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 2pnc_1_A DATA FIRST_RESID 57 DATA SEQUENCE QLFADLSREE LTTVMSFLTQ QLGPDLVDAA QARPSDNCVF SVELQLPPKA DATA SEQUENCE AALAHLDRGS PPPAREALAI VFFGGQPQPN VTELVVGPLP QPSYMRDVTV DATA SEQUENCE ERHGGPLPYY RRPVLLREYL DIDQMIFNRE LPQAAGVLHH CCSYKQGGQK DATA SEQUENCE LLTMNSAPRG VQSGDRSTWF GIYYNITKGG PYLHPVGLEL LVDHKALDPA DATA SEQUENCE DWTVQKVFFQ GRYYENLAQL EEQFEAGQVN VVVIPDXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXRFSVQG NRVASSLWTF SFGLGAFSGP RVFDVRFQGE DATA SEQUENCE RLAYEISLQE AGAVYGGNTP AAMLTRYMDS GFGMGYFATP LIRGVDcPYL DATA SEQUENCE ATYMDWHFVV ESQTPKTLHD AFcVFEQNKG LPLRRXXXXX XXXXXGGVAQ DATA SEQUENCE TVLVFRSVST MLNXDYVWDM VFYPNGAIEV KLHATGYISS AFLFGAARRY DATA SEQUENCE GNQVGEHTLG PVHTHSAHYK VDLDVGGLEN WVWAEDMAFV PTAIPWSPEH DATA SEQUENCE QIQRLQVTRK QLETEEQAAF PLGGASPRYL YLASKQSNKW GHPRGYRIQT DATA SEQUENCE VSFAGGPMPQ NSPMERAFSW GRYQLAITQR KETEPSSSSV FNQNDPWTPT DATA SEQUENCE VDFSDFINNE TIAGKDLVAW VTAGFLHIPH AEDIPNTVTV GNGVGFFLRP DATA SEQUENCE YNFFDQEPSM D 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 57 Q HA 0.000 nan 4.340 nan 0.000 0.214 57 Q C 0.000 175.904 176.000 -0.159 0.000 1.003 57 Q CA 0.000 55.767 55.803 -0.060 0.000 1.022 57 Q CB 0.000 28.706 28.738 -0.053 0.000 1.108 58 L N -3.218 117.811 121.223 -0.323 0.000 2.592 58 L HA 0.374 4.714 4.340 -0.000 0.000 0.227 58 L C 0.454 176.970 176.870 -0.590 0.000 1.127 58 L CA 0.408 54.964 54.840 -0.474 0.000 0.884 58 L CB -0.097 41.612 42.059 -0.582 0.000 1.065 58 L HN 0.160 nan 8.230 nan 0.000 0.457 59 F N 1.579 121.397 119.950 -0.219 0.000 2.695 59 F HA 0.482 5.009 4.527 0.000 0.000 0.303 59 F C 1.637 177.300 175.800 -0.228 0.000 1.091 59 F CA -0.661 57.117 58.000 -0.369 0.000 1.300 59 F CB -0.256 38.434 39.000 -0.516 0.000 1.071 59 F HN 0.062 nan 8.300 nan 0.000 0.578 60 A N 0.390 123.186 122.820 -0.041 0.000 2.477 60 A HA 0.159 4.479 4.320 -0.000 0.000 0.246 60 A C 0.161 177.763 177.584 0.031 0.000 1.078 60 A CA -0.465 51.554 52.037 -0.030 0.000 0.770 60 A CB -0.090 18.876 19.000 -0.056 0.000 1.011 60 A HN 0.078 nan 8.150 nan 0.000 0.494 61 D N 1.404 121.875 120.400 0.118 0.000 2.423 61 D HA 0.159 4.799 4.640 -0.000 0.000 0.238 61 D C 0.518 176.882 176.300 0.107 0.000 1.142 61 D CA 0.322 54.438 54.000 0.193 0.000 0.884 61 D CB 0.433 41.478 40.800 0.408 0.000 1.199 61 D HN 0.453 nan 8.370 nan 0.000 0.438 62 L N 1.718 122.981 121.223 0.067 0.000 2.578 62 L HA -0.072 4.267 4.340 -0.000 0.000 0.279 62 L C 1.407 178.262 176.870 -0.024 0.000 1.227 62 L CA 0.144 54.984 54.840 0.000 0.000 0.900 62 L CB -0.150 41.897 42.059 -0.019 0.000 1.144 62 L HN 0.417 nan 8.230 nan 0.000 0.496 63 S N 3.373 119.036 115.700 -0.061 0.000 2.634 63 S HA 0.143 4.613 4.470 -0.000 0.000 0.261 63 S C 1.031 175.486 174.600 -0.242 0.000 1.271 63 S CA -0.486 57.633 58.200 -0.135 0.000 0.985 63 S CB 1.210 64.338 63.200 -0.120 0.000 0.968 63 S HN 0.723 nan 8.310 nan 0.000 0.568 64 R N 0.537 120.768 120.500 -0.448 0.000 2.081 64 R HA -0.143 4.197 4.340 -0.000 0.000 0.235 64 R C 2.300 178.465 176.300 -0.225 0.000 1.131 64 R CA 1.909 57.772 56.100 -0.395 0.000 0.960 64 R CB -0.587 29.409 30.300 -0.507 0.000 0.856 64 R HN 0.926 nan 8.270 nan 0.000 0.436 65 E N 0.357 120.445 120.200 -0.187 0.000 2.051 65 E HA -0.244 4.106 4.350 -0.000 0.000 0.192 65 E C 1.608 178.144 176.600 -0.108 0.000 0.991 65 E CA 1.720 58.045 56.400 -0.124 0.000 0.799 65 E CB 0.012 29.651 29.700 -0.101 0.000 0.748 65 E HN 0.523 nan 8.360 nan 0.000 0.449 66 E N -0.021 120.113 120.200 -0.111 0.000 2.072 66 E HA -0.175 4.175 4.350 -0.000 0.000 0.191 66 E C 2.085 178.630 176.600 -0.091 0.000 0.985 66 E CA 0.714 57.057 56.400 -0.095 0.000 0.801 66 E CB 0.009 29.657 29.700 -0.087 0.000 0.750 66 E HN 0.232 nan 8.360 nan 0.000 0.452 67 L N 0.855 122.011 121.223 -0.111 0.000 2.079 67 L HA -0.157 4.183 4.340 -0.000 0.000 0.210 67 L C 2.284 179.097 176.870 -0.094 0.000 1.081 67 L CA 1.768 56.543 54.840 -0.109 0.000 0.752 67 L CB -1.314 40.653 42.059 -0.153 0.000 0.896 67 L HN 0.179 nan 8.230 nan 0.000 0.433 68 T N -1.215 113.280 114.554 -0.097 0.000 2.737 68 T HA -0.132 4.218 4.350 -0.000 0.000 0.265 68 T C 1.812 176.487 174.700 -0.043 0.000 1.038 68 T CA 1.770 63.826 62.100 -0.075 0.000 1.144 68 T CB -0.178 68.643 68.868 -0.078 0.000 0.866 68 T HN 0.331 nan 8.240 nan 0.000 0.434 69 T N 2.000 116.528 114.554 -0.044 0.000 2.788 69 T HA -0.064 4.286 4.350 -0.000 0.000 0.268 69 T C 2.187 176.897 174.700 0.017 0.000 1.044 69 T CA 0.855 62.943 62.100 -0.020 0.000 1.139 69 T CB -0.506 68.334 68.868 -0.046 0.000 0.867 69 T HN 0.156 nan 8.240 nan 0.000 0.454 70 V N 1.613 121.525 119.914 -0.004 0.000 2.343 70 V HA -0.153 3.967 4.120 -0.000 0.000 0.247 70 V C 2.598 178.745 176.094 0.089 0.000 1.051 70 V CA 1.277 63.600 62.300 0.039 0.000 1.036 70 V CB -0.576 31.247 31.823 0.001 0.000 0.654 70 V HN 0.412 nan 8.190 nan 0.000 0.451 71 M N -0.095 119.523 119.600 0.030 0.000 2.159 71 M HA -0.125 4.355 4.480 -0.000 0.000 0.263 71 M C 2.406 178.726 176.300 0.033 0.000 1.063 71 M CA 1.688 56.999 55.300 0.018 0.000 1.110 71 M CB -1.382 31.204 32.600 -0.024 0.000 1.374 71 M HN 0.395 nan 8.290 nan 0.000 0.411 72 S N 0.383 116.107 115.700 0.041 0.000 2.356 72 S HA -0.134 4.336 4.470 -0.000 0.000 0.223 72 S C 1.763 176.406 174.600 0.071 0.000 1.032 72 S CA 1.144 59.369 58.200 0.042 0.000 1.005 72 S CB -0.590 62.632 63.200 0.038 0.000 0.867 72 S HN 0.465 nan 8.310 nan 0.000 0.449 73 F N 2.191 122.126 119.950 -0.025 0.000 2.134 73 F HA -0.063 4.464 4.527 -0.000 0.000 0.299 73 F C 1.821 177.621 175.800 0.000 0.000 1.097 73 F CA 1.210 59.199 58.000 -0.019 0.000 1.264 73 F CB -0.256 38.722 39.000 -0.037 0.000 1.001 73 F HN 0.083 nan 8.300 nan 0.000 0.479 74 L N -0.476 120.794 121.223 0.078 0.000 2.141 74 L HA -0.204 4.136 4.340 -0.000 0.000 0.209 74 L C 2.251 179.086 176.870 -0.057 0.000 1.094 74 L CA 1.676 56.520 54.840 0.005 0.000 0.763 74 L CB -0.943 41.167 42.059 0.084 0.000 0.908 74 L HN 0.168 nan 8.230 nan 0.000 0.437 75 T N -1.414 113.115 114.554 -0.043 0.000 2.857 75 T HA -0.218 4.132 4.350 -0.000 0.000 0.266 75 T C 1.789 176.447 174.700 -0.070 0.000 1.048 75 T CA 1.150 63.228 62.100 -0.037 0.000 1.139 75 T CB -0.106 68.751 68.868 -0.019 0.000 0.874 75 T HN 0.393 nan 8.240 nan 0.000 0.455 76 Q N 0.502 120.230 119.800 -0.120 0.000 2.079 76 Q HA -0.153 4.187 4.340 -0.000 0.000 0.200 76 Q C 2.162 178.052 176.000 -0.183 0.000 0.974 76 Q CA 1.096 56.815 55.803 -0.140 0.000 0.840 76 Q CB -0.022 28.623 28.738 -0.156 0.000 0.898 76 Q HN 0.400 nan 8.270 nan 0.000 0.430 77 Q N 0.209 119.830 119.800 -0.299 0.000 2.163 77 Q HA 0.065 4.405 4.340 -0.000 0.000 0.198 77 Q C 1.304 177.241 176.000 -0.106 0.000 0.954 77 Q CA 0.597 56.239 55.803 -0.268 0.000 0.851 77 Q CB 0.224 28.686 28.738 -0.460 0.000 0.928 77 Q HN 0.404 nan 8.270 nan 0.000 0.459 78 L N 1.417 122.606 121.223 -0.056 0.000 2.955 78 L HA 0.221 4.561 4.340 -0.000 0.000 0.238 78 L C 0.740 177.635 176.870 0.040 0.000 1.359 78 L CA -0.235 54.630 54.840 0.043 0.000 1.214 78 L CB -0.960 41.165 42.059 0.109 0.000 1.600 78 L HN 0.181 nan 8.230 nan 0.000 0.442 79 G N 1.995 110.798 108.800 0.005 0.000 2.740 79 G HA2 -0.253 3.706 3.960 -0.000 0.000 0.250 79 G HA3 -0.253 3.706 3.960 -0.000 0.000 0.250 79 G C -2.074 172.832 174.900 0.010 0.000 1.358 79 G CA -0.290 44.815 45.100 0.008 0.000 0.897 79 G HN 0.367 nan 8.290 nan 0.000 0.567 80 P HA 0.210 nan 4.420 nan 0.000 0.266 80 P C 0.302 177.616 177.300 0.025 0.000 1.381 80 P CA 1.027 64.135 63.100 0.013 0.000 0.940 80 P CB 0.303 32.008 31.700 0.008 0.000 1.435 81 D N -1.204 119.219 120.400 0.038 0.000 2.402 81 D HA 0.043 4.683 4.640 -0.000 0.000 0.216 81 D C 0.491 176.831 176.300 0.066 0.000 1.128 81 D CA -0.350 53.680 54.000 0.050 0.000 0.833 81 D CB -0.351 40.482 40.800 0.055 0.000 0.971 81 D HN 0.140 nan 8.370 nan 0.000 0.503 82 L N 0.637 121.896 121.223 0.060 0.000 2.467 82 L HA 0.245 4.585 4.340 -0.000 0.000 0.270 82 L C -0.039 176.860 176.870 0.048 0.000 1.205 82 L CA -0.150 54.725 54.840 0.059 0.000 0.828 82 L CB 1.379 43.463 42.059 0.042 0.000 1.101 82 L HN -0.143 nan 8.230 nan 0.000 0.479 83 V N 1.068 121.012 119.914 0.051 0.000 2.876 83 V HA 0.180 4.300 4.120 -0.000 0.000 0.312 83 V C -0.425 175.691 176.094 0.036 0.000 1.085 83 V CA -0.907 61.422 62.300 0.048 0.000 0.945 83 V CB 2.118 33.982 31.823 0.068 0.000 1.017 83 V HN 0.652 nan 8.190 nan 0.000 0.428 84 D N 2.515 122.933 120.400 0.030 0.000 2.434 84 D HA 0.156 4.796 4.640 -0.000 0.000 0.252 84 D C 1.101 177.422 176.300 0.034 0.000 1.185 84 D CA 0.645 54.656 54.000 0.018 0.000 0.886 84 D CB 1.790 42.600 40.800 0.016 0.000 1.148 84 D HN 0.689 nan 8.370 nan 0.000 0.483 85 A N 4.286 127.115 122.820 0.014 0.000 2.076 85 A HA -0.113 4.207 4.320 -0.000 0.000 0.220 85 A C 2.112 179.741 177.584 0.076 0.000 1.160 85 A CA 1.834 53.892 52.037 0.034 0.000 0.653 85 A CB -0.471 18.509 19.000 -0.033 0.000 0.801 85 A HN 0.677 nan 8.150 nan 0.000 0.455 86 A N -1.695 121.159 122.820 0.057 0.000 2.019 86 A HA -0.090 4.230 4.320 -0.000 0.000 0.219 86 A C 1.756 179.403 177.584 0.105 0.000 1.164 86 A CA 1.501 53.589 52.037 0.084 0.000 0.644 86 A CB -0.097 18.938 19.000 0.057 0.000 0.805 86 A HN 0.465 nan 8.150 nan 0.000 0.449 87 Q N -1.270 118.586 119.800 0.093 0.000 2.112 87 Q HA 0.405 4.745 4.340 -0.000 0.000 0.222 87 Q C -0.112 175.952 176.000 0.107 0.000 0.798 87 Q CA 0.357 56.218 55.803 0.096 0.000 1.060 87 Q CB 0.342 29.123 28.738 0.072 0.000 1.184 87 Q HN 0.509 nan 8.270 nan 0.000 0.475 88 A N 1.140 124.037 122.820 0.129 0.000 2.363 88 A HA 0.593 4.913 4.320 -0.000 0.000 0.270 88 A C 0.039 177.731 177.584 0.180 0.000 1.121 88 A CA -0.238 51.887 52.037 0.147 0.000 0.800 88 A CB 0.553 19.651 19.000 0.163 0.000 1.052 88 A HN 0.043 nan 8.150 nan 0.000 0.493 89 R N 1.909 122.508 120.500 0.165 0.000 2.549 89 R HA 0.459 4.799 4.340 -0.000 0.000 0.267 89 R C -1.856 174.588 176.300 0.240 0.000 1.045 89 R CA -1.890 54.318 56.100 0.180 0.000 1.115 89 R CB 0.155 30.517 30.300 0.104 0.000 1.121 89 R HN 0.405 nan 8.270 nan 0.000 0.543 90 P HA -0.182 nan 4.420 nan 0.000 0.217 90 P C 0.338 177.845 177.300 0.346 0.000 1.148 90 P CA 1.537 64.869 63.100 0.387 0.000 0.828 90 P CB 0.168 32.118 31.700 0.416 0.000 0.783 91 S N -2.877 112.947 115.700 0.207 0.000 2.603 91 S HA 0.023 4.493 4.470 -0.000 0.000 0.220 91 S C 0.726 175.397 174.600 0.118 0.000 0.967 91 S CA 0.017 58.290 58.200 0.121 0.000 0.920 91 S CB -0.663 62.583 63.200 0.077 0.000 0.773 91 S HN 0.027 nan 8.310 nan 0.000 0.529 92 D N 2.561 123.061 120.400 0.167 0.000 2.383 92 D HA 0.354 4.994 4.640 -0.000 0.000 0.248 92 D C -0.426 175.990 176.300 0.194 0.000 1.170 92 D CA -0.180 53.914 54.000 0.156 0.000 0.977 92 D CB 0.470 41.359 40.800 0.148 0.000 1.120 92 D HN 0.128 nan 8.370 nan 0.000 0.481 93 N N -0.138 118.663 118.700 0.168 0.000 2.400 93 N HA 0.435 5.175 4.740 -0.000 0.000 0.288 93 N C -0.550 175.025 175.510 0.109 0.000 1.024 93 N CA -0.352 52.801 53.050 0.172 0.000 0.894 93 N CB 1.212 39.835 38.487 0.226 0.000 1.173 93 N HN 0.444 nan 8.380 nan 0.000 0.487 94 C N -1.173 118.165 119.300 0.063 0.000 3.239 94 C HA 0.567 5.027 4.460 -0.000 0.000 0.317 94 C C -0.507 174.438 174.990 -0.075 0.000 1.310 94 C CA -0.956 58.069 59.018 0.011 0.000 1.371 94 C CB 0.514 28.280 27.740 0.043 0.000 1.714 94 C HN 0.357 nan 8.230 nan 0.000 0.473 95 V N 2.539 122.408 119.914 -0.075 0.000 2.368 95 V HA 0.199 4.319 4.120 -0.000 0.000 0.266 95 V C 0.776 176.793 176.094 -0.129 0.000 1.045 95 V CA 0.215 62.463 62.300 -0.086 0.000 0.899 95 V CB 0.381 32.176 31.823 -0.048 0.000 1.006 95 V HN 0.928 nan 8.190 nan 0.000 0.470 96 F N 4.128 123.847 119.950 -0.385 0.000 2.146 96 F HA -0.031 4.496 4.527 -0.000 0.000 0.298 96 F C 1.250 176.935 175.800 -0.191 0.000 1.096 96 F CA 1.310 59.016 58.000 -0.490 0.000 1.275 96 F CB 0.511 38.989 39.000 -0.870 0.000 1.008 96 F HN 0.627 nan 8.300 nan 0.000 0.480 97 S N -1.176 114.444 115.700 -0.133 0.000 2.578 97 S HA 0.612 5.082 4.470 -0.000 0.000 0.272 97 S C -1.454 173.154 174.600 0.013 0.000 1.145 97 S CA -0.932 57.178 58.200 -0.149 0.000 0.835 97 S CB 1.827 64.957 63.200 -0.117 0.000 1.104 97 S HN -0.059 nan 8.310 nan 0.000 0.458 98 V N 1.903 121.808 119.914 -0.016 0.000 2.569 98 V HA 0.772 4.892 4.120 -0.000 0.000 0.301 98 V C -0.563 175.548 176.094 0.030 0.000 1.044 98 V CA -0.309 62.010 62.300 0.031 0.000 0.874 98 V CB 1.259 33.083 31.823 0.002 0.000 1.002 98 V HN 1.140 nan 8.190 nan 0.000 0.424 99 E N 4.257 124.509 120.200 0.087 0.000 2.458 99 E HA 0.658 5.008 4.350 -0.000 0.000 0.278 99 E C -1.098 175.571 176.600 0.114 0.000 1.004 99 E CA -1.220 55.240 56.400 0.099 0.000 0.823 99 E CB 2.087 31.874 29.700 0.145 0.000 1.396 99 E HN 0.422 nan 8.360 nan 0.000 0.463 100 L N 1.404 122.699 121.223 0.120 0.000 2.559 100 L HA 0.067 4.407 4.340 -0.000 0.000 0.282 100 L C -0.229 176.714 176.870 0.122 0.000 1.232 100 L CA 0.573 55.472 54.840 0.099 0.000 0.885 100 L CB 0.526 42.645 42.059 0.100 0.000 1.131 100 L HN 0.633 nan 8.230 nan 0.000 0.498 101 Q N 4.020 123.876 119.800 0.094 0.000 2.349 101 Q HA 0.344 4.684 4.340 -0.000 0.000 0.254 101 Q C -1.066 174.988 176.000 0.090 0.000 0.980 101 Q CA -0.345 55.525 55.803 0.111 0.000 0.924 101 Q CB 0.551 29.351 28.738 0.104 0.000 1.209 101 Q HN 0.648 nan 8.270 nan 0.000 0.445 102 L N 7.576 128.874 121.223 0.125 0.000 2.601 102 L HA 0.149 4.489 4.340 -0.000 0.000 0.277 102 L C -1.819 175.118 176.870 0.111 0.000 1.219 102 L CA -0.423 54.488 54.840 0.118 0.000 0.915 102 L CB -0.279 41.906 42.059 0.210 0.000 1.160 102 L HN 0.675 nan 8.230 nan 0.000 0.494 103 P HA 0.220 nan 4.420 nan 0.000 0.274 103 P C -2.630 174.749 177.300 0.132 0.000 1.237 103 P CA -1.475 61.658 63.100 0.055 0.000 0.793 103 P CB -0.232 31.438 31.700 -0.051 0.000 0.977 104 P HA 0.104 nan 4.420 nan 0.000 0.267 104 P C 1.015 178.360 177.300 0.076 0.000 1.205 104 P CA 0.004 63.149 63.100 0.074 0.000 0.765 104 P CB 0.485 32.207 31.700 0.035 0.000 0.828 105 K N 3.228 123.636 120.400 0.014 0.000 2.057 105 K HA -0.179 4.141 4.320 -0.000 0.000 0.207 105 K C 1.797 178.338 176.600 -0.099 0.000 1.049 105 K CA 1.578 57.765 56.287 -0.166 0.000 0.931 105 K CB -0.495 31.730 32.500 -0.457 0.000 0.714 105 K HN 0.463 nan 8.250 nan 0.000 0.440 106 A N 1.054 123.837 122.820 -0.061 0.000 1.908 106 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 106 A C 2.309 179.900 177.584 0.011 0.000 1.181 106 A CA 2.130 54.150 52.037 -0.028 0.000 0.627 106 A CB -0.824 18.163 19.000 -0.022 0.000 0.818 106 A HN 0.505 nan 8.150 nan 0.000 0.445 107 A N -0.552 122.281 122.820 0.022 0.000 1.929 107 A HA 0.294 4.614 4.320 -0.000 0.000 0.216 107 A C 2.481 180.107 177.584 0.070 0.000 1.176 107 A CA 1.739 53.797 52.037 0.035 0.000 0.628 107 A CB -0.907 18.102 19.000 0.015 0.000 0.816 107 A HN 1.002 nan 8.150 nan 0.000 0.444 108 A N -0.013 122.862 122.820 0.092 0.000 1.877 108 A HA -0.050 4.270 4.320 -0.000 0.000 0.216 108 A C 2.163 179.883 177.584 0.227 0.000 1.186 108 A CA 1.514 53.645 52.037 0.157 0.000 0.620 108 A CB -0.631 18.555 19.000 0.310 0.000 0.822 108 A HN 0.454 nan 8.150 nan 0.000 0.443 109 L N -0.860 120.477 121.223 0.189 0.000 2.056 109 L HA -0.169 4.171 4.340 -0.000 0.000 0.207 109 L C 3.109 180.041 176.870 0.103 0.000 1.078 109 L CA 0.944 55.879 54.840 0.158 0.000 0.749 109 L CB -0.569 41.542 42.059 0.086 0.000 0.901 109 L HN 0.451 nan 8.230 nan 0.000 0.433 110 A N -0.275 122.595 122.820 0.083 0.000 1.908 110 A HA -0.316 4.004 4.320 -0.000 0.000 0.218 110 A C 2.115 179.745 177.584 0.077 0.000 1.181 110 A CA 2.163 54.239 52.037 0.064 0.000 0.627 110 A CB -0.831 18.201 19.000 0.054 0.000 0.818 110 A HN 0.575 nan 8.150 nan 0.000 0.445 111 H N -0.259 118.824 119.070 0.020 0.000 2.326 111 H HA 0.037 4.593 4.556 -0.000 0.000 0.301 111 H C 1.691 177.032 175.328 0.023 0.000 1.081 111 H CA 1.947 57.999 56.048 0.007 0.000 1.334 111 H CB -0.303 29.446 29.762 -0.021 0.000 1.385 111 H HN 0.346 nan 8.280 nan 0.000 0.504 112 L N -0.094 121.052 121.223 -0.129 0.000 2.109 112 L HA -0.098 4.242 4.340 -0.000 0.000 0.207 112 L C 1.793 178.613 176.870 -0.084 0.000 1.086 112 L CA 1.363 56.117 54.840 -0.143 0.000 0.760 112 L CB -0.175 41.941 42.059 0.095 0.000 0.910 112 L HN 0.370 nan 8.230 nan 0.000 0.437 113 D N -0.421 119.969 120.400 -0.016 0.000 2.290 113 D HA -0.024 4.616 4.640 -0.000 0.000 0.224 113 D C 1.963 178.254 176.300 -0.015 0.000 0.967 113 D CA 0.877 54.879 54.000 0.002 0.000 0.893 113 D CB 0.087 40.910 40.800 0.037 0.000 1.037 113 D HN 0.109 nan 8.370 nan 0.000 0.477 114 R N -0.211 120.283 120.500 -0.011 0.000 2.359 114 R HA 0.251 4.591 4.340 -0.000 0.000 0.231 114 R C 0.989 177.279 176.300 -0.016 0.000 0.913 114 R CA 0.399 56.495 56.100 -0.006 0.000 1.075 114 R CB 0.576 30.882 30.300 0.010 0.000 1.087 114 R HN 0.180 nan 8.270 nan 0.000 0.515 115 G N 0.444 109.212 108.800 -0.054 0.000 2.175 115 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.265 115 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.265 115 G C 0.167 175.074 174.900 0.012 0.000 0.979 115 G CA 0.544 45.610 45.100 -0.057 0.000 0.663 115 G HN 0.346 nan 8.290 nan 0.000 0.533 116 S N 1.438 117.162 115.700 0.040 0.000 2.576 116 S HA 0.405 4.874 4.470 -0.000 0.000 0.272 116 S C -1.617 173.074 174.600 0.151 0.000 1.352 116 S CA -0.394 57.851 58.200 0.074 0.000 1.021 116 S CB 0.827 64.065 63.200 0.062 0.000 0.887 116 S HN 0.282 nan 8.310 nan 0.000 0.542 117 P HA 0.197 nan 4.420 nan 0.000 0.267 117 P C -2.492 174.818 177.300 0.015 0.000 1.200 117 P CA -0.999 62.143 63.100 0.071 0.000 0.772 117 P CB -0.467 31.245 31.700 0.020 0.000 0.855 118 P HA 0.113 nan 4.420 nan 0.000 0.268 118 P C -2.098 175.089 177.300 -0.189 0.000 1.205 118 P CA -0.818 62.045 63.100 -0.395 0.000 0.771 118 P CB -0.937 30.445 31.700 -0.530 0.000 0.858 119 P HA 0.099 nan 4.420 nan 0.000 0.272 119 P C -0.601 176.643 177.300 -0.094 0.000 1.230 119 P CA -0.289 62.758 63.100 -0.089 0.000 0.788 119 P CB 0.422 32.082 31.700 -0.068 0.000 0.949 120 A N 2.747 125.541 122.820 -0.044 0.000 2.566 120 A HA -0.012 4.308 4.320 -0.000 0.000 0.245 120 A C 0.713 178.272 177.584 -0.043 0.000 1.056 120 A CA 0.044 52.067 52.037 -0.024 0.000 0.757 120 A CB -0.562 18.468 19.000 0.049 0.000 0.979 120 A HN 0.587 nan 8.150 nan 0.000 0.508 121 R N 2.541 122.997 120.500 -0.073 0.000 2.248 121 R HA 0.335 4.675 4.340 -0.000 0.000 0.328 121 R C -0.428 175.833 176.300 -0.065 0.000 1.067 121 R CA 0.160 56.209 56.100 -0.084 0.000 0.924 121 R CB 0.309 30.543 30.300 -0.110 0.000 1.013 121 R HN 0.869 nan 8.270 nan 0.000 0.454 122 E N 1.966 122.146 120.200 -0.033 0.000 2.378 122 E HA 0.637 4.987 4.350 -0.000 0.000 0.265 122 E C -1.335 175.266 176.600 0.002 0.000 0.932 122 E CA -1.199 55.191 56.400 -0.015 0.000 0.795 122 E CB 2.115 31.849 29.700 0.057 0.000 1.296 122 E HN 0.662 nan 8.360 nan 0.000 0.438 123 A N 1.023 123.849 122.820 0.010 0.000 2.384 123 A HA 0.698 5.018 4.320 -0.000 0.000 0.312 123 A C -1.659 175.979 177.584 0.090 0.000 1.113 123 A CA -0.586 51.476 52.037 0.042 0.000 0.779 123 A CB 1.053 20.062 19.000 0.014 0.000 1.307 123 A HN 0.381 nan 8.150 nan 0.000 0.436 124 L N 1.399 122.697 121.223 0.125 0.000 2.325 124 L HA 0.750 5.090 4.340 -0.000 0.000 0.281 124 L C 0.055 177.033 176.870 0.180 0.000 1.004 124 L CA -0.050 54.890 54.840 0.168 0.000 0.823 124 L CB 1.267 43.448 42.059 0.203 0.000 1.236 124 L HN 0.881 nan 8.230 nan 0.000 0.415 125 A N 6.446 129.375 122.820 0.182 0.000 2.288 125 A HA 0.695 5.015 4.320 -0.000 0.000 0.320 125 A C -0.576 177.140 177.584 0.220 0.000 1.217 125 A CA -0.461 51.681 52.037 0.174 0.000 0.840 125 A CB 0.326 19.410 19.000 0.139 0.000 1.179 125 A HN 0.684 nan 8.150 nan 0.000 0.504 126 I N 3.276 124.004 120.570 0.262 0.000 2.304 126 I HA 0.295 4.465 4.170 -0.000 0.000 0.291 126 I C -0.687 175.566 176.117 0.227 0.000 1.018 126 I CA -0.448 61.055 61.300 0.338 0.000 1.260 126 I CB 1.448 39.760 38.000 0.519 0.000 1.390 126 I HN 0.285 nan 8.210 nan 0.000 0.475 127 V N 7.264 127.268 119.914 0.151 0.000 2.409 127 V HA 0.340 4.460 4.120 -0.000 0.000 0.291 127 V C -0.106 176.001 176.094 0.022 0.000 1.020 127 V CA -0.545 61.699 62.300 -0.094 0.000 0.848 127 V CB 1.467 33.019 31.823 -0.451 0.000 0.990 127 V HN 0.442 nan 8.190 nan 0.000 0.430 128 F N 4.654 124.518 119.950 -0.144 0.000 2.434 128 F HA 0.360 4.887 4.527 -0.000 0.000 0.358 128 F C 0.290 176.092 175.800 0.002 0.000 1.136 128 F CA -0.352 57.684 58.000 0.061 0.000 1.157 128 F CB 0.385 39.481 39.000 0.160 0.000 1.167 128 F HN 0.456 nan 8.300 nan 0.000 0.539 129 F N 2.066 122.237 119.950 0.368 0.000 2.509 129 F HA 0.200 4.727 4.527 0.000 0.000 0.344 129 F C 1.397 177.100 175.800 -0.161 0.000 1.197 129 F CA -0.426 57.643 58.000 0.115 0.000 1.294 129 F CB 0.508 39.541 39.000 0.055 0.000 1.643 129 F HN 0.577 nan 8.300 nan 0.000 0.596 130 G N 0.527 109.313 108.800 -0.023 0.000 2.920 130 G HA2 0.050 4.010 3.960 -0.000 0.000 0.208 130 G HA3 0.050 4.010 3.960 -0.000 0.000 0.208 130 G C 1.066 175.896 174.900 -0.118 0.000 1.159 130 G CA 0.084 44.939 45.100 -0.408 0.000 0.784 130 G HN 0.609 nan 8.290 nan 0.000 0.535 131 G N 0.457 109.275 108.800 0.029 0.000 3.727 131 G HA2 0.543 4.503 3.960 -0.000 0.000 0.301 131 G HA3 0.543 4.503 3.960 -0.000 0.000 0.301 131 G C -0.262 174.648 174.900 0.017 0.000 1.128 131 G CA -0.392 44.734 45.100 0.043 0.000 1.545 131 G HN 0.559 nan 8.290 nan 0.000 0.555 132 Q N 0.033 119.815 119.800 -0.031 0.000 2.791 132 Q HA 0.213 4.553 4.340 -0.000 0.000 0.280 132 Q C -2.717 173.250 176.000 -0.055 0.000 0.928 132 Q CA -1.338 54.440 55.803 -0.043 0.000 0.819 132 Q CB 0.685 29.385 28.738 -0.063 0.000 1.552 132 Q HN 0.001 nan 8.270 nan 0.000 0.410 133 P HA -0.251 nan 4.420 nan 0.000 0.217 133 P C -0.344 176.930 177.300 -0.044 0.000 1.158 133 P CA 1.895 64.973 63.100 -0.037 0.000 0.887 133 P CB 0.119 31.799 31.700 -0.032 0.000 0.792 134 Q N -1.194 118.572 119.800 -0.057 0.000 2.558 134 Q HA 0.450 4.790 4.340 -0.000 0.000 0.252 134 Q C -2.873 173.074 176.000 -0.089 0.000 1.015 134 Q CA -2.417 53.350 55.803 -0.059 0.000 0.720 134 Q CB 0.952 29.666 28.738 -0.040 0.000 1.215 134 Q HN 0.092 nan 8.270 nan 0.000 0.500 135 P HA 0.057 nan 4.420 nan 0.000 0.271 135 P C -0.967 176.236 177.300 -0.161 0.000 1.216 135 P CA 0.110 63.037 63.100 -0.289 0.000 0.771 135 P CB 0.615 31.913 31.700 -0.671 0.000 0.864 136 N N 0.442 119.134 118.700 -0.012 0.000 2.853 136 N HA 0.498 5.238 4.740 -0.000 0.000 0.258 136 N C -1.789 173.885 175.510 0.272 0.000 1.444 136 N CA -0.971 52.151 53.050 0.121 0.000 0.837 136 N CB 0.794 39.321 38.487 0.065 0.000 1.489 136 N HN -0.017 nan 8.380 nan 0.000 0.529 137 V N 0.109 120.090 119.914 0.112 0.000 2.398 137 V HA 0.588 4.708 4.120 -0.000 0.000 0.286 137 V C -0.378 175.788 176.094 0.120 0.000 1.026 137 V CA -0.370 61.981 62.300 0.084 0.000 0.868 137 V CB 1.089 32.794 31.823 -0.196 0.000 0.982 137 V HN 0.806 nan 8.190 nan 0.000 0.443 138 T N 4.385 119.085 114.554 0.244 0.000 2.829 138 T HA 0.433 4.783 4.350 -0.000 0.000 0.280 138 T C -0.444 174.411 174.700 0.259 0.000 0.999 138 T CA -0.533 61.739 62.100 0.286 0.000 0.983 138 T CB 1.357 70.542 68.868 0.528 0.000 0.968 138 T HN 0.710 nan 8.240 nan 0.000 0.446 139 E N 2.627 122.975 120.200 0.247 0.000 2.134 139 E HA 0.444 4.793 4.350 -0.000 0.000 0.278 139 E C -0.822 175.912 176.600 0.224 0.000 0.959 139 E CA -0.436 56.121 56.400 0.261 0.000 0.783 139 E CB 1.122 30.996 29.700 0.290 0.000 1.095 139 E HN 0.405 nan 8.360 nan 0.000 0.399 140 L N 3.085 124.442 121.223 0.223 0.000 2.341 140 L HA 0.428 4.768 4.340 -0.000 0.000 0.278 140 L C -0.548 176.441 176.870 0.197 0.000 1.005 140 L CA -1.139 53.827 54.840 0.212 0.000 0.818 140 L CB 1.770 43.965 42.059 0.226 0.000 1.259 140 L HN 0.252 nan 8.230 nan 0.000 0.418 141 V N 4.363 124.395 119.914 0.196 0.000 2.385 141 V HA 0.261 4.381 4.120 -0.000 0.000 0.269 141 V C 0.106 176.331 176.094 0.219 0.000 1.043 141 V CA -0.432 61.985 62.300 0.195 0.000 0.906 141 V CB 1.547 33.484 31.823 0.190 0.000 0.995 141 V HN 0.419 nan 8.190 nan 0.000 0.467 142 V N 4.774 124.758 119.914 0.115 0.000 2.435 142 V HA 0.992 5.112 4.120 -0.000 0.000 0.290 142 V C 0.591 176.535 176.094 -0.250 0.000 1.030 142 V CA 0.186 62.457 62.300 -0.048 0.000 0.881 142 V CB 1.241 33.054 31.823 -0.016 0.000 0.983 142 V HN 1.050 nan 8.190 nan 0.000 0.445 143 G N 5.406 113.771 108.800 -0.726 0.000 2.441 143 G HA2 0.605 4.565 3.960 -0.000 0.000 0.294 143 G HA3 0.605 4.565 3.960 -0.000 0.000 0.294 143 G C -3.539 170.569 174.900 -1.321 0.000 1.393 143 G CA -0.769 43.858 45.100 -0.788 0.000 0.796 143 G HN 0.481 nan 8.290 nan 0.000 0.494 144 P HA 0.529 nan 4.420 nan 0.000 0.290 144 P C -0.181 176.963 177.300 -0.260 0.000 1.275 144 P CA -0.545 62.378 63.100 -0.295 0.000 0.841 144 P CB 1.634 33.270 31.700 -0.106 0.000 1.042 145 L N 4.318 125.427 121.223 -0.190 0.000 2.417 145 L HA 0.225 4.565 4.340 -0.000 0.000 0.268 145 L C -0.479 176.317 176.870 -0.123 0.000 1.158 145 L CA -1.427 53.319 54.840 -0.157 0.000 0.819 145 L CB 0.296 42.279 42.059 -0.127 0.000 1.112 145 L HN 0.345 nan 8.230 nan 0.000 0.458 146 P HA -0.080 nan 4.420 nan 0.000 0.227 146 P C 0.034 177.259 177.300 -0.125 0.000 1.161 146 P CA 0.612 63.648 63.100 -0.107 0.000 0.788 146 P CB 0.376 32.027 31.700 -0.082 0.000 0.822 147 Q N 1.204 120.921 119.800 -0.138 0.000 2.413 147 Q HA 0.402 4.742 4.340 -0.000 0.000 0.258 147 Q C -2.699 173.151 176.000 -0.250 0.000 1.037 147 Q CA -2.773 52.939 55.803 -0.151 0.000 0.764 147 Q CB 1.125 29.807 28.738 -0.093 0.000 1.217 147 Q HN 0.010 nan 8.270 nan 0.000 0.490 148 P HA 0.127 nan 4.420 nan 0.000 0.271 148 P C -0.349 176.518 177.300 -0.722 0.000 1.218 148 P CA 0.048 62.696 63.100 -0.753 0.000 0.780 148 P CB 1.356 32.375 31.700 -1.136 0.000 0.901 149 S N -0.170 115.110 115.700 -0.700 0.000 2.648 149 S HA 0.156 4.626 4.470 -0.000 0.000 0.270 149 S C 0.025 174.650 174.600 0.041 0.000 1.082 149 S CA -0.266 57.818 58.200 -0.194 0.000 1.116 149 S CB -0.412 62.767 63.200 -0.035 0.000 1.040 149 S HN 0.473 nan 8.310 nan 0.000 0.572 150 Y N 0.209 120.465 120.300 -0.073 0.000 2.630 150 Y HA 0.852 5.402 4.550 -0.000 0.000 0.337 150 Y C -0.469 175.530 175.900 0.165 0.000 1.051 150 Y CA -1.781 56.384 58.100 0.109 0.000 1.121 150 Y CB 1.360 39.849 38.460 0.049 0.000 1.299 150 Y HN 0.127 nan 8.280 nan 0.000 0.498 151 M N 3.600 123.497 119.600 0.495 0.000 2.291 151 M HA 0.410 4.890 4.480 -0.000 0.000 0.202 151 M C -2.150 174.333 176.300 0.304 0.000 0.985 151 M CA -0.420 55.127 55.300 0.412 0.000 0.993 151 M CB 0.865 33.753 32.600 0.479 0.000 2.723 151 M HN 1.000 nan 8.290 nan 0.000 0.402 152 R N 0.787 121.454 120.500 0.277 0.000 2.428 152 R HA 0.539 4.879 4.340 -0.000 0.000 0.294 152 R C -0.702 175.691 176.300 0.154 0.000 1.000 152 R CA -0.871 55.331 56.100 0.171 0.000 0.960 152 R CB 1.145 31.503 30.300 0.097 0.000 1.076 152 R HN 0.350 nan 8.270 nan 0.000 0.475 153 D N 2.614 123.089 120.400 0.124 0.000 2.339 153 D HA 0.067 4.707 4.640 -0.000 0.000 0.241 153 D C 0.663 177.016 176.300 0.088 0.000 1.183 153 D CA -0.579 53.495 54.000 0.123 0.000 0.859 153 D CB 1.560 42.427 40.800 0.111 0.000 1.067 153 D HN 0.472 nan 8.370 nan 0.000 0.484 154 V N 1.392 121.361 119.914 0.092 0.000 3.271 154 V HA 0.135 4.255 4.120 -0.000 0.000 0.327 154 V C 1.541 177.640 176.094 0.008 0.000 1.389 154 V CA -0.065 62.263 62.300 0.047 0.000 1.156 154 V CB -0.228 31.627 31.823 0.052 0.000 1.103 154 V HN 0.382 nan 8.190 nan 0.000 0.453 155 T N 1.467 116.054 114.554 0.055 0.000 2.643 155 T HA -0.143 4.207 4.350 -0.000 0.000 0.264 155 T C 1.964 176.675 174.700 0.019 0.000 1.045 155 T CA 2.163 64.307 62.100 0.074 0.000 1.155 155 T CB -0.220 68.726 68.868 0.129 0.000 0.863 155 T HN 0.394 nan 8.240 nan 0.000 0.420 156 V N 1.698 121.629 119.914 0.028 0.000 2.343 156 V HA -0.166 3.954 4.120 -0.000 0.000 0.247 156 V C 2.543 178.630 176.094 -0.010 0.000 1.051 156 V CA 1.881 64.193 62.300 0.021 0.000 1.036 156 V CB -0.695 31.140 31.823 0.020 0.000 0.654 156 V HN 0.572 nan 8.190 nan 0.000 0.451 157 E N 0.124 120.309 120.200 -0.025 0.000 2.160 157 E HA -0.242 4.108 4.350 -0.000 0.000 0.195 157 E C 2.341 178.895 176.600 -0.076 0.000 0.991 157 E CA 1.367 57.746 56.400 -0.035 0.000 0.810 157 E CB 0.043 29.730 29.700 -0.022 0.000 0.742 157 E HN 0.542 nan 8.360 nan 0.000 0.466 158 R N -1.450 118.937 120.500 -0.189 0.000 2.206 158 R HA 0.089 4.429 4.340 -0.000 0.000 0.198 158 R C 0.999 177.085 176.300 -0.357 0.000 0.986 158 R CA 0.540 56.432 56.100 -0.347 0.000 1.029 158 R CB 0.423 30.369 30.300 -0.589 0.000 0.966 158 R HN 0.237 nan 8.270 nan 0.000 0.487 159 H N -1.365 117.739 119.070 0.058 0.000 2.662 159 H HA 0.262 4.818 4.556 -0.000 0.000 0.268 159 H C 0.745 176.091 175.328 0.030 0.000 1.152 159 H CA 0.328 56.404 56.048 0.047 0.000 1.072 159 H CB 1.147 30.921 29.762 0.021 0.000 1.660 159 H HN 0.346 nan 8.280 nan 0.000 0.584 160 G N 1.041 109.894 108.800 0.088 0.000 2.258 160 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.274 160 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.274 160 G C 0.677 175.610 174.900 0.055 0.000 1.021 160 G CA 0.829 45.965 45.100 0.060 0.000 0.798 160 G HN 0.981 nan 8.290 nan 0.000 0.507 161 G N -2.047 106.790 108.800 0.062 0.000 2.369 161 G HA2 0.474 4.434 3.960 -0.000 0.000 0.295 161 G HA3 0.474 4.434 3.960 -0.000 0.000 0.295 161 G C -2.907 172.020 174.900 0.045 0.000 1.298 161 G CA -0.127 44.999 45.100 0.043 0.000 0.940 161 G HN 0.508 nan 8.290 nan 0.000 0.536 162 P HA 0.305 nan 4.420 nan 0.000 0.267 162 P C -0.107 177.153 177.300 -0.066 0.000 1.195 162 P CA 0.018 63.111 63.100 -0.012 0.000 0.773 162 P CB 0.383 32.069 31.700 -0.023 0.000 0.837 163 L N 4.978 126.126 121.223 -0.124 0.000 2.259 163 L HA 0.322 4.662 4.340 -0.000 0.000 0.288 163 L C -2.049 174.640 176.870 -0.301 0.000 1.051 163 L CA -2.185 52.481 54.840 -0.290 0.000 0.824 163 L CB 0.941 42.706 42.059 -0.490 0.000 1.206 163 L HN 0.196 nan 8.230 nan 0.000 0.429 164 P HA -0.136 nan 4.420 nan 0.000 0.265 164 P C 0.210 177.167 177.300 -0.572 0.000 1.187 164 P CA 0.326 63.094 63.100 -0.553 0.000 0.766 164 P CB 0.434 31.514 31.700 -1.033 0.000 0.820 165 Y N 2.703 122.694 120.300 -0.515 0.000 2.421 165 Y HA -0.242 4.308 4.550 0.000 0.000 0.292 165 Y C 1.817 177.523 175.900 -0.324 0.000 1.136 165 Y CA 0.928 58.815 58.100 -0.355 0.000 1.255 165 Y CB -0.214 38.143 38.460 -0.170 0.000 0.991 165 Y HN 0.417 nan 8.280 nan 0.000 0.552 166 Y N -1.906 118.335 120.300 -0.098 0.000 2.583 166 Y HA 0.122 4.672 4.550 -0.000 0.000 0.293 166 Y C 1.791 177.593 175.900 -0.162 0.000 1.157 166 Y CA -0.055 57.958 58.100 -0.144 0.000 1.315 166 Y CB -0.896 37.527 38.460 -0.061 0.000 1.021 166 Y HN -0.106 nan 8.280 nan 0.000 0.536 167 R N 1.524 121.893 120.500 -0.217 0.000 2.161 167 R HA 0.043 4.383 4.340 -0.000 0.000 0.213 167 R C 0.834 177.066 176.300 -0.113 0.000 1.055 167 R CA 0.222 56.271 56.100 -0.085 0.000 0.996 167 R CB -0.117 30.089 30.300 -0.156 0.000 0.901 167 R HN 0.400 nan 8.270 nan 0.000 0.456 168 R N 3.254 123.530 120.500 -0.373 0.000 2.583 168 R HA 0.038 4.377 4.340 -0.000 0.000 0.274 168 R C -2.354 173.731 176.300 -0.358 0.000 0.998 168 R CA -1.142 54.619 56.100 -0.564 0.000 1.081 168 R CB -0.333 29.042 30.300 -1.542 0.000 0.940 168 R HN -0.124 nan 8.270 nan 0.000 0.413 169 P HA -0.058 nan 4.420 nan 0.000 0.269 169 P C -0.318 176.993 177.300 0.018 0.000 1.217 169 P CA -0.320 62.722 63.100 -0.096 0.000 0.783 169 P CB 0.429 32.100 31.700 -0.048 0.000 0.898 170 V N 3.035 123.014 119.914 0.108 0.000 2.439 170 V HA -0.014 4.106 4.120 -0.000 0.000 0.271 170 V C 1.047 177.200 176.094 0.098 0.000 1.040 170 V CA -0.199 62.099 62.300 -0.004 0.000 1.002 170 V CB 0.010 31.670 31.823 -0.271 0.000 1.000 170 V HN 0.373 nan 8.190 nan 0.000 0.477 171 L N 4.481 125.813 121.223 0.182 0.000 2.461 171 L HA 0.097 4.437 4.340 -0.000 0.000 0.272 171 L C 1.116 178.157 176.870 0.285 0.000 1.197 171 L CA 0.416 55.455 54.840 0.331 0.000 0.836 171 L CB 0.482 42.744 42.059 0.338 0.000 1.105 171 L HN 0.630 nan 8.230 nan 0.000 0.477 172 L N 2.551 124.024 121.223 0.417 0.000 2.127 172 L HA -0.168 4.172 4.340 -0.000 0.000 0.211 172 L C 2.401 179.480 176.870 0.349 0.000 1.089 172 L CA 1.597 56.714 54.840 0.462 0.000 0.757 172 L CB -0.575 41.715 42.059 0.385 0.000 0.899 172 L HN 0.808 nan 8.230 nan 0.000 0.434 173 R N -0.158 120.508 120.500 0.275 0.000 2.115 173 R HA -0.175 4.165 4.340 -0.000 0.000 0.230 173 R C 2.284 178.736 176.300 0.254 0.000 1.111 173 R CA 1.697 57.938 56.100 0.235 0.000 0.976 173 R CB -0.312 30.111 30.300 0.206 0.000 0.870 173 R HN 0.612 nan 8.270 nan 0.000 0.445 174 E N -1.243 119.102 120.200 0.242 0.000 2.072 174 E HA -0.197 4.153 4.350 -0.000 0.000 0.191 174 E C 1.473 178.176 176.600 0.172 0.000 0.985 174 E CA 1.162 57.709 56.400 0.244 0.000 0.801 174 E CB -0.140 29.635 29.700 0.126 0.000 0.750 174 E HN 0.505 nan 8.360 nan 0.000 0.452 175 Y N 0.531 120.958 120.300 0.211 0.000 2.114 175 Y HA -0.217 4.333 4.550 0.000 0.000 0.284 175 Y C 2.338 178.303 175.900 0.108 0.000 1.143 175 Y CA 0.939 59.121 58.100 0.136 0.000 1.135 175 Y CB -0.071 38.507 38.460 0.196 0.000 0.980 175 Y HN 0.053 nan 8.280 nan 0.000 0.499 176 L N -0.248 121.167 121.223 0.320 0.000 2.079 176 L HA -0.270 4.069 4.340 -0.000 0.000 0.210 176 L C 1.703 178.696 176.870 0.204 0.000 1.081 176 L CA 1.280 56.256 54.840 0.227 0.000 0.752 176 L CB -0.485 41.692 42.059 0.197 0.000 0.896 176 L HN 0.230 nan 8.230 nan 0.000 0.433 177 D N -0.052 120.491 120.400 0.238 0.000 2.178 177 D HA -0.112 4.528 4.640 -0.000 0.000 0.202 177 D C 2.237 178.720 176.300 0.305 0.000 0.974 177 D CA 1.092 55.242 54.000 0.250 0.000 0.841 177 D CB -0.021 40.949 40.800 0.284 0.000 0.953 177 D HN 0.327 nan 8.370 nan 0.000 0.478 178 I N 0.661 121.389 120.570 0.264 0.000 2.353 178 I HA -0.185 3.985 4.170 -0.000 0.000 0.248 178 I C 1.668 177.770 176.117 -0.025 0.000 1.119 178 I CA 0.822 62.161 61.300 0.066 0.000 1.417 178 I CB -0.047 37.774 38.000 -0.299 0.000 1.078 178 I HN -0.147 nan 8.210 nan 0.000 0.421 179 D N 0.583 121.016 120.400 0.056 0.000 2.097 179 D HA -0.165 4.475 4.640 -0.000 0.000 0.195 179 D C 2.295 178.786 176.300 0.319 0.000 0.989 179 D CA 1.012 55.133 54.000 0.201 0.000 0.827 179 D CB -0.257 40.724 40.800 0.300 0.000 0.966 179 D HN 0.255 nan 8.370 nan 0.000 0.456 180 Q N 0.135 120.072 119.800 0.229 0.000 2.014 180 Q HA -0.202 4.138 4.340 -0.000 0.000 0.207 180 Q C 2.289 178.387 176.000 0.162 0.000 0.993 180 Q CA 1.050 56.971 55.803 0.195 0.000 0.850 180 Q CB -0.632 28.184 28.738 0.131 0.000 0.916 180 Q HN 0.400 nan 8.270 nan 0.000 0.417 181 M N 0.155 119.830 119.600 0.124 0.000 2.073 181 M HA -0.213 4.267 4.480 -0.000 0.000 0.258 181 M C 2.141 178.458 176.300 0.028 0.000 1.070 181 M CA 1.597 56.950 55.300 0.090 0.000 1.103 181 M CB -0.170 32.516 32.600 0.143 0.000 1.321 181 M HN 0.152 nan 8.290 nan 0.000 0.405 182 I N -0.389 120.149 120.570 -0.053 0.000 2.163 182 I HA -0.318 3.852 4.170 -0.000 0.000 0.243 182 I C 1.841 177.806 176.117 -0.253 0.000 1.085 182 I CA 1.621 62.782 61.300 -0.232 0.000 1.347 182 I CB -0.379 37.348 38.000 -0.456 0.000 1.044 182 I HN 0.263 nan 8.210 nan 0.000 0.408 183 F N 0.264 120.235 119.950 0.036 0.000 2.664 183 F HA 0.002 4.529 4.527 -0.000 0.000 0.296 183 F C 1.952 177.793 175.800 0.068 0.000 1.125 183 F CA 0.805 58.844 58.000 0.066 0.000 1.444 183 F CB -0.267 38.774 39.000 0.069 0.000 1.114 183 F HN 0.098 nan 8.300 nan 0.000 0.576 184 N N -0.586 118.228 118.700 0.191 0.000 2.482 184 N HA 0.088 4.827 4.740 -0.000 0.000 0.179 184 N C 1.503 177.060 175.510 0.078 0.000 1.039 184 N CA 0.210 53.338 53.050 0.129 0.000 0.884 184 N CB 0.167 38.717 38.487 0.106 0.000 1.113 184 N HN 0.082 nan 8.380 nan 0.000 0.440 185 R N 0.084 120.614 120.500 0.051 0.000 2.221 185 R HA 0.209 4.549 4.340 -0.000 0.000 0.195 185 R C 1.282 177.579 176.300 -0.004 0.000 0.956 185 R CA 0.487 56.602 56.100 0.026 0.000 1.064 185 R CB 0.352 30.669 30.300 0.029 0.000 1.049 185 R HN 0.082 nan 8.270 nan 0.000 0.534 186 E N 1.201 121.383 120.200 -0.030 0.000 2.048 186 E HA 0.030 4.380 4.350 -0.000 0.000 0.193 186 E C 2.134 178.661 176.600 -0.120 0.000 0.956 186 E CA 0.549 56.904 56.400 -0.076 0.000 0.846 186 E CB -0.411 29.228 29.700 -0.101 0.000 0.827 186 E HN 0.102 nan 8.360 nan 0.000 0.466 187 L N 1.325 122.453 121.223 -0.159 0.000 2.021 187 L HA -0.202 4.138 4.340 -0.000 0.000 0.215 187 L C -0.422 176.289 176.870 -0.265 0.000 1.074 187 L CA 1.764 56.453 54.840 -0.252 0.000 0.760 187 L CB -1.909 40.008 42.059 -0.237 0.000 0.889 187 L HN 0.127 nan 8.230 nan 0.000 0.433 188 P HA -0.228 nan 4.420 nan 0.000 0.217 188 P C 1.418 178.667 177.300 -0.085 0.000 1.148 188 P CA 1.392 64.481 63.100 -0.019 0.000 0.834 188 P CB -0.082 31.655 31.700 0.062 0.000 0.783 189 Q N -1.272 118.464 119.800 -0.106 0.000 2.291 189 Q HA -0.024 4.316 4.340 -0.000 0.000 0.206 189 Q C 1.159 177.061 176.000 -0.164 0.000 0.976 189 Q CA 1.211 56.950 55.803 -0.106 0.000 0.875 189 Q CB -0.264 28.417 28.738 -0.095 0.000 0.927 189 Q HN 0.183 nan 8.270 nan 0.000 0.450 190 A N -0.281 122.382 122.820 -0.261 0.000 2.911 190 A HA 0.563 4.883 4.320 -0.000 0.000 0.304 190 A C 1.171 178.486 177.584 -0.450 0.000 1.144 190 A CA 0.201 52.026 52.037 -0.352 0.000 0.988 190 A CB 0.097 18.832 19.000 -0.442 0.000 1.141 190 A HN 0.246 nan 8.150 nan 0.000 0.552 191 A N -0.036 122.579 122.820 -0.342 0.000 1.933 191 A HA 0.129 4.449 4.320 -0.000 0.000 0.218 191 A C 2.178 179.568 177.584 -0.322 0.000 1.175 191 A CA 1.996 53.788 52.037 -0.407 0.000 0.628 191 A CB -0.775 18.183 19.000 -0.070 0.000 0.814 191 A HN 0.866 nan 8.150 nan 0.000 0.444 192 G N -0.862 107.886 108.800 -0.086 0.000 2.418 192 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.217 192 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.217 192 G C 1.617 176.426 174.900 -0.152 0.000 1.158 192 G CA 1.247 46.413 45.100 0.109 0.000 0.771 192 G HN 0.644 nan 8.290 nan 0.000 0.545 193 V N -0.040 119.509 119.914 -0.610 0.000 2.719 193 V HA 0.050 4.170 4.120 -0.000 0.000 0.252 193 V C 2.633 178.380 176.094 -0.578 0.000 1.065 193 V CA 1.189 62.820 62.300 -1.114 0.000 1.086 193 V CB -0.104 30.941 31.823 -1.297 0.000 0.700 193 V HN 0.197 nan 8.190 nan 0.000 0.467 194 L N -0.139 120.798 121.223 -0.478 0.000 2.131 194 L HA 0.021 4.361 4.340 -0.000 0.000 0.206 194 L C 2.530 179.373 176.870 -0.046 0.000 1.087 194 L CA 1.728 56.366 54.840 -0.337 0.000 0.767 194 L CB -1.263 40.407 42.059 -0.649 0.000 0.917 194 L HN 0.384 nan 8.230 nan 0.000 0.441 195 H N -1.911 117.202 119.070 0.072 0.000 2.387 195 H HA -0.199 4.357 4.556 -0.000 0.000 0.299 195 H C 2.209 177.612 175.328 0.124 0.000 1.099 195 H CA 1.913 58.056 56.048 0.159 0.000 1.315 195 H CB -0.180 29.680 29.762 0.162 0.000 1.380 195 H HN 0.466 nan 8.280 nan 0.000 0.513 196 H N 0.083 119.217 119.070 0.107 0.000 2.343 196 H HA -0.079 4.477 4.556 -0.000 0.000 0.303 196 H C 2.625 177.983 175.328 0.050 0.000 1.068 196 H CA 2.161 58.255 56.048 0.077 0.000 1.359 196 H CB -0.202 29.584 29.762 0.040 0.000 1.402 196 H HN 0.415 nan 8.280 nan 0.000 0.515 197 C N -1.026 118.313 119.300 0.064 0.000 2.476 197 C HA 0.094 4.554 4.460 -0.000 0.000 0.278 197 C C 1.937 176.963 174.990 0.060 0.000 1.274 197 C CA 0.355 59.391 59.018 0.030 0.000 1.713 197 C CB -0.789 26.981 27.740 0.050 0.000 2.039 197 C HN 0.649 nan 8.230 nan 0.000 0.484 198 C N 0.980 120.347 119.300 0.111 0.000 3.101 198 C HA 0.529 4.989 4.460 -0.000 0.000 0.253 198 C C 1.102 176.305 174.990 0.355 0.000 1.754 198 C CA 0.085 59.247 59.018 0.239 0.000 1.756 198 C CB -2.024 25.726 27.740 0.016 0.000 3.227 198 C HN 0.728 nan 8.230 nan 0.000 0.483 199 S N 1.064 116.917 115.700 0.255 0.000 3.368 199 S HA -0.283 4.187 4.470 -0.000 0.000 0.381 199 S C 0.163 174.946 174.600 0.306 0.000 0.975 199 S CA 0.141 58.485 58.200 0.240 0.000 1.199 199 S CB -1.221 62.067 63.200 0.146 0.000 0.902 199 S HN 0.760 nan 8.310 nan 0.000 0.472 200 Y N 2.148 122.552 120.300 0.174 0.000 2.887 200 Y HA -0.021 4.528 4.550 -0.000 0.000 0.350 200 Y C 1.093 177.127 175.900 0.223 0.000 1.294 200 Y CA 1.184 59.349 58.100 0.109 0.000 1.622 200 Y CB -0.098 38.276 38.460 -0.143 0.000 1.201 200 Y HN 0.471 nan 8.280 nan 0.000 0.546 201 K N 3.545 123.863 120.400 -0.136 0.000 2.914 201 K HA -0.343 3.977 4.320 -0.000 0.000 0.253 201 K C -0.075 176.513 176.600 -0.019 0.000 0.986 201 K CA 1.550 57.740 56.287 -0.161 0.000 0.730 201 K CB -0.632 31.643 32.500 -0.376 0.000 1.228 201 K HN 0.868 nan 8.250 nan 0.000 0.483 202 Q N -0.507 119.328 119.800 0.058 0.000 2.341 202 Q HA 0.209 4.549 4.340 -0.000 0.000 0.325 202 Q C 0.812 176.813 176.000 0.001 0.000 0.920 202 Q CA 0.391 56.204 55.803 0.016 0.000 1.065 202 Q CB 1.019 29.767 28.738 0.016 0.000 1.218 202 Q HN 0.510 nan 8.270 nan 0.000 0.434 203 G N -0.599 108.194 108.800 -0.012 0.000 2.143 203 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.249 203 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.249 203 G C 0.337 175.222 174.900 -0.024 0.000 0.981 203 G CA -0.214 44.873 45.100 -0.022 0.000 0.665 203 G HN 0.569 nan 8.290 nan 0.000 0.528 204 G N -1.155 107.642 108.800 -0.005 0.000 2.557 204 G HA2 0.599 4.559 3.960 -0.000 0.000 0.302 204 G HA3 0.599 4.559 3.960 -0.000 0.000 0.302 204 G C -0.064 174.809 174.900 -0.045 0.000 1.311 204 G CA -0.182 44.907 45.100 -0.018 0.000 1.030 204 G HN 0.435 nan 8.290 nan 0.000 0.509 205 Q N -0.189 119.536 119.800 -0.124 0.000 2.340 205 Q HA 0.288 4.628 4.340 -0.000 0.000 0.249 205 Q C 0.114 176.163 176.000 0.083 0.000 0.957 205 Q CA -0.188 55.534 55.803 -0.135 0.000 0.882 205 Q CB 0.748 29.210 28.738 -0.461 0.000 1.235 205 Q HN 0.203 nan 8.270 nan 0.000 0.439 206 K N 2.212 122.658 120.400 0.075 0.000 2.258 206 K HA 0.297 4.617 4.320 -0.000 0.000 0.264 206 K C -0.380 176.367 176.600 0.244 0.000 1.007 206 K CA -0.068 56.292 56.287 0.122 0.000 0.941 206 K CB 0.318 32.839 32.500 0.035 0.000 0.966 206 K HN 0.605 nan 8.250 nan 0.000 0.480 207 L N 2.654 124.047 121.223 0.283 0.000 2.331 207 L HA 0.503 4.843 4.340 -0.000 0.000 0.275 207 L C -0.255 176.862 176.870 0.412 0.000 1.022 207 L CA -1.280 53.786 54.840 0.376 0.000 0.812 207 L CB 0.895 43.217 42.059 0.438 0.000 1.257 207 L HN 0.379 nan 8.230 nan 0.000 0.435 208 L N -0.544 120.930 121.223 0.418 0.000 2.341 208 L HA 0.842 5.182 4.340 -0.000 0.000 0.254 208 L C -0.154 176.963 176.870 0.411 0.000 1.040 208 L CA -0.614 54.480 54.840 0.423 0.000 0.837 208 L CB 1.455 43.682 42.059 0.281 0.000 1.425 208 L HN 0.559 nan 8.230 nan 0.000 0.414 209 T N -1.133 113.629 114.554 0.347 0.000 2.859 209 T HA 0.778 5.128 4.350 -0.000 0.000 0.281 209 T C -0.175 174.681 174.700 0.260 0.000 1.005 209 T CA -0.639 61.645 62.100 0.306 0.000 1.025 209 T CB 1.194 70.182 68.868 0.201 0.000 0.977 209 T HN 0.556 nan 8.240 nan 0.000 0.458 210 M N 3.151 122.925 119.600 0.290 0.000 2.181 210 M HA 0.401 4.881 4.480 -0.000 0.000 0.323 210 M C -0.122 176.249 176.300 0.118 0.000 1.004 210 M CA -0.747 54.598 55.300 0.074 0.000 0.941 210 M CB 1.384 33.876 32.600 -0.180 0.000 1.579 210 M HN 0.854 nan 8.290 nan 0.000 0.427 211 N N 1.682 120.383 118.700 0.001 0.000 2.399 211 N HA 0.459 5.199 4.740 -0.000 0.000 0.250 211 N C -0.807 174.633 175.510 -0.117 0.000 1.272 211 N CA 0.190 53.166 53.050 -0.123 0.000 0.928 211 N CB 0.890 39.335 38.487 -0.070 0.000 1.158 211 N HN 0.726 nan 8.380 nan 0.000 0.463 212 S N -0.398 115.235 115.700 -0.111 0.000 2.625 212 S HA 0.882 5.351 4.470 -0.000 0.000 0.271 212 S C -1.568 173.100 174.600 0.113 0.000 1.161 212 S CA -0.697 57.507 58.200 0.006 0.000 0.820 212 S CB 1.183 64.328 63.200 -0.091 0.000 1.137 212 S HN 0.867 nan 8.310 nan 0.000 0.470 213 A N 0.728 123.615 122.820 0.110 0.000 2.604 213 A HA 0.918 5.238 4.320 -0.000 0.000 0.295 213 A C -3.377 174.199 177.584 -0.014 0.000 1.067 213 A CA -1.603 50.528 52.037 0.156 0.000 0.683 213 A CB 0.918 20.155 19.000 0.396 0.000 1.281 213 A HN 0.578 nan 8.150 nan 0.000 0.407 214 P HA 0.404 nan 4.420 nan 0.000 0.282 214 P C -0.676 176.733 177.300 0.182 0.000 1.286 214 P CA -0.211 62.925 63.100 0.058 0.000 0.777 214 P CB 0.360 31.979 31.700 -0.135 0.000 1.184 215 R N 0.254 120.900 120.500 0.244 0.000 3.057 215 R HA 0.660 5.000 4.340 -0.000 0.000 0.291 215 R C 0.216 176.622 176.300 0.176 0.000 1.394 215 R CA -0.358 55.850 56.100 0.181 0.000 1.630 215 R CB 0.209 30.567 30.300 0.098 0.000 1.268 215 R HN 0.787 nan 8.270 nan 0.000 0.621 216 G N -0.505 108.440 108.800 0.242 0.000 2.340 216 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.282 216 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.282 216 G C -0.244 174.686 174.900 0.050 0.000 1.312 216 G CA -0.297 44.839 45.100 0.059 0.000 0.942 216 G HN 0.218 nan 8.290 nan 0.000 0.495 217 V N -2.480 117.243 119.914 -0.317 0.000 3.432 217 V HA 0.593 4.713 4.120 -0.000 0.000 0.298 217 V C 0.129 175.599 176.094 -1.039 0.000 1.464 217 V CA 1.422 63.511 62.300 -0.350 0.000 1.046 217 V CB -0.171 31.552 31.823 -0.166 0.000 0.887 217 V HN 1.414 nan 8.190 nan 0.000 0.441 218 Q N -1.101 117.688 119.800 -1.684 0.000 2.687 218 Q HA 0.475 4.815 4.340 -0.000 0.000 0.295 218 Q C -1.283 173.958 176.000 -1.264 0.000 0.920 218 Q CA -0.632 54.204 55.803 -1.611 0.000 0.766 218 Q CB 1.257 29.564 28.738 -0.719 0.000 1.467 218 Q HN 0.052 nan 8.270 nan 0.000 0.415 219 S N -0.147 115.232 115.700 -0.535 0.000 2.525 219 S HA 0.451 4.921 4.470 -0.000 0.000 0.285 219 S C 0.871 175.210 174.600 -0.434 0.000 1.283 219 S CA 1.088 59.196 58.200 -0.153 0.000 1.072 219 S CB 0.262 63.494 63.200 0.053 0.000 0.867 219 S HN 1.059 nan 8.310 nan 0.000 0.492 220 G N 3.270 111.580 108.800 -0.816 0.000 2.211 220 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.201 220 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.201 220 G C -0.487 173.962 174.900 -0.751 0.000 0.997 220 G CA -0.544 43.764 45.100 -1.320 0.000 0.652 220 G HN 0.609 nan 8.290 nan 0.000 0.500 221 D N 0.046 120.161 120.400 -0.476 0.000 2.302 221 D HA 0.588 5.228 4.640 -0.000 0.000 0.248 221 D C 0.762 176.956 176.300 -0.177 0.000 1.094 221 D CA -0.038 53.789 54.000 -0.290 0.000 0.897 221 D CB 1.201 41.831 40.800 -0.284 0.000 1.200 221 D HN 0.342 nan 8.370 nan 0.000 0.429 222 R N 0.859 121.231 120.500 -0.214 0.000 2.674 222 R HA 0.268 4.608 4.340 -0.000 0.000 0.270 222 R C -1.297 174.732 176.300 -0.453 0.000 1.492 222 R CA -0.359 55.548 56.100 -0.321 0.000 1.624 222 R CB 0.005 30.072 30.300 -0.389 0.000 1.307 222 R HN 0.175 nan 8.270 nan 0.000 0.683 223 S N 0.801 116.371 115.700 -0.216 0.000 2.640 223 S HA 0.367 4.837 4.470 -0.000 0.000 0.320 223 S C -0.690 173.888 174.600 -0.037 0.000 1.097 223 S CA -0.487 57.631 58.200 -0.137 0.000 1.092 223 S CB 1.955 65.071 63.200 -0.140 0.000 0.988 223 S HN 0.267 nan 8.310 nan 0.000 0.470 224 T N 2.514 117.115 114.554 0.078 0.000 2.824 224 T HA 0.357 4.707 4.350 -0.000 0.000 0.280 224 T C -0.723 173.885 174.700 -0.153 0.000 0.995 224 T CA -0.492 61.600 62.100 -0.014 0.000 1.009 224 T CB 0.539 69.352 68.868 -0.092 0.000 0.955 224 T HN 0.557 nan 8.240 nan 0.000 0.452 225 W N 3.026 124.244 121.300 -0.137 0.000 2.481 225 W HA 0.472 5.132 4.660 0.000 0.000 0.320 225 W C -0.648 175.751 176.519 -0.200 0.000 1.209 225 W CA -0.781 56.517 57.345 -0.078 0.000 1.400 225 W CB -0.022 29.402 29.460 -0.060 0.000 1.361 225 W HN 0.519 nan 8.180 nan 0.000 0.456 226 F N 2.784 122.873 119.950 0.230 0.000 2.404 226 F HA 0.508 5.035 4.527 -0.000 0.000 0.354 226 F C 1.100 177.024 175.800 0.206 0.000 1.122 226 F CA -0.741 57.365 58.000 0.177 0.000 1.080 226 F CB 0.918 39.973 39.000 0.092 0.000 1.131 226 F HN 0.291 nan 8.300 nan 0.000 0.471 227 G N 4.117 113.151 108.800 0.390 0.000 2.420 227 G HA2 0.526 4.485 3.960 -0.000 0.000 0.284 227 G HA3 0.526 4.485 3.960 -0.000 0.000 0.284 227 G C -0.696 174.442 174.900 0.398 0.000 1.177 227 G CA -0.539 44.778 45.100 0.362 0.000 0.841 227 G HN 0.417 nan 8.290 nan 0.000 0.527 228 I N 1.542 122.200 120.570 0.147 0.000 2.321 228 I HA 0.350 4.520 4.170 -0.000 0.000 0.291 228 I C -0.766 175.344 176.117 -0.012 0.000 0.998 228 I CA -0.835 60.546 61.300 0.136 0.000 1.227 228 I CB 0.614 38.622 38.000 0.012 0.000 1.368 228 I HN 0.397 nan 8.210 nan 0.000 0.466 229 Y N 4.561 124.931 120.300 0.116 0.000 2.499 229 Y HA 0.407 4.957 4.550 -0.000 0.000 0.347 229 Y C -0.160 175.838 175.900 0.165 0.000 0.987 229 Y CA -1.080 57.097 58.100 0.128 0.000 1.044 229 Y CB 1.699 40.290 38.460 0.218 0.000 1.245 229 Y HN 0.287 nan 8.280 nan 0.000 0.461 230 Y N 1.804 122.273 120.300 0.282 0.000 2.610 230 Y HA -0.059 4.490 4.550 -0.000 0.000 0.332 230 Y C 0.782 176.766 175.900 0.141 0.000 1.201 230 Y CA -0.251 57.943 58.100 0.157 0.000 1.465 230 Y CB 0.265 38.747 38.460 0.036 0.000 1.283 230 Y HN 0.494 nan 8.280 nan 0.000 0.563 231 N N 4.876 123.734 118.700 0.263 0.000 3.105 231 N HA 0.091 4.831 4.740 -0.000 0.000 0.256 231 N C 0.883 176.403 175.510 0.016 0.000 1.174 231 N CA 0.050 53.175 53.050 0.125 0.000 1.030 231 N CB -0.108 38.443 38.487 0.108 0.000 1.305 231 N HN 0.595 nan 8.380 nan 0.000 0.509 232 I N 0.876 121.417 120.570 -0.049 0.000 2.163 232 I HA -0.256 3.914 4.170 -0.000 0.000 0.243 232 I C 0.944 177.014 176.117 -0.079 0.000 1.085 232 I CA 1.319 62.538 61.300 -0.136 0.000 1.347 232 I CB -0.772 37.105 38.000 -0.205 0.000 1.044 232 I HN 0.474 nan 8.210 nan 0.000 0.408 233 T N -0.669 113.850 114.554 -0.059 0.000 5.983 233 T HA -0.182 4.168 4.350 -0.000 0.000 0.274 233 T C 0.506 175.180 174.700 -0.043 0.000 2.195 233 T CA 1.258 63.332 62.100 -0.043 0.000 3.709 233 T CB -0.918 67.930 68.868 -0.033 0.000 0.873 233 T HN 0.513 nan 8.240 nan 0.000 1.045 234 K N 1.693 122.059 120.400 -0.056 0.000 2.130 234 K HA 0.512 4.832 4.320 -0.000 0.000 0.268 234 K C 1.453 178.006 176.600 -0.079 0.000 0.983 234 K CA 0.389 56.648 56.287 -0.048 0.000 0.893 234 K CB 1.211 33.687 32.500 -0.041 0.000 1.066 234 K HN 0.288 nan 8.250 nan 0.000 0.450 235 G N 3.011 111.765 108.800 -0.076 0.000 2.684 235 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.332 235 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.332 235 G C 0.290 174.876 174.900 -0.524 0.000 1.306 235 G CA 0.141 45.130 45.100 -0.186 0.000 1.002 235 G HN 0.934 nan 8.290 nan 0.000 0.545 236 G N 0.373 108.716 108.800 -0.762 0.000 2.372 236 G HA2 0.527 4.487 3.960 -0.000 0.000 0.286 236 G HA3 0.527 4.487 3.960 -0.000 0.000 0.286 236 G C -1.140 173.459 174.900 -0.501 0.000 1.153 236 G CA 0.091 44.594 45.100 -0.995 0.000 0.985 236 G HN 0.486 nan 8.290 nan 0.000 0.429 237 P HA 0.038 nan 4.420 nan 0.000 0.245 237 P C -0.055 177.062 177.300 -0.306 0.000 1.212 237 P CA 0.549 63.376 63.100 -0.456 0.000 0.774 237 P CB 0.184 31.544 31.700 -0.567 0.000 0.999 238 Y N -2.534 117.790 120.300 0.041 0.000 2.660 238 Y HA 0.316 4.866 4.550 -0.000 0.000 0.254 238 Y C 1.293 177.268 175.900 0.125 0.000 1.176 238 Y CA -0.498 57.601 58.100 -0.001 0.000 1.195 238 Y CB -0.549 37.798 38.460 -0.189 0.000 1.190 238 Y HN -0.222 nan 8.280 nan 0.000 0.535 239 L N -0.240 121.025 121.223 0.071 0.000 2.592 239 L HA 0.124 4.464 4.340 -0.000 0.000 0.227 239 L C -0.190 176.485 176.870 -0.325 0.000 1.127 239 L CA 0.524 55.268 54.840 -0.159 0.000 0.884 239 L CB -0.664 41.169 42.059 -0.376 0.000 1.065 239 L HN 0.259 nan 8.230 nan 0.000 0.457 240 H N -0.946 118.293 119.070 0.282 0.000 2.336 240 H HA 0.292 4.848 4.556 -0.000 0.000 0.230 240 H C -2.348 173.071 175.328 0.152 0.000 1.426 240 H CA -2.069 54.135 56.048 0.260 0.000 1.359 240 H CB -0.023 29.952 29.762 0.355 0.000 1.555 240 H HN -0.045 nan 8.280 nan 0.000 0.512 241 P HA -0.025 nan 4.420 nan 0.000 0.276 241 P C 0.791 177.959 177.300 -0.221 0.000 1.235 241 P CA -0.052 62.795 63.100 -0.422 0.000 0.772 241 P CB 2.358 33.915 31.700 -0.238 0.000 0.871 242 V N 2.421 122.101 119.914 -0.389 0.000 3.052 242 V HA 0.106 4.226 4.120 -0.000 0.000 0.254 242 V C 1.869 177.640 176.094 -0.539 0.000 1.100 242 V CA 1.722 63.794 62.300 -0.379 0.000 1.112 242 V CB -1.155 30.442 31.823 -0.377 0.000 0.738 242 V HN 0.963 nan 8.190 nan 0.000 0.469 243 G N 0.398 108.914 108.800 -0.472 0.000 2.141 243 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.231 243 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.231 243 G C -0.243 174.386 174.900 -0.452 0.000 0.984 243 G CA 0.210 44.910 45.100 -0.667 0.000 0.660 243 G HN 0.402 nan 8.290 nan 0.000 0.525 244 L N 1.180 122.284 121.223 -0.200 0.000 2.305 244 L HA 0.802 5.142 4.340 -0.000 0.000 0.284 244 L C -0.292 176.650 176.870 0.120 0.000 1.013 244 L CA -0.857 53.998 54.840 0.024 0.000 0.819 244 L CB 1.074 43.157 42.059 0.040 0.000 1.227 244 L HN 0.222 nan 8.230 nan 0.000 0.417 245 E N 6.021 126.393 120.200 0.286 0.000 2.256 245 E HA 0.488 4.838 4.350 -0.000 0.000 0.268 245 E C -1.449 175.425 176.600 0.458 0.000 0.877 245 E CA -0.725 55.918 56.400 0.404 0.000 0.757 245 E CB 2.430 32.413 29.700 0.472 0.000 1.183 245 E HN 0.513 nan 8.360 nan 0.000 0.418 246 L N 3.068 124.473 121.223 0.303 0.000 2.313 246 L HA 0.416 4.756 4.340 -0.000 0.000 0.283 246 L C -0.119 176.667 176.870 -0.141 0.000 1.013 246 L CA -0.752 54.137 54.840 0.081 0.000 0.816 246 L CB 1.385 43.468 42.059 0.040 0.000 1.236 246 L HN 0.414 nan 8.230 nan 0.000 0.419 247 L N 5.370 126.227 121.223 -0.609 0.000 2.375 247 L HA 0.268 4.608 4.340 -0.000 0.000 0.276 247 L C -0.116 176.549 176.870 -0.342 0.000 1.162 247 L CA -0.287 54.000 54.840 -0.921 0.000 0.991 247 L CB 0.964 42.189 42.059 -1.390 0.000 1.315 247 L HN 0.476 nan 8.230 nan 0.000 0.431 248 V N 3.798 123.660 119.914 -0.086 0.000 2.498 248 V HA 0.255 4.375 4.120 -0.000 0.000 0.279 248 V C -0.241 175.903 176.094 0.085 0.000 1.048 248 V CA -0.470 61.855 62.300 0.043 0.000 0.967 248 V CB 1.704 33.594 31.823 0.113 0.000 0.988 248 V HN 0.663 nan 8.190 nan 0.000 0.473 249 D N 4.519 124.925 120.400 0.010 0.000 2.479 249 D HA 0.274 4.914 4.640 -0.000 0.000 0.218 249 D C 0.512 176.702 176.300 -0.183 0.000 1.131 249 D CA -0.160 53.797 54.000 -0.071 0.000 0.916 249 D CB 0.101 40.870 40.800 -0.051 0.000 1.022 249 D HN 0.892 nan 8.370 nan 0.000 0.515 250 H N 1.258 119.994 119.070 -0.556 0.000 2.550 250 H HA 0.265 4.821 4.556 -0.000 0.000 0.304 250 H C 1.474 176.383 175.328 -0.697 0.000 1.086 250 H CA -0.571 54.626 56.048 -1.418 0.000 1.089 250 H CB 0.593 29.323 29.762 -1.721 0.000 1.528 250 H HN 0.214 nan 8.280 nan 0.000 0.539 251 K N 1.350 121.529 120.400 -0.368 0.000 2.031 251 K HA 0.078 4.398 4.320 -0.000 0.000 0.205 251 K C 1.087 177.772 176.600 0.142 0.000 1.049 251 K CA 0.677 56.888 56.287 -0.127 0.000 0.939 251 K CB -0.097 32.345 32.500 -0.097 0.000 0.717 251 K HN 0.374 nan 8.250 nan 0.000 0.438 252 A N 0.961 123.948 122.820 0.279 0.000 2.547 252 A HA 0.029 4.349 4.320 -0.000 0.000 0.233 252 A C 0.842 178.697 177.584 0.451 0.000 1.067 252 A CA -0.171 52.073 52.037 0.345 0.000 0.763 252 A CB 0.157 19.352 19.000 0.326 0.000 1.007 252 A HN 0.369 nan 8.150 nan 0.000 0.506 253 L N 0.456 121.846 121.223 0.279 0.000 2.291 253 L HA 0.035 4.375 4.340 -0.000 0.000 0.214 253 L C 0.774 177.732 176.870 0.148 0.000 1.120 253 L CA 1.431 56.419 54.840 0.246 0.000 0.799 253 L CB -0.617 41.536 42.059 0.157 0.000 0.925 253 L HN 0.742 nan 8.230 nan 0.000 0.446 254 D N -0.982 119.454 120.400 0.060 0.000 2.373 254 D HA 0.173 4.813 4.640 -0.000 0.000 0.227 254 D C -1.758 174.289 176.300 -0.421 0.000 1.091 254 D CA -2.307 51.627 54.000 -0.110 0.000 0.840 254 D CB 1.822 42.583 40.800 -0.066 0.000 1.060 254 D HN -0.098 nan 8.370 nan 0.000 0.502 255 P HA -0.125 nan 4.420 nan 0.000 0.217 255 P C 0.924 177.643 177.300 -0.968 0.000 1.148 255 P CA 1.119 63.159 63.100 -1.766 0.000 0.828 255 P CB 0.231 31.201 31.700 -1.215 0.000 0.783 256 A N -0.394 122.150 122.820 -0.459 0.000 2.125 256 A HA -0.163 4.157 4.320 -0.000 0.000 0.219 256 A C 1.571 179.085 177.584 -0.116 0.000 1.156 256 A CA 1.632 53.540 52.037 -0.216 0.000 0.671 256 A CB -0.971 17.950 19.000 -0.133 0.000 0.794 256 A HN 0.107 nan 8.150 nan 0.000 0.459 257 D N -1.586 118.742 120.400 -0.120 0.000 2.339 257 D HA 0.025 4.665 4.640 -0.000 0.000 0.217 257 D C -0.174 176.245 176.300 0.198 0.000 1.050 257 D CA -0.173 53.848 54.000 0.036 0.000 0.856 257 D CB -0.088 40.745 40.800 0.055 0.000 0.922 257 D HN 0.463 nan 8.370 nan 0.000 0.518 258 W N 2.470 123.798 121.300 0.047 0.000 2.181 258 W HA 0.238 4.898 4.660 -0.000 0.000 0.335 258 W C 1.102 177.642 176.519 0.034 0.000 1.310 258 W CA -0.490 56.889 57.345 0.057 0.000 1.226 258 W CB -0.078 29.433 29.460 0.084 0.000 1.155 258 W HN -0.232 nan 8.180 nan 0.000 0.565 259 T N -1.217 113.482 114.554 0.242 0.000 2.896 259 T HA 0.609 4.959 4.350 -0.000 0.000 0.297 259 T C -0.715 174.022 174.700 0.061 0.000 1.108 259 T CA -1.070 61.102 62.100 0.120 0.000 1.004 259 T CB 1.562 70.477 68.868 0.077 0.000 1.159 259 T HN 0.418 nan 8.240 nan 0.000 0.499 260 V N 0.934 120.862 119.914 0.023 0.000 2.407 260 V HA 0.493 4.613 4.120 -0.000 0.000 0.278 260 V C 0.585 176.654 176.094 -0.041 0.000 1.037 260 V CA -0.498 61.785 62.300 -0.029 0.000 0.900 260 V CB 1.268 33.069 31.823 -0.035 0.000 0.983 260 V HN 0.889 nan 8.190 nan 0.000 0.459 261 Q N 2.699 122.446 119.800 -0.089 0.000 2.391 261 Q HA 0.308 4.648 4.340 -0.000 0.000 0.211 261 Q C 0.412 176.389 176.000 -0.038 0.000 0.908 261 Q CA 0.659 56.423 55.803 -0.064 0.000 0.920 261 Q CB 0.788 29.475 28.738 -0.084 0.000 1.056 261 Q HN 0.919 nan 8.270 nan 0.000 0.523 262 K N -0.568 119.785 120.400 -0.077 0.000 2.610 262 K HA 0.378 4.698 4.320 -0.000 0.000 0.278 262 K C -1.923 174.723 176.600 0.077 0.000 0.964 262 K CA -0.503 55.820 56.287 0.061 0.000 0.859 262 K CB 2.188 34.801 32.500 0.188 0.000 1.434 262 K HN -0.101 nan 8.250 nan 0.000 0.410 263 V N 3.397 123.479 119.914 0.280 0.000 2.735 263 V HA 0.719 4.839 4.120 -0.000 0.000 0.310 263 V C -1.761 174.636 176.094 0.505 0.000 1.061 263 V CA -0.582 61.922 62.300 0.340 0.000 0.913 263 V CB 1.428 33.351 31.823 0.167 0.000 1.005 263 V HN 0.706 nan 8.190 nan 0.000 0.428 264 F N 7.417 127.559 119.950 0.320 0.000 2.375 264 F HA 0.645 5.172 4.527 -0.000 0.000 0.361 264 F C -1.263 174.539 175.800 0.003 0.000 1.117 264 F CA -1.099 56.879 58.000 -0.038 0.000 1.037 264 F CB 1.305 40.115 39.000 -0.316 0.000 1.192 264 F HN 0.596 nan 8.300 nan 0.000 0.452 265 F N 6.890 126.451 119.950 -0.649 0.000 2.325 265 F HA 0.301 4.828 4.527 0.000 0.000 0.369 265 F C 0.255 175.461 175.800 -0.990 0.000 1.095 265 F CA -0.352 57.244 58.000 -0.673 0.000 1.082 265 F CB 0.572 39.319 39.000 -0.422 0.000 1.289 265 F HN 0.702 nan 8.300 nan 0.000 0.462 266 Q N 4.319 123.086 119.800 -1.722 0.000 2.453 266 Q HA -0.259 4.081 4.340 -0.000 0.000 0.294 266 Q C 0.995 176.229 176.000 -1.277 0.000 1.295 266 Q CA 0.974 55.812 55.803 -1.608 0.000 0.853 266 Q CB -1.571 26.099 28.738 -1.781 0.000 1.193 266 Q HN 1.267 nan 8.270 nan 0.000 0.461 267 G N -1.094 106.578 108.800 -1.879 0.000 2.307 267 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.210 267 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.210 267 G C 0.056 174.507 174.900 -0.747 0.000 1.005 267 G CA -0.039 44.097 45.100 -1.606 0.000 0.634 267 G HN 0.226 nan 8.290 nan 0.000 0.496 268 R N -0.244 119.809 120.500 -0.746 0.000 2.604 268 R HA 0.742 5.082 4.340 -0.000 0.000 0.287 268 R C -0.940 175.082 176.300 -0.464 0.000 0.970 268 R CA -0.529 55.330 56.100 -0.402 0.000 0.946 268 R CB 0.688 30.814 30.300 -0.290 0.000 1.127 268 R HN 0.231 nan 8.270 nan 0.000 0.473 269 Y N 1.469 121.615 120.300 -0.257 0.000 2.361 269 Y HA 0.431 4.981 4.550 -0.000 0.000 0.332 269 Y C -0.518 175.175 175.900 -0.344 0.000 1.101 269 Y CA -0.107 57.955 58.100 -0.064 0.000 1.137 269 Y CB 1.137 39.645 38.460 0.081 0.000 1.207 269 Y HN 0.437 nan 8.280 nan 0.000 0.463 270 Y N -0.150 120.284 120.300 0.223 0.000 2.576 270 Y HA 0.272 4.822 4.550 -0.000 0.000 0.346 270 Y C 0.967 176.941 175.900 0.125 0.000 1.018 270 Y CA -1.174 57.000 58.100 0.124 0.000 1.050 270 Y CB 1.564 40.048 38.460 0.041 0.000 1.280 270 Y HN 0.491 nan 8.280 nan 0.000 0.474 271 E N 1.329 121.668 120.200 0.231 0.000 2.028 271 E HA -0.076 4.274 4.350 -0.000 0.000 0.190 271 E C -0.460 176.205 176.600 0.109 0.000 0.984 271 E CA 1.479 57.962 56.400 0.139 0.000 0.800 271 E CB 0.085 29.841 29.700 0.093 0.000 0.758 271 E HN 0.785 nan 8.360 nan 0.000 0.448 272 N N -2.412 116.344 118.700 0.094 0.000 2.697 272 N HA 0.237 4.977 4.740 -0.000 0.000 0.272 272 N C 0.148 175.646 175.510 -0.020 0.000 1.381 272 N CA -0.592 52.477 53.050 0.032 0.000 0.797 272 N CB 0.364 38.858 38.487 0.010 0.000 1.523 272 N HN -0.087 nan 8.380 nan 0.000 0.518 273 L N -0.536 120.643 121.223 -0.074 0.000 2.109 273 L HA 0.024 4.364 4.340 -0.000 0.000 0.207 273 L C 2.362 179.128 176.870 -0.173 0.000 1.086 273 L CA 1.490 56.232 54.840 -0.163 0.000 0.760 273 L CB -0.617 41.339 42.059 -0.171 0.000 0.910 273 L HN 0.844 nan 8.230 nan 0.000 0.437 274 A N -0.013 122.744 122.820 -0.105 0.000 1.883 274 A HA -0.327 3.993 4.320 -0.000 0.000 0.217 274 A C 2.255 179.791 177.584 -0.079 0.000 1.186 274 A CA 2.161 54.148 52.037 -0.084 0.000 0.624 274 A CB -0.687 18.286 19.000 -0.045 0.000 0.822 274 A HN 0.536 nan 8.150 nan 0.000 0.444 275 Q N -0.776 118.994 119.800 -0.050 0.000 2.096 275 Q HA -0.198 4.142 4.340 -0.000 0.000 0.204 275 Q C 1.962 177.913 176.000 -0.082 0.000 0.982 275 Q CA 1.863 57.660 55.803 -0.011 0.000 0.850 275 Q CB -0.338 28.443 28.738 0.071 0.000 0.901 275 Q HN 0.535 nan 8.270 nan 0.000 0.422 276 L N 1.146 122.210 121.223 -0.265 0.000 2.012 276 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 276 L C 2.237 178.877 176.870 -0.384 0.000 1.073 276 L CA 2.486 56.950 54.840 -0.626 0.000 0.748 276 L CB -0.729 40.802 42.059 -0.879 0.000 0.891 276 L HN 0.318 nan 8.230 nan 0.000 0.431 277 E N 0.110 120.147 120.200 -0.273 0.000 2.051 277 E HA -0.231 4.119 4.350 -0.000 0.000 0.192 277 E C 2.038 178.623 176.600 -0.026 0.000 0.991 277 E CA 1.862 58.180 56.400 -0.138 0.000 0.799 277 E CB -0.248 29.375 29.700 -0.129 0.000 0.748 277 E HN 0.654 nan 8.360 nan 0.000 0.449 278 E N -0.012 120.160 120.200 -0.046 0.000 2.049 278 E HA -0.249 4.101 4.350 -0.000 0.000 0.198 278 E C 2.261 178.854 176.600 -0.010 0.000 1.007 278 E CA 1.338 57.725 56.400 -0.021 0.000 0.809 278 E CB -0.175 29.517 29.700 -0.014 0.000 0.749 278 E HN 0.325 nan 8.360 nan 0.000 0.450 279 Q N -0.170 119.633 119.800 0.005 0.000 2.096 279 Q HA -0.193 4.147 4.340 -0.000 0.000 0.204 279 Q C 2.128 178.149 176.000 0.036 0.000 0.982 279 Q CA 1.200 57.029 55.803 0.043 0.000 0.850 279 Q CB -0.292 28.520 28.738 0.124 0.000 0.901 279 Q HN 0.293 nan 8.270 nan 0.000 0.422 280 F N 2.228 122.095 119.950 -0.138 0.000 2.113 280 F HA -0.137 4.390 4.527 -0.000 0.000 0.297 280 F C 2.029 177.757 175.800 -0.120 0.000 1.103 280 F CA 1.294 59.202 58.000 -0.154 0.000 1.248 280 F CB -0.076 38.778 39.000 -0.242 0.000 0.999 280 F HN 0.013 nan 8.300 nan 0.000 0.475 281 E N 0.583 120.631 120.200 -0.254 0.000 2.160 281 E HA -0.191 4.159 4.350 -0.000 0.000 0.195 281 E C 2.205 178.647 176.600 -0.262 0.000 0.991 281 E CA 1.183 57.395 56.400 -0.314 0.000 0.810 281 E CB -0.690 28.939 29.700 -0.118 0.000 0.742 281 E HN 0.497 nan 8.360 nan 0.000 0.466 282 A N 0.500 123.220 122.820 -0.167 0.000 2.235 282 A HA 0.234 4.554 4.320 -0.000 0.000 0.208 282 A C 1.720 179.224 177.584 -0.132 0.000 1.172 282 A CA 0.937 52.904 52.037 -0.116 0.000 0.786 282 A CB -0.374 18.592 19.000 -0.058 0.000 0.804 282 A HN 0.311 nan 8.150 nan 0.000 0.479 283 G N -1.026 107.645 108.800 -0.214 0.000 2.147 283 G HA2 -0.292 3.667 3.960 -0.000 0.000 0.244 283 G HA3 -0.292 3.667 3.960 -0.000 0.000 0.244 283 G C 0.358 175.214 174.900 -0.074 0.000 1.005 283 G CA 0.532 45.520 45.100 -0.187 0.000 0.713 283 G HN 0.619 nan 8.290 nan 0.000 0.515 284 Q N -0.858 118.922 119.800 -0.033 0.000 2.212 284 Q HA 0.451 4.791 4.340 -0.000 0.000 0.213 284 Q C 0.025 176.079 176.000 0.091 0.000 0.874 284 Q CA 0.116 55.937 55.803 0.030 0.000 0.965 284 Q CB 1.267 30.028 28.738 0.038 0.000 1.074 284 Q HN 0.367 nan 8.270 nan 0.000 0.473 285 V N 1.179 121.160 119.914 0.113 0.000 2.612 285 V HA 0.177 4.297 4.120 -0.000 0.000 0.301 285 V C -0.852 175.365 176.094 0.206 0.000 1.059 285 V CA -1.109 61.308 62.300 0.194 0.000 0.886 285 V CB 1.928 33.894 31.823 0.238 0.000 1.007 285 V HN 0.226 nan 8.190 nan 0.000 0.426 286 N N 3.502 122.302 118.700 0.166 0.000 2.472 286 N HA 0.520 5.260 4.740 -0.000 0.000 0.277 286 N C -1.031 174.586 175.510 0.179 0.000 1.081 286 N CA -0.193 52.951 53.050 0.156 0.000 0.973 286 N CB 1.436 39.990 38.487 0.111 0.000 1.105 286 N HN 0.422 nan 8.380 nan 0.000 0.470 287 V N 4.059 124.101 119.914 0.215 0.000 2.409 287 V HA 0.260 4.380 4.120 -0.000 0.000 0.291 287 V C -0.282 175.903 176.094 0.153 0.000 1.020 287 V CA -0.919 61.512 62.300 0.219 0.000 0.848 287 V CB 1.601 33.607 31.823 0.305 0.000 0.990 287 V HN 0.459 nan 8.190 nan 0.000 0.430 288 V N 6.401 126.316 119.914 0.002 0.000 2.387 288 V HA 0.133 4.253 4.120 -0.000 0.000 0.260 288 V C 0.442 176.480 176.094 -0.092 0.000 1.054 288 V CA -0.253 62.015 62.300 -0.053 0.000 0.967 288 V CB 1.402 33.175 31.823 -0.082 0.000 1.036 288 V HN 0.758 nan 8.190 nan 0.000 0.481 289 V N 6.067 125.954 119.914 -0.046 0.000 2.585 289 V HA 0.353 4.473 4.120 -0.000 0.000 0.296 289 V C 0.031 176.125 176.094 -0.001 0.000 1.035 289 V CA -0.165 62.112 62.300 -0.039 0.000 1.084 289 V CB 0.661 32.435 31.823 -0.081 0.000 0.953 289 V HN 0.541 nan 8.190 nan 0.000 0.483 290 I N 6.641 127.259 120.570 0.080 0.000 2.336 290 I HA 0.432 4.602 4.170 -0.000 0.000 0.292 290 I C -2.037 174.303 176.117 0.371 0.000 0.991 290 I CA -2.502 58.927 61.300 0.215 0.000 1.227 290 I CB 0.924 39.012 38.000 0.146 0.000 1.366 290 I HN 0.519 nan 8.210 nan 0.000 0.466 291 P HA -0.049 nan 4.420 nan 0.000 0.261 291 P C -0.175 177.154 177.300 0.049 0.000 1.165 291 P CA 0.522 63.731 63.100 0.183 0.000 0.759 291 P CB 0.312 32.132 31.700 0.200 0.000 0.772 322 F N 1.110 121.081 119.950 0.035 0.000 2.613 322 F HA 0.880 5.407 4.527 -0.000 0.000 0.314 322 F C -0.861 174.950 175.800 0.018 0.000 1.075 322 F CA -0.302 57.711 58.000 0.022 0.000 0.945 322 F CB 2.082 41.097 39.000 0.026 0.000 1.310 322 F HN 0.185 nan 8.300 nan 0.000 0.467 323 S N 1.618 117.269 115.700 -0.082 0.000 2.688 323 S HA 0.831 5.301 4.470 -0.000 0.000 0.275 323 S C -1.854 172.765 174.600 0.031 0.000 1.175 323 S CA -0.389 57.710 58.200 -0.168 0.000 0.818 323 S CB 1.386 64.517 63.200 -0.114 0.000 1.157 323 S HN 1.970 nan 8.310 nan 0.000 0.482 324 V N 1.100 121.036 119.914 0.037 0.000 2.612 324 V HA 0.570 4.690 4.120 -0.000 0.000 0.301 324 V C -1.817 174.335 176.094 0.097 0.000 1.059 324 V CA -0.288 62.075 62.300 0.104 0.000 0.886 324 V CB 1.667 33.605 31.823 0.193 0.000 1.007 324 V HN 0.930 nan 8.190 nan 0.000 0.426 325 Q N 5.197 125.036 119.800 0.065 0.000 2.425 325 Q HA 0.530 4.870 4.340 -0.000 0.000 0.254 325 Q C 0.806 176.823 176.000 0.029 0.000 1.032 325 Q CA 0.232 56.062 55.803 0.045 0.000 0.798 325 Q CB 1.491 30.239 28.738 0.017 0.000 1.210 325 Q HN 1.454 nan 8.270 nan 0.000 0.491 326 G N 4.629 113.463 108.800 0.057 0.000 2.595 326 G HA2 -0.405 3.555 3.960 -0.000 0.000 0.297 326 G HA3 -0.405 3.555 3.960 -0.000 0.000 0.297 326 G C 0.543 175.379 174.900 -0.107 0.000 1.181 326 G CA 0.525 45.634 45.100 0.014 0.000 0.963 326 G HN 0.687 nan 8.290 nan 0.000 0.541 327 N N 1.539 120.064 118.700 -0.292 0.000 2.280 327 N HA 0.149 4.889 4.740 -0.000 0.000 0.192 327 N C 0.739 175.752 175.510 -0.829 0.000 1.109 327 N CA 1.036 53.612 53.050 -0.790 0.000 0.855 327 N CB 0.150 38.346 38.487 -0.485 0.000 0.974 327 N HN 1.054 nan 8.380 nan 0.000 0.482 328 R N -0.529 119.784 120.500 -0.312 0.000 2.494 328 R HA 0.630 4.970 4.340 -0.000 0.000 0.305 328 R C -1.308 174.942 176.300 -0.083 0.000 0.959 328 R CA -0.811 55.180 56.100 -0.181 0.000 0.864 328 R CB 1.329 31.561 30.300 -0.115 0.000 1.159 328 R HN -0.199 nan 8.270 nan 0.000 0.446 329 V N 2.301 122.022 119.914 -0.322 0.000 2.481 329 V HA 0.742 4.862 4.120 -0.000 0.000 0.286 329 V C -0.101 175.796 176.094 -0.328 0.000 1.042 329 V CA -0.329 61.735 62.300 -0.393 0.000 0.928 329 V CB 1.433 32.710 31.823 -0.909 0.000 0.986 329 V HN 0.975 nan 8.190 nan 0.000 0.462 330 A N 3.562 126.328 122.820 -0.090 0.000 2.815 330 A HA 0.664 4.984 4.320 -0.000 0.000 0.318 330 A C 0.148 177.789 177.584 0.095 0.000 1.186 330 A CA -0.307 51.720 52.037 -0.017 0.000 0.754 330 A CB 0.751 19.746 19.000 -0.009 0.000 1.151 330 A HN 0.912 nan 8.150 nan 0.000 0.452 331 S N 0.810 116.589 115.700 0.132 0.000 2.686 331 S HA 0.422 4.892 4.470 -0.000 0.000 0.270 331 S C 1.373 176.048 174.600 0.125 0.000 1.194 331 S CA 0.253 58.577 58.200 0.207 0.000 0.990 331 S CB 0.938 64.270 63.200 0.220 0.000 1.029 331 S HN 1.373 nan 8.310 nan 0.000 0.560 332 S N 0.043 115.812 115.700 0.115 0.000 2.474 332 S HA 0.035 4.505 4.470 -0.000 0.000 0.235 332 S C 1.339 175.918 174.600 -0.036 0.000 0.997 332 S CA 0.596 58.820 58.200 0.039 0.000 0.949 332 S CB -0.755 62.472 63.200 0.045 0.000 0.766 332 S HN 0.646 nan 8.310 nan 0.000 0.517 333 L N -2.218 118.999 121.223 -0.009 0.000 2.577 333 L HA 0.470 4.810 4.340 -0.000 0.000 0.225 333 L C 0.179 176.833 176.870 -0.361 0.000 1.053 333 L CA -0.145 54.551 54.840 -0.241 0.000 0.866 333 L CB 0.296 42.304 42.059 -0.086 0.000 1.132 333 L HN 0.284 nan 8.230 nan 0.000 0.486 334 W N -1.003 120.313 121.300 0.026 0.000 2.799 334 W HA 0.587 5.247 4.660 0.000 0.000 0.349 334 W C -0.397 176.114 176.519 -0.014 0.000 1.100 334 W CA -0.403 56.981 57.345 0.066 0.000 1.174 334 W CB 1.838 31.351 29.460 0.089 0.000 1.427 334 W HN -0.439 nan 8.180 nan 0.000 0.547 335 T N 2.764 117.506 114.554 0.313 0.000 3.071 335 T HA 0.613 4.963 4.350 -0.000 0.000 0.311 335 T C -1.524 173.297 174.700 0.202 0.000 1.042 335 T CA -0.540 61.618 62.100 0.097 0.000 1.028 335 T CB 0.611 69.517 68.868 0.063 0.000 1.068 335 T HN 0.269 nan 8.240 nan 0.000 0.451 336 F N -0.587 119.341 119.950 -0.037 0.000 2.719 336 F HA 0.778 5.305 4.527 -0.000 0.000 0.309 336 F C -0.848 174.916 175.800 -0.061 0.000 1.138 336 F CA -1.142 56.812 58.000 -0.075 0.000 0.943 336 F CB 0.957 39.844 39.000 -0.188 0.000 1.304 336 F HN 0.291 nan 8.300 nan 0.000 0.445 337 S N 2.213 117.990 115.700 0.129 0.000 2.438 337 S HA 0.636 5.106 4.470 -0.000 0.000 0.316 337 S C -0.786 173.854 174.600 0.066 0.000 1.084 337 S CA -0.652 57.554 58.200 0.011 0.000 1.107 337 S CB 0.229 63.490 63.200 0.102 0.000 0.981 337 S HN 0.594 nan 8.310 nan 0.000 0.466 338 F N 1.120 121.007 119.950 -0.105 0.000 2.408 338 F HA 1.001 5.528 4.527 0.000 0.000 0.325 338 F C 0.601 176.302 175.800 -0.166 0.000 1.082 338 F CA -0.654 57.171 58.000 -0.291 0.000 1.032 338 F CB 0.549 39.044 39.000 -0.843 0.000 1.259 338 F HN 0.661 nan 8.300 nan 0.000 0.503 339 G N 0.487 109.347 108.800 0.101 0.000 2.490 339 G HA2 0.555 4.515 3.960 -0.000 0.000 0.308 339 G HA3 0.555 4.515 3.960 -0.000 0.000 0.308 339 G C -2.629 172.496 174.900 0.376 0.000 1.286 339 G CA -0.859 44.356 45.100 0.192 0.000 0.825 339 G HN 0.983 nan 8.290 nan 0.000 0.479 340 L N 0.437 121.901 121.223 0.401 0.000 2.639 340 L HA 0.687 5.027 4.340 -0.000 0.000 0.264 340 L C 0.268 177.266 176.870 0.213 0.000 0.948 340 L CA 0.152 55.093 54.840 0.169 0.000 0.912 340 L CB 1.510 43.387 42.059 -0.303 0.000 1.294 340 L HN 1.151 nan 8.230 nan 0.000 0.412 341 G N 2.527 111.416 108.800 0.149 0.000 2.432 341 G HA2 0.461 4.421 3.960 -0.000 0.000 0.257 341 G HA3 0.461 4.421 3.960 -0.000 0.000 0.257 341 G C 0.883 175.851 174.900 0.112 0.000 1.238 341 G CA -0.016 45.204 45.100 0.200 0.000 0.838 341 G HN 1.093 nan 8.290 nan 0.000 0.547 342 A N 1.625 124.520 122.820 0.125 0.000 2.024 342 A HA 0.064 4.384 4.320 -0.000 0.000 0.220 342 A C 1.540 178.867 177.584 -0.428 0.000 1.164 342 A CA 1.480 53.427 52.037 -0.149 0.000 0.643 342 A CB -0.230 18.466 19.000 -0.507 0.000 0.806 342 A HN 0.601 nan 8.150 nan 0.000 0.451 343 F N -2.047 118.016 119.950 0.187 0.000 2.581 343 F HA 0.126 4.653 4.527 -0.000 0.000 0.278 343 F C 2.463 178.303 175.800 0.067 0.000 1.000 343 F CA 0.649 58.740 58.000 0.152 0.000 1.230 343 F CB -0.383 38.693 39.000 0.125 0.000 1.008 343 F HN 0.007 nan 8.300 nan 0.000 0.695 344 S N -0.174 115.652 115.700 0.209 0.000 2.387 344 S HA 0.367 4.837 4.470 -0.000 0.000 0.226 344 S C 1.259 175.786 174.600 -0.121 0.000 1.026 344 S CA 0.937 59.168 58.200 0.052 0.000 0.972 344 S CB -0.583 62.666 63.200 0.081 0.000 0.814 344 S HN 0.636 nan 8.310 nan 0.000 0.477 345 G N 1.547 110.277 108.800 -0.117 0.000 2.500 345 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.209 345 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.209 345 G C -3.287 171.491 174.900 -0.203 0.000 1.283 345 G CA -0.778 44.156 45.100 -0.277 0.000 0.960 345 G HN 0.177 nan 8.290 nan 0.000 0.528 346 P HA 0.432 nan 4.420 nan 0.000 0.269 346 P C -0.239 177.086 177.300 0.042 0.000 1.209 346 P CA 0.391 63.504 63.100 0.021 0.000 0.776 346 P CB 0.503 32.207 31.700 0.006 0.000 0.876 347 R N -0.022 120.575 120.500 0.161 0.000 2.692 347 R HA 0.774 5.113 4.340 -0.000 0.000 0.269 347 R C -1.672 174.577 176.300 -0.087 0.000 1.030 347 R CA -1.128 54.952 56.100 -0.033 0.000 0.882 347 R CB 0.962 31.230 30.300 -0.053 0.000 1.250 347 R HN 0.126 nan 8.270 nan 0.000 0.465 348 V N 1.801 121.497 119.914 -0.362 0.000 2.760 348 V HA 0.621 4.741 4.120 -0.000 0.000 0.309 348 V C -1.339 174.365 176.094 -0.650 0.000 1.077 348 V CA -0.616 61.491 62.300 -0.321 0.000 0.910 348 V CB 1.797 33.453 31.823 -0.279 0.000 1.008 348 V HN 0.602 nan 8.190 nan 0.000 0.424 349 F N 1.402 121.145 119.950 -0.345 0.000 2.561 349 F HA 0.560 5.087 4.527 0.000 0.000 0.321 349 F C 0.560 176.074 175.800 -0.475 0.000 1.065 349 F CA -0.596 56.979 58.000 -0.709 0.000 0.934 349 F CB 1.552 39.611 39.000 -1.569 0.000 1.215 349 F HN 0.609 nan 8.300 nan 0.000 0.471 350 D N 1.150 121.392 120.400 -0.262 0.000 2.699 350 D HA -0.151 4.489 4.640 -0.000 0.000 0.239 350 D C -0.912 175.451 176.300 0.105 0.000 1.136 350 D CA 0.250 54.245 54.000 -0.009 0.000 0.668 350 D CB -0.725 40.128 40.800 0.089 0.000 1.060 350 D HN 0.166 nan 8.370 nan 0.000 0.429 351 V N 1.657 121.634 119.914 0.105 0.000 2.479 351 V HA 0.220 4.340 4.120 -0.000 0.000 0.281 351 V C 1.201 177.464 176.094 0.281 0.000 1.031 351 V CA 0.453 62.895 62.300 0.236 0.000 1.038 351 V CB 0.813 32.758 31.823 0.204 0.000 0.981 351 V HN 0.140 nan 8.190 nan 0.000 0.478 352 R N 4.400 125.104 120.500 0.340 0.000 2.451 352 R HA 0.414 4.754 4.340 -0.000 0.000 0.307 352 R C -1.220 175.160 176.300 0.133 0.000 0.965 352 R CA -0.578 55.654 56.100 0.221 0.000 0.865 352 R CB 2.012 32.396 30.300 0.140 0.000 1.174 352 R HN 0.631 nan 8.270 nan 0.000 0.455 353 F N 3.570 123.398 119.950 -0.204 0.000 2.390 353 F HA 0.106 4.633 4.527 -0.000 0.000 0.361 353 F C 0.418 176.093 175.800 -0.208 0.000 1.124 353 F CA 0.077 57.725 58.000 -0.587 0.000 1.149 353 F CB 0.599 39.175 39.000 -0.708 0.000 1.160 353 F HN 0.644 nan 8.300 nan 0.000 0.501 354 Q N 4.439 123.814 119.800 -0.709 0.000 2.468 354 Q HA -0.226 4.114 4.340 -0.000 0.000 0.289 354 Q C 1.038 176.942 176.000 -0.160 0.000 1.299 354 Q CA 0.860 56.384 55.803 -0.464 0.000 0.838 354 Q CB -1.675 26.735 28.738 -0.547 0.000 1.195 354 Q HN 1.340 nan 8.270 nan 0.000 0.456 355 G N -0.347 108.398 108.800 -0.092 0.000 2.199 355 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.254 355 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.254 355 G C -0.132 174.793 174.900 0.043 0.000 0.982 355 G CA 0.396 45.488 45.100 -0.013 0.000 0.632 355 G HN 0.462 nan 8.290 nan 0.000 0.529 356 E N 0.314 120.562 120.200 0.081 0.000 2.166 356 E HA 0.536 4.886 4.350 -0.000 0.000 0.275 356 E C 0.384 177.082 176.600 0.164 0.000 0.941 356 E CA -1.026 55.459 56.400 0.142 0.000 0.784 356 E CB 0.747 30.572 29.700 0.208 0.000 1.115 356 E HN 0.326 nan 8.360 nan 0.000 0.399 357 R N 4.744 125.335 120.500 0.151 0.000 2.347 357 R HA 0.130 4.470 4.340 -0.000 0.000 0.304 357 R C 0.465 176.832 176.300 0.112 0.000 1.072 357 R CA 0.074 56.260 56.100 0.143 0.000 0.980 357 R CB 0.444 30.832 30.300 0.146 0.000 0.986 357 R HN 0.677 nan 8.270 nan 0.000 0.448 358 L N 2.954 124.204 121.223 0.045 0.000 2.388 358 L HA 0.391 4.731 4.340 -0.000 0.000 0.209 358 L C 0.510 177.325 176.870 -0.091 0.000 1.061 358 L CA 0.111 54.866 54.840 -0.143 0.000 0.834 358 L CB 0.271 42.115 42.059 -0.359 0.000 1.029 358 L HN 0.617 nan 8.230 nan 0.000 0.473 359 A N -1.843 120.971 122.820 -0.009 0.000 2.427 359 A HA 0.349 4.669 4.320 -0.000 0.000 0.298 359 A C -0.466 177.149 177.584 0.050 0.000 1.036 359 A CA -0.528 51.510 52.037 0.002 0.000 0.701 359 A CB 0.803 19.768 19.000 -0.057 0.000 1.250 359 A HN 0.201 nan 8.150 nan 0.000 0.412 360 Y N 1.604 121.885 120.300 -0.032 0.000 2.263 360 Y HA 0.127 4.677 4.550 -0.000 0.000 0.292 360 Y C 0.709 176.557 175.900 -0.086 0.000 1.130 360 Y CA 2.318 60.416 58.100 -0.003 0.000 1.179 360 Y CB 0.351 38.843 38.460 0.052 0.000 0.998 360 Y HN 0.706 nan 8.280 nan 0.000 0.532 361 E N 0.118 120.195 120.200 -0.204 0.000 2.321 361 E HA 0.401 4.751 4.350 -0.000 0.000 0.281 361 E C -1.902 174.464 176.600 -0.390 0.000 0.910 361 E CA -0.582 55.492 56.400 -0.542 0.000 0.770 361 E CB 1.280 30.689 29.700 -0.484 0.000 1.225 361 E HN 0.170 nan 8.360 nan 0.000 0.417 362 I N 3.651 123.948 120.570 -0.456 0.000 2.468 362 I HA 0.317 4.487 4.170 -0.000 0.000 0.284 362 I C -0.802 175.157 176.117 -0.263 0.000 1.038 362 I CA -0.536 60.600 61.300 -0.275 0.000 1.083 362 I CB 1.749 39.634 38.000 -0.192 0.000 1.223 362 I HN 0.505 nan 8.210 nan 0.000 0.443 363 S N 5.763 121.359 115.700 -0.173 0.000 2.546 363 S HA 0.655 5.125 4.470 -0.000 0.000 0.274 363 S C -0.906 173.645 174.600 -0.083 0.000 1.121 363 S CA -0.879 57.239 58.200 -0.137 0.000 0.887 363 S CB 2.271 65.355 63.200 -0.193 0.000 1.094 363 S HN 0.459 nan 8.310 nan 0.000 0.474 364 L N 2.081 123.179 121.223 -0.208 0.000 2.456 364 L HA 0.396 4.736 4.340 -0.000 0.000 0.272 364 L C 0.994 177.619 176.870 -0.408 0.000 1.189 364 L CA 0.685 55.174 54.840 -0.585 0.000 0.846 364 L CB 0.352 41.896 42.059 -0.859 0.000 1.111 364 L HN 0.843 nan 8.230 nan 0.000 0.475 365 Q N 1.984 121.515 119.800 -0.449 0.000 2.548 365 Q HA 0.263 4.603 4.340 -0.000 0.000 0.230 365 Q C -0.286 175.561 176.000 -0.255 0.000 0.899 365 Q CA 0.352 56.021 55.803 -0.223 0.000 0.936 365 Q CB 0.796 29.488 28.738 -0.076 0.000 1.114 365 Q HN 0.711 nan 8.270 nan 0.000 0.606 366 E N -0.767 119.175 120.200 -0.431 0.000 2.363 366 E HA 0.598 4.948 4.350 -0.000 0.000 0.281 366 E C -2.042 174.372 176.600 -0.311 0.000 0.953 366 E CA -0.359 55.847 56.400 -0.323 0.000 0.778 366 E CB 1.843 31.340 29.700 -0.339 0.000 1.220 366 E HN 0.110 nan 8.360 nan 0.000 0.431 367 A N 2.272 125.069 122.820 -0.039 0.000 2.318 367 A HA 0.842 5.162 4.320 -0.000 0.000 0.317 367 A C -0.102 177.651 177.584 0.282 0.000 1.159 367 A CA -0.024 52.062 52.037 0.082 0.000 0.799 367 A CB 1.273 20.313 19.000 0.066 0.000 1.194 367 A HN 0.562 nan 8.150 nan 0.000 0.479 368 G N 0.172 109.194 108.800 0.369 0.000 2.473 368 G HA2 0.812 4.772 3.960 -0.000 0.000 0.321 368 G HA3 0.812 4.772 3.960 -0.000 0.000 0.321 368 G C -0.653 174.388 174.900 0.235 0.000 1.200 368 G CA -0.121 45.156 45.100 0.294 0.000 0.963 368 G HN 1.742 nan 8.290 nan 0.000 0.483 369 A N 0.193 123.091 122.820 0.132 0.000 2.459 369 A HA 0.679 4.999 4.320 -0.000 0.000 0.296 369 A C -1.332 176.168 177.584 -0.141 0.000 1.039 369 A CA -0.446 51.608 52.037 0.028 0.000 0.698 369 A CB 1.925 21.093 19.000 0.282 0.000 1.261 369 A HN 1.170 nan 8.150 nan 0.000 0.405 370 V N 3.188 122.935 119.914 -0.280 0.000 2.407 370 V HA 0.466 4.586 4.120 -0.000 0.000 0.291 370 V C -1.018 174.925 176.094 -0.251 0.000 1.018 370 V CA -0.379 61.783 62.300 -0.230 0.000 0.842 370 V CB 0.881 32.575 31.823 -0.215 0.000 0.996 370 V HN 0.832 nan 8.190 nan 0.000 0.426 371 Y N 2.132 122.338 120.300 -0.158 0.000 2.545 371 Y HA 0.865 5.414 4.550 -0.000 0.000 0.324 371 Y C 0.864 176.711 175.900 -0.087 0.000 1.220 371 Y CA -0.242 57.794 58.100 -0.107 0.000 1.290 371 Y CB 2.053 40.415 38.460 -0.163 0.000 1.355 371 Y HN 0.705 nan 8.280 nan 0.000 0.516 372 G N -1.158 107.721 108.800 0.131 0.000 2.672 372 G HA2 0.641 4.601 3.960 -0.000 0.000 0.292 372 G HA3 0.641 4.601 3.960 -0.000 0.000 0.292 372 G C -0.985 173.916 174.900 0.002 0.000 1.375 372 G CA -0.385 44.760 45.100 0.075 0.000 0.890 372 G HN 0.985 nan 8.290 nan 0.000 0.476 373 G N -0.368 108.255 108.800 -0.294 0.000 2.321 373 G HA2 0.414 4.374 3.960 -0.000 0.000 0.298 373 G HA3 0.414 4.374 3.960 -0.000 0.000 0.298 373 G C -0.263 173.958 174.900 -1.131 0.000 1.385 373 G CA 0.118 44.842 45.100 -0.627 0.000 0.856 373 G HN 1.193 nan 8.290 nan 0.000 0.584 374 N N -1.121 117.026 118.700 -0.922 0.000 2.203 374 N HA 0.158 4.898 4.740 -0.000 0.000 0.207 374 N C 0.638 176.013 175.510 -0.225 0.000 1.130 374 N CA 0.645 53.336 53.050 -0.599 0.000 0.861 374 N CB 0.507 38.679 38.487 -0.525 0.000 1.005 374 N HN 0.822 nan 8.380 nan 0.000 0.507 375 T N -2.956 111.405 114.554 -0.321 0.000 2.902 375 T HA 0.445 4.795 4.350 -0.000 0.000 0.283 375 T C -2.004 172.283 174.700 -0.689 0.000 1.009 375 T CA -1.772 59.982 62.100 -0.577 0.000 1.051 375 T CB 2.470 71.150 68.868 -0.313 0.000 0.999 375 T HN -0.315 nan 8.240 nan 0.000 0.474 376 P HA -0.183 nan 4.420 nan 0.000 0.208 376 P C 1.821 178.699 177.300 -0.703 0.000 1.180 376 P CA 2.006 64.476 63.100 -1.049 0.000 0.935 376 P CB -0.392 30.174 31.700 -1.891 0.000 0.785 377 A N -0.277 122.216 122.820 -0.545 0.000 1.903 377 A HA -0.245 4.075 4.320 -0.000 0.000 0.219 377 A C 2.377 179.765 177.584 -0.328 0.000 1.191 377 A CA 2.878 54.729 52.037 -0.310 0.000 0.638 377 A CB -1.808 17.091 19.000 -0.168 0.000 0.823 377 A HN 0.240 nan 8.150 nan 0.000 0.451 378 A N 0.126 122.753 122.820 -0.323 0.000 1.972 378 A HA -0.123 4.197 4.320 -0.000 0.000 0.219 378 A C 2.269 179.728 177.584 -0.210 0.000 1.169 378 A CA 2.028 53.899 52.037 -0.277 0.000 0.635 378 A CB -0.677 18.202 19.000 -0.201 0.000 0.810 378 A HN 0.866 nan 8.150 nan 0.000 0.446 379 M N -1.141 118.297 119.600 -0.270 0.000 2.447 379 M HA 0.160 4.640 4.480 -0.000 0.000 0.264 379 M C 1.633 177.840 176.300 -0.155 0.000 1.095 379 M CA 1.441 56.608 55.300 -0.222 0.000 1.125 379 M CB -0.367 32.062 32.600 -0.284 0.000 1.389 379 M HN 0.295 nan 8.290 nan 0.000 0.459 380 L N -1.444 119.671 121.223 -0.180 0.000 2.515 380 L HA 0.427 4.767 4.340 -0.000 0.000 0.223 380 L C 0.394 177.190 176.870 -0.123 0.000 1.079 380 L CA 0.166 54.940 54.840 -0.110 0.000 0.857 380 L CB -0.883 41.130 42.059 -0.077 0.000 1.050 380 L HN -0.089 nan 8.230 nan 0.000 0.476 381 T N 4.132 118.560 114.554 -0.209 0.000 2.784 381 T HA 0.291 4.641 4.350 -0.000 0.000 0.291 381 T C -0.076 174.441 174.700 -0.303 0.000 0.942 381 T CA 0.038 61.926 62.100 -0.353 0.000 1.161 381 T CB -0.188 68.318 68.868 -0.604 0.000 0.885 381 T HN 0.221 nan 8.240 nan 0.000 0.534 382 R N 3.564 123.866 120.500 -0.330 0.000 2.451 382 R HA 0.310 4.650 4.340 -0.000 0.000 0.307 382 R C -1.287 174.856 176.300 -0.262 0.000 0.965 382 R CA -0.745 55.167 56.100 -0.313 0.000 0.865 382 R CB 0.692 30.835 30.300 -0.262 0.000 1.174 382 R HN 0.482 nan 8.270 nan 0.000 0.455 383 Y N 1.936 122.186 120.300 -0.083 0.000 2.334 383 Y HA 0.413 4.962 4.550 -0.000 0.000 0.328 383 Y C 0.753 176.651 175.900 -0.004 0.000 1.130 383 Y CA -0.949 57.172 58.100 0.034 0.000 1.163 383 Y CB 1.623 40.178 38.460 0.158 0.000 1.207 383 Y HN 0.394 nan 8.280 nan 0.000 0.471 384 M N 3.222 122.980 119.600 0.263 0.000 2.488 384 M HA 0.205 4.685 4.480 -0.000 0.000 0.204 384 M C 0.193 176.594 176.300 0.167 0.000 0.969 384 M CA -0.256 55.159 55.300 0.190 0.000 0.720 384 M CB 0.721 33.400 32.600 0.132 0.000 1.427 384 M HN 0.544 nan 8.290 nan 0.000 0.427 385 D N 0.269 120.820 120.400 0.252 0.000 2.280 385 D HA -0.156 4.484 4.640 -0.000 0.000 0.206 385 D C 1.907 178.360 176.300 0.255 0.000 0.988 385 D CA 1.669 55.852 54.000 0.305 0.000 0.886 385 D CB 0.064 41.056 40.800 0.321 0.000 0.914 385 D HN 0.573 nan 8.370 nan 0.000 0.473 386 S N -0.526 115.274 115.700 0.166 0.000 2.507 386 S HA -0.030 4.440 4.470 -0.000 0.000 0.235 386 S C 2.051 176.715 174.600 0.108 0.000 0.988 386 S CA 0.891 59.203 58.200 0.187 0.000 0.944 386 S CB -0.401 62.871 63.200 0.119 0.000 0.762 386 S HN 0.250 nan 8.310 nan 0.000 0.526 387 G N -0.170 108.573 108.800 -0.095 0.000 2.534 387 G HA2 0.144 4.104 3.960 -0.000 0.000 0.217 387 G HA3 0.144 4.104 3.960 -0.000 0.000 0.217 387 G C 0.841 175.574 174.900 -0.278 0.000 1.128 387 G CA 0.347 45.248 45.100 -0.332 0.000 0.784 387 G HN 0.626 nan 8.290 nan 0.000 0.542 388 F N -0.185 119.950 119.950 0.309 0.000 2.514 388 F HA 0.417 4.944 4.527 0.000 0.000 0.281 388 F C 1.415 177.696 175.800 0.803 0.000 1.060 388 F CA 0.535 58.811 58.000 0.461 0.000 1.397 388 F CB 0.711 39.707 39.000 -0.007 0.000 1.129 388 F HN 0.214 nan 8.300 nan 0.000 0.620 389 G N 0.816 110.085 108.800 0.782 0.000 3.071 389 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.620 389 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.620 389 G C -0.129 175.061 174.900 0.485 0.000 1.204 389 G CA -0.689 44.826 45.100 0.691 0.000 1.200 389 G HN 0.007 nan 8.290 nan 0.000 0.530 390 M N 1.662 121.441 119.600 0.298 0.000 2.279 390 M HA 0.116 4.596 4.480 -0.000 0.000 0.264 390 M C 2.414 178.755 176.300 0.069 0.000 1.062 390 M CA 2.821 58.247 55.300 0.210 0.000 1.099 390 M CB -0.080 32.561 32.600 0.068 0.000 1.394 390 M HN 0.751 nan 8.290 nan 0.000 0.426 391 G N -1.948 106.829 108.800 -0.038 0.000 2.437 391 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.212 391 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.212 391 G C 1.359 176.126 174.900 -0.222 0.000 1.174 391 G CA 0.030 44.925 45.100 -0.342 0.000 0.811 391 G HN 0.397 nan 8.290 nan 0.000 0.537 392 Y N 1.036 121.241 120.300 -0.158 0.000 2.256 392 Y HA 0.012 4.562 4.550 0.000 0.000 0.288 392 Y C 1.310 176.984 175.900 -0.375 0.000 1.155 392 Y CA 0.464 58.382 58.100 -0.303 0.000 1.203 392 Y CB -0.290 38.057 38.460 -0.188 0.000 0.980 392 Y HN 0.166 nan 8.280 nan 0.000 0.530 393 F N 0.173 120.015 119.950 -0.180 0.000 2.639 393 F HA 0.459 4.986 4.527 -0.000 0.000 0.300 393 F C 1.178 176.887 175.800 -0.152 0.000 1.109 393 F CA -0.049 57.815 58.000 -0.225 0.000 1.335 393 F CB -0.538 38.386 39.000 -0.127 0.000 1.014 393 F HN 0.019 nan 8.300 nan 0.000 0.537 394 A N 0.467 123.245 122.820 -0.071 0.000 2.425 394 A HA 0.506 4.826 4.320 -0.000 0.000 0.242 394 A C 0.527 178.057 177.584 -0.091 0.000 1.077 394 A CA 0.098 52.075 52.037 -0.099 0.000 0.781 394 A CB -0.034 18.800 19.000 -0.277 0.000 1.020 394 A HN 0.266 nan 8.150 nan 0.000 0.494 395 T N -0.256 114.258 114.554 -0.066 0.000 2.924 395 T HA 0.683 5.033 4.350 -0.000 0.000 0.291 395 T C -3.079 171.599 174.700 -0.037 0.000 1.045 395 T CA -2.041 60.032 62.100 -0.044 0.000 1.015 395 T CB 1.337 70.181 68.868 -0.040 0.000 1.103 395 T HN 0.366 nan 8.240 nan 0.000 0.496 396 P HA 0.255 nan 4.420 nan 0.000 0.267 396 P C -0.620 176.679 177.300 -0.000 0.000 1.205 396 P CA -0.371 62.739 63.100 0.017 0.000 0.765 396 P CB 0.199 31.922 31.700 0.038 0.000 0.828 397 L N 4.527 125.769 121.223 0.032 0.000 2.369 397 L HA 0.185 4.525 4.340 -0.000 0.000 0.279 397 L C 0.706 177.574 176.870 -0.002 0.000 1.108 397 L CA -0.202 54.669 54.840 0.052 0.000 0.852 397 L CB -0.219 41.949 42.059 0.183 0.000 1.169 397 L HN 0.283 nan 8.230 nan 0.000 0.452 398 I N 4.905 125.445 120.570 -0.049 0.000 2.576 398 I HA 0.032 4.202 4.170 -0.000 0.000 0.288 398 I C 0.688 176.707 176.117 -0.162 0.000 1.126 398 I CA -0.130 61.107 61.300 -0.105 0.000 1.362 398 I CB -0.235 37.705 38.000 -0.099 0.000 1.419 398 I HN 0.544 nan 8.210 nan 0.000 0.533 399 R N 5.241 125.593 120.500 -0.247 0.000 2.538 399 R HA 0.160 4.500 4.340 -0.000 0.000 0.282 399 R C 1.271 177.151 176.300 -0.700 0.000 1.009 399 R CA 0.717 56.611 56.100 -0.344 0.000 1.063 399 R CB 0.107 30.188 30.300 -0.365 0.000 0.945 399 R HN 1.020 nan 8.270 nan 0.000 0.414 400 G N 1.096 109.348 108.800 -0.913 0.000 2.199 400 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.254 400 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.254 400 G C 0.487 175.048 174.900 -0.564 0.000 0.982 400 G CA 0.295 44.560 45.100 -1.392 0.000 0.632 400 G HN 0.464 nan 8.290 nan 0.000 0.529 401 V N -0.107 119.587 119.914 -0.366 0.000 3.001 401 V HA 0.180 4.300 4.120 -0.000 0.000 0.228 401 V C 2.073 178.066 176.094 -0.169 0.000 1.204 401 V CA 1.556 63.730 62.300 -0.212 0.000 1.247 401 V CB -0.108 31.621 31.823 -0.158 0.000 1.093 401 V HN 0.163 nan 8.190 nan 0.000 0.504 402 D N -0.206 120.111 120.400 -0.138 0.000 2.194 402 D HA 0.034 4.674 4.640 -0.000 0.000 0.204 402 D C 0.426 176.658 176.300 -0.114 0.000 0.964 402 D CA 0.990 54.930 54.000 -0.099 0.000 0.846 402 D CB 0.176 40.944 40.800 -0.052 0.000 0.962 402 D HN 0.408 nan 8.370 nan 0.000 0.490 403 c N 0.144 118.652 118.600 -0.152 0.000 2.994 403 c HA 0.384 4.954 4.570 -0.000 0.000 0.305 403 c C -2.501 171.362 174.090 -0.378 0.000 1.251 403 c CA -1.759 54.355 56.329 -0.358 0.000 1.478 403 c CB 1.926 44.252 42.510 -0.307 0.000 1.922 403 c HN -0.007 nan 8.230 nan 0.000 0.472 404 P HA -0.027 nan 4.420 nan 0.000 0.263 404 P C 0.154 177.403 177.300 -0.085 0.000 1.175 404 P CA 0.563 63.465 63.100 -0.329 0.000 0.761 404 P CB 0.181 31.646 31.700 -0.392 0.000 0.794 405 Y N 2.041 122.338 120.300 -0.005 0.000 2.181 405 Y HA -0.186 4.364 4.550 -0.000 0.000 0.284 405 Y C 1.748 177.729 175.900 0.135 0.000 1.179 405 Y CA 1.622 59.756 58.100 0.057 0.000 1.179 405 Y CB -0.491 37.977 38.460 0.013 0.000 0.973 405 Y HN 0.300 nan 8.280 nan 0.000 0.519 406 L N -0.774 120.598 121.223 0.248 0.000 2.872 406 L HA 0.370 4.710 4.340 -0.000 0.000 0.245 406 L C 0.902 177.884 176.870 0.188 0.000 1.211 406 L CA -0.509 54.456 54.840 0.209 0.000 1.013 406 L CB -0.587 41.559 42.059 0.145 0.000 1.326 406 L HN 0.006 nan 8.230 nan 0.000 0.525 407 A N -0.067 122.842 122.820 0.148 0.000 2.327 407 A HA 0.450 4.770 4.320 -0.000 0.000 0.255 407 A C 0.358 177.964 177.584 0.036 0.000 1.099 407 A CA -0.000 52.049 52.037 0.021 0.000 0.801 407 A CB 0.196 19.000 19.000 -0.327 0.000 1.062 407 A HN 0.197 nan 8.150 nan 0.000 0.496 408 T N 1.479 116.068 114.554 0.059 0.000 2.727 408 T HA 0.462 4.812 4.350 -0.000 0.000 0.298 408 T C -1.032 173.670 174.700 0.002 0.000 0.942 408 T CA 0.512 62.679 62.100 0.111 0.000 0.997 408 T CB -0.382 68.591 68.868 0.176 0.000 0.917 408 T HN 0.345 nan 8.240 nan 0.000 0.487 409 Y N 2.644 123.051 120.300 0.178 0.000 2.361 409 Y HA 0.642 5.192 4.550 -0.000 0.000 0.332 409 Y C 0.203 176.244 175.900 0.236 0.000 1.101 409 Y CA -1.244 56.970 58.100 0.190 0.000 1.137 409 Y CB 1.261 39.805 38.460 0.141 0.000 1.207 409 Y HN 0.452 nan 8.280 nan 0.000 0.463 410 M N 2.284 122.155 119.600 0.452 0.000 2.457 410 M HA 0.343 4.823 4.480 -0.000 0.000 0.300 410 M C -1.152 175.446 176.300 0.496 0.000 1.141 410 M CA -0.684 54.916 55.300 0.500 0.000 0.901 410 M CB 1.693 34.675 32.600 0.636 0.000 1.687 410 M HN 0.473 nan 8.290 nan 0.000 0.449 411 D N 0.394 121.027 120.400 0.388 0.000 2.387 411 D HA 0.486 5.126 4.640 -0.000 0.000 0.251 411 D C -1.452 175.027 176.300 0.299 0.000 1.141 411 D CA 0.143 54.274 54.000 0.219 0.000 0.987 411 D CB 0.852 41.681 40.800 0.048 0.000 1.116 411 D HN 0.542 nan 8.370 nan 0.000 0.491 412 W N -0.129 121.070 121.300 -0.169 0.000 2.950 412 W HA 0.409 5.069 4.660 0.000 0.000 0.340 412 W C -1.187 175.133 176.519 -0.331 0.000 1.139 412 W CA -0.453 56.846 57.345 -0.077 0.000 1.188 412 W CB 0.953 30.386 29.460 -0.044 0.000 1.426 412 W HN 0.336 nan 8.180 nan 0.000 0.531 413 H N 3.744 122.476 119.070 -0.564 0.000 2.690 413 H HA 0.683 5.239 4.556 0.000 0.000 0.368 413 H C -0.865 173.888 175.328 -0.959 0.000 1.150 413 H CA -0.539 55.165 56.048 -0.573 0.000 1.174 413 H CB 1.784 31.353 29.762 -0.321 0.000 1.684 413 H HN 0.239 nan 8.280 nan 0.000 0.538 414 F N -0.435 119.072 119.950 -0.739 0.000 2.668 414 F HA 0.621 5.148 4.527 0.000 0.000 0.309 414 F C -1.722 173.862 175.800 -0.360 0.000 1.117 414 F CA -1.374 56.209 58.000 -0.695 0.000 0.951 414 F CB 0.949 39.393 39.000 -0.928 0.000 1.323 414 F HN 0.341 nan 8.300 nan 0.000 0.451 415 V N 0.641 120.410 119.914 -0.242 0.000 2.398 415 V HA 0.816 4.936 4.120 -0.000 0.000 0.282 415 V C -1.454 174.498 176.094 -0.235 0.000 1.014 415 V CA -0.754 61.379 62.300 -0.279 0.000 0.838 415 V CB 0.581 32.270 31.823 -0.224 0.000 1.018 415 V HN 0.839 nan 8.190 nan 0.000 0.432 416 V N 3.451 123.207 119.914 -0.264 0.000 2.525 416 V HA 0.555 4.675 4.120 -0.000 0.000 0.299 416 V C 0.378 176.147 176.094 -0.543 0.000 1.034 416 V CA -0.527 61.390 62.300 -0.639 0.000 0.863 416 V CB 1.207 32.331 31.823 -1.165 0.000 0.999 416 V HN 1.025 nan 8.190 nan 0.000 0.423 417 E N 1.549 121.425 120.200 -0.540 0.000 2.389 417 E HA -0.192 4.158 4.350 -0.000 0.000 0.243 417 E C 0.038 176.575 176.600 -0.105 0.000 1.154 417 E CA 0.883 57.149 56.400 -0.223 0.000 0.723 417 E CB -0.752 28.917 29.700 -0.051 0.000 1.261 417 E HN 0.628 nan 8.360 nan 0.000 0.390 418 S N -0.459 115.154 115.700 -0.145 0.000 2.548 418 S HA 0.221 4.691 4.470 -0.000 0.000 0.278 418 S C -0.006 174.522 174.600 -0.119 0.000 1.150 418 S CA -0.461 57.674 58.200 -0.109 0.000 0.907 418 S CB 1.509 64.628 63.200 -0.134 0.000 1.108 418 S HN 0.330 nan 8.310 nan 0.000 0.459 419 Q N 1.520 121.270 119.800 -0.083 0.000 2.246 419 Q HA 0.261 4.601 4.340 -0.000 0.000 0.202 419 Q C -0.210 175.739 176.000 -0.085 0.000 0.883 419 Q CA -0.213 55.545 55.803 -0.074 0.000 0.952 419 Q CB -0.059 28.653 28.738 -0.043 0.000 1.078 419 Q HN 0.555 nan 8.270 nan 0.000 0.493 420 T N -1.178 113.308 114.554 -0.114 0.000 2.921 420 T HA 0.480 4.830 4.350 -0.000 0.000 0.297 420 T C -3.013 171.567 174.700 -0.199 0.000 1.013 420 T CA -2.266 59.758 62.100 -0.127 0.000 0.990 420 T CB 1.715 70.525 68.868 -0.097 0.000 1.023 420 T HN -0.125 nan 8.240 nan 0.000 0.447 421 P HA 0.376 nan 4.420 nan 0.000 0.265 421 P C -0.540 176.546 177.300 -0.356 0.000 1.193 421 P CA -0.328 62.590 63.100 -0.303 0.000 0.765 421 P CB 0.407 31.966 31.700 -0.235 0.000 0.823 422 K N 1.376 121.395 120.400 -0.636 0.000 2.156 422 K HA 0.595 4.915 4.320 -0.000 0.000 0.250 422 K C -0.324 176.003 176.600 -0.455 0.000 0.955 422 K CA -0.359 55.554 56.287 -0.625 0.000 0.855 422 K CB 0.985 32.906 32.500 -0.966 0.000 1.101 422 K HN 0.255 nan 8.250 nan 0.000 0.434 423 T N 2.160 116.595 114.554 -0.198 0.000 2.779 423 T HA 0.356 4.706 4.350 -0.000 0.000 0.280 423 T C -0.684 173.930 174.700 -0.143 0.000 0.987 423 T CA -0.641 61.338 62.100 -0.202 0.000 0.966 423 T CB 0.452 69.159 68.868 -0.268 0.000 0.933 423 T HN 0.271 nan 8.240 nan 0.000 0.442 424 L N 4.819 126.022 121.223 -0.033 0.000 2.287 424 L HA 0.349 4.689 4.340 -0.000 0.000 0.280 424 L C -0.226 176.625 176.870 -0.032 0.000 1.055 424 L CA -0.690 54.209 54.840 0.099 0.000 0.863 424 L CB -0.033 42.233 42.059 0.346 0.000 1.245 424 L HN 0.787 nan 8.230 nan 0.000 0.432 425 H N 3.464 122.577 119.070 0.071 0.000 2.928 425 H HA 0.001 4.557 4.556 -0.000 0.000 0.338 425 H C -0.037 175.325 175.328 0.055 0.000 1.047 425 H CA 0.295 56.377 56.048 0.057 0.000 1.435 425 H CB 0.405 30.190 29.762 0.038 0.000 1.428 425 H HN 0.530 nan 8.280 nan 0.000 0.590 426 D N 1.603 122.133 120.400 0.218 0.000 2.686 426 D HA -0.219 4.421 4.640 -0.000 0.000 0.235 426 D C 0.987 177.358 176.300 0.118 0.000 1.160 426 D CA 0.856 54.989 54.000 0.223 0.000 0.645 426 D CB -1.138 39.751 40.800 0.147 0.000 1.039 426 D HN 0.751 nan 8.370 nan 0.000 0.423 427 A N -0.968 121.841 122.820 -0.017 0.000 1.969 427 A HA 0.118 4.438 4.320 -0.000 0.000 0.218 427 A C 0.761 178.016 177.584 -0.549 0.000 1.169 427 A CA 0.869 52.685 52.037 -0.368 0.000 0.635 427 A CB 0.118 18.755 19.000 -0.606 0.000 0.810 427 A HN 0.285 nan 8.150 nan 0.000 0.445 428 F N -1.881 118.166 119.950 0.163 0.000 2.579 428 F HA 0.555 5.082 4.527 -0.000 0.000 0.324 428 F C 0.126 175.955 175.800 0.048 0.000 1.058 428 F CA -0.995 57.050 58.000 0.075 0.000 0.944 428 F CB 1.717 40.813 39.000 0.161 0.000 1.245 428 F HN 0.193 nan 8.300 nan 0.000 0.477 429 c N 0.637 119.312 118.600 0.126 0.000 2.701 429 c HA 0.906 5.476 4.570 -0.000 0.000 0.336 429 c C -1.435 172.698 174.090 0.071 0.000 1.123 429 c CA -0.834 55.448 56.329 -0.078 0.000 1.326 429 c CB 0.535 42.836 42.510 -0.348 0.000 1.833 429 c HN 0.674 nan 8.230 nan 0.000 0.473 430 V N 4.794 124.761 119.914 0.089 0.000 2.487 430 V HA 0.888 5.008 4.120 -0.000 0.000 0.298 430 V C -0.319 175.900 176.094 0.207 0.000 1.028 430 V CA -0.064 62.298 62.300 0.103 0.000 0.860 430 V CB 1.324 33.188 31.823 0.069 0.000 0.991 430 V HN 1.009 nan 8.190 nan 0.000 0.427 431 F N 1.535 121.399 119.950 -0.143 0.000 2.693 431 F HA 0.694 5.221 4.527 -0.000 0.000 0.309 431 F C -0.710 174.923 175.800 -0.280 0.000 1.129 431 F CA -1.106 56.809 58.000 -0.141 0.000 0.948 431 F CB 1.373 40.349 39.000 -0.039 0.000 1.315 431 F HN 0.324 nan 8.300 nan 0.000 0.447 432 E N 1.646 121.793 120.200 -0.087 0.000 2.227 432 E HA 0.257 4.607 4.350 -0.000 0.000 0.282 432 E C -1.349 175.315 176.600 0.106 0.000 1.015 432 E CA -0.523 55.812 56.400 -0.109 0.000 0.823 432 E CB 1.968 31.653 29.700 -0.025 0.000 1.081 432 E HN 0.677 nan 8.360 nan 0.000 0.396 433 Q N 2.630 122.435 119.800 0.008 0.000 2.333 433 Q HA 0.134 4.474 4.340 -0.000 0.000 0.268 433 Q C -0.672 175.351 176.000 0.038 0.000 1.007 433 Q CA -0.581 55.276 55.803 0.090 0.000 0.810 433 Q CB 0.985 29.765 28.738 0.070 0.000 1.264 433 Q HN 0.309 nan 8.270 nan 0.000 0.452 434 N N 3.571 122.310 118.700 0.065 0.000 2.427 434 N HA -0.036 4.704 4.740 -0.000 0.000 0.269 434 N C 0.324 175.861 175.510 0.046 0.000 1.235 434 N CA 0.181 53.263 53.050 0.053 0.000 0.934 434 N CB 0.887 39.408 38.487 0.058 0.000 1.121 434 N HN 0.541 nan 8.380 nan 0.000 0.480 435 K N 3.395 123.821 120.400 0.042 0.000 2.218 435 K HA -0.102 4.218 4.320 -0.000 0.000 0.205 435 K C 1.120 177.751 176.600 0.051 0.000 1.046 435 K CA 1.506 57.823 56.287 0.050 0.000 0.933 435 K CB -0.556 31.992 32.500 0.080 0.000 0.728 435 K HN 0.862 nan 8.250 nan 0.000 0.454 436 G N -1.030 107.799 108.800 0.048 0.000 2.176 436 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.253 436 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.253 436 G C -0.341 174.583 174.900 0.040 0.000 0.979 436 G CA 0.289 45.414 45.100 0.041 0.000 0.641 436 G HN 0.309 nan 8.290 nan 0.000 0.530 437 L N 1.230 122.481 121.223 0.047 0.000 2.436 437 L HA 0.774 5.114 4.340 -0.000 0.000 0.268 437 L C -2.318 174.580 176.870 0.046 0.000 0.974 437 L CA -2.236 52.630 54.840 0.043 0.000 0.826 437 L CB 1.923 44.009 42.059 0.045 0.000 1.291 437 L HN -0.095 nan 8.230 nan 0.000 0.406 438 P HA 0.004 nan 4.420 nan 0.000 0.267 438 P C 0.616 177.939 177.300 0.038 0.000 1.205 438 P CA -0.177 62.945 63.100 0.036 0.000 0.765 438 P CB 1.016 32.731 31.700 0.026 0.000 0.828 439 L N 4.094 125.346 121.223 0.049 0.000 2.046 439 L HA -0.095 4.245 4.340 -0.000 0.000 0.208 439 L C 1.197 178.084 176.870 0.028 0.000 1.077 439 L CA 1.833 56.703 54.840 0.050 0.000 0.747 439 L CB -0.298 41.802 42.059 0.068 0.000 0.896 439 L HN 0.566 nan 8.230 nan 0.000 0.432 440 R N -1.998 118.517 120.500 0.024 0.000 2.716 440 R HA 0.590 4.930 4.340 -0.000 0.000 0.271 440 R C -0.995 175.313 176.300 0.013 0.000 1.028 440 R CA -0.958 55.150 56.100 0.013 0.000 0.883 440 R CB 1.160 31.467 30.300 0.011 0.000 1.250 440 R HN -0.064 nan 8.270 nan 0.000 0.465 453 G N -0.883 107.926 108.800 0.014 0.000 3.247 453 G HA2 0.660 4.620 3.960 -0.000 0.000 0.199 453 G HA3 0.660 4.620 3.960 -0.000 0.000 0.199 453 G C -1.595 173.318 174.900 0.022 0.000 1.172 453 G CA 0.234 45.344 45.100 0.016 0.000 0.844 453 G HN 1.246 nan 8.290 nan 0.000 0.619 454 V N -0.392 119.538 119.914 0.027 0.000 2.925 454 V HA 0.752 4.872 4.120 -0.000 0.000 0.311 454 V C 0.154 176.273 176.094 0.041 0.000 1.104 454 V CA -0.197 62.124 62.300 0.035 0.000 0.954 454 V CB 1.623 33.469 31.823 0.038 0.000 1.022 454 V HN 1.338 nan 8.190 nan 0.000 0.427 455 A N 3.946 126.794 122.820 0.046 0.000 2.313 455 A HA 0.598 4.918 4.320 -0.000 0.000 0.261 455 A C -0.204 177.419 177.584 0.066 0.000 1.090 455 A CA -0.193 51.875 52.037 0.052 0.000 0.807 455 A CB 0.553 19.584 19.000 0.051 0.000 1.055 455 A HN 0.854 nan 8.150 nan 0.000 0.492 456 Q N 0.553 120.395 119.800 0.071 0.000 2.381 456 Q HA 0.463 4.803 4.340 -0.000 0.000 0.263 456 Q C -0.845 175.201 176.000 0.076 0.000 1.030 456 Q CA -0.381 55.477 55.803 0.092 0.000 0.772 456 Q CB 0.992 29.796 28.738 0.109 0.000 1.232 456 Q HN 0.860 nan 8.270 nan 0.000 0.476 457 T N 0.123 114.720 114.554 0.072 0.000 2.841 457 T HA 0.723 5.073 4.350 -0.000 0.000 0.283 457 T C -0.153 174.542 174.700 -0.008 0.000 1.000 457 T CA -0.645 61.476 62.100 0.035 0.000 0.977 457 T CB 1.491 70.391 68.868 0.053 0.000 0.979 457 T HN 0.347 nan 8.240 nan 0.000 0.446 458 V N 1.042 120.890 119.914 -0.110 0.000 2.960 458 V HA 0.860 4.980 4.120 -0.000 0.000 0.315 458 V C -0.772 175.160 176.094 -0.270 0.000 1.087 458 V CA -1.358 60.795 62.300 -0.244 0.000 0.982 458 V CB 1.611 33.121 31.823 -0.521 0.000 1.039 458 V HN 0.935 nan 8.190 nan 0.000 0.437 459 L N 3.027 124.082 121.223 -0.280 0.000 2.289 459 L HA 0.738 5.078 4.340 -0.000 0.000 0.285 459 L C -0.421 176.235 176.870 -0.357 0.000 1.049 459 L CA 0.088 54.723 54.840 -0.340 0.000 0.804 459 L CB 1.488 43.403 42.059 -0.240 0.000 1.195 459 L HN 0.668 nan 8.230 nan 0.000 0.428 460 V N 5.885 125.450 119.914 -0.582 0.000 2.407 460 V HA 0.325 4.445 4.120 -0.000 0.000 0.291 460 V C -0.735 175.132 176.094 -0.378 0.000 1.018 460 V CA -0.546 61.372 62.300 -0.637 0.000 0.842 460 V CB 1.207 32.306 31.823 -1.207 0.000 0.996 460 V HN 0.583 nan 8.190 nan 0.000 0.426 461 F N 6.298 126.109 119.950 -0.233 0.000 2.361 461 F HA 0.647 5.174 4.527 0.000 0.000 0.364 461 F C 0.140 175.911 175.800 -0.048 0.000 1.120 461 F CA -0.430 57.512 58.000 -0.096 0.000 1.102 461 F CB 0.491 39.514 39.000 0.038 0.000 1.183 461 F HN 0.380 nan 8.300 nan 0.000 0.476 462 R N 3.378 123.607 120.500 -0.453 0.000 2.778 462 R HA 0.743 5.083 4.340 -0.000 0.000 0.277 462 R C -1.120 174.957 176.300 -0.371 0.000 0.977 462 R CA -0.649 55.242 56.100 -0.348 0.000 0.950 462 R CB 2.168 32.437 30.300 -0.052 0.000 1.165 462 R HN 0.817 nan 8.270 nan 0.000 0.474 463 S N -0.184 115.404 115.700 -0.188 0.000 2.547 463 S HA 0.514 4.984 4.470 -0.000 0.000 0.270 463 S C -1.298 173.342 174.600 0.066 0.000 1.150 463 S CA -0.839 57.321 58.200 -0.066 0.000 0.850 463 S CB 2.006 65.176 63.200 -0.051 0.000 1.118 463 S HN 0.213 nan 8.310 nan 0.000 0.461 464 V N 1.840 121.769 119.914 0.025 0.000 2.577 464 V HA 0.629 4.749 4.120 -0.000 0.000 0.303 464 V C -0.391 175.735 176.094 0.054 0.000 1.042 464 V CA -0.506 61.789 62.300 -0.009 0.000 0.872 464 V CB 1.951 33.730 31.823 -0.074 0.000 0.998 464 V HN 0.999 nan 8.190 nan 0.000 0.423 465 S N 2.882 118.661 115.700 0.132 0.000 2.489 465 S HA 0.707 5.177 4.470 -0.000 0.000 0.291 465 S C -0.096 174.523 174.600 0.031 0.000 1.151 465 S CA -0.465 57.856 58.200 0.202 0.000 1.082 465 S CB 1.474 64.995 63.200 0.535 0.000 1.019 465 S HN 0.791 nan 8.310 nan 0.000 0.492 466 T N 3.855 118.423 114.554 0.023 0.000 2.879 466 T HA 0.511 4.861 4.350 -0.000 0.000 0.290 466 T C -0.745 173.927 174.700 -0.045 0.000 0.993 466 T CA -0.448 61.613 62.100 -0.065 0.000 0.975 466 T CB 0.744 69.574 68.868 -0.063 0.000 0.981 466 T HN 0.478 nan 8.240 nan 0.000 0.439 467 M N 3.732 123.206 119.600 -0.210 0.000 2.106 467 M HA 0.431 4.911 4.480 -0.000 0.000 0.288 467 M C -0.487 175.622 176.300 -0.319 0.000 0.941 467 M CA -0.669 54.426 55.300 -0.342 0.000 0.934 467 M CB 1.549 33.754 32.600 -0.659 0.000 1.551 467 M HN 0.541 nan 8.290 nan 0.000 0.437 468 L N 2.916 124.011 121.223 -0.213 0.000 3.632 468 L HA -0.325 4.015 4.340 -0.000 0.000 0.510 468 L C 0.254 177.088 176.870 -0.061 0.000 1.299 468 L CA 0.275 55.001 54.840 -0.190 0.000 0.829 468 L CB -2.175 39.587 42.059 -0.495 0.000 1.559 468 L HN 1.011 nan 8.230 nan 0.000 0.857 472 Y N 0.646 120.734 120.300 -0.355 0.000 2.367 472 Y HA 0.362 4.912 4.550 -0.000 0.000 0.342 472 Y C 0.688 176.068 175.900 -0.867 0.000 0.979 472 Y CA -0.988 56.684 58.100 -0.714 0.000 1.161 472 Y CB 1.866 39.726 38.460 -1.002 0.000 1.155 472 Y HN 0.141 nan 8.280 nan 0.000 0.503 473 V N 5.774 125.375 119.914 -0.523 0.000 2.333 473 V HA 0.328 4.447 4.120 -0.000 0.000 0.274 473 V C -1.258 174.606 176.094 -0.383 0.000 1.028 473 V CA -0.895 61.170 62.300 -0.392 0.000 0.851 473 V CB -0.039 31.677 31.823 -0.178 0.000 1.000 473 V HN 0.708 nan 8.190 nan 0.000 0.456 474 W N 5.020 126.309 121.300 -0.018 0.000 2.331 474 W HA 0.635 5.295 4.660 0.000 0.000 0.306 474 W C -0.361 176.079 176.519 -0.133 0.000 1.162 474 W CA -0.510 56.804 57.345 -0.052 0.000 1.232 474 W CB 0.943 30.370 29.460 -0.054 0.000 1.235 474 W HN 0.484 nan 8.180 nan 0.000 0.479 475 D N 3.078 123.515 120.400 0.061 0.000 2.498 475 D HA 0.505 5.145 4.640 -0.000 0.000 0.247 475 D C -0.544 175.623 176.300 -0.222 0.000 1.070 475 D CA -0.596 53.342 54.000 -0.102 0.000 0.842 475 D CB 1.647 42.383 40.800 -0.106 0.000 1.361 475 D HN 0.218 nan 8.370 nan 0.000 0.484 476 M N 2.055 121.490 119.600 -0.276 0.000 2.031 476 M HA 0.226 4.706 4.480 -0.000 0.000 0.273 476 M C -1.038 174.847 176.300 -0.692 0.000 0.904 476 M CA -0.911 54.078 55.300 -0.519 0.000 0.963 476 M CB 2.141 34.490 32.600 -0.418 0.000 1.707 476 M HN 0.138 nan 8.290 nan 0.000 0.427 477 V N 4.154 123.633 119.914 -0.725 0.000 2.407 477 V HA 0.574 4.693 4.120 -0.000 0.000 0.278 477 V C -1.313 174.270 176.094 -0.851 0.000 1.037 477 V CA -0.133 61.761 62.300 -0.678 0.000 0.900 477 V CB 0.705 32.196 31.823 -0.554 0.000 0.983 477 V HN 0.594 nan 8.190 nan 0.000 0.459 478 F N 7.097 126.650 119.950 -0.661 0.000 2.404 478 F HA 0.574 5.101 4.527 0.000 0.000 0.354 478 F C -0.169 175.373 175.800 -0.430 0.000 1.122 478 F CA -0.480 57.028 58.000 -0.820 0.000 1.080 478 F CB 0.827 38.856 39.000 -1.617 0.000 1.131 478 F HN 0.457 nan 8.300 nan 0.000 0.471 479 Y N 3.939 124.317 120.300 0.130 0.000 2.335 479 Y HA 0.267 4.817 4.550 -0.000 0.000 0.323 479 Y C -1.300 174.944 175.900 0.573 0.000 1.224 479 Y CA -2.207 56.060 58.100 0.279 0.000 1.241 479 Y CB 0.640 39.204 38.460 0.174 0.000 1.235 479 Y HN 0.374 nan 8.280 nan 0.000 0.492 480 P HA -0.126 nan 4.420 nan 0.000 0.236 480 P C 0.131 177.700 177.300 0.449 0.000 1.172 480 P CA 1.275 64.694 63.100 0.532 0.000 0.759 480 P CB 0.228 32.121 31.700 0.321 0.000 0.843 481 N N -1.119 117.747 118.700 0.277 0.000 2.203 481 N HA 0.101 4.841 4.740 -0.000 0.000 0.207 481 N C 1.217 176.526 175.510 -0.335 0.000 1.130 481 N CA 0.377 53.436 53.050 0.016 0.000 0.861 481 N CB -0.309 38.188 38.487 0.018 0.000 1.005 481 N HN 0.150 nan 8.380 nan 0.000 0.507 482 G N -0.765 107.697 108.800 -0.563 0.000 2.176 482 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.232 482 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.232 482 G C 0.206 175.314 174.900 0.348 0.000 0.986 482 G CA 0.055 44.721 45.100 -0.723 0.000 0.643 482 G HN 0.780 nan 8.290 nan 0.000 0.522 483 A N -0.039 122.979 122.820 0.330 0.000 2.340 483 A HA 0.784 5.104 4.320 -0.000 0.000 0.268 483 A C 0.137 177.942 177.584 0.369 0.000 1.100 483 A CA 0.062 52.280 52.037 0.302 0.000 0.803 483 A CB 0.457 19.469 19.000 0.021 0.000 1.043 483 A HN 0.830 nan 8.150 nan 0.000 0.488 484 I N 1.047 121.734 120.570 0.196 0.000 2.466 484 I HA 0.293 4.463 4.170 -0.000 0.000 0.289 484 I C -0.171 175.779 176.117 -0.278 0.000 1.026 484 I CA -0.150 61.051 61.300 -0.166 0.000 1.078 484 I CB 1.960 39.745 38.000 -0.358 0.000 1.249 484 I HN 0.808 nan 8.210 nan 0.000 0.429 485 E N 6.404 126.346 120.200 -0.430 0.000 2.113 485 E HA 0.443 4.793 4.350 -0.000 0.000 0.273 485 E C -1.533 174.550 176.600 -0.862 0.000 0.924 485 E CA -0.587 55.342 56.400 -0.785 0.000 0.764 485 E CB 1.704 31.013 29.700 -0.652 0.000 1.104 485 E HN 0.353 nan 8.360 nan 0.000 0.406 486 V N 5.886 125.113 119.914 -1.144 0.000 2.364 486 V HA 0.355 4.475 4.120 -0.000 0.000 0.272 486 V C -0.007 175.567 176.094 -0.866 0.000 1.036 486 V CA -0.483 61.160 62.300 -1.095 0.000 0.880 486 V CB 1.155 32.034 31.823 -1.573 0.000 0.991 486 V HN 0.547 nan 8.190 nan 0.000 0.460 487 K N 4.069 124.156 120.400 -0.520 0.000 2.422 487 K HA 0.680 5.000 4.320 -0.000 0.000 0.251 487 K C -1.318 175.180 176.600 -0.171 0.000 0.933 487 K CA -0.786 55.287 56.287 -0.357 0.000 0.798 487 K CB 2.782 35.091 32.500 -0.318 0.000 1.238 487 K HN 0.527 nan 8.250 nan 0.000 0.428 488 L N 2.300 123.403 121.223 -0.199 0.000 2.385 488 L HA 0.490 4.830 4.340 -0.000 0.000 0.273 488 L C -1.220 175.424 176.870 -0.377 0.000 0.990 488 L CA -0.116 54.634 54.840 -0.149 0.000 0.821 488 L CB 1.404 43.495 42.059 0.053 0.000 1.279 488 L HN 0.548 nan 8.230 nan 0.000 0.412 489 H N 3.756 122.714 119.070 -0.187 0.000 2.538 489 H HA 0.773 5.329 4.556 -0.000 0.000 0.353 489 H C -0.756 174.477 175.328 -0.158 0.000 1.109 489 H CA -0.511 55.435 56.048 -0.169 0.000 1.192 489 H CB 2.100 31.760 29.762 -0.170 0.000 1.555 489 H HN 0.910 nan 8.280 nan 0.000 0.518 490 A N 1.904 124.725 122.820 0.001 0.000 2.294 490 A HA 0.672 4.992 4.320 -0.000 0.000 0.330 490 A C 0.133 177.670 177.584 -0.078 0.000 1.133 490 A CA -0.477 51.521 52.037 -0.064 0.000 0.836 490 A CB 1.693 20.624 19.000 -0.115 0.000 1.190 490 A HN 0.670 nan 8.150 nan 0.000 0.492 491 T N -1.332 113.148 114.554 -0.123 0.000 2.722 491 T HA 0.629 4.979 4.350 -0.000 0.000 0.314 491 T C -0.115 174.515 174.700 -0.117 0.000 1.675 491 T CA 0.990 63.035 62.100 -0.092 0.000 1.003 491 T CB 0.530 69.336 68.868 -0.104 0.000 1.602 491 T HN 2.859 nan 8.240 nan 0.000 0.496 492 G N 0.936 109.688 108.800 -0.080 0.000 2.416 492 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.203 492 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.203 492 G C -1.163 173.778 174.900 0.069 0.000 1.227 492 G CA -0.339 44.671 45.100 -0.150 0.000 1.041 492 G HN 0.984 nan 8.290 nan 0.000 0.546 493 Y N 1.228 121.555 120.300 0.045 0.000 2.359 493 Y HA 0.471 5.021 4.550 -0.000 0.000 0.334 493 Y C 1.728 177.681 175.900 0.089 0.000 1.058 493 Y CA -0.639 57.517 58.100 0.094 0.000 1.244 493 Y CB 0.433 39.008 38.460 0.191 0.000 1.187 493 Y HN 0.624 nan 8.280 nan 0.000 0.510 494 I N 0.411 121.133 120.570 0.253 0.000 2.823 494 I HA 0.303 4.473 4.170 -0.000 0.000 0.290 494 I C 0.320 176.513 176.117 0.125 0.000 1.091 494 I CA -0.771 60.628 61.300 0.165 0.000 1.365 494 I CB 0.986 39.075 38.000 0.150 0.000 1.427 494 I HN 0.500 nan 8.210 nan 0.000 0.583 495 S N 3.388 119.116 115.700 0.047 0.000 2.548 495 S HA 0.389 4.859 4.470 -0.000 0.000 0.277 495 S C -0.004 174.636 174.600 0.066 0.000 1.315 495 S CA -0.704 57.491 58.200 -0.008 0.000 1.050 495 S CB 0.877 63.976 63.200 -0.167 0.000 0.918 495 S HN 0.702 nan 8.310 nan 0.000 0.497 496 S N 1.282 117.066 115.700 0.140 0.000 2.664 496 S HA 0.923 5.393 4.470 -0.000 0.000 0.304 496 S C -0.303 174.411 174.600 0.191 0.000 1.099 496 S CA -0.575 57.727 58.200 0.170 0.000 1.003 496 S CB 1.573 64.895 63.200 0.204 0.000 1.092 496 S HN 1.270 nan 8.310 nan 0.000 0.525 497 A N 0.864 123.759 122.820 0.125 0.000 2.539 497 A HA 0.722 5.042 4.320 -0.000 0.000 0.296 497 A C -1.207 176.463 177.584 0.143 0.000 1.073 497 A CA -0.713 51.390 52.037 0.110 0.000 0.700 497 A CB 0.642 19.673 19.000 0.052 0.000 1.296 497 A HN 0.684 nan 8.150 nan 0.000 0.405 498 F N 1.625 121.604 119.950 0.047 0.000 2.578 498 F HA 0.383 4.910 4.527 0.000 0.000 0.381 498 F C 0.198 176.127 175.800 0.215 0.000 1.069 498 F CA -0.354 57.702 58.000 0.092 0.000 1.231 498 F CB 0.535 39.559 39.000 0.039 0.000 1.086 498 F HN 0.483 nan 8.300 nan 0.000 0.564 499 L N 9.961 130.874 121.223 -0.516 0.000 2.325 499 L HA 0.399 4.739 4.340 -0.000 0.000 0.284 499 L C -1.149 175.505 176.870 -0.359 0.000 1.089 499 L CA -0.006 54.630 54.840 -0.341 0.000 0.836 499 L CB -0.475 41.432 42.059 -0.252 0.000 1.184 499 L HN 0.536 nan 8.230 nan 0.000 0.444 500 F N 3.713 123.527 119.950 -0.226 0.000 2.713 500 F HA 0.854 5.381 4.527 -0.000 0.000 0.311 500 F C 0.435 176.248 175.800 0.022 0.000 1.141 500 F CA -0.299 57.653 58.000 -0.081 0.000 0.939 500 F CB 0.304 39.344 39.000 0.067 0.000 1.325 500 F HN 0.860 nan 8.300 nan 0.000 0.453 501 G N 0.995 109.788 108.800 -0.012 0.000 2.614 501 G HA2 0.016 3.976 3.960 -0.000 0.000 0.303 501 G HA3 0.016 3.976 3.960 -0.000 0.000 0.303 501 G C 0.494 175.307 174.900 -0.145 0.000 1.270 501 G CA 0.752 45.798 45.100 -0.090 0.000 0.988 501 G HN 2.125 nan 8.290 nan 0.000 0.551 502 A N 0.431 123.179 122.820 -0.121 0.000 2.810 502 A HA 0.666 4.986 4.320 -0.000 0.000 0.247 502 A C 2.082 179.656 177.584 -0.017 0.000 1.576 502 A CA 1.167 53.170 52.037 -0.058 0.000 1.294 502 A CB -0.960 18.031 19.000 -0.015 0.000 0.976 502 A HN 2.153 nan 8.150 nan 0.000 0.631 503 A N 0.458 123.222 122.820 -0.093 0.000 1.969 503 A HA -0.124 4.196 4.320 -0.000 0.000 0.218 503 A C 2.084 179.679 177.584 0.019 0.000 1.169 503 A CA 1.342 53.364 52.037 -0.025 0.000 0.635 503 A CB -0.244 18.671 19.000 -0.141 0.000 0.810 503 A HN 0.560 nan 8.150 nan 0.000 0.445 504 R N -0.959 119.511 120.500 -0.051 0.000 2.285 504 R HA 0.053 4.393 4.340 -0.000 0.000 0.213 504 R C 2.075 178.299 176.300 -0.127 0.000 1.068 504 R CA 0.864 56.924 56.100 -0.066 0.000 1.004 504 R CB -0.262 30.000 30.300 -0.064 0.000 0.873 504 R HN 0.531 nan 8.270 nan 0.000 0.467 505 R N -0.669 119.688 120.500 -0.238 0.000 2.276 505 R HA -0.049 4.291 4.340 -0.000 0.000 0.203 505 R C 0.163 176.088 176.300 -0.624 0.000 1.017 505 R CA 0.979 56.789 56.100 -0.482 0.000 1.010 505 R CB 0.322 30.198 30.300 -0.707 0.000 0.900 505 R HN 0.245 nan 8.270 nan 0.000 0.469 506 Y N -1.401 118.853 120.300 -0.077 0.000 2.716 506 Y HA 0.445 4.995 4.550 -0.000 0.000 0.260 506 Y C 0.596 176.464 175.900 -0.054 0.000 1.141 506 Y CA 0.042 58.101 58.100 -0.067 0.000 1.168 506 Y CB 1.458 39.870 38.460 -0.080 0.000 1.189 506 Y HN 0.153 nan 8.280 nan 0.000 0.549 507 G N 0.142 108.961 108.800 0.031 0.000 2.278 507 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.265 507 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.265 507 G C -1.768 173.134 174.900 0.003 0.000 1.329 507 G CA -1.146 43.965 45.100 0.018 0.000 1.017 507 G HN -0.015 nan 8.290 nan 0.000 0.472 508 N N 0.466 119.172 118.700 0.010 0.000 2.269 508 N HA 0.438 5.177 4.740 -0.000 0.000 0.304 508 N C -0.426 175.083 175.510 -0.001 0.000 1.072 508 N CA -0.590 52.464 53.050 0.007 0.000 0.802 508 N CB 2.148 40.654 38.487 0.031 0.000 1.348 508 N HN 0.821 nan 8.380 nan 0.000 0.484 509 Q N 1.054 120.844 119.800 -0.017 0.000 2.271 509 Q HA 0.164 4.504 4.340 -0.000 0.000 0.273 509 Q C 0.454 176.443 176.000 -0.020 0.000 1.051 509 Q CA -0.122 55.662 55.803 -0.032 0.000 0.901 509 Q CB 0.561 29.267 28.738 -0.053 0.000 1.174 509 Q HN 0.582 nan 8.270 nan 0.000 0.385 510 V N 0.832 120.734 119.914 -0.021 0.000 3.528 510 V HA 0.595 4.715 4.120 -0.000 0.000 0.294 510 V C 0.426 176.502 176.094 -0.031 0.000 1.404 510 V CA 0.505 62.797 62.300 -0.014 0.000 1.065 510 V CB 0.276 32.095 31.823 -0.007 0.000 0.904 510 V HN 0.701 nan 8.190 nan 0.000 0.435 511 G N 0.679 109.451 108.800 -0.047 0.000 2.554 511 G HA2 0.517 4.477 3.960 -0.000 0.000 0.306 511 G HA3 0.517 4.477 3.960 -0.000 0.000 0.306 511 G C -1.607 173.237 174.900 -0.094 0.000 1.320 511 G CA -0.590 44.474 45.100 -0.059 0.000 0.800 511 G HN 0.422 nan 8.290 nan 0.000 0.481 512 E N 0.630 120.765 120.200 -0.108 0.000 2.217 512 E HA 0.374 4.724 4.350 -0.000 0.000 0.279 512 E C -0.341 176.116 176.600 -0.238 0.000 1.068 512 E CA -0.472 55.770 56.400 -0.263 0.000 0.882 512 E CB 0.177 29.738 29.700 -0.231 0.000 1.039 512 E HN 0.617 nan 8.360 nan 0.000 0.418 513 H N 0.254 119.274 119.070 -0.084 0.000 2.992 513 H HA -0.134 4.422 4.556 0.000 0.000 0.266 513 H C -0.748 174.472 175.328 -0.179 0.000 1.200 513 H CA 1.220 57.146 56.048 -0.203 0.000 1.135 513 H CB -2.079 27.638 29.762 -0.076 0.000 1.282 513 H HN 0.562 nan 8.280 nan 0.000 0.351 514 T N 1.365 115.886 114.554 -0.055 0.000 2.840 514 T HA 0.523 4.873 4.350 -0.000 0.000 0.287 514 T C 0.200 174.879 174.700 -0.034 0.000 0.991 514 T CA -0.700 61.389 62.100 -0.020 0.000 0.964 514 T CB 2.344 71.206 68.868 -0.009 0.000 0.954 514 T HN 0.169 nan 8.240 nan 0.000 0.438 515 L N 2.716 123.931 121.223 -0.012 0.000 2.331 515 L HA 0.840 5.180 4.340 -0.000 0.000 0.275 515 L C 0.349 177.235 176.870 0.025 0.000 1.022 515 L CA -0.096 54.742 54.840 -0.004 0.000 0.812 515 L CB 1.324 43.378 42.059 -0.009 0.000 1.257 515 L HN 0.740 nan 8.230 nan 0.000 0.435 516 G N 4.138 112.953 108.800 0.024 0.000 2.607 516 G HA2 0.528 4.488 3.960 -0.000 0.000 0.332 516 G HA3 0.528 4.488 3.960 -0.000 0.000 0.332 516 G C -2.755 172.178 174.900 0.055 0.000 1.046 516 G CA -1.126 43.996 45.100 0.037 0.000 1.099 516 G HN 0.480 nan 8.290 nan 0.000 0.451 517 P HA 0.152 nan 4.420 nan 0.000 0.271 517 P C 0.557 177.964 177.300 0.179 0.000 1.216 517 P CA -0.397 62.791 63.100 0.147 0.000 0.776 517 P CB 1.133 32.941 31.700 0.180 0.000 0.881 518 V N 3.662 123.629 119.914 0.088 0.000 2.999 518 V HA 0.214 4.334 4.120 -0.000 0.000 0.307 518 V C 0.635 176.676 176.094 -0.089 0.000 1.084 518 V CA 0.492 62.760 62.300 -0.054 0.000 1.155 518 V CB -0.619 31.177 31.823 -0.044 0.000 0.975 518 V HN 0.824 nan 8.190 nan 0.000 0.490 519 H N 0.367 119.201 119.070 -0.393 0.000 3.060 519 H HA 0.465 5.021 4.556 -0.000 0.000 0.330 519 H C -0.926 174.040 175.328 -0.604 0.000 1.305 519 H CA -0.390 55.249 56.048 -0.681 0.000 1.209 519 H CB 1.385 30.278 29.762 -1.448 0.000 1.913 519 H HN 0.704 nan 8.280 nan 0.000 0.534 520 T N -0.013 114.240 114.554 -0.501 0.000 2.859 520 T HA 0.382 4.732 4.350 -0.000 0.000 0.281 520 T C -0.480 173.916 174.700 -0.507 0.000 1.005 520 T CA -0.776 61.045 62.100 -0.464 0.000 1.025 520 T CB 1.653 70.372 68.868 -0.248 0.000 0.977 520 T HN 0.615 nan 8.240 nan 0.000 0.458 521 H N 1.265 120.139 119.070 -0.328 0.000 2.472 521 H HA 0.703 5.259 4.556 -0.000 0.000 0.338 521 H C -0.397 174.955 175.328 0.040 0.000 1.133 521 H CA -0.661 55.317 56.048 -0.116 0.000 1.216 521 H CB 1.908 31.572 29.762 -0.164 0.000 1.497 521 H HN 0.685 nan 8.280 nan 0.000 0.500 522 S N 0.681 116.560 115.700 0.298 0.000 2.541 522 S HA 0.723 5.193 4.470 -0.000 0.000 0.271 522 S C -0.983 173.851 174.600 0.390 0.000 1.133 522 S CA -0.729 57.699 58.200 0.380 0.000 0.876 522 S CB 2.467 65.907 63.200 0.400 0.000 1.105 522 S HN 0.830 nan 8.310 nan 0.000 0.470 523 A N 1.833 124.850 122.820 0.328 0.000 2.455 523 A HA 0.714 5.034 4.320 -0.000 0.000 0.300 523 A C -1.454 176.050 177.584 -0.133 0.000 1.040 523 A CA -0.502 51.545 52.037 0.017 0.000 0.697 523 A CB 1.150 20.208 19.000 0.097 0.000 1.265 523 A HN 0.870 nan 8.150 nan 0.000 0.407 524 H N 1.280 119.875 119.070 -0.791 0.000 2.466 524 H HA 0.567 5.123 4.556 -0.000 0.000 0.338 524 H C -1.653 173.334 175.328 -0.569 0.000 1.091 524 H CA -0.114 55.510 56.048 -0.707 0.000 1.207 524 H CB 1.013 29.981 29.762 -1.323 0.000 1.466 524 H HN 0.660 nan 8.280 nan 0.000 0.493 525 Y N 2.627 122.667 120.300 -0.433 0.000 2.393 525 Y HA 0.176 4.726 4.550 -0.000 0.000 0.341 525 Y C 0.102 175.756 175.900 -0.411 0.000 0.988 525 Y CA -0.809 57.111 58.100 -0.299 0.000 1.078 525 Y CB 1.671 40.094 38.460 -0.062 0.000 1.203 525 Y HN 0.442 nan 8.280 nan 0.000 0.453 526 K N 3.064 123.340 120.400 -0.206 0.000 2.268 526 K HA 0.522 4.842 4.320 -0.000 0.000 0.276 526 K C -1.594 174.768 176.600 -0.396 0.000 1.080 526 K CA -0.351 55.637 56.287 -0.497 0.000 0.910 526 K CB 0.443 32.664 32.500 -0.465 0.000 1.163 526 K HN 0.538 nan 8.250 nan 0.000 0.465 527 V N 4.305 123.948 119.914 -0.452 0.000 2.239 527 V HA 0.051 4.171 4.120 -0.000 0.000 0.267 527 V C -0.347 175.580 176.094 -0.278 0.000 1.056 527 V CA -0.839 61.290 62.300 -0.284 0.000 0.830 527 V CB 0.653 32.336 31.823 -0.233 0.000 1.090 527 V HN 0.720 nan 8.190 nan 0.000 0.459 528 D N 4.663 124.926 120.400 -0.228 0.000 2.508 528 D HA 0.217 4.857 4.640 -0.000 0.000 0.224 528 D C 0.094 176.362 176.300 -0.054 0.000 1.171 528 D CA 0.005 53.924 54.000 -0.134 0.000 1.006 528 D CB 0.181 40.955 40.800 -0.042 0.000 1.073 528 D HN 0.427 nan 8.370 nan 0.000 0.513 529 L N 2.646 123.837 121.223 -0.054 0.000 2.367 529 L HA 0.210 4.549 4.340 -0.000 0.000 0.275 529 L C 0.305 177.186 176.870 0.019 0.000 1.129 529 L CA -0.060 54.767 54.840 -0.022 0.000 0.839 529 L CB 0.782 42.841 42.059 0.001 0.000 1.133 529 L HN 0.166 nan 8.230 nan 0.000 0.453 530 D N 2.831 123.251 120.400 0.033 0.000 2.683 530 D HA 0.157 4.797 4.640 -0.000 0.000 0.309 530 D C -0.336 176.027 176.300 0.104 0.000 1.238 530 D CA -0.188 53.855 54.000 0.073 0.000 0.936 530 D CB 0.961 41.816 40.800 0.090 0.000 1.001 530 D HN 0.047 nan 8.370 nan 0.000 0.505 531 V N 0.857 120.853 119.914 0.137 0.000 2.434 531 V HA 0.241 4.361 4.120 -0.000 0.000 0.281 531 V C 1.694 177.979 176.094 0.320 0.000 1.005 531 V CA 0.493 62.937 62.300 0.241 0.000 1.089 531 V CB 0.318 32.331 31.823 0.315 0.000 0.978 531 V HN 0.737 nan 8.190 nan 0.000 0.474 532 G N 3.476 112.500 108.800 0.375 0.000 2.203 532 G HA2 0.121 4.081 3.960 -0.000 0.000 0.263 532 G HA3 0.121 4.081 3.960 -0.000 0.000 0.263 532 G C 0.775 175.783 174.900 0.181 0.000 1.012 532 G CA 0.332 45.587 45.100 0.257 0.000 0.749 532 G HN 2.221 nan 8.290 nan 0.000 0.512 533 G N -2.587 106.313 108.800 0.167 0.000 2.343 533 G HA2 0.233 4.193 3.960 -0.000 0.000 0.562 533 G HA3 0.233 4.193 3.960 -0.000 0.000 0.562 533 G C 0.291 175.255 174.900 0.107 0.000 1.269 533 G CA -0.003 45.172 45.100 0.125 0.000 1.011 533 G HN 0.990 nan 8.290 nan 0.000 0.498 534 L N 0.724 121.990 121.223 0.071 0.000 2.023 534 L HA 0.249 4.589 4.340 -0.000 0.000 0.205 534 L C 1.798 178.677 176.870 0.015 0.000 1.073 534 L CA 1.850 56.709 54.840 0.031 0.000 0.745 534 L CB -0.600 41.459 42.059 -0.000 0.000 0.900 534 L HN 0.705 nan 8.230 nan 0.000 0.435 535 E N 1.151 121.365 120.200 0.024 0.000 2.341 535 E HA -0.019 4.331 4.350 -0.000 0.000 0.256 535 E C -0.573 176.036 176.600 0.016 0.000 1.125 535 E CA 0.173 56.544 56.400 -0.048 0.000 0.939 535 E CB -0.226 29.491 29.700 0.028 0.000 0.991 535 E HN 0.401 nan 8.360 nan 0.000 0.458 536 N N 3.277 121.889 118.700 -0.147 0.000 2.265 536 N HA 0.407 5.147 4.740 -0.000 0.000 0.300 536 N C -0.947 174.479 175.510 -0.140 0.000 1.148 536 N CA -0.829 52.258 53.050 0.063 0.000 0.772 536 N CB 1.503 40.047 38.487 0.095 0.000 1.434 536 N HN 0.318 nan 8.380 nan 0.000 0.481 537 W N 0.616 121.955 121.300 0.065 0.000 2.804 537 W HA 0.606 5.266 4.660 -0.000 0.000 0.352 537 W C -0.842 175.633 176.519 -0.073 0.000 1.153 537 W CA -0.624 56.693 57.345 -0.048 0.000 1.119 537 W CB 1.524 30.917 29.460 -0.112 0.000 1.448 537 W HN 0.050 nan 8.180 nan 0.000 0.600 538 V N 0.768 120.681 119.914 -0.002 0.000 2.487 538 V HA 0.333 4.453 4.120 -0.000 0.000 0.298 538 V C -1.289 174.627 176.094 -0.296 0.000 1.028 538 V CA -0.551 61.708 62.300 -0.067 0.000 0.860 538 V CB 1.444 33.258 31.823 -0.014 0.000 0.991 538 V HN 0.416 nan 8.190 nan 0.000 0.427 539 W N 2.522 123.666 121.300 -0.259 0.000 2.632 539 W HA 0.762 5.422 4.660 -0.000 0.000 0.328 539 W C -0.035 176.368 176.519 -0.193 0.000 1.044 539 W CA -0.588 56.557 57.345 -0.333 0.000 1.225 539 W CB 2.019 31.005 29.460 -0.789 0.000 1.396 539 W HN 0.619 nan 8.180 nan 0.000 0.499 540 A N 3.064 126.026 122.820 0.236 0.000 2.267 540 A HA 0.606 4.926 4.320 -0.000 0.000 0.315 540 A C -0.652 177.079 177.584 0.244 0.000 1.297 540 A CA -0.576 51.584 52.037 0.205 0.000 0.865 540 A CB 0.448 19.556 19.000 0.179 0.000 1.165 540 A HN 0.654 nan 8.150 nan 0.000 0.513 541 E N 1.766 122.117 120.200 0.251 0.000 2.199 541 E HA 0.522 4.872 4.350 -0.000 0.000 0.269 541 E C -1.347 175.340 176.600 0.146 0.000 0.899 541 E CA -0.670 55.855 56.400 0.209 0.000 0.772 541 E CB 2.279 32.121 29.700 0.237 0.000 1.155 541 E HN 0.703 nan 8.360 nan 0.000 0.408 542 D N 1.178 121.621 120.400 0.071 0.000 2.759 542 D HA 0.367 5.007 4.640 -0.000 0.000 0.321 542 D C -1.193 175.092 176.300 -0.026 0.000 1.267 542 D CA -0.515 53.510 54.000 0.042 0.000 0.933 542 D CB 1.662 42.488 40.800 0.042 0.000 1.431 542 D HN 0.412 nan 8.370 nan 0.000 0.504 543 M N -0.014 119.555 119.600 -0.051 0.000 2.705 543 M HA 0.900 5.380 4.480 -0.000 0.000 0.311 543 M C -0.868 175.339 176.300 -0.156 0.000 1.214 543 M CA -0.701 54.516 55.300 -0.139 0.000 0.920 543 M CB 2.362 34.850 32.600 -0.186 0.000 1.687 543 M HN 0.280 nan 8.290 nan 0.000 0.481 544 A N 1.078 123.738 122.820 -0.268 0.000 2.604 544 A HA 0.817 5.137 4.320 -0.000 0.000 0.295 544 A C -2.030 175.336 177.584 -0.362 0.000 1.067 544 A CA -0.678 51.235 52.037 -0.206 0.000 0.683 544 A CB 1.220 20.182 19.000 -0.063 0.000 1.281 544 A HN 0.790 nan 8.150 nan 0.000 0.407 545 F N 0.767 120.724 119.950 0.012 0.000 2.458 545 F HA 0.599 5.126 4.527 -0.000 0.000 0.336 545 F C -0.007 175.798 175.800 0.008 0.000 1.114 545 F CA -0.581 57.424 58.000 0.008 0.000 0.987 545 F CB 2.423 41.427 39.000 0.007 0.000 1.130 545 F HN 0.284 nan 8.300 nan 0.000 0.458 546 V N 4.880 124.900 119.914 0.177 0.000 2.443 546 V HA 0.336 4.456 4.120 -0.000 0.000 0.293 546 V C -2.268 173.877 176.094 0.086 0.000 1.021 546 V CA -2.108 60.253 62.300 0.103 0.000 0.848 546 V CB 1.753 33.610 31.823 0.056 0.000 0.998 546 V HN 0.467 nan 8.190 nan 0.000 0.424 547 P HA 0.163 nan 4.420 nan 0.000 0.260 547 P C -0.323 176.987 177.300 0.017 0.000 1.207 547 P CA 0.430 63.551 63.100 0.034 0.000 0.780 547 P CB 0.310 32.021 31.700 0.020 0.000 0.789 548 T N 1.972 116.530 114.554 0.007 0.000 2.893 548 T HA 0.550 4.900 4.350 -0.000 0.000 0.293 548 T C -0.088 174.586 174.700 -0.043 0.000 1.027 548 T CA -0.490 61.603 62.100 -0.012 0.000 0.988 548 T CB 1.823 70.689 68.868 -0.003 0.000 1.043 548 T HN 0.366 nan 8.240 nan 0.000 0.461 549 A N 2.311 125.098 122.820 -0.055 0.000 2.498 549 A HA 0.514 4.834 4.320 -0.000 0.000 0.239 549 A C 0.144 177.636 177.584 -0.153 0.000 1.068 549 A CA -0.264 51.720 52.037 -0.089 0.000 0.766 549 A CB -0.429 18.526 19.000 -0.075 0.000 1.003 549 A HN 0.789 nan 8.150 nan 0.000 0.497 550 I N 4.110 124.531 120.570 -0.248 0.000 2.517 550 I HA 0.136 4.306 4.170 -0.000 0.000 0.285 550 I C -1.353 174.500 176.117 -0.440 0.000 1.106 550 I CA -1.073 59.917 61.300 -0.517 0.000 1.402 550 I CB 1.119 38.634 38.000 -0.809 0.000 1.399 550 I HN 0.511 nan 8.210 nan 0.000 0.535 551 P HA -0.182 nan 4.420 nan 0.000 0.216 551 P C 0.819 178.153 177.300 0.058 0.000 1.150 551 P CA 1.486 64.564 63.100 -0.037 0.000 0.843 551 P CB -0.047 31.739 31.700 0.144 0.000 0.787 552 W N -2.370 118.945 121.300 0.025 0.000 3.278 552 W HA 0.534 5.194 4.660 -0.000 0.000 0.308 552 W C 0.000 176.543 176.519 0.040 0.000 1.253 552 W CA -0.182 57.178 57.345 0.025 0.000 1.759 552 W CB -0.276 29.194 29.460 0.017 0.000 1.093 552 W HN -0.190 nan 8.180 nan 0.000 0.648 553 S N 0.894 116.450 115.700 -0.240 0.000 2.592 553 S HA 0.235 4.705 4.470 -0.000 0.000 0.151 553 S C -1.892 172.644 174.600 -0.107 0.000 1.280 553 S CA -0.752 57.386 58.200 -0.103 0.000 1.187 553 S CB 0.304 63.466 63.200 -0.063 0.000 1.471 553 S HN -0.226 nan 8.310 nan 0.000 0.409 554 P HA -0.139 nan 4.420 nan 0.000 0.217 554 P C 0.785 178.018 177.300 -0.112 0.000 1.148 554 P CA 1.326 64.375 63.100 -0.086 0.000 0.834 554 P CB 0.117 31.785 31.700 -0.053 0.000 0.783 555 E N -2.369 117.736 120.200 -0.157 0.000 2.347 555 E HA -0.099 4.250 4.350 -0.000 0.000 0.196 555 E C 0.750 177.119 176.600 -0.385 0.000 1.008 555 E CA 0.849 57.080 56.400 -0.282 0.000 0.852 555 E CB -0.571 28.901 29.700 -0.380 0.000 0.783 555 E HN 0.470 nan 8.360 nan 0.000 0.505 556 H N 0.186 119.194 119.070 -0.105 0.000 2.567 556 H HA 0.441 4.997 4.556 -0.000 0.000 0.345 556 H C -0.112 175.137 175.328 -0.131 0.000 1.169 556 H CA -0.509 55.472 56.048 -0.111 0.000 1.227 556 H CB 1.107 30.793 29.762 -0.128 0.000 1.607 556 H HN 0.003 nan 8.280 nan 0.000 0.534 557 Q N 0.935 120.757 119.800 0.036 0.000 2.413 557 Q HA 0.534 4.874 4.340 -0.000 0.000 0.276 557 Q C -0.857 175.125 176.000 -0.030 0.000 1.099 557 Q CA -0.865 54.925 55.803 -0.023 0.000 0.814 557 Q CB 3.450 32.178 28.738 -0.017 0.000 1.379 557 Q HN 0.483 nan 8.270 nan 0.000 0.436 558 I N 1.174 121.721 120.570 -0.037 0.000 2.534 558 I HA 0.149 4.319 4.170 -0.000 0.000 0.288 558 I C -0.920 175.211 176.117 0.024 0.000 1.077 558 I CA -0.642 60.649 61.300 -0.016 0.000 1.051 558 I CB 1.713 39.693 38.000 -0.033 0.000 1.234 558 I HN 0.468 nan 8.210 nan 0.000 0.425 559 Q N 6.242 126.064 119.800 0.037 0.000 2.337 559 Q HA 0.068 4.408 4.340 -0.000 0.000 0.255 559 Q C -0.392 175.756 176.000 0.246 0.000 1.205 559 Q CA 0.084 55.946 55.803 0.099 0.000 0.902 559 Q CB 0.161 28.880 28.738 -0.032 0.000 1.433 559 Q HN 0.390 nan 8.270 nan 0.000 0.471 560 R N 2.486 123.102 120.500 0.193 0.000 2.248 560 R HA 0.125 4.465 4.340 -0.000 0.000 0.337 560 R C -0.458 175.911 176.300 0.115 0.000 1.085 560 R CA -0.395 55.791 56.100 0.143 0.000 0.934 560 R CB -0.085 30.257 30.300 0.069 0.000 1.034 560 R HN 0.376 nan 8.270 nan 0.000 0.465 561 L N 4.540 125.801 121.223 0.063 0.000 2.455 561 L HA 0.171 4.511 4.340 -0.000 0.000 0.272 561 L C -0.409 176.349 176.870 -0.187 0.000 1.174 561 L CA 0.901 55.573 54.840 -0.280 0.000 0.869 561 L CB 0.471 42.380 42.059 -0.250 0.000 1.130 561 L HN 0.796 nan 8.230 nan 0.000 0.474 562 Q N 3.087 122.743 119.800 -0.239 0.000 2.590 562 Q HA 0.661 5.001 4.340 -0.000 0.000 0.295 562 Q C -1.759 174.157 176.000 -0.139 0.000 0.973 562 Q CA -1.191 54.530 55.803 -0.137 0.000 0.768 562 Q CB 1.516 30.210 28.738 -0.074 0.000 1.479 562 Q HN 0.342 nan 8.270 nan 0.000 0.419 563 V N 1.459 121.318 119.914 -0.092 0.000 2.481 563 V HA 0.539 4.659 4.120 -0.000 0.000 0.286 563 V C 0.049 176.126 176.094 -0.030 0.000 1.042 563 V CA -0.194 62.060 62.300 -0.077 0.000 0.928 563 V CB 1.233 33.011 31.823 -0.076 0.000 0.986 563 V HN 0.913 nan 8.190 nan 0.000 0.462 564 T N 2.869 117.418 114.554 -0.008 0.000 2.797 564 T HA 0.744 5.094 4.350 -0.000 0.000 0.279 564 T C -0.483 174.270 174.700 0.088 0.000 0.991 564 T CA -0.906 61.218 62.100 0.039 0.000 0.979 564 T CB 1.277 70.170 68.868 0.041 0.000 0.943 564 T HN 0.644 nan 8.240 nan 0.000 0.444 565 R N 1.902 122.480 120.500 0.130 0.000 2.686 565 R HA 0.708 5.048 4.340 -0.000 0.000 0.286 565 R C -0.849 175.629 176.300 0.297 0.000 0.969 565 R CA -1.148 55.090 56.100 0.230 0.000 0.898 565 R CB 1.840 32.255 30.300 0.193 0.000 1.183 565 R HN 0.459 nan 8.270 nan 0.000 0.456 566 K N 2.359 122.992 120.400 0.389 0.000 2.651 566 K HA 0.065 4.385 4.320 -0.000 0.000 0.259 566 K C -1.493 175.178 176.600 0.119 0.000 1.017 566 K CA -0.415 56.022 56.287 0.250 0.000 0.897 566 K CB 2.176 34.767 32.500 0.152 0.000 1.262 566 K HN 0.677 nan 8.250 nan 0.000 0.460 567 Q N 4.969 124.646 119.800 -0.205 0.000 2.296 567 Q HA 0.107 4.447 4.340 -0.000 0.000 0.263 567 Q C -0.502 175.318 176.000 -0.300 0.000 1.026 567 Q CA -0.496 54.871 55.803 -0.727 0.000 0.912 567 Q CB 0.520 28.584 28.738 -1.123 0.000 1.198 567 Q HN 0.342 nan 8.270 nan 0.000 0.407 568 L N 4.272 125.362 121.223 -0.221 0.000 2.426 568 L HA 0.005 4.345 4.340 -0.000 0.000 0.271 568 L C 1.175 177.983 176.870 -0.103 0.000 1.169 568 L CA 0.816 55.597 54.840 -0.098 0.000 0.836 568 L CB 0.811 42.847 42.059 -0.038 0.000 1.112 568 L HN 0.739 nan 8.230 nan 0.000 0.465 569 E N 0.230 120.387 120.200 -0.071 0.000 2.332 569 E HA 0.112 4.462 4.350 -0.000 0.000 0.202 569 E C 0.369 176.929 176.600 -0.067 0.000 0.877 569 E CA 0.611 56.976 56.400 -0.059 0.000 0.979 569 E CB 0.500 30.177 29.700 -0.037 0.000 0.969 569 E HN 0.750 nan 8.360 nan 0.000 0.495 570 T N -2.017 112.495 114.554 -0.070 0.000 2.907 570 T HA 0.368 4.718 4.350 -0.000 0.000 0.290 570 T C 0.902 175.546 174.700 -0.094 0.000 1.066 570 T CA -0.712 61.343 62.100 -0.076 0.000 1.012 570 T CB 2.218 71.048 68.868 -0.063 0.000 1.184 570 T HN -0.212 nan 8.240 nan 0.000 0.522 571 E N 0.347 120.491 120.200 -0.094 0.000 2.118 571 E HA -0.187 4.163 4.350 -0.000 0.000 0.195 571 E C 1.664 178.167 176.600 -0.161 0.000 0.992 571 E CA 1.351 57.684 56.400 -0.112 0.000 0.804 571 E CB -0.103 29.539 29.700 -0.096 0.000 0.741 571 E HN 0.686 nan 8.360 nan 0.000 0.458 572 E N 0.942 121.058 120.200 -0.139 0.000 2.153 572 E HA -0.170 4.180 4.350 -0.000 0.000 0.194 572 E C 1.894 178.382 176.600 -0.187 0.000 0.988 572 E CA 0.994 57.305 56.400 -0.147 0.000 0.811 572 E CB -0.019 29.627 29.700 -0.090 0.000 0.746 572 E HN 0.308 nan 8.360 nan 0.000 0.466 573 Q N -0.993 118.702 119.800 -0.174 0.000 2.311 573 Q HA 0.089 4.429 4.340 -0.000 0.000 0.203 573 Q C 1.278 177.033 176.000 -0.409 0.000 0.954 573 Q CA 1.054 56.745 55.803 -0.187 0.000 0.885 573 Q CB 0.265 28.950 28.738 -0.089 0.000 0.963 573 Q HN 0.202 nan 8.270 nan 0.000 0.471 574 A N 0.331 122.891 122.820 -0.434 0.000 2.423 574 A HA 0.478 4.798 4.320 -0.000 0.000 0.246 574 A C 0.597 177.738 177.584 -0.737 0.000 1.278 574 A CA -0.096 51.588 52.037 -0.589 0.000 0.903 574 A CB 0.397 19.292 19.000 -0.176 0.000 0.997 574 A HN 0.166 nan 8.150 nan 0.000 0.510 575 A N 0.525 122.918 122.820 -0.711 0.000 2.690 575 A HA 0.646 4.966 4.320 -0.000 0.000 0.342 575 A C -0.825 176.560 177.584 -0.331 0.000 1.410 575 A CA -0.413 51.295 52.037 -0.548 0.000 0.958 575 A CB -0.690 17.945 19.000 -0.608 0.000 1.153 575 A HN 0.249 nan 8.150 nan 0.000 0.497 576 F N 2.549 122.593 119.950 0.158 0.000 2.424 576 F HA 0.385 4.912 4.527 0.000 0.000 0.356 576 F C -2.084 173.903 175.800 0.312 0.000 1.110 576 F CA -2.512 55.609 58.000 0.203 0.000 1.161 576 F CB 0.684 39.766 39.000 0.137 0.000 1.115 576 F HN 0.319 nan 8.300 nan 0.000 0.507 577 P HA -0.032 nan 4.420 nan 0.000 0.265 577 P C -0.281 177.133 177.300 0.190 0.000 1.193 577 P CA -0.198 63.048 63.100 0.244 0.000 0.765 577 P CB 0.607 32.396 31.700 0.148 0.000 0.823 578 L N 3.345 124.636 121.223 0.114 0.000 2.513 578 L HA 0.275 4.615 4.340 -0.000 0.000 0.272 578 L C 1.450 178.361 176.870 0.068 0.000 1.187 578 L CA 1.967 56.867 54.840 0.100 0.000 0.895 578 L CB -0.748 41.350 42.059 0.064 0.000 1.147 578 L HN 0.787 nan 8.230 nan 0.000 0.483 579 G N 2.442 111.285 108.800 0.072 0.000 2.308 579 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.221 579 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.221 579 G C 0.583 175.513 174.900 0.050 0.000 1.032 579 G CA -0.104 45.026 45.100 0.051 0.000 0.623 579 G HN 1.133 nan 8.290 nan 0.000 0.506 580 G N 0.458 109.300 108.800 0.069 0.000 2.616 580 G HA2 0.687 4.647 3.960 -0.000 0.000 0.268 580 G HA3 0.687 4.647 3.960 -0.000 0.000 0.268 580 G C 0.372 175.308 174.900 0.060 0.000 1.213 580 G CA 0.665 45.808 45.100 0.071 0.000 0.926 580 G HN 1.558 nan 8.290 nan 0.000 0.523 581 A N -0.058 122.791 122.820 0.048 0.000 2.331 581 A HA 0.699 5.019 4.320 -0.000 0.000 0.283 581 A C 0.560 178.144 177.584 -0.001 0.000 1.142 581 A CA 0.173 52.220 52.037 0.016 0.000 0.812 581 A CB 0.615 19.625 19.000 0.015 0.000 1.074 581 A HN 1.624 nan 8.150 nan 0.000 0.497 582 S N 1.584 117.227 115.700 -0.095 0.000 2.667 582 S HA 0.811 5.281 4.470 -0.000 0.000 0.292 582 S C -3.131 171.307 174.600 -0.269 0.000 1.126 582 S CA -1.530 56.497 58.200 -0.288 0.000 0.881 582 S CB 0.682 63.518 63.200 -0.607 0.000 1.132 582 S HN 0.438 nan 8.310 nan 0.000 0.492 583 P HA 0.233 nan 4.420 nan 0.000 0.262 583 P C 0.322 177.546 177.300 -0.126 0.000 1.182 583 P CA -0.092 62.913 63.100 -0.159 0.000 0.761 583 P CB 0.309 31.930 31.700 -0.131 0.000 0.795 584 R N 1.749 122.228 120.500 -0.035 0.000 2.148 584 R HA -0.075 4.265 4.340 -0.000 0.000 0.227 584 R C 0.138 176.355 176.300 -0.139 0.000 1.103 584 R CA 1.223 57.290 56.100 -0.056 0.000 0.983 584 R CB -0.149 30.175 30.300 0.040 0.000 0.874 584 R HN 0.550 nan 8.270 nan 0.000 0.451 585 Y N 0.367 120.616 120.300 -0.085 0.000 2.837 585 Y HA 0.274 4.824 4.550 -0.000 0.000 0.356 585 Y C -0.753 175.186 175.900 0.065 0.000 1.035 585 Y CA -0.632 57.417 58.100 -0.085 0.000 1.165 585 Y CB 0.959 39.318 38.460 -0.169 0.000 1.147 585 Y HN -0.049 nan 8.280 nan 0.000 0.628 586 L N 4.465 125.754 121.223 0.110 0.000 2.282 586 L HA 0.566 4.906 4.340 -0.000 0.000 0.288 586 L C -1.286 175.741 176.870 0.262 0.000 1.033 586 L CA -0.589 54.343 54.840 0.153 0.000 0.807 586 L CB 0.362 42.449 42.059 0.048 0.000 1.209 586 L HN 0.419 nan 8.230 nan 0.000 0.423 587 Y N 3.199 123.631 120.300 0.219 0.000 2.544 587 Y HA 0.658 5.207 4.550 -0.000 0.000 0.342 587 Y C -1.773 174.327 175.900 0.333 0.000 1.062 587 Y CA -1.687 56.562 58.100 0.249 0.000 1.023 587 Y CB 0.831 39.450 38.460 0.265 0.000 1.308 587 Y HN 0.326 nan 8.280 nan 0.000 0.457 588 L N 3.712 125.171 121.223 0.394 0.000 2.290 588 L HA 0.765 5.105 4.340 -0.000 0.000 0.284 588 L C 0.181 177.363 176.870 0.521 0.000 1.078 588 L CA -0.193 54.854 54.840 0.345 0.000 0.815 588 L CB 0.924 43.128 42.059 0.243 0.000 1.162 588 L HN 0.913 nan 8.230 nan 0.000 0.435 589 A N 2.199 125.355 122.820 0.560 0.000 2.355 589 A HA 0.802 5.122 4.320 -0.000 0.000 0.324 589 A C 0.085 178.002 177.584 0.555 0.000 1.117 589 A CA -0.342 52.078 52.037 0.638 0.000 0.785 589 A CB 1.271 20.752 19.000 0.802 0.000 1.254 589 A HN 0.712 nan 8.150 nan 0.000 0.453 590 S N 1.262 117.237 115.700 0.459 0.000 2.632 590 S HA 0.256 4.726 4.470 -0.000 0.000 0.267 590 S C 0.940 175.748 174.600 0.346 0.000 1.193 590 S CA 0.065 58.505 58.200 0.400 0.000 1.003 590 S CB 0.348 63.723 63.200 0.292 0.000 1.073 590 S HN 0.715 nan 8.310 nan 0.000 0.553 591 K N -0.029 120.536 120.400 0.275 0.000 2.137 591 K HA 0.036 4.356 4.320 -0.000 0.000 0.202 591 K C 0.330 176.947 176.600 0.027 0.000 1.052 591 K CA 0.525 56.868 56.287 0.093 0.000 0.961 591 K CB -0.808 31.789 32.500 0.162 0.000 0.741 591 K HN 0.700 nan 8.250 nan 0.000 0.452 592 Q N 1.931 121.763 119.800 0.053 0.000 2.364 592 Q HA 0.163 4.503 4.340 -0.000 0.000 0.267 592 Q C -0.420 175.575 176.000 -0.009 0.000 0.999 592 Q CA -0.105 55.698 55.803 0.000 0.000 0.886 592 Q CB 1.051 29.777 28.738 -0.020 0.000 1.243 592 Q HN 0.027 nan 8.270 nan 0.000 0.415 593 S N 1.712 117.385 115.700 -0.045 0.000 2.693 593 S HA 0.251 4.721 4.470 -0.000 0.000 0.276 593 S C 0.117 174.665 174.600 -0.087 0.000 1.192 593 S CA -1.025 57.143 58.200 -0.054 0.000 0.994 593 S CB 0.602 63.754 63.200 -0.079 0.000 1.012 593 S HN 0.742 nan 8.310 nan 0.000 0.550 594 N N 1.236 119.889 118.700 -0.077 0.000 2.322 594 N HA 0.075 4.815 4.740 -0.000 0.000 0.270 594 N C 0.747 176.125 175.510 -0.220 0.000 1.286 594 N CA -0.515 52.457 53.050 -0.130 0.000 0.948 594 N CB 0.082 38.534 38.487 -0.060 0.000 1.164 594 N HN 0.644 nan 8.380 nan 0.000 0.551 595 K N -0.617 119.533 120.400 -0.416 0.000 2.228 595 K HA -0.129 4.191 4.320 -0.000 0.000 0.205 595 K C 0.533 176.718 176.600 -0.693 0.000 1.045 595 K CA 1.384 57.256 56.287 -0.692 0.000 0.931 595 K CB -0.169 31.674 32.500 -1.095 0.000 0.727 595 K HN 0.691 nan 8.250 nan 0.000 0.458 596 W N -0.451 120.827 121.300 -0.035 0.000 3.220 596 W HA 0.278 4.938 4.660 0.000 0.000 0.328 596 W C 0.988 177.438 176.519 -0.116 0.000 1.205 596 W CA -0.101 57.223 57.345 -0.034 0.000 1.773 596 W CB 0.729 30.209 29.460 0.033 0.000 1.086 596 W HN 0.263 nan 8.180 nan 0.000 0.622 597 G N 0.343 109.135 108.800 -0.014 0.000 2.141 597 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.242 597 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.242 597 G C -0.080 174.664 174.900 -0.260 0.000 0.982 597 G CA -0.399 44.616 45.100 -0.142 0.000 0.662 597 G HN 0.394 nan 8.290 nan 0.000 0.527 598 H N 0.618 119.656 119.070 -0.053 0.000 2.489 598 H HA 0.329 4.886 4.556 0.000 0.000 0.322 598 H C -2.371 172.885 175.328 -0.120 0.000 1.091 598 H CA -1.821 54.151 56.048 -0.127 0.000 1.291 598 H CB 1.535 31.188 29.762 -0.182 0.000 1.436 598 H HN 0.022 nan 8.280 nan 0.000 0.480 599 P HA -0.046 nan 4.420 nan 0.000 0.256 599 P C -0.102 177.274 177.300 0.128 0.000 1.173 599 P CA 0.367 63.502 63.100 0.060 0.000 0.768 599 P CB 0.163 31.892 31.700 0.047 0.000 0.758 600 R N 2.891 123.464 120.500 0.123 0.000 2.446 600 R HA 0.424 4.764 4.340 -0.000 0.000 0.314 600 R C 0.959 177.502 176.300 0.405 0.000 1.003 600 R CA 0.286 56.484 56.100 0.165 0.000 1.018 600 R CB 0.036 30.342 30.300 0.010 0.000 0.945 600 R HN 0.567 nan 8.270 nan 0.000 0.419 601 G N 1.909 110.966 108.800 0.428 0.000 2.704 601 G HA2 0.402 4.362 3.960 -0.000 0.000 0.293 601 G HA3 0.402 4.362 3.960 -0.000 0.000 0.293 601 G C -1.981 173.137 174.900 0.364 0.000 1.421 601 G CA -0.507 44.912 45.100 0.531 0.000 0.870 601 G HN 0.357 nan 8.290 nan 0.000 0.492 602 Y N 0.549 120.974 120.300 0.207 0.000 2.335 602 Y HA 0.549 5.099 4.550 -0.000 0.000 0.338 602 Y C 0.859 176.881 175.900 0.203 0.000 0.977 602 Y CA -0.721 57.432 58.100 0.089 0.000 1.114 602 Y CB 1.738 40.167 38.460 -0.051 0.000 1.182 602 Y HN 0.717 nan 8.280 nan 0.000 0.463 603 R N 3.396 124.010 120.500 0.190 0.000 2.486 603 R HA 0.718 5.058 4.340 -0.000 0.000 0.286 603 R C -1.572 174.808 176.300 0.134 0.000 0.999 603 R CA -0.472 55.740 56.100 0.187 0.000 0.993 603 R CB 0.855 31.164 30.300 0.015 0.000 1.084 603 R HN 0.631 nan 8.270 nan 0.000 0.487 604 I N 2.688 123.330 120.570 0.120 0.000 2.307 604 I HA 0.190 4.360 4.170 -0.000 0.000 0.289 604 I C -0.253 175.888 176.117 0.040 0.000 1.021 604 I CA -0.379 60.977 61.300 0.093 0.000 1.224 604 I CB 1.521 39.550 38.000 0.048 0.000 1.376 604 I HN 0.619 nan 8.210 nan 0.000 0.470 605 Q N 5.725 125.573 119.800 0.080 0.000 2.425 605 Q HA 0.269 4.609 4.340 -0.000 0.000 0.254 605 Q C -0.369 175.704 176.000 0.121 0.000 1.032 605 Q CA -0.662 55.161 55.803 0.035 0.000 0.798 605 Q CB 1.212 29.945 28.738 -0.009 0.000 1.210 605 Q HN 0.736 nan 8.270 nan 0.000 0.491 606 T N 0.006 114.601 114.554 0.068 0.000 2.737 606 T HA 0.376 4.726 4.350 -0.000 0.000 0.296 606 T C -0.048 174.698 174.700 0.076 0.000 0.922 606 T CA -0.618 61.545 62.100 0.105 0.000 1.079 606 T CB 0.738 69.647 68.868 0.069 0.000 0.892 606 T HN 0.225 nan 8.240 nan 0.000 0.514 607 V N 4.782 124.755 119.914 0.099 0.000 2.311 607 V HA 0.687 4.807 4.120 -0.000 0.000 0.275 607 V C 0.258 176.382 176.094 0.050 0.000 1.022 607 V CA -0.459 61.865 62.300 0.039 0.000 0.830 607 V CB 0.133 31.981 31.823 0.040 0.000 1.012 607 V HN 1.231 nan 8.190 nan 0.000 0.452 608 S N 3.945 119.650 115.700 0.007 0.000 2.552 608 S HA 0.655 5.124 4.470 -0.000 0.000 0.272 608 S C -1.115 173.480 174.600 -0.008 0.000 1.150 608 S CA -0.671 57.589 58.200 0.100 0.000 0.849 608 S CB 1.311 64.621 63.200 0.184 0.000 1.113 608 S HN 0.204 nan 8.310 nan 0.000 0.458 609 F N 2.313 122.326 119.950 0.104 0.000 2.560 609 F HA 0.607 5.134 4.527 0.000 0.000 0.338 609 F C 1.281 177.175 175.800 0.157 0.000 1.201 609 F CA -0.220 57.847 58.000 0.112 0.000 1.291 609 F CB 0.004 39.070 39.000 0.110 0.000 1.627 609 F HN 0.907 nan 8.300 nan 0.000 0.588 610 A N 0.842 123.795 122.820 0.222 0.000 2.565 610 A HA 0.302 4.622 4.320 -0.000 0.000 0.237 610 A C 1.798 179.486 177.584 0.173 0.000 1.053 610 A CA 0.618 52.778 52.037 0.205 0.000 0.755 610 A CB -0.053 19.035 19.000 0.146 0.000 0.980 610 A HN 0.801 nan 8.150 nan 0.000 0.506 611 G N 1.661 110.546 108.800 0.142 0.000 2.529 611 G HA2 0.338 4.298 3.960 -0.000 0.000 0.219 611 G HA3 0.338 4.298 3.960 -0.000 0.000 0.219 611 G C 1.085 176.003 174.900 0.030 0.000 1.177 611 G CA 1.023 46.158 45.100 0.058 0.000 0.773 611 G HN 2.490 nan 8.290 nan 0.000 0.573 612 G N -0.209 108.605 108.800 0.024 0.000 3.305 612 G HA2 0.254 4.214 3.960 -0.000 0.000 0.649 612 G HA3 0.254 4.214 3.960 -0.000 0.000 0.649 612 G C -2.536 172.351 174.900 -0.022 0.000 1.255 612 G CA -0.364 44.738 45.100 0.003 0.000 1.137 612 G HN 0.438 nan 8.290 nan 0.000 0.535 613 P HA 0.410 nan 4.420 nan 0.000 0.268 613 P C 0.394 177.660 177.300 -0.056 0.000 1.204 613 P CA -0.436 62.626 63.100 -0.064 0.000 0.768 613 P CB 0.932 32.576 31.700 -0.092 0.000 0.842 614 M N 5.496 125.072 119.600 -0.040 0.000 2.269 614 M HA 0.197 4.677 4.480 -0.000 0.000 0.350 614 M C -2.266 173.989 176.300 -0.074 0.000 1.429 614 M CA -1.375 53.914 55.300 -0.018 0.000 1.063 614 M CB -0.617 32.042 32.600 0.098 0.000 1.841 614 M HN 0.144 nan 8.290 nan 0.000 0.455 615 P HA -0.035 nan 4.420 nan 0.000 0.264 615 P C -0.549 176.692 177.300 -0.099 0.000 1.183 615 P CA 0.340 63.399 63.100 -0.069 0.000 0.763 615 P CB 0.308 31.982 31.700 -0.043 0.000 0.807 616 Q N 1.422 121.156 119.800 -0.110 0.000 2.488 616 Q HA -0.093 4.247 4.340 -0.000 0.000 0.211 616 Q C 1.141 177.082 176.000 -0.099 0.000 0.967 616 Q CA 0.510 56.233 55.803 -0.133 0.000 0.926 616 Q CB -0.224 28.439 28.738 -0.126 0.000 0.992 616 Q HN 0.444 nan 8.270 nan 0.000 0.506 617 N N 0.614 119.273 118.700 -0.069 0.000 2.396 617 N HA -0.070 4.670 4.740 -0.000 0.000 0.180 617 N C 0.528 176.015 175.510 -0.038 0.000 1.028 617 N CA 0.386 53.408 53.050 -0.046 0.000 0.893 617 N CB 0.018 38.486 38.487 -0.032 0.000 0.967 617 N HN 0.029 nan 8.380 nan 0.000 0.440 618 S N 2.229 117.899 115.700 -0.050 0.000 2.515 618 S HA 0.066 4.536 4.470 -0.000 0.000 0.285 618 S C -1.518 173.057 174.600 -0.043 0.000 1.265 618 S CA -1.136 57.045 58.200 -0.032 0.000 1.079 618 S CB 0.838 64.013 63.200 -0.041 0.000 0.877 618 S HN 0.132 nan 8.310 nan 0.000 0.493 619 P HA -0.006 nan 4.420 nan 0.000 0.242 619 P C 0.563 177.898 177.300 0.059 0.000 1.197 619 P CA 0.616 63.760 63.100 0.073 0.000 0.765 619 P CB -0.210 31.592 31.700 0.170 0.000 0.936 620 M N -2.401 117.153 119.600 -0.077 0.000 2.260 620 M HA 0.262 4.742 4.480 -0.000 0.000 0.326 620 M C 1.218 177.267 176.300 -0.418 0.000 0.930 620 M CA 0.106 55.252 55.300 -0.256 0.000 1.051 620 M CB 0.054 32.419 32.600 -0.391 0.000 1.748 620 M HN -0.299 nan 8.290 nan 0.000 0.606 621 E N 1.148 121.005 120.200 -0.573 0.000 2.478 621 E HA -0.028 4.322 4.350 -0.000 0.000 0.198 621 E C 1.868 177.827 176.600 -1.069 0.000 1.046 621 E CA 0.746 56.348 56.400 -1.329 0.000 0.870 621 E CB -0.326 28.857 29.700 -0.863 0.000 0.818 621 E HN 0.587 nan 8.360 nan 0.000 0.527 622 R N 0.126 120.290 120.500 -0.560 0.000 2.120 622 R HA -0.033 4.307 4.340 -0.000 0.000 0.234 622 R C 2.112 178.220 176.300 -0.320 0.000 1.123 622 R CA 1.274 57.158 56.100 -0.359 0.000 0.975 622 R CB -0.323 29.856 30.300 -0.203 0.000 0.866 622 R HN 0.380 nan 8.270 nan 0.000 0.446 623 A N 0.668 123.295 122.820 -0.322 0.000 1.969 623 A HA -0.123 4.197 4.320 -0.000 0.000 0.218 623 A C 1.049 178.629 177.584 -0.007 0.000 1.169 623 A CA 0.930 52.903 52.037 -0.106 0.000 0.635 623 A CB -0.237 18.753 19.000 -0.016 0.000 0.810 623 A HN 0.437 nan 8.150 nan 0.000 0.445 624 F N -0.784 119.019 119.950 -0.245 0.000 2.893 624 F HA 0.402 4.929 4.527 0.000 0.000 0.340 624 F C 1.102 176.418 175.800 -0.807 0.000 1.300 624 F CA -0.321 57.336 58.000 -0.571 0.000 1.227 624 F CB -0.733 37.896 39.000 -0.617 0.000 1.044 624 F HN 0.053 nan 8.300 nan 0.000 0.512 625 S N -0.107 115.290 115.700 -0.506 0.000 2.547 625 S HA -0.152 4.318 4.470 -0.000 0.000 0.235 625 S C 1.526 176.010 174.600 -0.194 0.000 0.980 625 S CA 0.363 58.341 58.200 -0.369 0.000 0.941 625 S CB -0.994 62.090 63.200 -0.192 0.000 0.763 625 S HN 0.795 nan 8.310 nan 0.000 0.532 626 W N 1.476 122.658 121.300 -0.197 0.000 2.465 626 W HA 0.228 4.888 4.660 -0.000 0.000 0.268 626 W C 1.536 177.867 176.519 -0.314 0.000 1.242 626 W CA 0.294 57.290 57.345 -0.580 0.000 1.248 626 W CB -1.245 27.275 29.460 -1.566 0.000 1.118 626 W HN 0.410 nan 8.180 nan 0.000 0.587 627 G N 1.239 109.634 108.800 -0.674 0.000 2.776 627 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.209 627 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.209 627 G C 1.753 176.494 174.900 -0.265 0.000 1.145 627 G CA -0.137 44.683 45.100 -0.467 0.000 0.791 627 G HN 0.236 nan 8.290 nan 0.000 0.530 628 R N -1.024 119.238 120.500 -0.397 0.000 2.090 628 R HA 0.051 4.391 4.340 -0.000 0.000 0.228 628 R C -0.175 175.822 176.300 -0.506 0.000 1.110 628 R CA 0.601 56.337 56.100 -0.608 0.000 0.973 628 R CB -0.037 29.591 30.300 -1.120 0.000 0.869 628 R HN 0.478 nan 8.270 nan 0.000 0.440 629 Y N -0.662 119.717 120.300 0.132 0.000 2.393 629 Y HA 0.195 4.745 4.550 -0.000 0.000 0.341 629 Y C 0.997 177.034 175.900 0.229 0.000 0.988 629 Y CA -0.985 57.231 58.100 0.193 0.000 1.078 629 Y CB 1.548 40.153 38.460 0.242 0.000 1.203 629 Y HN -0.242 nan 8.280 nan 0.000 0.453 630 Q N 1.429 121.441 119.800 0.353 0.000 2.311 630 Q HA 0.114 4.454 4.340 -0.000 0.000 0.203 630 Q C -0.898 175.273 176.000 0.286 0.000 0.954 630 Q CA 0.918 56.890 55.803 0.282 0.000 0.885 630 Q CB 0.325 29.183 28.738 0.200 0.000 0.963 630 Q HN 0.633 nan 8.270 nan 0.000 0.471 631 L N -0.589 120.856 121.223 0.370 0.000 2.549 631 L HA 0.767 5.107 4.340 -0.000 0.000 0.259 631 L C -2.146 174.940 176.870 0.359 0.000 0.934 631 L CA -0.391 54.649 54.840 0.334 0.000 0.865 631 L CB 1.900 44.140 42.059 0.301 0.000 1.352 631 L HN -0.081 nan 8.230 nan 0.000 0.410 632 A N 5.216 128.230 122.820 0.324 0.000 2.486 632 A HA 0.895 5.215 4.320 -0.000 0.000 0.300 632 A C -1.668 176.124 177.584 0.348 0.000 1.048 632 A CA -0.487 51.694 52.037 0.240 0.000 0.696 632 A CB 1.481 20.647 19.000 0.276 0.000 1.278 632 A HN 0.506 nan 8.150 nan 0.000 0.405 633 I N 2.598 123.285 120.570 0.194 0.000 2.418 633 I HA 0.543 4.713 4.170 -0.000 0.000 0.287 633 I C 0.240 176.462 176.117 0.174 0.000 1.008 633 I CA -0.108 61.312 61.300 0.200 0.000 1.104 633 I CB 1.172 39.227 38.000 0.091 0.000 1.264 633 I HN 0.842 nan 8.210 nan 0.000 0.438 634 T N 2.190 116.916 114.554 0.286 0.000 2.901 634 T HA 0.493 4.843 4.350 -0.000 0.000 0.293 634 T C -0.314 174.463 174.700 0.128 0.000 1.084 634 T CA -0.874 61.344 62.100 0.197 0.000 1.008 634 T CB 2.045 71.084 68.868 0.284 0.000 1.170 634 T HN 0.490 nan 8.240 nan 0.000 0.509 635 Q N 1.007 120.831 119.800 0.041 0.000 2.330 635 Q HA 0.161 4.501 4.340 -0.000 0.000 0.279 635 Q C 0.295 176.309 176.000 0.022 0.000 1.024 635 Q CA -0.139 55.662 55.803 -0.003 0.000 0.900 635 Q CB 0.808 29.521 28.738 -0.043 0.000 1.221 635 Q HN 0.456 nan 8.270 nan 0.000 0.396 636 R N 2.572 123.075 120.500 0.004 0.000 2.442 636 R HA 0.097 4.437 4.340 -0.000 0.000 0.291 636 R C -0.786 175.502 176.300 -0.021 0.000 1.069 636 R CA 0.472 56.579 56.100 0.011 0.000 1.022 636 R CB 0.464 30.756 30.300 -0.013 0.000 0.976 636 R HN 0.455 nan 8.270 nan 0.000 0.443 637 K N 3.048 123.431 120.400 -0.027 0.000 2.482 637 K HA 0.127 4.447 4.320 -0.000 0.000 0.251 637 K C 0.050 176.637 176.600 -0.021 0.000 0.936 637 K CA -0.851 55.406 56.287 -0.051 0.000 0.791 637 K CB 2.010 34.445 32.500 -0.109 0.000 1.213 637 K HN 0.534 nan 8.250 nan 0.000 0.428 638 E N 0.498 120.695 120.200 -0.005 0.000 2.265 638 E HA -0.109 4.241 4.350 -0.000 0.000 0.196 638 E C 0.812 177.429 176.600 0.028 0.000 0.996 638 E CA 1.400 57.817 56.400 0.028 0.000 0.832 638 E CB 0.131 29.845 29.700 0.023 0.000 0.756 638 E HN 0.523 nan 8.360 nan 0.000 0.491 639 T N 0.823 115.372 114.554 -0.009 0.000 3.129 639 T HA 0.016 4.366 4.350 -0.000 0.000 0.251 639 T C 0.325 175.005 174.700 -0.032 0.000 1.117 639 T CA 0.354 62.449 62.100 -0.009 0.000 1.034 639 T CB 0.067 68.923 68.868 -0.020 0.000 0.968 639 T HN 0.120 nan 8.240 nan 0.000 0.526 640 E N 1.438 121.576 120.200 -0.103 0.000 3.568 640 E HA 0.140 4.490 4.350 -0.000 0.000 0.213 640 E C -1.833 174.804 176.600 0.061 0.000 1.197 640 E CA -1.449 54.803 56.400 -0.247 0.000 1.126 640 E CB 1.137 30.251 29.700 -0.977 0.000 1.285 640 E HN 0.210 nan 8.360 nan 0.000 0.418 641 P HA -0.079 nan 4.420 nan 0.000 0.220 641 P C 0.452 177.994 177.300 0.402 0.000 1.152 641 P CA 0.775 64.040 63.100 0.275 0.000 0.812 641 P CB 0.585 32.429 31.700 0.240 0.000 0.792 642 S N -1.368 114.608 115.700 0.459 0.000 2.588 642 S HA 0.394 4.864 4.470 -0.000 0.000 0.275 642 S C 0.701 175.632 174.600 0.552 0.000 1.130 642 S CA -0.163 58.338 58.200 0.502 0.000 0.855 642 S CB 1.239 64.641 63.200 0.336 0.000 1.116 642 S HN 0.032 nan 8.310 nan 0.000 0.472 643 S N 1.244 117.207 115.700 0.438 0.000 2.556 643 S HA 0.359 4.829 4.470 -0.000 0.000 0.216 643 S C 0.634 175.320 174.600 0.144 0.000 0.970 643 S CA 0.113 58.445 58.200 0.220 0.000 0.912 643 S CB -0.025 63.196 63.200 0.035 0.000 0.790 643 S HN 0.609 nan 8.310 nan 0.000 0.504 644 S N -0.221 115.576 115.700 0.163 0.000 2.794 644 S HA 0.784 5.254 4.470 -0.000 0.000 0.299 644 S C -1.365 173.319 174.600 0.141 0.000 1.179 644 S CA -0.375 57.915 58.200 0.151 0.000 0.838 644 S CB 1.767 65.039 63.200 0.119 0.000 1.206 644 S HN 0.344 nan 8.310 nan 0.000 0.523 645 S N -0.140 115.614 115.700 0.090 0.000 2.556 645 S HA 0.463 4.933 4.470 -0.000 0.000 0.271 645 S C 0.596 175.106 174.600 -0.149 0.000 1.135 645 S CA -0.391 57.819 58.200 0.016 0.000 0.858 645 S CB 1.178 64.436 63.200 0.097 0.000 1.114 645 S HN 0.640 nan 8.310 nan 0.000 0.468 646 V N 2.992 122.642 119.914 -0.441 0.000 2.594 646 V HA -0.067 4.053 4.120 -0.000 0.000 0.253 646 V C 1.371 177.094 176.094 -0.619 0.000 1.069 646 V CA 1.832 63.709 62.300 -0.706 0.000 1.082 646 V CB -1.012 30.003 31.823 -1.348 0.000 0.680 646 V HN 0.808 nan 8.190 nan 0.000 0.469 647 F N 0.086 119.927 119.950 -0.181 0.000 2.765 647 F HA 0.201 4.728 4.527 0.000 0.000 0.302 647 F C 1.959 177.687 175.800 -0.121 0.000 1.111 647 F CA -0.105 57.787 58.000 -0.179 0.000 1.359 647 F CB -0.832 38.042 39.000 -0.211 0.000 1.097 647 F HN 0.128 nan 8.300 nan 0.000 0.577 648 N N 0.485 119.201 118.700 0.027 0.000 2.142 648 N HA -0.172 4.568 4.740 -0.000 0.000 0.186 648 N C 1.976 177.472 175.510 -0.023 0.000 1.023 648 N CA 0.984 54.048 53.050 0.024 0.000 0.852 648 N CB -0.445 38.073 38.487 0.052 0.000 0.998 648 N HN 0.221 nan 8.380 nan 0.000 0.424 649 Q N 1.079 120.842 119.800 -0.062 0.000 2.077 649 Q HA -0.055 4.285 4.340 -0.000 0.000 0.206 649 Q C 0.735 176.689 176.000 -0.077 0.000 0.989 649 Q CA 1.690 57.441 55.803 -0.086 0.000 0.853 649 Q CB -0.305 28.314 28.738 -0.200 0.000 0.907 649 Q HN 0.246 nan 8.270 nan 0.000 0.418 650 N N 0.161 118.839 118.700 -0.037 0.000 2.398 650 N HA 0.039 4.779 4.740 -0.000 0.000 0.188 650 N C -0.785 174.808 175.510 0.138 0.000 1.122 650 N CA 0.606 53.681 53.050 0.042 0.000 0.866 650 N CB 0.537 39.048 38.487 0.041 0.000 0.970 650 N HN 0.227 nan 8.380 nan 0.000 0.462 651 D N -0.869 119.578 120.400 0.078 0.000 3.118 651 D HA 0.132 4.772 4.640 -0.000 0.000 0.259 651 D C -2.163 174.138 176.300 0.002 0.000 1.292 651 D CA -1.153 52.963 54.000 0.194 0.000 0.784 651 D CB 0.947 41.944 40.800 0.328 0.000 1.413 651 D HN -0.037 nan 8.370 nan 0.000 0.583 652 P HA -0.014 nan 4.420 nan 0.000 0.229 652 P C 1.427 178.547 177.300 -0.300 0.000 1.160 652 P CA 0.370 63.253 63.100 -0.361 0.000 0.777 652 P CB 0.048 31.424 31.700 -0.539 0.000 0.814 653 W N 0.781 122.091 121.300 0.016 0.000 2.436 653 W HA 0.047 4.707 4.660 -0.000 0.000 0.284 653 W C 0.173 176.688 176.519 -0.007 0.000 1.225 653 W CA 0.837 58.176 57.345 -0.009 0.000 1.271 653 W CB -1.154 28.295 29.460 -0.018 0.000 1.114 653 W HN -0.032 nan 8.180 nan 0.000 0.559 654 T N 2.272 116.966 114.554 0.233 0.000 3.250 654 T HA 0.198 4.548 4.350 -0.000 0.000 0.391 654 T C -2.485 172.270 174.700 0.091 0.000 1.502 654 T CA -1.044 61.140 62.100 0.140 0.000 1.320 654 T CB 1.571 70.533 68.868 0.156 0.000 1.102 654 T HN -0.280 nan 8.240 nan 0.000 0.610 655 P HA 0.133 nan 4.420 nan 0.000 0.268 655 P C 0.752 178.076 177.300 0.040 0.000 1.204 655 P CA -0.026 63.089 63.100 0.026 0.000 0.768 655 P CB 0.973 32.666 31.700 -0.010 0.000 0.842 656 T N 0.952 115.532 114.554 0.044 0.000 2.857 656 T HA 0.028 4.378 4.350 -0.000 0.000 0.266 656 T C 0.840 175.598 174.700 0.098 0.000 1.048 656 T CA 1.028 63.146 62.100 0.030 0.000 1.139 656 T CB 0.042 68.904 68.868 -0.011 0.000 0.874 656 T HN 0.244 nan 8.240 nan 0.000 0.455 657 V N 2.089 122.064 119.914 0.101 0.000 2.482 657 V HA 0.401 4.521 4.120 -0.000 0.000 0.295 657 V C -1.274 174.843 176.094 0.037 0.000 1.026 657 V CA -1.196 61.173 62.300 0.115 0.000 0.856 657 V CB 1.897 33.825 31.823 0.176 0.000 1.001 657 V HN 0.137 nan 8.190 nan 0.000 0.424 658 D N 3.314 123.694 120.400 -0.034 0.000 2.460 658 D HA 0.233 4.873 4.640 -0.000 0.000 0.232 658 D C 0.640 176.765 176.300 -0.293 0.000 1.079 658 D CA -0.607 53.328 54.000 -0.108 0.000 0.864 658 D CB 1.033 41.777 40.800 -0.093 0.000 1.048 658 D HN 0.344 nan 8.370 nan 0.000 0.523 659 F N 3.593 123.268 119.950 -0.458 0.000 2.087 659 F HA -0.276 4.251 4.527 0.000 0.000 0.299 659 F C 2.207 177.553 175.800 -0.757 0.000 1.100 659 F CA 2.308 59.793 58.000 -0.859 0.000 1.226 659 F CB -0.366 38.347 39.000 -0.478 0.000 0.983 659 F HN 0.396 nan 8.300 nan 0.000 0.479 660 S N -0.559 114.871 115.700 -0.449 0.000 2.465 660 S HA -0.214 4.256 4.470 -0.000 0.000 0.241 660 S C 1.534 175.914 174.600 -0.367 0.000 1.000 660 S CA 1.345 59.330 58.200 -0.359 0.000 0.964 660 S CB -0.813 62.356 63.200 -0.052 0.000 0.763 660 S HN 0.492 nan 8.310 nan 0.000 0.512 661 D N 1.066 121.253 120.400 -0.355 0.000 2.264 661 D HA 0.021 4.661 4.640 -0.000 0.000 0.208 661 D C 1.260 177.546 176.300 -0.024 0.000 0.966 661 D CA 0.580 54.491 54.000 -0.149 0.000 0.864 661 D CB -0.375 40.390 40.800 -0.060 0.000 0.933 661 D HN 0.406 nan 8.370 nan 0.000 0.499 662 F N 0.820 120.536 119.950 -0.389 0.000 2.186 662 F HA 0.044 4.571 4.527 -0.000 0.000 0.299 662 F C 1.330 176.938 175.800 -0.319 0.000 1.090 662 F CA -0.177 57.598 58.000 -0.374 0.000 1.307 662 F CB -0.963 37.685 39.000 -0.587 0.000 1.019 662 F HN -0.088 nan 8.300 nan 0.000 0.489 663 I N 2.998 123.445 120.570 -0.206 0.000 2.329 663 I HA 0.025 4.195 4.170 -0.000 0.000 0.295 663 I C 0.048 176.098 176.117 -0.112 0.000 1.109 663 I CA 0.067 61.256 61.300 -0.185 0.000 1.297 663 I CB -0.160 37.677 38.000 -0.273 0.000 1.433 663 I HN 0.108 nan 8.210 nan 0.000 0.509 664 N N 6.667 125.320 118.700 -0.078 0.000 2.598 664 N HA 0.012 4.752 4.740 -0.000 0.000 0.295 664 N C 0.026 175.506 175.510 -0.051 0.000 1.729 664 N CA -0.561 52.456 53.050 -0.055 0.000 0.877 664 N CB -0.225 38.240 38.487 -0.037 0.000 1.405 664 N HN 0.605 nan 8.380 nan 0.000 0.491 665 N N 0.479 119.142 118.700 -0.060 0.000 2.727 665 N HA -0.198 4.542 4.740 -0.000 0.000 0.249 665 N C -1.109 174.371 175.510 -0.050 0.000 1.048 665 N CA 0.717 53.734 53.050 -0.054 0.000 0.714 665 N CB -0.293 38.169 38.487 -0.043 0.000 0.959 665 N HN 0.612 nan 8.380 nan 0.000 0.544 666 E N -0.005 120.162 120.200 -0.056 0.000 2.283 666 E HA 0.162 4.512 4.350 -0.000 0.000 0.267 666 E C 0.257 176.819 176.600 -0.064 0.000 1.045 666 E CA -0.344 56.023 56.400 -0.055 0.000 0.884 666 E CB 1.110 30.778 29.700 -0.054 0.000 1.106 666 E HN 0.135 nan 8.360 nan 0.000 0.408 667 T N 0.975 115.488 114.554 -0.068 0.000 2.907 667 T HA 0.243 4.593 4.350 -0.000 0.000 0.298 667 T C 0.611 175.243 174.700 -0.113 0.000 1.017 667 T CA -0.278 61.773 62.100 -0.083 0.000 1.118 667 T CB 0.114 68.935 68.868 -0.077 0.000 0.948 667 T HN 0.473 nan 8.240 nan 0.000 0.531 668 I N 2.018 122.509 120.570 -0.132 0.000 3.762 668 I HA 0.616 4.786 4.170 -0.000 0.000 0.333 668 I C 0.388 176.330 176.117 -0.292 0.000 1.566 668 I CA -0.935 60.261 61.300 -0.173 0.000 1.129 668 I CB 0.207 38.137 38.000 -0.117 0.000 1.218 668 I HN 0.489 nan 8.210 nan 0.000 0.456 669 A N 1.605 124.224 122.820 -0.335 0.000 2.322 669 A HA 0.679 4.999 4.320 -0.000 0.000 0.327 669 A C 1.063 178.088 177.584 -0.931 0.000 1.394 669 A CA 0.091 51.782 52.037 -0.577 0.000 0.921 669 A CB -0.280 18.682 19.000 -0.062 0.000 1.153 669 A HN 1.059 nan 8.150 nan 0.000 0.523 670 G N 1.934 109.593 108.800 -1.901 0.000 2.291 670 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.271 670 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.271 670 G C -0.112 174.387 174.900 -0.669 0.000 1.099 670 G CA 0.270 44.394 45.100 -1.626 0.000 0.919 670 G HN 0.646 nan 8.290 nan 0.000 0.496 671 K N -0.506 119.580 120.400 -0.524 0.000 2.378 671 K HA 0.481 4.801 4.320 -0.000 0.000 0.244 671 K C -0.702 175.781 176.600 -0.196 0.000 1.039 671 K CA -1.109 55.012 56.287 -0.275 0.000 0.863 671 K CB 1.029 33.401 32.500 -0.213 0.000 1.326 671 K HN 0.081 nan 8.250 nan 0.000 0.460 672 D N 1.826 122.152 120.400 -0.123 0.000 2.359 672 D HA 0.157 4.797 4.640 -0.000 0.000 0.250 672 D C -0.843 175.417 176.300 -0.067 0.000 1.264 672 D CA -0.200 53.751 54.000 -0.083 0.000 0.911 672 D CB -0.037 40.721 40.800 -0.070 0.000 1.056 672 D HN 0.078 nan 8.370 nan 0.000 0.499 673 L N 3.994 125.182 121.223 -0.058 0.000 2.325 673 L HA 0.438 4.778 4.340 -0.000 0.000 0.279 673 L C -0.151 176.698 176.870 -0.034 0.000 1.054 673 L CA -0.885 53.934 54.840 -0.035 0.000 0.804 673 L CB 1.877 43.916 42.059 -0.034 0.000 1.200 673 L HN 0.162 nan 8.230 nan 0.000 0.436 674 V N 2.366 122.265 119.914 -0.024 0.000 2.495 674 V HA 0.796 4.916 4.120 -0.000 0.000 0.298 674 V C -0.018 175.958 176.094 -0.197 0.000 1.031 674 V CA -0.916 61.287 62.300 -0.163 0.000 0.871 674 V CB 1.691 33.374 31.823 -0.234 0.000 0.988 674 V HN 0.874 nan 8.190 nan 0.000 0.432 675 A N 4.315 126.947 122.820 -0.313 0.000 2.301 675 A HA 0.794 5.114 4.320 -0.000 0.000 0.312 675 A C -1.452 175.868 177.584 -0.441 0.000 1.182 675 A CA -0.390 51.518 52.037 -0.214 0.000 0.826 675 A CB 0.495 19.411 19.000 -0.139 0.000 1.134 675 A HN 0.819 nan 8.150 nan 0.000 0.501 676 W N 1.952 123.237 121.300 -0.025 0.000 2.538 676 W HA 0.551 5.210 4.660 -0.000 0.000 0.322 676 W C -0.851 175.541 176.519 -0.210 0.000 1.028 676 W CA -0.600 56.637 57.345 -0.180 0.000 1.228 676 W CB 1.818 31.290 29.460 0.019 0.000 1.356 676 W HN 0.403 nan 8.180 nan 0.000 0.452 677 V N 3.119 122.901 119.914 -0.220 0.000 2.448 677 V HA 0.527 4.647 4.120 -0.000 0.000 0.295 677 V C -0.109 176.028 176.094 0.072 0.000 1.025 677 V CA -0.748 61.467 62.300 -0.141 0.000 0.859 677 V CB 1.808 33.281 31.823 -0.584 0.000 0.988 677 V HN 0.486 nan 8.190 nan 0.000 0.431 678 T N 4.417 119.145 114.554 0.289 0.000 2.767 678 T HA 0.742 5.092 4.350 -0.000 0.000 0.284 678 T C -0.035 174.870 174.700 0.342 0.000 0.973 678 T CA -0.221 62.140 62.100 0.435 0.000 0.996 678 T CB 1.441 70.637 68.868 0.547 0.000 0.927 678 T HN 0.948 nan 8.240 nan 0.000 0.456 679 A N 2.325 125.370 122.820 0.375 0.000 2.386 679 A HA 1.011 5.331 4.320 -0.000 0.000 0.311 679 A C 0.101 177.899 177.584 0.357 0.000 1.068 679 A CA -0.518 51.718 52.037 0.332 0.000 0.743 679 A CB 1.761 20.955 19.000 0.324 0.000 1.258 679 A HN 1.131 nan 8.150 nan 0.000 0.429 680 G N -0.320 108.693 108.800 0.355 0.000 2.488 680 G HA2 0.769 4.729 3.960 -0.000 0.000 0.301 680 G HA3 0.769 4.729 3.960 -0.000 0.000 0.301 680 G C -1.338 173.871 174.900 0.515 0.000 1.339 680 G CA 0.129 45.476 45.100 0.412 0.000 0.803 680 G HN 2.031 nan 8.290 nan 0.000 0.482 681 F N -1.476 118.586 119.950 0.187 0.000 2.725 681 F HA 0.708 5.235 4.527 -0.000 0.000 0.309 681 F C -1.560 174.298 175.800 0.097 0.000 1.132 681 F CA -1.595 56.498 58.000 0.155 0.000 0.957 681 F CB 1.218 40.294 39.000 0.128 0.000 1.286 681 F HN 0.625 nan 8.300 nan 0.000 0.440 682 L N 3.455 124.716 121.223 0.064 0.000 2.349 682 L HA 0.372 4.712 4.340 -0.000 0.000 0.275 682 L C -1.014 175.834 176.870 -0.038 0.000 1.115 682 L CA -0.048 54.741 54.840 -0.085 0.000 0.820 682 L CB 0.870 42.928 42.059 -0.001 0.000 1.135 682 L HN 1.051 nan 8.230 nan 0.000 0.445 683 H N 5.718 124.554 119.070 -0.391 0.000 2.887 683 H HA 0.400 4.956 4.556 -0.000 0.000 0.300 683 H C -0.777 174.341 175.328 -0.349 0.000 1.038 683 H CA -0.820 55.026 56.048 -0.336 0.000 1.352 683 H CB 1.053 30.462 29.762 -0.588 0.000 1.473 683 H HN 0.578 nan 8.280 nan 0.000 0.503 684 I N 7.752 128.382 120.570 0.099 0.000 2.287 684 I HA 0.202 4.372 4.170 -0.000 0.000 0.290 684 I C -2.223 173.984 176.117 0.150 0.000 1.069 684 I CA -2.040 59.275 61.300 0.026 0.000 1.237 684 I CB 1.021 39.054 38.000 0.055 0.000 1.418 684 I HN 0.445 nan 8.210 nan 0.000 0.481 685 P HA 0.056 nan 4.420 nan 0.000 0.265 685 P C -1.093 176.238 177.300 0.050 0.000 1.193 685 P CA 0.392 63.429 63.100 -0.104 0.000 0.765 685 P CB 0.281 31.897 31.700 -0.139 0.000 0.823 686 H N -0.150 118.978 119.070 0.096 0.000 2.908 686 H HA 0.710 5.266 4.556 -0.000 0.000 0.350 686 H C 1.054 176.416 175.328 0.055 0.000 1.217 686 H CA -1.102 54.982 56.048 0.060 0.000 1.168 686 H CB 0.375 30.171 29.762 0.057 0.000 1.891 686 H HN 0.225 nan 8.280 nan 0.000 0.566 687 A N 0.406 123.321 122.820 0.158 0.000 1.948 687 A HA -0.242 4.078 4.320 -0.000 0.000 0.220 687 A C 1.564 179.196 177.584 0.080 0.000 1.177 687 A CA 2.082 54.169 52.037 0.083 0.000 0.636 687 A CB -0.906 18.136 19.000 0.070 0.000 0.815 687 A HN 0.815 nan 8.150 nan 0.000 0.449 688 E N 0.457 120.756 120.200 0.164 0.000 2.472 688 E HA -0.077 4.273 4.350 -0.000 0.000 0.200 688 E C 0.683 177.313 176.600 0.050 0.000 1.046 688 E CA 0.852 57.336 56.400 0.141 0.000 0.871 688 E CB -0.121 29.731 29.700 0.254 0.000 0.806 688 E HN 0.542 nan 8.360 nan 0.000 0.533 689 D N -0.312 120.060 120.400 -0.047 0.000 2.340 689 D HA 0.007 4.647 4.640 -0.000 0.000 0.220 689 D C -0.006 176.309 176.300 0.023 0.000 1.039 689 D CA 0.348 54.323 54.000 -0.042 0.000 0.866 689 D CB 0.412 41.154 40.800 -0.098 0.000 0.913 689 D HN 0.112 nan 8.370 nan 0.000 0.523 690 I N 2.026 122.606 120.570 0.016 0.000 2.404 690 I HA 0.145 4.315 4.170 -0.000 0.000 0.293 690 I C -1.209 174.914 176.117 0.011 0.000 0.992 690 I CA -2.044 59.259 61.300 0.006 0.000 1.149 690 I CB 1.544 39.536 38.000 -0.014 0.000 1.315 690 I HN -0.264 nan 8.210 nan 0.000 0.446 691 P HA -0.035 nan 4.420 nan 0.000 0.220 691 P C -0.138 177.202 177.300 0.066 0.000 1.152 691 P CA 1.044 64.126 63.100 -0.030 0.000 0.812 691 P CB 0.459 32.132 31.700 -0.045 0.000 0.792 692 N N -0.457 118.328 118.700 0.142 0.000 2.329 692 N HA 0.147 4.886 4.740 -0.000 0.000 0.282 692 N C -0.957 174.621 175.510 0.112 0.000 1.198 692 N CA -0.465 52.716 53.050 0.218 0.000 0.790 692 N CB 1.590 40.267 38.487 0.318 0.000 1.579 692 N HN -0.175 nan 8.380 nan 0.000 0.475 693 T N -1.499 113.118 114.554 0.103 0.000 2.817 693 T HA 0.467 4.817 4.350 -0.000 0.000 0.293 693 T C 0.629 175.342 174.700 0.020 0.000 0.964 693 T CA -0.643 61.494 62.100 0.061 0.000 1.085 693 T CB 0.146 69.073 68.868 0.098 0.000 0.921 693 T HN 0.513 nan 8.240 nan 0.000 0.502 694 V N 1.965 121.883 119.914 0.007 0.000 2.785 694 V HA 0.532 4.652 4.120 -0.000 0.000 0.300 694 V C 1.185 177.253 176.094 -0.045 0.000 1.062 694 V CA -0.361 61.926 62.300 -0.021 0.000 1.029 694 V CB 0.618 32.433 31.823 -0.014 0.000 1.024 694 V HN 1.050 nan 8.190 nan 0.000 0.477 695 T N 0.064 114.574 114.554 -0.073 0.000 3.500 695 T HA 0.234 4.584 4.350 -0.000 0.000 0.244 695 T C 0.200 174.853 174.700 -0.079 0.000 0.962 695 T CA -0.240 61.811 62.100 -0.082 0.000 0.932 695 T CB -0.894 67.859 68.868 -0.192 0.000 1.096 695 T HN 0.529 nan 8.240 nan 0.000 0.617 696 V N 2.107 121.983 119.914 -0.063 0.000 2.508 696 V HA 0.586 4.706 4.120 -0.000 0.000 0.281 696 V C 1.277 177.336 176.094 -0.057 0.000 1.041 696 V CA 1.264 63.530 62.300 -0.057 0.000 1.016 696 V CB -0.058 31.741 31.823 -0.040 0.000 0.984 696 V HN 1.090 nan 8.190 nan 0.000 0.478 697 G N 5.592 114.369 108.800 -0.039 0.000 2.416 697 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.203 697 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.203 697 G C -0.720 174.201 174.900 0.035 0.000 1.227 697 G CA -0.231 44.853 45.100 -0.026 0.000 1.041 697 G HN 0.733 nan 8.290 nan 0.000 0.546 698 N N -0.251 118.482 118.700 0.056 0.000 2.240 698 N HA 0.614 5.354 4.740 -0.000 0.000 0.302 698 N C 0.857 176.337 175.510 -0.050 0.000 1.106 698 N CA -0.233 52.918 53.050 0.169 0.000 0.778 698 N CB 1.980 40.517 38.487 0.083 0.000 1.431 698 N HN 0.893 nan 8.380 nan 0.000 0.479 699 G N 0.043 108.587 108.800 -0.426 0.000 3.224 699 G HA2 0.355 4.315 3.960 -0.000 0.000 0.161 699 G HA3 0.355 4.315 3.960 -0.000 0.000 0.161 699 G C -0.316 174.388 174.900 -0.328 0.000 1.872 699 G CA 0.156 44.915 45.100 -0.570 0.000 1.012 699 G HN 0.465 nan 8.290 nan 0.000 0.504 700 V N -3.467 116.279 119.914 -0.280 0.000 3.040 700 V HA 0.989 5.109 4.120 -0.000 0.000 0.312 700 V C 0.331 176.376 176.094 -0.081 0.000 1.115 700 V CA 0.253 62.515 62.300 -0.063 0.000 0.998 700 V CB 1.058 32.950 31.823 0.115 0.000 1.042 700 V HN 1.819 nan 8.190 nan 0.000 0.433 701 G N 1.525 110.312 108.800 -0.022 0.000 2.564 701 G HA2 0.573 4.533 3.960 -0.000 0.000 0.139 701 G HA3 0.573 4.533 3.960 -0.000 0.000 0.139 701 G C -1.257 173.665 174.900 0.037 0.000 1.147 701 G CA 0.178 45.225 45.100 -0.087 0.000 1.031 701 G HN 2.112 nan 8.290 nan 0.000 0.482 702 F N -2.236 117.532 119.950 -0.304 0.000 2.817 702 F HA 0.838 5.365 4.527 -0.000 0.000 0.317 702 F C -1.987 173.600 175.800 -0.355 0.000 1.168 702 F CA -1.832 56.031 58.000 -0.230 0.000 0.911 702 F CB 1.175 40.086 39.000 -0.148 0.000 1.337 702 F HN 0.501 nan 8.300 nan 0.000 0.464 703 F N 1.736 121.721 119.950 0.059 0.000 2.508 703 F HA 0.698 5.225 4.527 -0.000 0.000 0.325 703 F C -0.731 175.119 175.800 0.083 0.000 1.090 703 F CA -0.935 57.031 58.000 -0.057 0.000 0.945 703 F CB 2.136 41.066 39.000 -0.117 0.000 1.156 703 F HN 0.360 nan 8.300 nan 0.000 0.463 704 L N 5.367 126.765 121.223 0.291 0.000 2.295 704 L HA 0.545 4.885 4.340 -0.000 0.000 0.281 704 L C -0.541 176.481 176.870 0.253 0.000 1.018 704 L CA -0.527 54.492 54.840 0.298 0.000 0.841 704 L CB 0.965 43.199 42.059 0.292 0.000 1.218 704 L HN 0.538 nan 8.230 nan 0.000 0.424 705 R N 3.989 124.530 120.500 0.069 0.000 2.514 705 R HA 0.464 4.804 4.340 -0.000 0.000 0.301 705 R C -2.579 173.423 176.300 -0.497 0.000 0.962 705 R CA -1.964 54.038 56.100 -0.164 0.000 0.882 705 R CB 1.957 32.143 30.300 -0.190 0.000 1.143 705 R HN 0.242 nan 8.270 nan 0.000 0.452 706 P HA -0.039 nan 4.420 nan 0.000 0.271 706 P C -1.356 175.826 177.300 -0.198 0.000 1.233 706 P CA 0.121 62.726 63.100 -0.824 0.000 0.764 706 P CB 0.348 31.851 31.700 -0.327 0.000 0.825 707 Y N 4.781 124.902 120.300 -0.299 0.000 2.526 707 Y HA 0.251 4.801 4.550 -0.000 0.000 0.328 707 Y C 0.498 176.286 175.900 -0.186 0.000 0.995 707 Y CA -0.575 57.386 58.100 -0.232 0.000 1.304 707 Y CB 0.052 38.302 38.460 -0.349 0.000 1.096 707 Y HN 0.395 nan 8.280 nan 0.000 0.499 708 N N 3.402 121.902 118.700 -0.334 0.000 2.741 708 N HA -0.310 4.430 4.740 -0.000 0.000 0.251 708 N C 0.637 176.116 175.510 -0.053 0.000 1.112 708 N CA 1.391 54.297 53.050 -0.239 0.000 0.750 708 N CB -1.691 36.534 38.487 -0.436 0.000 1.119 708 N HN 0.709 nan 8.380 nan 0.000 0.561 709 F N 0.148 119.981 119.950 -0.195 0.000 2.206 709 F HA 0.158 4.685 4.527 -0.000 0.000 0.298 709 F C 0.874 176.419 175.800 -0.424 0.000 1.090 709 F CA 0.968 58.780 58.000 -0.314 0.000 1.323 709 F CB 0.149 38.866 39.000 -0.472 0.000 1.028 709 F HN -0.002 nan 8.300 nan 0.000 0.492 710 F N -0.029 119.970 119.950 0.082 0.000 2.461 710 F HA 0.279 4.806 4.527 -0.000 0.000 0.337 710 F C 1.287 177.097 175.800 0.017 0.000 1.079 710 F CA -0.833 57.176 58.000 0.015 0.000 1.032 710 F CB 0.122 39.186 39.000 0.107 0.000 1.327 710 F HN -0.340 nan 8.300 nan 0.000 0.491 711 D N -0.965 119.575 120.400 0.234 0.000 2.379 711 D HA 0.086 4.726 4.640 -0.000 0.000 0.208 711 D C -0.063 176.448 176.300 0.352 0.000 1.065 711 D CA 0.500 54.608 54.000 0.181 0.000 0.848 711 D CB 0.448 41.208 40.800 -0.067 0.000 0.949 711 D HN 0.605 nan 8.370 nan 0.000 0.509 712 Q N -1.073 118.884 119.800 0.261 0.000 2.907 712 Q HA 0.173 4.513 4.340 -0.000 0.000 0.310 712 Q C -1.004 175.050 176.000 0.089 0.000 0.861 712 Q CA -0.882 55.029 55.803 0.179 0.000 0.769 712 Q CB 1.136 29.968 28.738 0.156 0.000 1.465 712 Q HN -0.117 nan 8.270 nan 0.000 0.449 713 E N 1.532 121.748 120.200 0.027 0.000 2.558 713 E HA 0.100 4.450 4.350 -0.000 0.000 0.255 713 E C -1.913 174.617 176.600 -0.117 0.000 0.968 713 E CA -1.094 55.279 56.400 -0.046 0.000 0.939 713 E CB 0.349 30.034 29.700 -0.024 0.000 0.921 713 E HN 0.252 nan 8.360 nan 0.000 0.477 714 P HA 0.019 nan 4.420 nan 0.000 0.271 714 P C -0.988 176.254 177.300 -0.097 0.000 1.218 714 P CA -0.319 62.590 63.100 -0.318 0.000 0.780 714 P CB 1.090 32.451 31.700 -0.565 0.000 0.901 715 S N 2.412 118.077 115.700 -0.059 0.000 2.652 715 S HA 0.702 5.172 4.470 -0.000 0.000 0.270 715 S C 0.226 174.820 174.600 -0.009 0.000 1.243 715 S CA -0.706 57.480 58.200 -0.022 0.000 0.999 715 S CB 0.397 63.583 63.200 -0.023 0.000 0.973 715 S HN 0.424 nan 8.310 nan 0.000 0.544 716 M N 0.499 120.103 119.600 0.008 0.000 2.716 716 M HA 0.748 5.228 4.480 -0.000 0.000 0.307 716 M C -1.153 175.148 176.300 0.001 0.000 1.223 716 M CA -0.791 54.520 55.300 0.018 0.000 0.871 716 M CB 1.521 34.162 32.600 0.069 0.000 1.739 716 M HN 0.704 nan 8.290 nan 0.000 0.475 717 D N 0.000 120.401 120.400 0.002 0.000 6.856 717 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 717 D CA 0.000 54.001 54.000 0.001 0.000 0.868 717 D CB 0.000 40.782 40.800 -0.030 0.000 0.688 717 D HN 0.000 nan 8.370 nan 0.000 0.683