31.700 -0.134 0.000 0.949 423 E N -0.347 119.814 120.200 -0.065 0.000 2.107 423 E HA 0.012 4.362 4.350 0.001 0.000 0.191 423 E C 0.301 176.884 176.600 -0.029 0.000 0.982 423 E CA 0.918 57.297 56.400 -0.036 0.000 0.809 423 E CB 0.033 29.718 29.700 -0.025 0.000 0.756 423 E HN 0.205 nan 8.360 nan 0.000 0.459 424 V N 1.763 121.658 119.914 -0.032 0.000 2.483 424 V HA 0.081 4.202 4.120 0.001 0.000 0.295 424 V C 0.694 176.769 176.094 -0.032 0.000 1.035 424 V CA -0.174 62.112 62.300 -0.023 0.000 0.896 424 V CB 1.935 33.754 31.823 -0.008 0.000 0.986 424 V HN 0.050 nan 8.190 nan 0.000 0.447 425 L N 3.754 124.960 121.223 -0.028 0.000 2.445 425 L HA 0.416 4.757 4.340 0.001 0.000 0.207 425 L C 1.106 177.973 176.870 -0.006 0.000 1.053 425 L CA 1.078 55.901 54.840 -0.028 0.000 0.841 425 L CB 0.702 42.742 42.059 -0.030 0.000 1.074 425 L HN 0.664 nan 8.230 nan 0.000 0.479 426 S N -1.111 114.599 115.700 0.016 0.000 2.478 426 S HA 0.514 4.984 4.470 0.001 0.000 0.312 426 S C 1.007 175.658 174.600 0.085 0.000 1.094 426 S CA -0.222 58.013 58.200 0.059 0.000 1.081 426 S CB 1.455 64.718 63.200 0.104 0.000 1.007 426 S HN 0.322 nan 8.310 nan 0.000 0.475 427 G N 2.469 111.306 108.800 0.061 0.000 2.448 427 G HA2 -0.091 3.870 3.960 0.001 0.000 0.218 427 G HA3 -0.091 3.870 3.960 0.001 0.000 0.218 427 G C 1.435 176.378 174.900 0.072 0.000 1.135 427 G CA 0.836 45.969 45.100 0.056 0.000 0.784 427 G HN 0.986 nan 8.290 nan 0.000 0.543 428 S N -0.433 115.321 115.700 0.090 0.000 2.501 428 S HA 0.210 4.680 4.470 0.001 0.000 0.220 428 S C 0.828 175.490 174.600 0.103 0.000 0.997 428 S CA -0.642 57.602 58.200 0.073 0.000 0.919 428 S CB -0.297 62.937 63.200 0.056 0.000 0.778 428 S HN 0.131 nan 8.310 nan 0.000 0.523 429 F N 4.798 124.775 119.950 0.046 0.000 2.571 429 F HA 0.319 4.847 4.527 0.001 0.000 0.390 429 F C 0.360 176.175 175.800 0.025 0.000 1.043 429 F CA -0.413 57.619 58.000 0.054 0.000 1.164 429 F CB 0.335 39.340 39.000 0.008 0.000 1.049 429 F HN -0.015 nan 8.300 nan 0.000 0.552 430 R N 4.979 125.019 120.500 -0.767 0.000 2.387 430 R HA 0.274 4.614 4.340 0.001 0.000 0.314 430 R C -0.534 175.183 176.300 -0.973 0.000 0.958 430 R CA -1.314 54.408 56.100 -0.630 0.000 0.846 430 R CB 1.327 31.453 30.300 -0.289 0.000 1.147 430 R HN 0.580 nan 8.270 nan 0.000 0.447 431 R N 2.702 122.838 120.500 -0.608 0.000 2.502 431 R HA 0.042 4.382 4.340 0.001 0.000 0.292 431 R C 0.102 176.290 176.300 -0.187 0.000 0.998 431 R CA 0.397 56.324 56.100 -0.288 0.000 1.056 431 R CB 0.275 30.558 30.300 -0.028 0.000 0.939 431 R HN 0.458 nan 8.270 nan 0.000 0.411 432 M N 3.340 122.865 119.600 -0.124 0.000 2.268 432 M HA 0.029 4.510 4.480 0.001 0.000 0.349 432 M C 0.056 176.328 176.300 -0.047 0.000 1.485 432 M CA 0.577 55.834 55.300 -0.072 0.000 1.094 432 M CB 0.811 33.398 32.600 -0.022 0.000 1.843 432 M HN 0.669 nan 8.290 nan 0.000 0.460 433 S N 2.565 118.222 115.700 -0.071 0.000 2.489 433 S HA 0.183 4.654 4.470 0.001 0.000 0.291 433 S C 1.093 175.665 174.600 -0.048 0.000 1.151 433 S CA -0.542 57.637 58.200 -0.035 0.000 1.082 433 S CB 0.636 63.813 63.200 -0.037 0.000 1.019 433 S HN 0.775 nan 8.310 nan 0.000 0.492 434 H N 3.155 122.186 119.070 -0.066 0.000 2.518 434 H HA -0.067 4.490 4.556 0.001 0.000 0.289 434 H C 0.422 175.790 175.328 0.066 0.000 1.051 434 H CA 1.528 57.544 56.048 -0.053 0.000 1.280 434 H CB 0.261 30.033 29.762 0.016 0.000 1.380 434 H HN 0.666 nan 8.280 nan 0.000 0.566 435 D N 0.715 121.144 120.400 0.049 0.000 2.264 435 D HA -0.050 4.591 4.640 0.001 0.000 0.208 435 D C 0.961 177.242 176.300 -0.032 0.000 0.966 435 D CA 0.212 54.228 54.000 0.026 0.000 0.864 435 D CB -0.003 40.812 40.800 0.025 0.000 0.933 435 D HN 0.365 nan 8.370 nan 0.000 0.499 436 I N 1.310 121.822 120.570 -0.097 0.000 2.648 436 I HA 0.039 4.209 4.170 0.001 0.000 0.284 436 I C -2.199 173.892 176.117 -0.043 0.000 1.153 436 I CA -1.684 59.522 61.300 -0.158 0.000 1.426 436 I CB 0.844 38.622 38.000 -0.370 0.000 1.381 436 I HN -0.218 nan 8.210 nan 0.000 0.571 437 P HA 0.154 nan 4.420 nan 0.000 0.271 437 P C -1.548 175.773 177.300 0.034 0.000 1.216 437 P CA 0.373 63.455 63.100 -0.030 0.000 0.771 437 P CB 0.428 32.107 31.700 -0.035 0.000 0.864 438 H N 0.284 119.283 119.070 -0.118 0.000 3.046 438 H HA 0.579 5.136 4.556 0.001 0.000 0.361 438 H C -0.351 174.866 175.328 -0.185 0.000 1.235 438 H CA -1.130 54.844 56.048 -0.123 0.000 1.146 438 H CB 0.725 30.371 29.762 -0.193 0.000 1.859 438 H HN 0.477 nan 8.280 nan 0.000 0.548 439 G N 0.115 108.873 108.800 -0.071 0.000 2.588 439 G HA2 0.415 4.375 3.960 0.001 0.000 0.281 439 G HA3 0.415 4.375 3.960 0.001 0.000 0.281 439 G C -1.178 173.561 174.900 -0.269 0.000 1.236 439 G CA -0.423 44.607 45.100 -0.118 0.000 0.969 439 G HN 0.706 nan 8.290 nan 0.000 0.504 440 H N -0.691 118.375 119.070 -0.006 0.000 2.759 440 H HA 0.547 5.104 4.556 0.001 0.000 0.354 440 H C -0.327 174.864 175.328 -0.228 0.000 1.074 440 H CA -0.769 55.273 56.048 -0.010 0.000 1.226 440 H CB 1.796 31.573 29.762 0.024 0.000 1.648 440 H HN 0.219 nan 8.280 nan 0.000 0.529 441 R N 1.955 122.274 120.500 -0.301 0.000 2.670 441 R HA 0.475 4.816 4.340 0.001 0.000 0.289 441 R C -1.323 174.721 176.300 -0.428 0.000 0.965 441 R CA -1.222 54.477 56.100 -0.668 0.000 0.899 441 R CB 2.489 31.780 30.300 -1.681 0.000 1.173 441 R HN 0.476 nan 8.270 nan 0.000 0.456 442 L N 3.214 124.235 121.223 -0.336 0.000 2.349 442 L HA 0.529 4.870 4.340 0.001 0.000 0.278 442 L C -1.196 175.555 176.870 -0.199 0.000 0.996 442 L CA -0.411 54.252 54.840 -0.294 0.000 0.825 442 L CB 1.261 43.089 42.059 -0.384 0.000 1.243 442 L HN 0.418 nan 8.230 nan 0.000 0.412 443 I N 6.884 127.331 120.570 -0.206 0.000 2.437 443 I HA 0.304 4.475 4.170 0.001 0.000 0.279 443 I C -0.220 175.899 176.117 0.004 0.000 1.028 443 I CA -0.594 60.679 61.300 -0.044 0.000 1.142 443 I CB 1.359 39.300 38.000 -0.099 0.000 1.266 443 I HN 0.232 nan 8.210 nan 0.000 0.461 444 V N 6.819 126.747 119.914 0.024 0.000 2.530 444 V HA 0.263 4.384 4.120 0.001 0.000 0.282 444 V C 0.055 176.088 176.094 -0.101 0.000 1.048 444 V CA -0.391 61.867 62.300 -0.070 0.000 0.997 444 V CB 1.863 33.637 31.823 -0.082 0.000 0.987 444 V HN 0.335 nan 8.190 nan 0.000 0.477 445 L N 5.568 126.686 121.223 -0.174 0.000 2.280 445 L HA 0.512 4.853 4.340 0.001 0.000 0.287 445 L C 0.496 177.140 176.870 -0.378 0.000 1.023 445 L CA 0.220 54.917 54.840 -0.239 0.000 0.819 445 L CB 1.707 43.671 42.059 -0.157 0.000 1.212 445 L HN 0.869 nan 8.230 nan 0.000 0.420 446 T N 1.991 116.245 114.554 -0.501 0.000 2.943 446 T HA 0.737 5.088 4.350 0.001 0.000 0.284 446 T C -2.633 171.899 174.700 -0.280 0.000 1.015 446 T CA -2.021 59.728 62.100 -0.584 0.000 1.042 446 T CB 1.673 69.977 68.868 -0.940 0.000 1.055 446 T HN 0.295 nan 8.240 nan 0.000 0.500 447 P HA 0.317 nan 4.420 nan 0.000 0.277 447 P C -2.206 175.086 177.300 -0.014 0.000 1.240 447 P CA -1.846 61.229 63.100 -0.043 0.000 0.798 447 P CB 0.455 32.162 31.700 0.013 0.000 0.979 448 P HA -0.136 nan 4.420 nan 0.000 0.216 448 P C 1.372 178.682 177.300 0.018 0.000 1.150 448 P CA 1.975 65.081 63.100 0.010 0.000 0.843 448 P CB -0.423 31.284 31.700 0.012 0.000 0.787 449 G N -1.342 107.478 108.800 0.032 0.000 3.279 449 G HA2 -0.010 3.951 3.960 0.001 0.000 0.230 449 G HA3 -0.010 3.951 3.960 0.001 0.000 0.230 449 G C 0.122 175.062 174.900 0.067 0.000 1.230 449 G CA 0.046 45.169 45.100 0.037 0.000 0.891 449 G HN 0.174 nan 8.290 nan 0.000 0.518 450 T N 0.788 115.399 114.554 0.095 0.000 2.884 450 T HA 0.235 4.585 4.350 0.001 0.000 0.298 450 T C 0.610 175.411 174.700 0.169 0.000 0.998 450 T CA -0.316 61.878 62.100 0.157 0.000 1.124 450 T CB 1.253 70.234 68.868 0.187 0.000 0.931 450 T HN 0.380 nan 8.240 nan 0.000 0.531 451 K N 2.366 122.861 120.400 0.159 0.000 2.477 451 K HA 0.144 4.465 4.320 0.001 0.000 0.275 451 K C 1.203 177.916 176.600 0.189 0.000 1.054 451 K CA 1.245 57.617 56.287 0.142 0.000 1.135 451 K CB -0.823 31.740 32.500 0.105 0.000 0.854 451 K HN 0.860 nan 8.250 nan 0.000 0.484 452 G N 2.604 111.487 108.800 0.139 0.000 2.132 452 G HA2 -0.289 3.672 3.960 0.001 0.000 0.234 452 G HA3 -0.289 3.672 3.960 0.001 0.000 0.234 452 G C 0.450 175.449 174.900 0.166 0.000 0.989 452 G CA 0.544 45.725 45.100 0.134 0.000 0.676 452 G HN 1.120 nan 8.290 nan 0.000 0.522 453 S N -0.778 115.027 115.700 0.175 0.000 2.559 453 S HA 0.462 4.932 4.470 0.001 0.000 0.226 453 S C 1.962 176.671 174.600 0.182 0.000 1.000 453 S CA 1.116 59.437 58.200 0.201 0.000 0.948 453 S CB 0.577 63.903 63.200 0.210 0.000 0.870 453 S HN 2.206 nan 8.310 nan 0.000 0.497 454 G N 1.188 110.061 108.800 0.122 0.000 2.296 454 G HA2 0.012 3.973 3.960 0.001 0.000 0.282 454 G HA3 0.012 3.973 3.960 0.001 0.000 0.282 454 G C 1.130 175.970 174.900 -0.100 0.000 1.014 454 G CA 0.409 45.554 45.100 0.074 0.000 0.812 454 G HN 1.933 nan 8.290 nan 0.000 0.508 455 G N -1.863 106.880 108.800 -0.094 0.000 2.141 455 G HA2 -0.238 3.722 3.960 0.001 0.000 0.242 455 G HA3 -0.238 3.722 3.960 0.001 0.000 0.242 455 G C 0.091 174.808 174.900 -0.306 0.000 0.982 455 G CA 0.633 45.619 45.100 -0.190 0.000 0.662 455 G HN 1.278 nan 8.290 nan 0.000 0.527 456 H N 0.891 119.997 119.070 0.060 0.000 2.457 456 H HA 0.399 4.955 4.556 0.001 0.000 0.335 456 H C -2.177 173.148 175.328 -0.005 0.000 1.115 456 H CA -1.567 54.503 56.048 0.037 0.000 1.219 456 H CB 1.801 31.595 29.762 0.054 0.000 1.471 456 H HN 0.167 nan 8.280 nan 0.000 0.491 457 P HA 0.043 nan 4.420 nan 0.000 0.268 457 P C -0.376 176.894 177.300 -0.051 0.000 1.208 457 P CA 0.132 63.197 63.100 -0.059 0.000 0.777 457 P CB 1.482 33.111 31.700 -0.117 0.000 0.875 458 E N 0.469 120.600 120.200 -0.115 0.000 2.392 458 E HA 0.506 4.857 4.350 0.001 0.000 0.269 458 E C -0.544 176.008 176.600 -0.081 0.000 0.924 458 E CA -0.987 55.395 56.400 -0.030 0.000 0.784 458 E CB 1.709 31.506 29.700 0.161 0.000 1.292 458 E HN 0.342 nan 8.360 nan 0.000 0.447 459 I N 1.674 122.294 120.570 0.084 0.000 2.342 459 I HA 0.197 4.368 4.170 0.001 0.000 0.291 459 I C -0.913 175.442 176.117 0.398 0.000 1.010 459 I CA -0.266 61.135 61.300 0.167 0.000 1.308 459 I CB 0.495 38.596 38.000 0.168 0.000 1.400 459 I HN 0.252 nan 8.210 nan 0.000 0.488 460 W N 5.544 126.861 121.300 0.028 0.000 2.362 460 W HA 0.401 5.062 4.660 0.001 0.000 0.316 460 W C -0.089 176.443 176.519 0.021 0.000 1.024 460 W CA -1.029 56.325 57.345 0.016 0.000 1.270 460 W CB 0.721 30.182 29.460 0.001 0.000 1.273 460 W HN 0.402 nan 8.180 nan 0.000 0.424 461 E N 3.634 123.941 120.200 0.178 0.000 2.316 461 E HA 0.287 4.638 4.350 0.001 0.000 0.275 461 E C 0.043 176.706 176.600 0.104 0.000 1.029 461 E CA -0.203 56.264 56.400 0.112 0.000 0.871 461 E CB 0.877 30.547 29.700 -0.050 0.000 1.022 461 E HN 0.072 nan 8.360 nan 0.000 0.418 462 M N 1.980 121.645 119.600 0.109 0.000 2.294 462 M HA 0.458 4.939 4.480 0.001 0.000 0.335 462 M C -0.374 176.000 176.300 0.123 0.000 1.079 462 M CA -0.848 54.514 55.300 0.102 0.000 0.982 462 M CB 1.423 34.051 32.600 0.047 0.000 1.651 462 M HN 0.447 nan 8.290 nan 0.000 0.437 463 A N 2.368 125.275 122.820 0.145 0.000 2.305 463 A HA 0.515 4.836 4.320 0.001 0.000 0.322 463 A C -0.103 177.617 177.584 0.227 0.000 1.187 463 A CA -0.604 51.524 52.037 0.151 0.000 0.825 463 A CB 0.762 19.813 19.000 0.086 0.000 1.164 463 A HN 0.856 nan 8.150 nan 0.000 0.498 464 E N 1.022 121.361 120.200 0.232 0.000 2.383 464 E HA 0.404 4.754 4.350 0.001 0.000 0.264 464 E C -0.963 175.609 176.600 -0.046 0.000 1.050 464 E CA -0.081 56.340 56.400 0.034 0.000 0.896 464 E CB 1.030 30.701 29.700 -0.048 0.000 0.982 464 E HN 0.499 nan 8.360 nan 0.000 0.424 465 V N 3.118 122.958 119.914 -0.125 0.000 3.074 465 V HA 0.510 4.630 4.120 0.001 0.000 0.314 465 V C -1.062 174.976 176.094 -0.095 0.000 1.117 465 V CA -0.238 62.017 62.300 -0.075 0.000 1.014 465 V CB 1.900 33.698 31.823 -0.041 0.000 1.057 465 V HN 0.924 nan 8.190 nan 0.000 0.438 473 V N 2.699 122.621 119.914 0.012 0.000 2.532 473 V HA 0.855 4.976 4.120 0.001 0.000 0.295 473 V C -2.062 174.041 176.094 0.015 0.000 1.041 473 V CA -1.617 60.695 62.300 0.020 0.000 0.926 473 V CB 1.203 33.042 31.823 0.026 0.000 0.992 473 V HN 0.739 nan 8.190 nan 0.000 0.457 474 P HA 0.680 nan 4.420 nan 0.000 0.272 474 P C -0.967 176.343 177.300 0.016 0.000 1.230 474 P CA -0.140 62.971 63.100 0.019 0.000 0.788 474 P CB 0.935 32.640 31.700 0.008 0.000 0.949 475 A N 0.083 122.918 122.820 0.025 0.000 2.605 475 A HA 0.362 4.683 4.320 0.001 0.000 0.294 475 A C -0.820 176.784 177.584 0.033 0.000 1.062 475 A CA -0.738 51.311 52.037 0.020 0.000 0.682 475 A CB 0.850 19.860 19.000 0.017 0.000 1.278 475 A HN 0.587 nan 8.150 nan 0.000 0.410 476 E N 0.455 120.668 120.200 0.022 0.000 2.480 476 E HA 0.343 4.694 4.350 0.001 0.000 0.258 476 E C 1.202 177.813 176.600 0.019 0.000 0.984 476 E CA 1.407 57.826 56.400 0.032 0.000 0.930 476 E CB 0.127 29.834 29.700 0.012 0.000 0.936 476 E HN 2.108 nan 8.360 nan 0.000 0.466 477 G N 2.826 111.662 108.800 0.061 0.000 2.176 477 G HA2 -0.245 3.716 3.960 0.001 0.000 0.253 477 G HA3 -0.245 3.716 3.960 0.001 0.000 0.253 477 G C -0.074 174.881 174.900 0.092 0.000 0.979 477 G CA 0.138 45.203 45.100 -0.057 0.000 0.641 477 G HN 0.505 nan 8.290 nan 0.000 0.530 478 V N 1.651 121.661 119.914 0.161 0.000 2.384 478 V HA 0.695 4.816 4.120 0.001 0.000 0.287 478 V C 0.330 176.573 176.094 0.248 0.000 1.020 478 V CA -0.600 61.800 62.300 0.166 0.000 0.850 478 V CB 1.637 33.518 31.823 0.095 0.000 0.987 478 V HN 0.303 nan 8.190 nan 0.000 0.436 479 I N 4.531 125.270 120.570 0.282 0.000 2.545 479 I HA 0.484 4.654 4.170 0.001 0.000 0.292 479 I C -0.321 175.961 176.117 0.275 0.000 1.040 479 I CA -0.534 60.950 61.300 0.308 0.000 1.068 479 I CB 2.252 40.444 38.000 0.321 0.000 1.251 479 I HN 0.540 nan 8.210 nan 0.000 0.424 480 Q N 4.398 124.331 119.800 0.221 0.000 2.306 480 Q HA 0.707 5.047 4.340 0.001 0.000 0.265 480 Q C -1.375 174.743 176.000 0.196 0.000 1.022 480 Q CA -0.860 55.056 55.803 0.188 0.000 0.853 480 Q CB 3.355 32.164 28.738 0.117 0.000 1.327 480 Q HN 0.387 nan 8.270 nan 0.000 0.449 481 V N 1.635 121.681 119.914 0.221 0.000 2.482 481 V HA 0.268 4.389 4.120 0.001 0.000 0.295 481 V C -0.531 175.677 176.094 0.190 0.000 1.026 481 V CA -0.766 61.661 62.300 0.211 0.000 0.856 481 V CB 1.924 33.883 31.823 0.227 0.000 1.001 481 V HN 0.770 nan 8.190 nan 0.000 0.424 482 T N 4.570 119.228 114.554 0.174 0.000 2.727 482 T HA 0.473 4.824 4.350 0.001 0.000 0.298 482 T C 0.774 175.576 174.700 0.170 0.000 0.942 482 T CA 0.170 62.353 62.100 0.139 0.000 0.997 482 T CB 1.043 69.975 68.868 0.108 0.000 0.917 482 T HN 0.911 nan 8.240 nan 0.000 0.487 483 G N 1.535 110.423 108.800 0.146 0.000 2.588 483 G HA2 0.457 4.418 3.960 0.001 0.000 0.278 483 G HA3 0.457 4.418 3.960 0.001 0.000 0.278 483 G C 1.203 176.141 174.900 0.064 0.000 1.307 483 G CA -0.221 44.961 45.100 0.136 0.000 1.016 483 G HN 0.754 nan 8.290 nan 0.000 0.503 484 A N -0.636 122.203 122.820 0.033 0.000 2.067 484 A HA -0.004 4.316 4.320 0.001 0.000 0.219 484 A C 1.887 179.475 177.584 0.007 0.000 1.158 484 A CA 2.082 54.117 52.037 -0.004 0.000 0.661 484 A CB -0.371 18.616 19.000 -0.021 0.000 0.801 484 A HN 0.667 nan 8.150 nan 0.000 0.452 485 D N -2.284 118.128 120.400 0.020 0.000 2.347 485 D HA 0.234 4.875 4.640 0.001 0.000 0.215 485 D C 1.265 177.577 176.300 0.019 0.000 0.976 485 D CA 1.286 55.296 54.000 0.017 0.000 0.884 485 D CB -0.323 40.488 40.800 0.018 0.000 0.915 485 D HN 0.701 nan 8.370 nan 0.000 0.526 486 G N 0.439 109.254 108.800 0.026 0.000 2.234 486 G HA2 -0.304 3.656 3.960 0.001 0.000 0.235 486 G HA3 -0.304 3.656 3.960 0.001 0.000 0.235 486 G C 0.431 175.350 174.900 0.032 0.000 0.997 486 G CA 0.116 45.232 45.100 0.027 0.000 0.623 486 G HN 0.788 nan 8.290 nan 0.000 0.514 487 R N 0.301 120.820 120.500 0.032 0.000 2.577 487 R HA 0.680 5.021 4.340 0.001 0.000 0.269 487 R C -0.869 175.456 176.300 0.042 0.000 1.084 487 R CA 0.164 56.281 56.100 0.029 0.000 1.163 487 R CB 0.785 31.096 30.300 0.017 0.000 1.100 487 R HN 0.033 nan 8.270 nan 0.000 0.547 488 T N 1.896 116.468 114.554 0.030 0.000 2.779 488 T HA 0.328 4.678 4.350 0.001 0.000 0.280 488 T C -0.713 173.986 174.700 -0.003 0.000 0.987 488 T CA -0.745 61.378 62.100 0.037 0.000 0.966 488 T CB 1.151 70.042 68.868 0.039 0.000 0.933 488 T HN 0.452 nan 8.240 nan 0.000 0.442 489 K N 1.672 122.067 120.400 -0.007 0.000 2.185 489 K HA 0.705 5.026 4.320 0.001 0.000 0.240 489 K C -0.488 175.961 176.600 -0.251 0.000 0.983 489 K CA -0.898 55.284 56.287 -0.176 0.000 0.873 489 K CB 1.550 33.891 32.500 -0.265 0.000 1.118 489 K HN 0.414 nan 8.250 nan 0.000 0.441 490 T N 1.768 116.050 114.554 -0.452 0.000 2.840 490 T HA 0.432 4.783 4.350 0.001 0.000 0.287 490 T C -1.294 173.168 174.700 -0.396 0.000 0.991 490 T CA -0.704 61.233 62.100 -0.272 0.000 0.964 490 T CB 0.207 68.999 68.868 -0.127 0.000 0.954 490 T HN 0.306 nan 8.240 nan 0.000 0.438 491 Y N 0.925 121.252 120.300 0.045 0.000 2.485 491 Y HA 0.682 5.233 4.550 0.001 0.000 0.345 491 Y C 0.382 176.316 175.900 0.056 0.000 0.998 491 Y CA -1.361 56.766 58.100 0.044 0.000 1.059 491 Y CB 1.789 40.276 38.460 0.046 0.000 1.234 491 Y HN 0.401 nan 8.280 nan 0.000 0.461 492 R N 2.097 122.713 120.500 0.193 0.000 2.494 492 R HA 0.427 4.768 4.340 0.001 0.000 0.305 492 R C -0.627 175.714 176.300 0.068 0.000 0.959 492 R CA -0.984 55.176 56.100 0.099 0.000 0.864 492 R CB 1.249 31.577 30.300 0.047 0.000 1.159 492 R HN 0.833 nan 8.270 nan 0.000 0.446 493 R N 2.145 122.640 120.500 -0.009 0.000 2.449 493 R HA 0.015 4.356 4.340 0.001 0.000 0.296 493 R C 0.268 176.487 176.300 -0.134 0.000 1.047 493 R CA 0.716 56.742 56.100 -0.123 0.000 1.018 493 R CB 0.642 30.661 30.300 -0.468 0.000 0.962 493 R HN 0.826 nan 8.270 nan 0.000 0.428 494 T N 0.461 114.962 114.554 -0.088 0.000 3.001 494 T HA 0.379 4.729 4.350 0.001 0.000 0.251 494 T C 0.238 174.874 174.700 -0.107 0.000 1.040 494 T CA 0.176 62.230 62.100 -0.078 0.000 0.985 494 T CB 0.648 69.502 68.868 -0.024 0.000 1.011 494 T HN 0.548 nan 8.240 nan 0.000 0.509 495 A N 1.521 124.263 122.820 -0.130 0.000 2.604 495 A HA 0.751 5.072 4.320 0.001 0.000 0.295 495 A C 0.223 177.727 177.584 -0.134 0.000 1.067 495 A CA -0.975 50.986 52.037 -0.127 0.000 0.683 495 A CB 1.278 20.217 19.000 -0.102 0.000 1.281 495 A HN 0.337 nan 8.150 nan 0.000 0.407 496 R N -0.310 120.134 120.500 -0.093 0.000 2.556 496 R HA 0.407 4.748 4.340 0.001 0.000 0.276 496 R C 0.169 176.562 176.300 0.155 0.000 0.931 496 R CA 0.716 56.828 56.100 0.019 0.000 1.061 496 R CB 0.857 31.070 30.300 -0.145 0.000 1.432 496 R HN 0.673 nan 8.270 nan 0.000 0.547 497 T N -1.167 113.431 114.554 0.074 0.000 2.792 497 T HA 0.224 4.574 4.350 0.001 0.000 0.303 497 T C -0.357 174.396 174.700 0.087 0.000 1.310 497 T CA -0.813 61.348 62.100 0.102 0.000 1.007 497 T CB 1.225 70.154 68.868 0.101 0.000 1.335 497 T HN 0.127 nan 8.240 nan 0.000 0.504 498 F N 2.433 122.367 119.950 -0.026 0.000 2.063 498 F HA -0.111 4.417 4.527 0.001 0.000 0.298 498 F C 1.849 177.641 175.800 -0.014 0.000 1.109 498 F CA 1.858 59.831 58.000 -0.045 0.000 1.212 498 F CB 0.132 39.093 39.000 -0.064 0.000 0.973 498 F HN 0.493 nan 8.300 nan 0.000 0.480 499 N N 0.863 119.442 118.700 -0.202 0.000 2.383 499 N HA -0.028 4.712 4.740 0.001 0.000 0.192 499 N C -0.609 174.793 175.510 -0.180 0.000 1.141 499 N CA 0.279 53.148 53.050 -0.302 0.000 0.851 499 N CB -0.562 37.857 38.487 -0.113 0.000 0.976 499 N HN 0.314 nan 8.380 nan 0.000 0.465 500 D N 0.186 120.505 120.400 -0.135 0.000 2.382 500 D HA 0.087 4.728 4.640 0.001 0.000 0.240 500 D C 1.052 177.277 176.300 -0.126 0.000 1.146 500 D CA 0.194 54.131 54.000 -0.105 0.000 0.897 500 D CB 0.581 41.330 40.800 -0.086 0.000 1.197 500 D HN 0.080 nan 8.370 nan 0.000 0.432 501 G N 0.772 109.515 108.800 -0.094 0.000 2.464 501 G HA2 0.072 4.033 3.960 0.001 0.000 0.231 501 G HA3 0.072 4.033 3.960 0.001 0.000 0.231 501 G C 0.163 175.012 174.900 -0.085 0.000 1.267 501 G CA -0.423 44.628 45.100 -0.082 0.000 0.863 501 G HN 0.453 nan 8.290 nan 0.000 0.559 502 L N 2.645 123.828 121.223 -0.067 0.000 2.615 502 L HA 0.323 4.664 4.340 0.001 0.000 0.284 502 L C 1.386 178.235 176.870 -0.036 0.000 1.237 502 L CA 1.438 56.253 54.840 -0.041 0.000 0.905 502 L CB 0.672 42.729 42.059 -0.003 0.000 1.149 502 L HN 0.509 nan 8.230 nan 0.000 0.499 503 G N 4.446 113.193 108.800 -0.088 0.000 2.662 503 G HA2 0.046 4.006 3.960 0.001 0.000 0.207 503 G HA3 0.046 4.006 3.960 0.001 0.000 0.207 503 G C -0.055 174.941 174.900 0.161 0.000 1.154 503 G CA -0.155 44.896 45.100 -0.082 0.000 0.837 503 G HN 0.439 nan 8.290 nan 0.000 0.580 504 F N 2.097 122.108 119.950 0.101 0.000 2.385 504 F HA 0.585 5.112 4.527 0.001 0.000 0.360 504 F C 0.018 175.905 175.800 0.145 0.000 1.122 504 F CA -1.420 56.621 58.000 0.067 0.000 1.090 504 F CB 1.207 40.215 39.000 0.013 0.000 1.150 504 F HN -0.264 nan 8.300 nan 0.000 0.472 505 T N 5.283 119.997 114.554 0.267 0.000 2.829 505 T HA 0.764 5.115 4.350 0.001 0.000 0.280 505 T C -0.286 174.487 174.700 0.121 0.000 0.999 505 T CA -0.482 61.737 62.100 0.198 0.000 0.983 505 T CB 1.365 70.315 68.868 0.136 0.000 0.968 505 T HN 0.308 nan 8.240 nan 0.000 0.446 506 I N 1.754 122.394 120.570 0.118 0.000 2.571 506 I HA 0.400 4.571 4.170 0.001 0.000 0.289 506 I C 0.708 176.868 176.117 0.072 0.000 1.115 506 I CA -1.129 60.176 61.300 0.010 0.000 1.045 506 I CB 2.021 39.907 38.000 -0.191 0.000 1.238 506 I HN 0.749 nan 8.210 nan 0.000 0.424 507 G N 4.601 113.435 108.800 0.056 0.000 2.334 507 G HA2 0.056 4.017 3.960 0.001 0.000 0.261 507 G HA3 0.056 4.017 3.960 0.001 0.000 0.261 507 G C 0.084 175.061 174.900 0.129 0.000 1.257 507 G CA -0.132 45.029 45.100 0.102 0.000 0.935 507 G HN 0.666 nan 8.290 nan 0.000 0.480 508 E N 1.524 121.846 120.200 0.204 0.000 2.502 508 E HA 0.171 4.522 4.350 0.001 0.000 0.261 508 E C 1.447 178.121 176.600 0.123 0.000 0.974 508 E CA 1.443 57.956 56.400 0.188 0.000 0.936 508 E CB 0.544 30.414 29.700 0.284 0.000 0.926 508 E HN 1.064 nan 8.360 nan 0.000 0.459 509 G N 3.272 112.112 108.800 0.066 0.000 2.217 509 G HA2 -0.302 3.659 3.960 0.001 0.000 0.246 509 G HA3 -0.302 3.659 3.960 0.001 0.000 0.246 509 G C 0.539 175.448 174.900 0.014 0.000 0.990 509 G CA 0.729 45.845 45.100 0.027 0.000 0.627 509 G HN 0.823 nan 8.290 nan 0.000 0.522 510 T N -1.587 112.998 114.554 0.051 0.000 2.816 510 T HA 0.634 4.984 4.350 0.001 0.000 0.282 510 T C 0.041 174.760 174.700 0.031 0.000 0.993 510 T CA 0.001 62.150 62.100 0.083 0.000 0.994 510 T CB 1.664 70.582 68.868 0.083 0.000 1.025 510 T HN 0.383 nan 8.240 nan 0.000 0.529 511 H N -0.474 118.654 119.070 0.097 0.000 2.573 511 H HA 0.672 5.228 4.556 0.001 0.000 0.351 511 H C -0.224 175.194 175.328 0.151 0.000 1.163 511 H CA -0.667 55.445 56.048 0.106 0.000 1.205 511 H CB 1.353 31.136 29.762 0.035 0.000 1.605 511 H HN 0.700 nan 8.280 nan 0.000 0.525 512 E N 1.052 121.446 120.200 0.323 0.000 2.343 512 E HA 0.152 4.502 4.350 0.001 0.000 0.278 512 E C -1.223 175.539 176.600 0.270 0.000 0.910 512 E CA -0.931 55.649 56.400 0.299 0.000 0.757 512 E CB 3.008 32.960 29.700 0.421 0.000 1.218 512 E HN 0.465 nan 8.360 nan 0.000 0.435 513 Q N 2.536 122.439 119.800 0.172 0.000 2.271 513 Q HA 0.285 4.626 4.340 0.001 0.000 0.258 513 Q C -1.511 174.697 176.000 0.347 0.000 0.936 513 Q CA -0.632 55.278 55.803 0.178 0.000 0.909 513 Q CB 0.868 29.656 28.738 0.083 0.000 1.253 513 Q HN 0.399 nan 8.270 nan 0.000 0.440 514 W N 2.015 123.236 121.300 -0.131 0.000 2.573 514 W HA 0.402 5.063 4.660 0.001 0.000 0.326 514 W C -0.606 175.692 176.519 -0.368 0.000 1.049 514 W CA -0.649 56.491 57.345 -0.343 0.000 1.220 514 W CB 2.148 31.280 29.460 -0.548 0.000 1.373 514 W HN 0.421 nan 8.180 nan 0.000 0.507 515 T N 4.137 118.577 114.554 -0.190 0.000 2.770 515 T HA 0.436 4.787 4.350 0.001 0.000 0.283 515 T C -0.830 173.680 174.700 -0.317 0.000 0.988 515 T CA -0.438 61.566 62.100 -0.160 0.000 0.957 515 T CB 0.088 68.913 68.868 -0.072 0.000 0.930 515 T HN -0.044 nan 8.240 nan 0.000 0.443 516 F N 3.338 123.301 119.950 0.021 0.000 2.421 516 F HA 0.429 4.957 4.527 0.001 0.000 0.358 516 F C 0.166 175.953 175.800 -0.023 0.000 1.115 516 F CA -1.042 56.972 58.000 0.023 0.000 1.160 516 F CB 0.709 39.750 39.000 0.068 0.000 1.123 516 F HN 0.256 nan 8.300 nan 0.000 0.508 517 L N 5.546 126.796 121.223 0.045 0.000 2.297 517 L HA 0.401 4.742 4.340 0.001 0.000 0.277 517 L C -0.530 176.285 176.870 -0.092 0.000 1.040 517 L CA -0.435 54.344 54.840 -0.101 0.000 0.867 517 L CB 0.184 42.087 42.059 -0.260 0.000 1.244 517 L HN 0.442 nan 8.230 nan 0.000 0.433 518 N N 4.697 123.381 118.700 -0.026 0.000 2.406 518 N HA 0.185 4.925 4.740 0.001 0.000 0.251 518 N C 0.436 175.898 175.510 -0.080 0.000 1.069 518 N CA -0.071 52.968 53.050 -0.019 0.000 0.947 518 N CB 0.815 39.356 38.487 0.091 0.000 1.111 518 N HN 0.734 nan 8.380 nan 0.000 0.497 519 L N 1.371 122.483 121.223 -0.185 0.000 2.591 519 L HA 0.102 4.443 4.340 0.001 0.000 0.228 519 L C 0.834 177.636 176.870 -0.112 0.000 1.133 519 L CA -0.001 54.711 54.840 -0.215 0.000 0.880 519 L CB -0.381 41.383 42.059 -0.491 0.000 1.033 519 L HN 0.469 nan 8.230 nan 0.000 0.450 520 S N -1.428 114.242 115.700 -0.049 0.000 2.726 520 S HA 0.506 4.976 4.470 0.001 0.000 0.308 520 S C -2.218 172.402 174.600 0.034 0.000 1.115 520 S CA -1.268 56.934 58.200 0.003 0.000 0.965 520 S CB 1.761 64.976 63.200 0.026 0.000 1.145 520 S HN -0.181 nan 8.310 nan 0.000 0.532 521 P HA 0.313 nan 4.420 nan 0.000 0.257 521 P C -0.232 177.078 177.300 0.015 0.000 1.281 521 P CA 0.027 63.143 63.100 0.028 0.000 0.826 521 P CB -0.214 31.498 31.700 0.020 0.000 1.237 522 I N 1.084 121.662 120.570 0.013 0.000 2.371 522 I HA 0.127 4.298 4.170 0.001 0.000 0.290 522 I C 0.859 176.895 176.117 -0.135 0.000 1.028 522 I CA -0.782 60.479 61.300 -0.065 0.000 1.345 522 I CB 1.158 39.107 38.000 -0.085 0.000 1.407 522 I HN -0.125 nan 8.210 nan 0.000 0.501 523 L N 7.391 128.533 121.223 -0.136 0.000 2.281 523 L HA 0.300 4.640 4.340 0.001 0.000 0.285 523 L C -0.573 176.198 176.870 -0.165 0.000 1.074 523 L CA -0.242 54.559 54.840 -0.066 0.000 0.817 523 L CB -0.027 42.033 42.059 0.002 0.000 1.168 523 L HN 0.559 nan 8.230 nan 0.000 0.434 524 H N 5.707 124.841 119.070 0.106 0.000 2.511 524 H HA 0.343 4.900 4.556 0.001 0.000 0.328 524 H C -2.341 173.044 175.328 0.096 0.000 1.044 524 H CA -2.045 54.078 56.048 0.124 0.000 1.212 524 H CB 1.535 31.362 29.762 0.109 0.000 1.428 524 H HN 0.436 nan 8.280 nan 0.000 0.483 525 P HA 0.088 nan 4.420 nan 0.000 0.280 525 P C -0.029 177.358 177.300 0.144 0.000 1.386 525 P CA -0.508 62.684 63.100 0.154 0.000 0.899 525 P CB 0.337 32.119 31.700 0.137 0.000 1.098 526 M N 3.311 122.933 119.600 0.037 0.000 2.217 526 M HA 0.217 4.697 4.480 0.001 0.000 0.354 526 M C 0.278 176.589 176.300 0.017 0.000 1.225 526 M CA 0.041 55.306 55.300 -0.057 0.000 1.137 526 M CB -0.518 31.715 32.600 -0.613 0.000 1.576 526 M HN 0.447 nan 8.290 nan 0.000 0.461 527 H N 2.553 121.595 119.070 -0.047 0.000 2.689 527 H HA 0.659 5.216 4.556 0.001 0.000 0.346 527 H C -1.726 173.673 175.328 0.118 0.000 1.037 527 H CA -0.582 55.435 56.048 -0.053 0.000 1.234 527 H CB 0.964 30.716 29.762 -0.017 0.000 1.572 527 H HN 0.671 nan 8.280 nan 0.000 0.524 528 I N 5.597 125.934 120.570 -0.388 0.000 2.362 528 I HA 0.231 4.402 4.170 0.001 0.000 0.289 528 I C 0.516 176.489 176.117 -0.241 0.000 0.994 528 I CA -0.654 60.547 61.300 -0.165 0.000 1.158 528 I CB 1.114 38.928 38.000 -0.309 0.000 1.315 528 I HN 0.602 nan 8.210 nan 0.000 0.451 529 H N 4.835 123.838 119.070 -0.111 0.000 2.801 529 H HA 0.076 4.633 4.556 0.001 0.000 0.377 529 H C 0.907 176.298 175.328 0.105 0.000 1.304 529 H CA -0.194 55.891 56.048 0.062 0.000 1.451 529 H CB 0.961 30.885 29.762 0.270 0.000 1.474 529 H HN 0.666 nan 8.280 nan 0.000 0.620 530 L N -0.637 120.631 121.223 0.074 0.000 3.246 530 L HA -0.320 4.021 4.340 0.001 0.000 0.368 530 L C 0.075 176.855 176.870 -0.150 0.000 3.893 530 L CA 2.269 56.996 54.840 -0.188 0.000 1.714 530 L CB -1.545 40.135 42.059 -0.632 0.000 3.108 530 L HN 0.742 nan 8.230 nan 0.000 0.819 531 A N 0.187 122.915 122.820 -0.152 0.000 2.256 531 A HA 0.629 4.949 4.320 0.001 0.000 0.318 531 A C -0.424 177.053 177.584 -0.178 0.000 1.103 531 A CA 0.082 51.897 52.037 -0.369 0.000 0.860 531 A CB 0.325 18.702 19.000 -1.040 0.000 1.182 531 A HN 0.433 nan 8.150 nan 0.000 0.501 532 D N -0.387 119.836 120.400 -0.296 0.000 2.181 532 D HA 0.612 5.253 4.640 0.001 0.000 0.248 532 D C -1.450 174.631 176.300 -0.366 0.000 1.020 532 D CA 0.559 54.522 54.000 -0.062 0.000 0.891 532 D CB 1.317 42.147 40.800 0.051 0.000 1.187 532 D HN 0.293 nan 8.370 nan 0.000 0.443 533 F N 0.449 120.480 119.950 0.135 0.000 2.599 533 F HA 0.286 4.814 4.527 0.001 0.000 0.311 533 F C 0.257 176.176 175.800 0.198 0.000 1.076 533 F CA -0.760 57.305 58.000 0.108 0.000 0.937 533 F CB 1.936 41.038 39.000 0.170 0.000 1.282 533 F HN 0.010 nan 8.300 nan 0.000 0.460 534 Q N 0.944 120.914 119.800 0.283 0.000 2.345 534 Q HA 0.592 4.933 4.340 0.001 0.000 0.268 534 Q C -1.282 174.812 176.000 0.157 0.000 1.054 534 Q CA -1.219 54.720 55.803 0.227 0.000 0.835 534 Q CB 3.007 31.841 28.738 0.161 0.000 1.339 534 Q HN 0.367 nan 8.270 nan 0.000 0.447 535 V N 3.976 123.971 119.914 0.136 0.000 2.439 535 V HA -0.003 4.118 4.120 0.001 0.000 0.271 535 V C 1.081 177.213 176.094 0.062 0.000 1.040 535 V CA 0.474 62.812 62.300 0.064 0.000 1.002 535 V CB 0.250 32.130 31.823 0.095 0.000 1.000 535 V HN 0.778 nan 8.190 nan 0.000 0.477 536 L N 4.040 125.289 121.223 0.043 0.000 2.202 536 L HA 0.430 4.771 4.340 0.001 0.000 0.205 536 L C 1.119 178.012 176.870 0.038 0.000 1.083 536 L CA 1.078 55.946 54.840 0.046 0.000 0.790 536 L CB -0.002 42.087 42.059 0.050 0.000 0.942 536 L HN 0.853 nan 8.230 nan 0.000 0.452 537 G N -0.430 108.394 108.800 0.039 0.000 2.313 537 G HA2 0.391 4.351 3.960 0.001 0.000 0.296 537 G HA3 0.391 4.351 3.960 0.001 0.000 0.296 537 G C -1.608 173.325 174.900 0.054 0.000 1.356 537 G CA -0.859 44.266 45.100 0.040 0.000 0.833 537 G HN -0.076 nan 8.290 nan 0.000 0.552 538 R N -0.104 120.427 120.500 0.052 0.000 2.725 538 R HA 0.618 4.958 4.340 0.001 0.000 0.277 538 R C -1.795 174.532 176.300 0.045 0.000 0.987 538 R CA -0.933 55.209 56.100 0.071 0.000 0.901 538 R CB 2.644 32.988 30.300 0.074 0.000 1.207 538 R HN 0.539 nan 8.270 nan 0.000 0.463 539 D N 0.838 121.273 120.400 0.060 0.000 2.857 539 D HA 0.343 4.984 4.640 0.001 0.000 0.227 539 D C -0.980 175.289 176.300 -0.052 0.000 1.192 539 D CA -0.557 53.410 54.000 -0.055 0.000 0.857 539 D CB 2.400 43.098 40.800 -0.170 0.000 1.645 539 D HN 0.560 nan 8.370 nan 0.000 0.482 540 A N 1.746 124.496 122.820 -0.118 0.000 2.316 540 A HA 0.609 4.929 4.320 0.001 0.000 0.284 540 A C -1.267 176.185 177.584 -0.219 0.000 1.115 540 A CA -0.139 51.868 52.037 -0.049 0.000 0.812 540 A CB 0.390 19.382 19.000 -0.013 0.000 1.064 540 A HN 0.516 nan 8.150 nan 0.000 0.489 541 Y N -0.210 120.107 120.300 0.028 0.000 2.499 541 Y HA 0.370 4.921 4.550 0.001 0.000 0.347 541 Y C -0.188 175.730 175.900 0.030 0.000 0.987 541 Y CA -0.789 57.328 58.100 0.029 0.000 1.044 541 Y CB 1.916 40.392 38.460 0.027 0.000 1.245 541 Y HN 0.717 nan 8.280 nan 0.000 0.461 542 D N 1.657 122.170 120.400 0.188 0.000 2.339 542 D HA 0.362 5.002 4.640 0.001 0.000 0.241 542 D C 0.054 176.448 176.300 0.155 0.000 1.183 542 D CA 0.089 54.172 54.000 0.137 0.000 0.859 542 D CB 1.444 42.302 40.800 0.097 0.000 1.067 542 D HN 0.673 nan 8.370 nan 0.000 0.484 543 A N 2.864 125.761 122.820 0.127 0.000 2.387 543 A HA 0.069 4.390 4.320 0.001 0.000 0.234 543 A C 1.851 179.520 177.584 0.142 0.000 1.253 543 A CA 0.385 52.492 52.037 0.117 0.000 0.894 543 A CB -0.262 18.775 19.000 0.062 0.000 0.963 543 A HN 0.543 nan 8.150 nan 0.000 0.508 544 S N -0.491 115.279 115.700 0.116 0.000 2.440 544 S HA -0.082 4.389 4.470 0.001 0.000 0.238 544 S C 1.792 176.457 174.600 0.108 0.000 1.010 544 S CA 1.286 59.548 58.200 0.103 0.000 0.972 544 S CB -0.770 62.475 63.200 0.074 0.000 0.774 544 S HN 0.647 nan 8.310 nan 0.000 0.501 545 G N 0.161 109.033 108.800 0.121 0.000 2.559 545 G HA2 0.044 4.005 3.960 0.001 0.000 0.216 545 G HA3 0.044 4.005 3.960 0.001 0.000 0.216 545 G C 0.158 175.136 174.900 0.130 0.000 1.126 545 G CA -0.311 44.854 45.100 0.108 0.000 0.778 545 G HN 0.563 nan 8.290 nan 0.000 0.543 546 F N 2.016 121.986 119.950 0.033 0.000 2.471 546 F HA 0.305 4.832 4.527 0.001 0.000 0.365 546 F C -0.188 175.628 175.800 0.027 0.000 1.095 546 F CA -1.213 56.804 58.000 0.028 0.000 1.174 546 F CB 0.816 39.816 39.000 -0.001 0.000 1.105 546 F HN -0.098 nan 8.300 nan 0.000 0.535 547 D N 6.301 126.346 120.400 -0.592 0.000 2.329 547 D HA 0.121 4.762 4.640 0.001 0.000 0.232 547 D C 0.705 176.666 176.300 -0.565 0.000 1.088 547 D CA -0.301 53.467 54.000 -0.387 0.000 0.835 547 D CB 1.328 41.992 40.800 -0.226 0.000 1.078 547 D HN 0.552 nan 8.370 nan 0.000 0.495 548 L N 3.901 124.949 121.223 -0.292 0.000 2.131 548 L HA -0.046 4.295 4.340 0.001 0.000 0.210 548 L C 2.369 179.182 176.870 -0.094 0.000 1.092 548 L CA 1.636 56.384 54.840 -0.154 0.000 0.759 548 L CB -0.415 41.648 42.059 0.006 0.000 0.903 548 L HN 0.603 nan 8.230 nan 0.000 0.435 549 A N -1.430 121.338 122.820 -0.087 0.000 2.016 549 A HA -0.069 4.252 4.320 0.001 0.000 0.217 549 A C 2.136 179.694 177.584 -0.044 0.000 1.162 549 A CA 0.983 52.996 52.037 -0.039 0.000 0.662 549 A CB -0.484 18.499 19.000 -0.029 0.000 0.812 549 A HN 0.307 nan 8.150 nan 0.000 0.450 550 L N -0.637 120.526 121.223 -0.099 0.000 2.131 550 L HA 0.243 4.584 4.340 0.001 0.000 0.206 550 L C 1.584 178.430 176.870 -0.040 0.000 1.087 550 L CA 1.824 56.618 54.840 -0.076 0.000 0.767 550 L CB -0.666 41.332 42.059 -0.101 0.000 0.917 550 L HN 0.715 nan 8.230 nan 0.000 0.441 551 G N -0.922 107.809 108.800 -0.115 0.000 2.221 551 G HA2 -0.061 3.899 3.960 0.001 0.000 0.265 551 G HA3 -0.061 3.899 3.960 0.001 0.000 0.265 551 G C 0.448 175.472 174.900 0.205 0.000 1.041 551 G CA 0.408 45.590 45.100 0.136 0.000 0.807 551 G HN 0.969 nan 8.290 nan 0.000 0.502 552 G N -2.324 106.362 108.800 -0.190 0.000 2.645 552 G HA2 0.725 4.685 3.960 0.001 0.000 0.292 552 G HA3 0.725 4.685 3.960 0.001 0.000 0.292 552 G C -0.688 174.116 174.900 -0.160 0.000 1.415 552 G CA 0.438 45.559 45.100 0.034 0.000 0.785 552 G HN 0.821 nan 8.290 nan 0.000 0.483 553 T N -0.663 113.951 114.554 0.100 0.000 2.845 553 T HA 0.414 4.765 4.350 0.001 0.000 0.288 553 T C 1.266 175.994 174.700 0.045 0.000 0.980 553 T CA -0.228 61.942 62.100 0.117 0.000 1.071 553 T CB 1.070 70.076 68.868 0.231 0.000 0.941 553 T HN 0.453 nan 8.240 nan 0.000 0.487 554 R N 1.524 122.038 120.500 0.022 0.000 2.087 554 R HA 0.163 4.503 4.340 0.001 0.000 0.216 554 R C 0.844 177.167 176.300 0.039 0.000 1.114 554 R CA 0.593 56.704 56.100 0.019 0.000 1.002 554 R CB 0.194 30.493 30.300 -0.002 0.000 0.903 554 R HN 0.748 nan 8.270 nan 0.000 0.445 555 T N -0.739 113.847 114.554 0.053 0.000 2.940 555 T HA 0.491 4.842 4.350 0.001 0.000 0.288 555 T C -2.763 171.992 174.700 0.090 0.000 1.033 555 T CA -2.532 59.606 62.100 0.063 0.000 1.033 555 T CB 2.414 71.315 68.868 0.055 0.000 1.079 555 T HN -0.244 nan 8.240 nan 0.000 0.496 556 P HA 0.209 nan 4.420 nan 0.000 0.269 556 P C -0.396 176.985 177.300 0.134 0.000 1.215 556 P CA -0.522 62.648 63.100 0.117 0.000 0.780 556 P CB 0.314 32.077 31.700 0.106 0.000 0.898 557 V N 3.648 123.650 119.914 0.148 0.000 2.585 557 V HA 0.095 4.216 4.120 0.001 0.000 0.296 557 V C 0.931 177.156 176.094 0.218 0.000 1.035 557 V CA 0.462 62.854 62.300 0.154 0.000 1.084 557 V CB -0.264 31.596 31.823 0.061 0.000 0.953 557 V HN 0.447 nan 8.190 nan 0.000 0.483 558 R N 4.080 124.732 120.500 0.253 0.000 2.437 558 R HA 0.476 4.817 4.340 0.001 0.000 0.310 558 R C -0.683 175.753 176.300 0.226 0.000 0.955 558 R CA -0.904 55.325 56.100 0.216 0.000 0.851 558 R CB 1.337 31.709 30.300 0.120 0.000 1.161 558 R HN 0.748 nan 8.270 nan 0.000 0.446 559 L N 3.939 125.220 121.223 0.096 0.000 2.584 559 L HA -0.013 4.328 4.340 0.001 0.000 0.272 559 L C -0.315 176.441 176.870 -0.190 0.000 1.195 559 L CA 0.459 55.073 54.840 -0.376 0.000 0.920 559 L CB 0.340 42.182 42.059 -0.362 0.000 1.173 559 L HN 0.600 nan 8.230 nan 0.000 0.489 560 D N 7.500 127.775 120.400 -0.208 0.000 2.441 560 D HA 0.187 4.828 4.640 0.001 0.000 0.221 560 D C -1.632 174.607 176.300 -0.102 0.000 1.156 560 D CA -2.185 51.758 54.000 -0.096 0.000 0.896 560 D CB 1.108 41.877 40.800 -0.051 0.000 1.028 560 D HN 0.288 nan 8.370 nan 0.000 0.509 561 P HA 0.029 nan 4.420 nan 0.000 0.241 561 P C -0.247 177.025 177.300 -0.048 0.000 1.191 561 P CA 0.465 63.523 63.100 -0.070 0.000 0.771 561 P CB 0.237 31.909 31.700 -0.047 0.000 0.929 562 D N -2.150 118.227 120.400 -0.038 0.000 2.720 562 D HA 0.080 4.721 4.640 0.001 0.000 0.285 562 D C -0.533 175.754 176.300 -0.021 0.000 1.359 562 D CA -0.435 53.550 54.000 -0.025 0.000 0.818 562 D CB -0.833 39.957 40.800 -0.016 0.000 1.108 562 D HN -0.229 nan 8.370 nan 0.000 0.474 563 T N 2.267 116.803 114.554 -0.029 0.000 3.254 563 T HA 0.401 4.752 4.350 0.001 0.000 0.385 563 T C -2.594 172.091 174.700 -0.024 0.000 1.528 563 T CA -1.226 60.862 62.100 -0.020 0.000 1.212 563 T CB 1.102 69.962 68.868 -0.012 0.000 1.145 563 T HN 0.053 nan 8.240 nan 0.000 0.631 564 P HA 0.342 nan 4.420 nan 0.000 0.272 564 P C -0.800 176.497 177.300 -0.005 0.000 1.223 564 P CA -0.506 62.583 63.100 -0.017 0.000 0.784 564 P CB 0.729 32.422 31.700 -0.011 0.000 0.923 565 V N 3.795 123.710 119.914 0.001 0.000 2.325 565 V HA 0.310 4.431 4.120 0.001 0.000 0.280 565 V C -1.974 174.134 176.094 0.023 0.000 1.016 565 V CA -1.610 60.701 62.300 0.018 0.000 0.818 565 V CB 1.026 32.867 31.823 0.030 0.000 1.019 565 V HN 0.606 nan 8.190 nan 0.000 0.434 566 P HA 0.344 nan 4.420 nan 0.000 0.274 566 P C -0.368 176.954 177.300 0.036 0.000 1.231 566 P CA -0.378 62.737 63.100 0.024 0.000 0.790 566 P CB 1.278 32.989 31.700 0.019 0.000 0.951 567 L N 1.197 122.443 121.223 0.038 0.000 2.439 567 L HA 0.283 4.624 4.340 0.001 0.000 0.269 567 L C 1.184 178.083 176.870 0.048 0.000 1.179 567 L CA -0.740 54.130 54.840 0.050 0.000 0.828 567 L CB 0.101 42.191 42.059 0.050 0.000 1.106 567 L HN 0.456 nan 8.230 nan 0.000 0.467 568 A N 4.074 126.931 122.820 0.062 0.000 2.511 568 A HA 0.221 4.542 4.320 0.001 0.000 0.242 568 A C -1.478 176.134 177.584 0.047 0.000 1.069 568 A CA -0.966 51.106 52.037 0.059 0.000 0.763 568 A CB -0.124 18.927 19.000 0.086 0.000 1.001 568 A HN 0.639 nan 8.150 nan 0.000 0.498 569 P HA -0.149 nan 4.420 nan 0.000 0.219 569 P C 0.614 177.925 177.300 0.018 0.000 1.146 569 P CA 1.543 64.653 63.100 0.015 0.000 0.808 569 P CB -0.014 31.686 31.700 -0.000 0.000 0.779 570 N N -0.363 118.364 118.700 0.045 0.000 2.276 570 N HA -0.051 4.690 4.740 0.001 0.000 0.212 570 N C 0.561 176.103 175.510 0.055 0.000 1.127 570 N CA 0.079 53.162 53.050 0.055 0.000 0.834 570 N CB -0.812 37.742 38.487 0.113 0.000 1.014 570 N HN 0.330 nan 8.380 nan 0.000 0.491 571 E N 0.001 120.235 120.200 0.057 0.000 2.651 571 E HA 0.152 4.502 4.350 0.001 0.000 0.208 571 E C 0.188 176.826 176.600 0.063 0.000 0.997 571 E CA -0.295 56.152 56.400 0.078 0.000 1.020 571 E CB -0.266 29.510 29.700 0.126 0.000 1.052 571 E HN 0.213 nan 8.360 nan 0.000 0.465 572 L N 0.506 121.731 121.223 0.004 0.000 2.653 572 L HA 0.386 4.727 4.340 0.001 0.000 0.231 572 L C 1.097 177.903 176.870 -0.106 0.000 1.153 572 L CA -0.095 54.738 54.840 -0.011 0.000 0.933 572 L CB 0.397 42.439 42.059 -0.028 0.000 1.175 572 L HN 0.238 nan 8.230 nan 0.000 0.473 573 G N -1.471 107.240 108.800 -0.148 0.000 2.940 573 G HA2 0.295 4.255 3.960 0.001 0.000 0.164 573 G HA3 0.295 4.255 3.960 0.001 0.000 0.164 573 G C -1.012 173.861 174.900 -0.045 0.000 1.326 573 G CA -0.561 44.354 45.100 -0.308 0.000 1.020 573 G HN 0.202 nan 8.290 nan 0.000 0.586 574 H N 0.459 119.650 119.070 0.202 0.000 2.620 574 H HA 0.507 5.064 4.556 0.001 0.000 0.313 574 H C -0.100 175.350 175.328 0.204 0.000 1.075 574 H CA -0.044 56.151 56.048 0.245 0.000 1.397 574 H CB 1.215 31.123 29.762 0.244 0.000 1.446 574 H HN 0.016 nan 8.280 nan 0.000 0.493 575 K N 2.012 122.642 120.400 0.383 0.000 2.477 575 K HA 0.139 4.460 4.320 0.001 0.000 0.255 575 K C -0.436 176.312 176.600 0.246 0.000 0.952 575 K CA -0.686 55.761 56.287 0.266 0.000 0.826 575 K CB 2.299 34.985 32.500 0.309 0.000 1.331 575 K HN 0.817 nan 8.250 nan 0.000 0.437 576 D N -1.725 118.654 120.400 -0.036 0.000 2.525 576 D HA 0.107 4.748 4.640 0.001 0.000 0.231 576 D C -0.286 175.794 176.300 -0.367 0.000 1.216 576 D CA -0.031 53.936 54.000 -0.055 0.000 0.813 576 D CB 0.585 41.536 40.800 0.251 0.000 1.108 576 D HN 0.061 nan 8.370 nan 0.000 0.524 577 V N 1.015 120.550 119.914 -0.632 0.000 2.531 577 V HA 0.582 4.703 4.120 0.001 0.000 0.301 577 V C -1.431 174.212 176.094 -0.751 0.000 1.034 577 V CA -0.769 61.177 62.300 -0.590 0.000 0.865 577 V CB 1.443 33.162 31.823 -0.173 0.000 0.995 577 V HN 0.028 nan 8.190 nan 0.000 0.424 578 F N 1.686 121.647 119.950 0.018 0.000 2.536 578 F HA 0.511 5.039 4.527 0.001 0.000 0.322 578 F C 0.294 176.093 175.800 -0.001 0.000 1.144 578 F CA -0.842 57.159 58.000 0.002 0.000 0.924 578 F CB 1.559 40.535 39.000 -0.040 0.000 1.181 578 F HN 0.388 nan 8.300 nan 0.000 0.438 579 Q N 2.069 121.987 119.800 0.196 0.000 2.274 579 Q HA 0.333 4.673 4.340 0.001 0.000 0.280 579 Q C -0.647 175.446 176.000 0.155 0.000 1.047 579 Q CA -0.079 55.816 55.803 0.153 0.000 0.907 579 Q CB 1.528 30.349 28.738 0.138 0.000 1.171 579 Q HN 0.503 nan 8.270 nan 0.000 0.381 580 V N 5.995 125.991 119.914 0.136 0.000 2.276 580 V HA 0.231 4.351 4.120 0.001 0.000 0.268 580 V C -2.177 174.002 176.094 0.142 0.000 1.032 580 V CA -1.810 60.571 62.300 0.136 0.000 0.810 580 V CB 0.737 32.627 31.823 0.113 0.000 1.060 580 V HN 0.644 nan 8.190 nan 0.000 0.446 581 P HA 0.176 nan 4.420 nan 0.000 0.271 581 P C 1.054 178.414 177.300 0.100 0.000 1.244 581 P CA 0.363 63.519 63.100 0.093 0.000 0.793 581 P CB 0.558 32.305 31.700 0.079 0.000 0.984 582 G N 1.490 110.336 108.800 0.076 0.000 1.994 582 G HA2 -0.110 3.851 3.960 0.001 0.000 0.975 582 G HA3 -0.110 3.851 3.960 0.001 0.000 0.975 582 G C -1.676 173.272 174.900 0.081 0.000 1.199 582 G CA -0.261 44.881 45.100 0.070 0.000 1.368 582 G HN 0.492 nan 8.290 nan 0.000 0.737 583 P HA -0.012 nan 4.420 nan 0.000 0.237 583 P C -0.346 177.045 177.300 0.152 0.000 1.149 583 P CA 1.165 64.318 63.100 0.087 0.000 1.254 583 P CB -0.080 31.672 31.700 0.086 0.000 1.382 584 Q N 1.558 121.460 119.800 0.170 0.000 2.594 584 Q HA 0.563 4.903 4.340 0.001 0.000 0.278 584 Q C -1.326 174.818 176.000 0.240 0.000 0.961 584 Q CA -0.834 55.122 55.803 0.255 0.000 0.844 584 Q CB 2.094 30.932 28.738 0.166 0.000 1.475 584 Q HN 0.388 nan 8.270 nan 0.000 0.389 585 G N 1.308 110.329 108.800 0.369 0.000 2.416 585 G HA2 0.625 4.586 3.960 0.001 0.000 0.329 585 G HA3 0.625 4.586 3.960 0.001 0.000 0.329 585 G C -1.818 173.212 174.900 0.217 0.000 1.173 585 G CA -0.393 44.868 45.100 0.270 0.000 0.929 585 G HN 0.392 nan 8.290 nan 0.000 0.475 586 L N 1.206 122.541 121.223 0.187 0.000 2.381 586 L HA 0.699 5.040 4.340 0.001 0.000 0.274 586 L C -0.219 176.725 176.870 0.124 0.000 0.988 586 L CA -0.814 54.117 54.840 0.153 0.000 0.824 586 L CB 1.739 43.894 42.059 0.160 0.000 1.263 586 L HN 0.511 nan 8.230 nan 0.000 0.410 587 R N 4.326 124.871 120.500 0.075 0.000 2.295 587 R HA 0.729 5.069 4.340 0.001 0.000 0.324 587 R C -1.029 175.275 176.300 0.005 0.000 0.968 587 R CA -0.632 55.501 56.100 0.055 0.000 0.837 587 R CB 1.672 32.016 30.300 0.073 0.000 1.133 587 R HN 0.611 nan 8.270 nan 0.000 0.450 588 V N 0.366 120.262 119.914 -0.030 0.000 2.864 588 V HA 0.691 4.812 4.120 0.001 0.000 0.314 588 V C -0.433 175.709 176.094 0.079 0.000 1.073 588 V CA -1.032 61.224 62.300 -0.072 0.000 0.956 588 V CB 2.242 33.805 31.823 -0.433 0.000 1.023 588 V HN 0.731 nan 8.190 nan 0.000 0.435 589 M N 2.267 121.968 119.600 0.168 0.000 2.457 589 M HA 0.860 5.341 4.480 0.001 0.000 0.300 589 M C -0.352 175.990 176.300 0.070 0.000 1.141 589 M CA -0.169 55.215 55.300 0.140 0.000 0.901 589 M CB 2.293 34.889 32.600 -0.008 0.000 1.687 589 M HN 1.251 nan 8.290 nan 0.000 0.449 590 G N 2.565 111.263 108.800 -0.169 0.000 2.698 590 G HA2 0.385 4.346 3.960 0.001 0.000 0.293 590 G HA3 0.385 4.346 3.960 0.001 0.000 0.293 590 G C -2.330 172.192 174.900 -0.630 0.000 1.437 590 G CA -0.675 43.928 45.100 -0.827 0.000 0.852 590 G HN 0.660 nan 8.290 nan 0.000 0.499 591 K N 0.478 120.422 120.400 -0.760 0.000 2.185 591 K HA 0.559 4.879 4.320 0.001 0.000 0.269 591 K C -1.177 175.053 176.600 -0.618 0.000 0.987 591 K CA -0.662 55.190 56.287 -0.726 0.000 0.865 591 K CB 0.856 32.907 32.500 -0.748 0.000 1.090 591 K HN 0.283 nan 8.250 nan 0.000 0.450 592 F N 3.114 122.853 119.950 -0.352 0.000 2.308 592 F HA 0.203 4.730 4.527 0.001 0.000 0.370 592 F C -0.141 175.561 175.800 -0.163 0.000 1.100 592 F CA -0.653 57.219 58.000 -0.214 0.000 1.108 592 F CB 1.048 39.996 39.000 -0.087 0.000 1.293 592 F HN 0.509 nan 8.300 nan 0.000 0.478 593 D N 1.480 121.840 120.400 -0.066 0.000 2.855 593 D HA 0.503 5.144 4.640 0.001 0.000 0.241 593 D C 0.379 176.615 176.300 -0.108 0.000 1.277 593 D CA 0.110 54.050 54.000 -0.101 0.000 0.918 593 D CB 1.546 42.251 40.800 -0.158 0.000 1.462 593 D HN 0.626 nan 8.370 nan 0.000 0.559 594 G N 1.783 110.500 108.800 -0.138 0.000 2.159 594 G HA2 0.275 4.236 3.960 0.001 0.000 0.227 594 G HA3 0.275 4.236 3.960 0.001 0.000 0.227 594 G C 0.300 175.098 174.900 -0.169 0.000 0.986 594 G CA 0.104 45.130 45.100 -0.123 0.000 0.651 594 G HN 1.229 nan 8.290 nan 0.000 0.523 595 A N -1.503 121.141 122.820 -0.294 0.000 2.564 595 A HA 0.888 5.209 4.320 0.001 0.000 0.291 595 A C -1.286 176.071 177.584 -0.378 0.000 1.102 595 A CA -0.665 51.220 52.037 -0.253 0.000 0.660 595 A CB 0.927 19.983 19.000 0.093 0.000 1.283 595 A HN 1.104 nan 8.150 nan 0.000 0.430 596 Y N -0.892 119.595 120.300 0.310 0.000 2.609 596 Y HA 0.812 5.363 4.550 0.001 0.000 0.342 596 Y C 0.794 176.881 175.900 0.311 0.000 1.058 596 Y CA 0.026 58.316 58.100 0.318 0.000 1.055 596 Y CB 2.171 40.729 38.460 0.162 0.000 1.292 596 Y HN 1.999 nan 8.280 nan 0.000 0.476 597 G N 0.571 109.607 108.800 0.393 0.000 2.334 597 G HA2 0.057 4.018 3.960 0.001 0.000 0.315 597 G HA3 0.057 4.018 3.960 0.001 0.000 0.315 597 G C -1.818 172.964 174.900 -0.196 0.000 1.284 597 G CA -1.354 43.711 45.100 -0.058 0.000 0.985 597 G HN 0.655 nan 8.290 nan 0.000 0.504 598 R N -0.317 119.911 120.500 -0.453 0.000 2.265 598 R HA 0.686 5.027 4.340 0.001 0.000 0.314 598 R C -0.688 175.251 176.300 -0.602 0.000 1.053 598 R CA -0.198 55.648 56.100 -0.424 0.000 0.931 598 R CB 0.186 30.156 30.300 -0.551 0.000 1.024 598 R HN 0.327 nan 8.270 nan 0.000 0.457 599 F N 2.242 121.979 119.950 -0.354 0.000 2.740 599 F HA 0.521 5.049 4.527 0.001 0.000 0.357 599 F C -0.114 175.466 175.800 -0.367 0.000 1.141 599 F CA -1.116 56.602 58.000 -0.470 0.000 1.044 599 F CB 1.332 39.754 39.000 -0.964 0.000 1.430 599 F HN 0.276 nan 8.300 nan 0.000 0.518 600 M N 0.989 120.393 119.600 -0.327 0.000 2.528 600 M HA 0.429 4.910 4.480 0.001 0.000 0.321 600 M C -1.612 174.857 176.300 0.280 0.000 1.153 600 M CA -0.688 54.473 55.300 -0.231 0.000 0.951 600 M CB 1.820 33.991 32.600 -0.715 0.000 1.705 600 M HN 0.442 nan 8.290 nan 0.000 0.451 601 Y N 0.870 121.454 120.300 0.472 0.000 2.524 601 Y HA 0.885 5.436 4.550 0.001 0.000 0.347 601 Y C -1.315 174.855 175.900 0.449 0.000 1.005 601 Y CA -0.951 57.432 58.100 0.472 0.000 1.025 601 Y CB 1.088 39.931 38.460 0.638 0.000 1.275 601 Y HN 0.903 nan 8.280 nan 0.000 0.460 602 H N 0.328 119.619 119.070 0.369 0.000 2.950 602 H HA 0.434 4.991 4.556 0.001 0.000 0.307 602 H C -1.525 173.967 175.328 0.274 0.000 1.403 602 H CA -1.495 54.670 56.048 0.195 0.000 1.145 602 H CB 0.555 30.367 29.762 0.084 0.000 1.844 602 H HN 1.106 nan 8.280 nan 0.000 0.515 603 C N 1.683 121.163 119.300 0.301 0.000 2.662 603 C HA 0.104 4.565 4.460 0.001 0.000 0.420 603 C C 1.125 176.363 174.990 0.413 0.000 1.314 603 C CA 0.045 59.247 59.018 0.306 0.000 1.963 603 C CB -0.721 27.219 27.740 0.333 0.000 2.686 603 C HN 0.994 nan 8.230 nan 0.000 0.609 604 H N 4.401 123.633 119.070 0.270 0.000 2.505 604 H HA 0.274 4.830 4.556 0.001 0.000 0.289 604 H C 0.067 175.486 175.328 0.151 0.000 1.052 604 H CA 0.145 56.353 56.048 0.267 0.000 1.156 604 H CB 0.036 29.932 29.762 0.224 0.000 1.507 604 H HN 0.596 nan 8.280 nan 0.000 0.548 605 L N 2.317 123.667 121.223 0.212 0.000 2.407 605 L HA 0.032 4.372 4.340 0.001 0.000 0.282 605 L C 1.580 178.408 176.870 -0.070 0.000 1.110 605 L CA -0.172 54.686 54.840 0.030 0.000 0.863 605 L CB 0.951 42.968 42.059 -0.071 0.000 1.207 605 L HN 0.193 nan 8.230 nan 0.000 0.454 606 L N 1.969 123.116 121.223 -0.127 0.000 2.081 606 L HA -0.248 4.093 4.340 0.001 0.000 0.212 606 L C 2.094 178.824 176.870 -0.235 0.000 1.080 606 L CA 1.334 56.043 54.840 -0.218 0.000 0.754 606 L CB -0.209 41.703 42.059 -0.244 0.000 0.893 606 L HN 0.654 nan 8.230 nan 0.000 0.433 607 E N -0.640 119.417 120.200 -0.238 0.000 2.118 607 E HA -0.205 4.146 4.350 0.001 0.000 0.195 607 E C 2.013 178.560 176.600 -0.087 0.000 0.992 607 E CA 1.340 57.613 56.400 -0.212 0.000 0.804 607 E CB -0.277 29.307 29.700 -0.193 0.000 0.741 607 E HN 0.589 nan 8.360 nan 0.000 0.458 608 H N -0.602 118.448 119.070 -0.033 0.000 2.395 608 H HA -0.003 4.553 4.556 0.001 0.000 0.299 608 H C 2.066 177.368 175.328 -0.043 0.000 1.070 608 H CA 0.874 56.930 56.048 0.013 0.000 1.356 608 H CB 0.193 30.029 29.762 0.123 0.000 1.401 608 H HN 0.178 nan 8.280 nan 0.000 0.524 609 E N 0.926 121.148 120.200 0.036 0.000 2.049 609 E HA -0.218 4.132 4.350 0.001 0.000 0.198 609 E C 1.239 177.717 176.600 -0.202 0.000 1.007 609 E CA 1.525 57.858 56.400 -0.112 0.000 0.809 609 E CB 0.084 29.632 29.700 -0.254 0.000 0.749 609 E HN 0.386 nan 8.360 nan 0.000 0.450 610 D N -0.539 119.727 120.400 -0.223 0.000 2.350 610 D HA -0.083 4.558 4.640 0.001 0.000 0.216 610 D C 0.676 176.867 176.300 -0.181 0.000 0.968 610 D CA 0.848 54.702 54.000 -0.243 0.000 0.894 610 D CB 0.120 40.727 40.800 -0.322 0.000 0.909 610 D HN 0.306 nan 8.370 nan 0.000 0.520 611 M N -1.139 118.372 119.600 -0.147 0.000 2.959 611 M HA 0.297 4.778 4.480 0.001 0.000 0.337 611 M C 0.879 177.110 176.300 -0.115 0.000 1.220 611 M CA -0.209 54.985 55.300 -0.177 0.000 0.893 611 M CB 1.186 33.614 32.600 -0.286 0.000 1.322 611 M HN -0.012 nan 8.290 nan 0.000 0.519 612 G N 1.329 110.084 108.800 -0.075 0.000 2.205 612 G HA2 -0.285 3.676 3.960 0.001 0.000 0.261 612 G HA3 -0.285 3.676 3.960 0.001 0.000 0.261 612 G C 0.346 175.267 174.900 0.036 0.000 0.980 612 G CA -0.109 44.996 45.100 0.009 0.000 0.632 612 G HN 0.541 nan 8.290 nan 0.000 0.533 613 M N 0.804 120.413 119.600 0.015 0.000 3.445 613 M HA 0.615 5.096 4.480 0.001 0.000 0.224 613 M C 0.175 176.503 176.300 0.048 0.000 1.551 613 M CA 0.634 55.962 55.300 0.047 0.000 1.671 613 M CB -0.331 32.310 32.600 0.069 0.000 1.159 613 M HN 0.464 nan 8.290 nan 0.000 0.547 614 M N 1.485 121.098 119.600 0.021 0.000 2.523 614 M HA 0.468 4.948 4.480 0.001 0.000 0.287 614 M C -1.918 174.420 176.300 0.063 0.000 1.160 614 M CA -0.677 54.612 55.300 -0.018 0.000 0.902 614 M CB 1.685 34.136 32.600 -0.249 0.000 1.752 614 M HN 0.219 nan 8.290 nan 0.000 0.504 615 R N 3.126 123.549 120.500 -0.128 0.000 2.698 615 R HA 0.677 5.018 4.340 0.001 0.000 0.275 615 R C -2.964 173.429 176.300 0.155 0.000 1.001 615 R CA -1.612 54.436 56.100 -0.087 0.000 0.896 615 R CB 2.262 32.242 30.300 -0.534 0.000 1.218 615 R HN 0.424 nan 8.270 nan 0.000 0.462 616 P HA 0.331 nan 4.420 nan 0.000 0.277 616 P C -0.945 176.640 177.300 0.476 0.000 1.240 616 P CA -0.207 63.115 63.100 0.369 0.000 0.798 616 P CB 0.520 32.372 31.700 0.254 0.000 0.979 617 F N -0.137 120.076 119.950 0.439 0.000 2.599 617 F HA 0.713 5.240 4.527 0.001 0.000 0.311 617 F C -1.602 174.434 175.800 0.393 0.000 1.076 617 F CA -1.491 56.771 58.000 0.438 0.000 0.937 617 F CB 1.084 40.464 39.000 0.634 0.000 1.282 617 F HN -0.006 nan 8.300 nan 0.000 0.460 618 V N 2.909 123.094 119.914 0.453 0.000 2.495 618 V HA 0.626 4.746 4.120 0.001 0.000 0.298 618 V C -0.714 175.627 176.094 0.411 0.000 1.031 618 V CA -0.829 61.657 62.300 0.309 0.000 0.871 618 V CB 1.567 33.494 31.823 0.173 0.000 0.988 618 V HN 0.775 nan 8.190 nan 0.000 0.432 619 V N 6.577 126.761 119.914 0.450 0.000 2.448 619 V HA 0.660 4.780 4.120 0.001 0.000 0.295 619 V C -0.073 176.272 176.094 0.418 0.000 1.025 619 V CA -0.383 62.170 62.300 0.421 0.000 0.859 619 V CB 1.476 33.583 31.823 0.472 0.000 0.988 619 V HN 0.972 nan 8.190 nan 0.000 0.431 620 M N 4.622 124.431 119.600 0.349 0.000 2.631 620 M HA 0.782 5.263 4.480 0.001 0.000 0.288 620 M C -3.115 173.354 176.300 0.283 0.000 1.260 620 M CA -2.228 53.248 55.300 0.293 0.000 0.842 620 M CB 2.568 35.245 32.600 0.128 0.000 1.743 620 M HN 0.225 nan 8.290 nan 0.000 0.461 621 P HA 0.191 nan 4.420 nan 0.000 0.266 621 P C -2.257 175.109 177.300 0.110 0.000 1.195 621 P CA -0.653 62.519 63.100 0.121 0.000 0.768 621 P CB -0.177 31.470 31.700 -0.088 0.000 0.838 622 P HA -0.216 nan 4.420 nan 0.000 0.216 622 P C 1.042 178.376 177.300 0.057 0.000 1.150 622 P CA 1.598 64.746 63.100 0.080 0.000 0.843 622 P CB -0.069 31.675 31.700 0.074 0.000 0.787 623 E N -0.496 119.744 120.200 0.066 0.000 2.153 623 E HA -0.120 4.230 4.350 0.001 0.000 0.194 623 E C 2.058 178.748 176.600 0.151 0.000 0.988 623 E CA 1.470 57.918 56.400 0.081 0.000 0.811 623 E CB -0.914 28.839 29.700 0.090 0.000 0.746 623 E HN 0.227 nan 8.360 nan 0.000 0.466 624 A N 0.088 122.990 122.820 0.137 0.000 2.021 624 A HA 0.011 4.331 4.320 0.001 0.000 0.216 624 A C 1.958 179.654 177.584 0.186 0.000 1.163 624 A CA 0.286 52.448 52.037 0.209 0.000 0.676 624 A CB -0.273 18.772 19.000 0.075 0.000 0.818 624 A HN 0.194 nan 8.150 nan 0.000 0.453 625 L N 0.240 121.517 121.223 0.091 0.000 2.127 625 L HA -0.161 4.180 4.340 0.001 0.000 0.211 625 L C 2.149 179.004 176.870 -0.025 0.000 1.089 625 L CA 1.685 56.553 54.840 0.047 0.000 0.757 625 L CB -0.302 41.778 42.059 0.034 0.000 0.899 625 L HN 0.265 nan 8.230 nan 0.000 0.434 626 K N -1.192 119.128 120.400 -0.134 0.000 2.360 626 K HA -0.138 4.182 4.320 0.001 0.000 0.201 626 K C 1.210 177.476 176.600 -0.557 0.000 1.046 626 K CA 1.163 57.216 56.287 -0.390 0.000 0.940 626 K CB -0.228 31.920 32.500 -0.587 0.000 0.748 626 K HN 0.324 nan 8.250 nan 0.000 0.465 627 F N 0.636 120.586 119.950 -0.001 0.000 2.641 627 F HA 0.120 4.647 4.527 0.001 0.000 0.302 627 F C 0.178 175.976 175.800 -0.004 0.000 1.098 627 F CA -0.627 57.370 58.000 -0.005 0.000 1.318 627 F CB -0.021 38.972 39.000 -0.011 0.000 1.035 627 F HN 0.011 nan 8.300 nan 0.000 0.551 628 D N 0.000 120.455 120.400 0.092 0.000 6.856 628 D HA 0.000 4.641 4.640 0.001 0.000 0.175 628 D CA 0.000 54.035 54.000 0.059 0.000 0.868 628 D CB 0.000 40.829 40.800 0.048 0.000 0.688 628 D HN 0.000 nan 8.370 nan 0.000 0.683