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 1tu5_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 LPLRRHHSDF LSHYFGGVAQ 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 0.000 175.914 176.000 -0.144 0.000 1.003 57 Q CA 0.000 55.769 55.803 -0.056 0.000 1.022 57 Q CB 0.000 28.710 28.738 -0.047 0.000 1.108 58 L N -2.850 118.207 121.223 -0.277 0.000 2.591 58 L HA 0.334 4.673 4.340 -0.001 0.000 0.228 58 L C 0.361 176.889 176.870 -0.570 0.000 1.133 58 L CA 0.580 55.157 54.840 -0.439 0.000 0.880 58 L CB -0.125 41.604 42.059 -0.550 0.000 1.033 58 L HN 0.225 nan 8.230 nan 0.000 0.450 59 F N 1.404 121.236 119.950 -0.197 0.000 2.704 59 F HA 0.483 5.009 4.527 -0.001 0.000 0.304 59 F C 1.708 177.372 175.800 -0.227 0.000 1.094 59 F CA -0.635 57.156 58.000 -0.349 0.000 1.275 59 F CB -0.131 38.606 39.000 -0.437 0.000 1.073 59 F HN 0.039 nan 8.300 nan 0.000 0.586 60 A N 0.585 123.387 122.820 -0.030 0.000 2.511 60 A HA 0.145 4.464 4.320 -0.001 0.000 0.242 60 A C 0.164 177.754 177.584 0.011 0.000 1.069 60 A CA -0.349 51.660 52.037 -0.047 0.000 0.763 60 A CB -0.129 18.829 19.000 -0.070 0.000 1.001 60 A HN 0.085 nan 8.150 nan 0.000 0.498 61 D N 1.147 121.597 120.400 0.083 0.000 2.382 61 D HA 0.197 4.836 4.640 -0.001 0.000 0.240 61 D C 0.538 176.890 176.300 0.087 0.000 1.146 61 D CA 0.244 54.344 54.000 0.166 0.000 0.897 61 D CB 0.455 41.474 40.800 0.365 0.000 1.197 61 D HN 0.452 nan 8.370 nan 0.000 0.432 62 L N 1.349 122.606 121.223 0.057 0.000 2.514 62 L HA -0.041 4.299 4.340 -0.001 0.000 0.280 62 L C 1.292 178.150 176.870 -0.021 0.000 1.223 62 L CA 0.178 55.016 54.840 -0.003 0.000 0.864 62 L CB 0.095 42.144 42.059 -0.017 0.000 1.118 62 L HN 0.417 nan 8.230 nan 0.000 0.494 63 S N 2.432 118.093 115.700 -0.066 0.000 2.693 63 S HA 0.271 4.740 4.470 -0.001 0.000 0.276 63 S C 0.881 175.361 174.600 -0.200 0.000 1.192 63 S CA -0.781 57.333 58.200 -0.144 0.000 0.994 63 S CB 1.606 64.715 63.200 -0.151 0.000 1.012 63 S HN 0.663 nan 8.310 nan 0.000 0.550 64 R N 0.770 121.060 120.500 -0.350 0.000 2.119 64 R HA -0.206 4.133 4.340 -0.001 0.000 0.246 64 R C 2.201 178.396 176.300 -0.175 0.000 1.146 64 R CA 2.333 58.271 56.100 -0.270 0.000 0.962 64 R CB -0.695 29.410 30.300 -0.325 0.000 0.863 64 R HN 0.920 nan 8.270 nan 0.000 0.442 65 E N 0.023 120.127 120.200 -0.159 0.000 2.051 65 E HA -0.225 4.124 4.350 -0.001 0.000 0.192 65 E C 1.644 178.186 176.600 -0.097 0.000 0.991 65 E CA 1.658 57.991 56.400 -0.112 0.000 0.799 65 E CB -0.011 29.629 29.700 -0.099 0.000 0.748 65 E HN 0.553 nan 8.360 nan 0.000 0.449 66 E N 0.132 120.271 120.200 -0.100 0.000 2.106 66 E HA -0.183 4.166 4.350 -0.001 0.000 0.192 66 E C 2.118 178.669 176.600 -0.082 0.000 0.984 66 E CA 0.539 56.886 56.400 -0.089 0.000 0.806 66 E CB 0.015 29.664 29.700 -0.084 0.000 0.750 66 E HN 0.196 nan 8.360 nan 0.000 0.458 67 L N 0.890 122.057 121.223 -0.093 0.000 2.046 67 L HA -0.159 4.180 4.340 -0.001 0.000 0.208 67 L C 2.333 179.155 176.870 -0.079 0.000 1.077 67 L CA 1.837 56.621 54.840 -0.093 0.000 0.747 67 L CB -1.148 40.833 42.059 -0.131 0.000 0.896 67 L HN 0.127 nan 8.230 nan 0.000 0.432 68 T N -1.285 113.219 114.554 -0.083 0.000 2.708 68 T HA -0.160 4.189 4.350 -0.001 0.000 0.266 68 T C 1.807 176.485 174.700 -0.036 0.000 1.037 68 T CA 1.819 63.881 62.100 -0.063 0.000 1.146 68 T CB -0.233 68.595 68.868 -0.066 0.000 0.865 68 T HN 0.358 nan 8.240 nan 0.000 0.435 69 T N 1.981 116.510 114.554 -0.042 0.000 2.652 69 T HA -0.106 4.243 4.350 -0.001 0.000 0.267 69 T C 2.176 176.881 174.700 0.008 0.000 1.039 69 T CA 1.221 63.304 62.100 -0.027 0.000 1.153 69 T CB -0.678 68.152 68.868 -0.064 0.000 0.863 69 T HN 0.131 nan 8.240 nan 0.000 0.428 70 V N 1.178 121.085 119.914 -0.011 0.000 2.287 70 V HA -0.225 3.894 4.120 -0.001 0.000 0.248 70 V C 2.502 178.653 176.094 0.095 0.000 1.053 70 V CA 1.859 64.180 62.300 0.036 0.000 1.027 70 V CB -0.609 31.216 31.823 0.003 0.000 0.646 70 V HN 0.354 nan 8.190 nan 0.000 0.447 71 M N 0.152 119.773 119.600 0.036 0.000 2.080 71 M HA -0.158 4.321 4.480 -0.001 0.000 0.260 71 M C 2.376 178.703 176.300 0.045 0.000 1.068 71 M CA 1.968 57.283 55.300 0.024 0.000 1.109 71 M CB -0.733 31.856 32.600 -0.018 0.000 1.342 71 M HN 0.313 nan 8.290 nan 0.000 0.405 72 S N -0.462 115.269 115.700 0.052 0.000 2.370 72 S HA -0.164 4.305 4.470 -0.001 0.000 0.226 72 S C 1.807 176.468 174.600 0.101 0.000 1.033 72 S CA 1.508 59.742 58.200 0.058 0.000 1.011 72 S CB -0.714 62.518 63.200 0.054 0.000 0.852 72 S HN 0.584 nan 8.310 nan 0.000 0.457 73 F N 1.958 121.894 119.950 -0.023 0.000 2.134 73 F HA -0.090 4.437 4.527 -0.001 0.000 0.299 73 F C 1.866 177.667 175.800 0.000 0.000 1.097 73 F CA 1.211 59.200 58.000 -0.018 0.000 1.264 73 F CB -0.161 38.818 39.000 -0.035 0.000 1.001 73 F HN 0.099 nan 8.300 nan 0.000 0.479 74 L N -0.550 120.709 121.223 0.059 0.000 2.083 74 L HA -0.227 4.113 4.340 -0.001 0.000 0.209 74 L C 2.310 179.143 176.870 -0.061 0.000 1.083 74 L CA 1.729 56.553 54.840 -0.026 0.000 0.752 74 L CB -1.101 40.988 42.059 0.049 0.000 0.899 74 L HN 0.142 nan 8.230 nan 0.000 0.433 75 T N -1.153 113.381 114.554 -0.033 0.000 2.821 75 T HA -0.260 4.089 4.350 -0.001 0.000 0.267 75 T C 1.799 176.466 174.700 -0.055 0.000 1.046 75 T CA 1.494 63.577 62.100 -0.028 0.000 1.139 75 T CB -0.137 68.725 68.868 -0.011 0.000 0.871 75 T HN 0.399 nan 8.240 nan 0.000 0.454 76 Q N 0.385 120.129 119.800 -0.093 0.000 2.049 76 Q HA -0.128 4.211 4.340 -0.001 0.000 0.198 76 Q C 2.203 178.100 176.000 -0.172 0.000 0.971 76 Q CA 1.025 56.760 55.803 -0.114 0.000 0.833 76 Q CB -0.023 28.648 28.738 -0.112 0.000 0.896 76 Q HN 0.343 nan 8.270 nan 0.000 0.434 77 Q N -0.012 119.600 119.800 -0.314 0.000 2.378 77 Q HA 0.027 4.366 4.340 -0.001 0.000 0.205 77 Q C 1.731 177.653 176.000 -0.129 0.000 0.954 77 Q CA 0.704 56.325 55.803 -0.305 0.000 0.901 77 Q CB 0.338 28.730 28.738 -0.576 0.000 0.981 77 Q HN 0.455 nan 8.270 nan 0.000 0.483 78 L N -0.676 120.505 121.223 -0.070 0.000 2.640 78 L HA 0.219 4.559 4.340 -0.001 0.000 0.230 78 L C 0.951 177.840 176.870 0.031 0.000 1.123 78 L CA 0.135 54.991 54.840 0.026 0.000 0.900 78 L CB -0.028 42.084 42.059 0.089 0.000 1.146 78 L HN 0.191 nan 8.230 nan 0.000 0.484 79 G N 1.193 109.990 108.800 -0.005 0.000 2.645 79 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.246 79 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.246 79 G C -1.809 173.102 174.900 0.018 0.000 1.322 79 G CA -0.182 44.920 45.100 0.004 0.000 0.898 79 G HN 0.129 nan 8.290 nan 0.000 0.573 80 P HA 0.002 nan 4.420 nan 0.000 0.216 80 P C 1.173 178.496 177.300 0.038 0.000 1.153 80 P CA 1.789 64.903 63.100 0.024 0.000 0.858 80 P CB -0.213 31.499 31.700 0.020 0.000 0.789 81 D N -0.174 120.257 120.400 0.053 0.000 2.801 81 D HA -0.071 4.568 4.640 -0.001 0.000 0.249 81 D C -0.103 176.246 176.300 0.082 0.000 1.273 81 D CA 0.540 54.584 54.000 0.074 0.000 0.953 81 D CB -1.127 39.732 40.800 0.098 0.000 1.134 81 D HN 0.158 nan 8.370 nan 0.000 0.449 82 L N 0.139 121.396 121.223 0.057 0.000 2.381 82 L HA 0.541 4.880 4.340 -0.001 0.000 0.268 82 L C -0.820 176.074 176.870 0.040 0.000 0.997 82 L CA -1.127 53.741 54.840 0.046 0.000 0.818 82 L CB 2.374 44.451 42.059 0.029 0.000 1.310 82 L HN -0.129 nan 8.230 nan 0.000 0.416 83 V N 1.067 121.006 119.914 0.042 0.000 2.962 83 V HA 0.256 4.375 4.120 -0.001 0.000 0.313 83 V C -0.668 175.449 176.094 0.038 0.000 1.099 83 V CA -0.850 61.477 62.300 0.046 0.000 0.971 83 V CB 2.469 34.331 31.823 0.065 0.000 1.028 83 V HN 0.697 nan 8.190 nan 0.000 0.430 84 D N 2.353 122.775 120.400 0.036 0.000 2.450 84 D HA 0.185 4.824 4.640 -0.001 0.000 0.247 84 D C 1.043 177.373 176.300 0.051 0.000 1.162 84 D CA 0.631 54.649 54.000 0.029 0.000 0.879 84 D CB 1.854 42.671 40.800 0.029 0.000 1.163 84 D HN 0.680 nan 8.370 nan 0.000 0.472 85 A N 4.127 126.971 122.820 0.041 0.000 2.070 85 A HA -0.018 4.302 4.320 -0.001 0.000 0.220 85 A C 2.088 179.743 177.584 0.119 0.000 1.159 85 A CA 1.618 53.702 52.037 0.078 0.000 0.656 85 A CB -0.537 18.488 19.000 0.041 0.000 0.800 85 A HN 0.682 nan 8.150 nan 0.000 0.453 86 A N -1.686 121.190 122.820 0.092 0.000 2.125 86 A HA -0.089 4.230 4.320 -0.001 0.000 0.219 86 A C 1.859 179.518 177.584 0.126 0.000 1.156 86 A CA 1.476 53.582 52.037 0.115 0.000 0.671 86 A CB -0.111 18.939 19.000 0.082 0.000 0.794 86 A HN 0.463 nan 8.150 nan 0.000 0.459 87 Q N -1.473 118.393 119.800 0.111 0.000 2.140 87 Q HA 0.364 4.703 4.340 -0.001 0.000 0.227 87 Q C 0.348 176.419 176.000 0.118 0.000 0.798 87 Q CA 0.454 56.322 55.803 0.108 0.000 0.987 87 Q CB 0.350 29.136 28.738 0.080 0.000 1.161 87 Q HN 0.544 nan 8.270 nan 0.000 0.480 88 A N 1.392 124.295 122.820 0.138 0.000 2.466 88 A HA 0.389 4.708 4.320 -0.001 0.000 0.238 88 A C 0.113 177.803 177.584 0.178 0.000 1.074 88 A CA 0.139 52.269 52.037 0.155 0.000 0.774 88 A CB 0.373 19.482 19.000 0.182 0.000 1.015 88 A HN 0.051 nan 8.150 nan 0.000 0.498 89 R N 1.118 121.718 120.500 0.167 0.000 2.787 89 R HA 0.503 4.842 4.340 -0.001 0.000 0.271 89 R C -2.007 174.427 176.300 0.222 0.000 0.993 89 R CA -1.994 54.205 56.100 0.165 0.000 0.993 89 R CB 0.669 31.025 30.300 0.093 0.000 1.155 89 R HN 0.389 nan 8.270 nan 0.000 0.486 90 P HA -0.254 nan 4.420 nan 0.000 0.217 90 P C 0.535 178.028 177.300 0.322 0.000 1.158 90 P CA 1.907 65.209 63.100 0.337 0.000 0.887 90 P CB 0.167 32.081 31.700 0.356 0.000 0.792 91 S N -2.733 113.082 115.700 0.191 0.000 2.561 91 S HA -0.014 4.455 4.470 -0.001 0.000 0.225 91 S C 0.752 175.421 174.600 0.115 0.000 0.977 91 S CA 0.168 58.437 58.200 0.115 0.000 0.926 91 S CB -0.792 62.448 63.200 0.067 0.000 0.769 91 S HN 0.026 nan 8.310 nan 0.000 0.533 92 D N 2.482 122.977 120.400 0.158 0.000 2.383 92 D HA 0.316 4.955 4.640 -0.001 0.000 0.248 92 D C -0.389 176.019 176.300 0.180 0.000 1.170 92 D CA -0.127 53.961 54.000 0.146 0.000 0.977 92 D CB 0.426 41.309 40.800 0.139 0.000 1.120 92 D HN 0.205 nan 8.370 nan 0.000 0.481 93 N N 0.026 118.813 118.700 0.145 0.000 2.408 93 N HA 0.386 5.125 4.740 -0.001 0.000 0.280 93 N C -0.480 175.068 175.510 0.063 0.000 1.002 93 N CA -0.350 52.775 53.050 0.125 0.000 0.907 93 N CB 1.343 39.927 38.487 0.161 0.000 1.161 93 N HN 0.439 nan 8.380 nan 0.000 0.488 94 C N -1.041 118.268 119.300 0.016 0.000 3.173 94 C HA 0.586 5.046 4.460 -0.001 0.000 0.310 94 C C -0.381 174.535 174.990 -0.123 0.000 1.306 94 C CA -0.901 58.103 59.018 -0.023 0.000 1.426 94 C CB 0.582 28.345 27.740 0.038 0.000 1.800 94 C HN 0.367 nan 8.230 nan 0.000 0.470 95 V N 2.596 122.448 119.914 -0.102 0.000 2.389 95 V HA 0.198 4.317 4.120 -0.001 0.000 0.264 95 V C 0.682 176.701 176.094 -0.125 0.000 1.049 95 V CA 0.231 62.466 62.300 -0.109 0.000 0.932 95 V CB 0.455 32.241 31.823 -0.063 0.000 1.011 95 V HN 0.942 nan 8.190 nan 0.000 0.475 96 F N 4.098 123.806 119.950 -0.402 0.000 2.206 96 F HA 0.043 4.569 4.527 -0.001 0.000 0.298 96 F C 1.188 176.883 175.800 -0.174 0.000 1.090 96 F CA 1.089 58.802 58.000 -0.478 0.000 1.323 96 F CB 0.539 38.999 39.000 -0.899 0.000 1.028 96 F HN 0.636 nan 8.300 nan 0.000 0.492 97 S N -0.574 115.046 115.700 -0.132 0.000 2.597 97 S HA 0.511 4.980 4.470 -0.001 0.000 0.274 97 S C -1.280 173.330 174.600 0.016 0.000 1.132 97 S CA -0.373 57.734 58.200 -0.155 0.000 0.835 97 S CB 1.302 64.427 63.200 -0.125 0.000 1.092 97 S HN 0.645 nan 8.310 nan 0.000 0.457 98 V N 0.293 120.205 119.914 -0.003 0.000 2.777 98 V HA 0.973 5.092 4.120 -0.001 0.000 0.306 98 V C -1.161 174.958 176.094 0.041 0.000 1.112 98 V CA -0.045 62.281 62.300 0.044 0.000 0.917 98 V CB 1.239 33.072 31.823 0.017 0.000 1.018 98 V HN 1.427 nan 8.190 nan 0.000 0.426 99 E N 4.728 124.984 120.200 0.094 0.000 2.449 99 E HA 0.541 4.890 4.350 -0.001 0.000 0.278 99 E C -1.315 175.353 176.600 0.114 0.000 1.059 99 E CA -1.257 55.205 56.400 0.104 0.000 0.854 99 E CB 1.765 31.566 29.700 0.168 0.000 1.465 99 E HN 0.938 nan 8.360 nan 0.000 0.462 100 L N 1.360 122.655 121.223 0.121 0.000 2.514 100 L HA 0.094 4.433 4.340 -0.001 0.000 0.280 100 L C -0.305 176.638 176.870 0.122 0.000 1.223 100 L CA 0.634 55.534 54.840 0.099 0.000 0.864 100 L CB 0.560 42.679 42.059 0.100 0.000 1.118 100 L HN 0.636 nan 8.230 nan 0.000 0.494 101 Q N 4.346 124.202 119.800 0.094 0.000 2.340 101 Q HA 0.384 4.724 4.340 -0.001 0.000 0.259 101 Q C -1.279 174.774 176.000 0.087 0.000 0.964 101 Q CA -0.495 55.376 55.803 0.113 0.000 0.900 101 Q CB 0.777 29.579 28.738 0.106 0.000 1.228 101 Q HN 0.631 nan 8.270 nan 0.000 0.449 102 L N 6.458 127.750 121.223 0.116 0.000 2.485 102 L HA 0.296 4.635 4.340 -0.001 0.000 0.275 102 L C -1.766 175.156 176.870 0.086 0.000 1.207 102 L CA -1.046 53.850 54.840 0.092 0.000 0.855 102 L CB -0.314 41.851 42.059 0.177 0.000 1.114 102 L HN 0.742 nan 8.230 nan 0.000 0.485 103 P HA 0.331 nan 4.420 nan 0.000 0.278 103 P C -2.698 174.663 177.300 0.102 0.000 1.266 103 P CA -1.749 61.373 63.100 0.037 0.000 0.807 103 P CB -0.105 31.561 31.700 -0.056 0.000 1.094 104 P HA 0.125 nan 4.420 nan 0.000 0.268 104 P C 1.018 178.356 177.300 0.063 0.000 1.204 104 P CA -0.051 63.086 63.100 0.062 0.000 0.768 104 P CB 0.491 32.208 31.700 0.027 0.000 0.842 105 K N 3.043 123.457 120.400 0.024 0.000 2.057 105 K HA -0.186 4.133 4.320 -0.001 0.000 0.207 105 K C 1.764 178.289 176.600 -0.126 0.000 1.049 105 K CA 1.628 57.826 56.287 -0.148 0.000 0.931 105 K CB -0.513 31.751 32.500 -0.393 0.000 0.714 105 K HN 0.471 nan 8.250 nan 0.000 0.440 106 A N 1.108 123.882 122.820 -0.076 0.000 1.908 106 A HA -0.153 4.166 4.320 -0.001 0.000 0.218 106 A C 2.333 179.913 177.584 -0.008 0.000 1.181 106 A CA 2.066 54.076 52.037 -0.045 0.000 0.627 106 A CB -0.857 18.124 19.000 -0.031 0.000 0.818 106 A HN 0.506 nan 8.150 nan 0.000 0.445 107 A N -0.315 122.507 122.820 0.004 0.000 1.898 107 A HA 0.208 4.527 4.320 -0.001 0.000 0.216 107 A C 2.518 180.128 177.584 0.044 0.000 1.181 107 A CA 2.000 54.047 52.037 0.017 0.000 0.620 107 A CB -1.037 17.964 19.000 0.002 0.000 0.819 107 A HN 1.082 nan 8.150 nan 0.000 0.442 108 A N -0.149 122.702 122.820 0.051 0.000 1.908 108 A HA -0.076 4.243 4.320 -0.001 0.000 0.218 108 A C 2.169 179.854 177.584 0.168 0.000 1.181 108 A CA 1.567 53.663 52.037 0.097 0.000 0.627 108 A CB -0.610 18.503 19.000 0.190 0.000 0.818 108 A HN 0.478 nan 8.150 nan 0.000 0.445 109 L N -0.993 120.301 121.223 0.119 0.000 2.093 109 L HA -0.159 4.181 4.340 -0.001 0.000 0.208 109 L C 3.088 180.007 176.870 0.081 0.000 1.085 109 L CA 0.943 55.848 54.840 0.108 0.000 0.755 109 L CB -0.596 41.481 42.059 0.031 0.000 0.904 109 L HN 0.445 nan 8.230 nan 0.000 0.435 110 A N -0.440 122.419 122.820 0.065 0.000 1.933 110 A HA -0.296 4.023 4.320 -0.001 0.000 0.218 110 A C 2.097 179.726 177.584 0.074 0.000 1.175 110 A CA 2.057 54.127 52.037 0.055 0.000 0.628 110 A CB -0.739 18.288 19.000 0.046 0.000 0.814 110 A HN 0.539 nan 8.150 nan 0.000 0.444 111 H N -0.323 118.755 119.070 0.012 0.000 2.343 111 H HA 0.107 4.662 4.556 -0.001 0.000 0.303 111 H C 1.699 177.041 175.328 0.023 0.000 1.068 111 H CA 1.760 57.810 56.048 0.004 0.000 1.359 111 H CB -0.256 29.491 29.762 -0.024 0.000 1.402 111 H HN 0.330 nan 8.280 nan 0.000 0.515 112 L N -0.075 121.115 121.223 -0.055 0.000 2.093 112 L HA -0.104 4.235 4.340 -0.001 0.000 0.208 112 L C 1.465 178.306 176.870 -0.048 0.000 1.085 112 L CA 1.420 56.221 54.840 -0.064 0.000 0.755 112 L CB -0.110 42.034 42.059 0.143 0.000 0.904 112 L HN 0.349 nan 8.230 nan 0.000 0.435 113 D N -0.765 119.633 120.400 -0.003 0.000 2.379 113 D HA 0.034 4.673 4.640 -0.001 0.000 0.218 113 D C 1.764 178.058 176.300 -0.010 0.000 1.006 113 D CA 0.622 54.627 54.000 0.008 0.000 0.893 113 D CB 0.297 41.121 40.800 0.041 0.000 1.019 113 D HN 0.224 nan 8.370 nan 0.000 0.503 114 R N -0.190 120.301 120.500 -0.016 0.000 2.472 114 R HA 0.313 4.653 4.340 -0.001 0.000 0.279 114 R C 0.880 177.165 176.300 -0.025 0.000 0.953 114 R CA 0.309 56.402 56.100 -0.011 0.000 1.088 114 R CB 1.144 31.448 30.300 0.006 0.000 1.197 114 R HN 0.024 nan 8.270 nan 0.000 0.536 115 G N 1.507 110.263 108.800 -0.072 0.000 2.179 115 G HA2 -0.307 3.652 3.960 -0.001 0.000 0.257 115 G HA3 -0.307 3.652 3.960 -0.001 0.000 0.257 115 G C 0.060 174.967 174.900 0.011 0.000 1.010 115 G CA 0.472 45.526 45.100 -0.077 0.000 0.736 115 G HN 0.311 nan 8.290 nan 0.000 0.513 116 S N 1.488 117.219 115.700 0.052 0.000 2.600 116 S HA 0.517 4.987 4.470 -0.001 0.000 0.265 116 S C -1.292 173.426 174.600 0.197 0.000 1.325 116 S CA -0.492 57.762 58.200 0.090 0.000 1.002 116 S CB 1.232 64.477 63.200 0.075 0.000 0.921 116 S HN 0.417 nan 8.310 nan 0.000 0.554 117 P HA 0.185 nan 4.420 nan 0.000 0.269 117 P C -2.599 174.700 177.300 -0.002 0.000 1.215 117 P CA -1.262 61.892 63.100 0.089 0.000 0.780 117 P CB -0.702 31.011 31.700 0.021 0.000 0.898 118 P HA 0.227 nan 4.420 nan 0.000 0.272 118 P C -2.438 174.716 177.300 -0.243 0.000 1.230 118 P CA -1.167 61.594 63.100 -0.565 0.000 0.788 118 P CB -1.106 30.140 31.700 -0.757 0.000 0.949 119 P HA 0.188 nan 4.420 nan 0.000 0.274 119 P C -0.440 176.799 177.300 -0.103 0.000 1.237 119 P CA -0.272 62.762 63.100 -0.109 0.000 0.793 119 P CB 0.160 31.806 31.700 -0.090 0.000 0.977 120 A N 2.360 125.153 122.820 -0.045 0.000 2.567 120 A HA 0.012 4.331 4.320 -0.001 0.000 0.240 120 A C 0.531 178.090 177.584 -0.041 0.000 1.053 120 A CA 0.164 52.190 52.037 -0.019 0.000 0.755 120 A CB -0.531 18.508 19.000 0.065 0.000 0.978 120 A HN 0.542 nan 8.150 nan 0.000 0.507 121 R N 2.232 122.689 120.500 -0.071 0.000 2.267 121 R HA 0.350 4.689 4.340 -0.001 0.000 0.319 121 R C -0.440 175.823 176.300 -0.061 0.000 1.067 121 R CA 0.142 56.192 56.100 -0.083 0.000 0.936 121 R CB 0.351 30.587 30.300 -0.107 0.000 1.006 121 R HN 0.877 nan 8.270 nan 0.000 0.452 122 E N 1.840 122.023 120.200 -0.029 0.000 2.359 122 E HA 0.620 4.969 4.350 -0.001 0.000 0.266 122 E C -1.376 175.230 176.600 0.010 0.000 0.920 122 E CA -1.187 55.207 56.400 -0.009 0.000 0.788 122 E CB 2.125 31.863 29.700 0.064 0.000 1.279 122 E HN 0.650 nan 8.360 nan 0.000 0.438 123 A N 1.144 123.975 122.820 0.019 0.000 2.380 123 A HA 0.681 5.000 4.320 -0.001 0.000 0.315 123 A C -1.593 176.048 177.584 0.095 0.000 1.101 123 A CA -0.591 51.475 52.037 0.050 0.000 0.771 123 A CB 0.992 20.006 19.000 0.023 0.000 1.287 123 A HN 0.406 nan 8.150 nan 0.000 0.436 124 L N 1.572 122.871 121.223 0.128 0.000 2.313 124 L HA 0.769 5.109 4.340 -0.001 0.000 0.283 124 L C 0.082 177.055 176.870 0.172 0.000 1.013 124 L CA 0.023 54.962 54.840 0.165 0.000 0.816 124 L CB 1.327 43.505 42.059 0.197 0.000 1.236 124 L HN 0.889 nan 8.230 nan 0.000 0.419 125 A N 6.265 129.188 122.820 0.173 0.000 2.318 125 A HA 0.745 5.065 4.320 -0.001 0.000 0.324 125 A C -0.762 176.941 177.584 0.199 0.000 1.170 125 A CA -0.478 51.656 52.037 0.161 0.000 0.810 125 A CB 0.599 19.675 19.000 0.127 0.000 1.198 125 A HN 0.681 nan 8.150 nan 0.000 0.484 126 I N 3.146 123.849 120.570 0.222 0.000 2.328 126 I HA 0.324 4.493 4.170 -0.001 0.000 0.287 126 I C -0.719 175.496 176.117 0.163 0.000 1.012 126 I CA -0.589 60.883 61.300 0.287 0.000 1.195 126 I CB 1.610 39.882 38.000 0.454 0.000 1.350 126 I HN 0.304 nan 8.210 nan 0.000 0.464 127 V N 6.867 126.842 119.914 0.102 0.000 2.435 127 V HA 0.361 4.480 4.120 -0.001 0.000 0.290 127 V C -0.123 175.978 176.094 0.011 0.000 1.030 127 V CA -0.519 61.702 62.300 -0.131 0.000 0.881 127 V CB 1.661 33.200 31.823 -0.474 0.000 0.983 127 V HN 0.442 nan 8.190 nan 0.000 0.445 128 F N 4.310 124.166 119.950 -0.156 0.000 2.375 128 F HA 0.409 4.935 4.527 -0.001 0.000 0.362 128 F C 0.018 175.817 175.800 -0.003 0.000 1.129 128 F CA -0.440 57.577 58.000 0.028 0.000 1.154 128 F CB 0.553 39.614 39.000 0.102 0.000 1.205 128 F HN 0.434 nan 8.300 nan 0.000 0.513 129 F N 2.095 122.273 119.950 0.380 0.000 2.425 129 F HA 0.230 4.756 4.527 -0.001 0.000 0.354 129 F C 1.237 176.986 175.800 -0.085 0.000 1.162 129 F CA -0.318 57.769 58.000 0.145 0.000 1.250 129 F CB 0.785 39.825 39.000 0.067 0.000 1.579 129 F HN 0.558 nan 8.300 nan 0.000 0.589 130 G N 1.102 109.940 108.800 0.063 0.000 2.744 130 G HA2 0.025 3.984 3.960 -0.001 0.000 0.211 130 G HA3 0.025 3.984 3.960 -0.001 0.000 0.211 130 G C 1.254 176.081 174.900 -0.121 0.000 1.146 130 G CA 0.110 45.017 45.100 -0.322 0.000 0.787 130 G HN 0.667 nan 8.290 nan 0.000 0.534 131 G N 0.674 109.494 108.800 0.032 0.000 3.343 131 G HA2 0.496 4.455 3.960 -0.001 0.000 0.264 131 G HA3 0.496 4.455 3.960 -0.001 0.000 0.264 131 G C -0.037 174.868 174.900 0.009 0.000 0.884 131 G CA -0.300 44.819 45.100 0.032 0.000 1.916 131 G HN 0.591 nan 8.290 nan 0.000 0.618 132 Q N -0.520 119.254 119.800 -0.043 0.000 2.633 132 Q HA 0.312 4.651 4.340 -0.001 0.000 0.289 132 Q C -2.696 173.264 176.000 -0.067 0.000 0.940 132 Q CA -1.612 54.163 55.803 -0.048 0.000 0.785 132 Q CB 1.058 29.762 28.738 -0.055 0.000 1.467 132 Q HN -0.047 nan 8.270 nan 0.000 0.401 133 P HA -0.176 nan 4.420 nan 0.000 0.217 133 P C -0.479 176.789 177.300 -0.054 0.000 1.148 133 P CA 1.510 64.583 63.100 -0.045 0.000 0.828 133 P CB 0.215 31.894 31.700 -0.035 0.000 0.783 134 Q N -0.702 119.056 119.800 -0.070 0.000 3.090 134 Q HA 0.236 4.576 4.340 -0.001 0.000 0.241 134 Q C -2.514 173.420 176.000 -0.110 0.000 0.958 134 Q CA -1.932 53.828 55.803 -0.071 0.000 0.715 134 Q CB 1.397 30.106 28.738 -0.048 0.000 1.298 134 Q HN 0.186 nan 8.270 nan 0.000 0.468 135 P HA -0.045 nan 4.420 nan 0.000 0.268 135 P C -0.832 176.363 177.300 -0.175 0.000 1.208 135 P CA 0.208 63.093 63.100 -0.360 0.000 0.777 135 P CB 0.756 31.879 31.700 -0.960 0.000 0.875 136 N N -0.152 118.550 118.700 0.004 0.000 2.934 136 N HA 0.437 5.176 4.740 -0.001 0.000 0.253 136 N C -1.812 173.868 175.510 0.283 0.000 1.466 136 N CA -0.990 52.138 53.050 0.130 0.000 0.858 136 N CB 0.771 39.291 38.487 0.055 0.000 1.459 136 N HN 0.058 nan 8.380 nan 0.000 0.532 137 V N -0.154 119.826 119.914 0.110 0.000 2.513 137 V HA 0.695 4.814 4.120 -0.001 0.000 0.299 137 V C -0.473 175.698 176.094 0.128 0.000 1.035 137 V CA -0.312 62.056 62.300 0.114 0.000 0.889 137 V CB 1.531 33.232 31.823 -0.203 0.000 0.988 137 V HN 0.845 nan 8.190 nan 0.000 0.440 138 T N 3.946 118.658 114.554 0.263 0.000 2.861 138 T HA 0.473 4.822 4.350 -0.001 0.000 0.287 138 T C -0.687 174.171 174.700 0.263 0.000 1.003 138 T CA -0.564 61.705 62.100 0.281 0.000 0.977 138 T CB 1.576 70.729 68.868 0.475 0.000 0.996 138 T HN 0.709 nan 8.240 nan 0.000 0.448 139 E N 2.233 122.581 120.200 0.247 0.000 2.156 139 E HA 0.559 4.908 4.350 -0.001 0.000 0.279 139 E C -0.884 175.849 176.600 0.222 0.000 0.965 139 E CA -0.511 56.042 56.400 0.255 0.000 0.789 139 E CB 1.246 31.113 29.700 0.278 0.000 1.098 139 E HN 0.385 nan 8.360 nan 0.000 0.397 140 L N 2.796 124.148 121.223 0.214 0.000 2.385 140 L HA 0.461 4.800 4.340 -0.001 0.000 0.273 140 L C -0.723 176.262 176.870 0.192 0.000 0.990 140 L CA -1.208 53.754 54.840 0.203 0.000 0.821 140 L CB 1.758 43.943 42.059 0.211 0.000 1.279 140 L HN 0.261 nan 8.230 nan 0.000 0.412 141 V N 3.993 124.025 119.914 0.196 0.000 2.461 141 V HA 0.327 4.446 4.120 -0.001 0.000 0.275 141 V C 0.054 176.278 176.094 0.217 0.000 1.047 141 V CA -0.398 62.021 62.300 0.197 0.000 0.955 141 V CB 1.704 33.652 31.823 0.209 0.000 0.988 141 V HN 0.444 nan 8.190 nan 0.000 0.471 142 V N 4.328 124.316 119.914 0.123 0.000 2.487 142 V HA 1.009 5.129 4.120 -0.001 0.000 0.298 142 V C 0.442 176.390 176.094 -0.243 0.000 1.028 142 V CA 0.093 62.393 62.300 -0.001 0.000 0.860 142 V CB 1.263 33.125 31.823 0.065 0.000 0.991 142 V HN 1.105 nan 8.190 nan 0.000 0.427 143 G N 4.954 113.308 108.800 -0.744 0.000 2.349 143 G HA2 0.586 4.545 3.960 -0.001 0.000 0.294 143 G HA3 0.586 4.545 3.960 -0.001 0.000 0.294 143 G C -3.542 170.623 174.900 -1.225 0.000 1.380 143 G CA -0.757 43.874 45.100 -0.782 0.000 0.811 143 G HN 0.490 nan 8.290 nan 0.000 0.519 144 P HA 0.488 nan 4.420 nan 0.000 0.288 144 P C -0.242 176.913 177.300 -0.241 0.000 1.267 144 P CA -0.398 62.561 63.100 -0.234 0.000 0.815 144 P CB 1.711 33.362 31.700 -0.081 0.000 0.989 145 L N 5.544 126.659 121.223 -0.180 0.000 2.436 145 L HA 0.187 4.526 4.340 -0.001 0.000 0.265 145 L C -0.780 176.012 176.870 -0.131 0.000 1.168 145 L CA -1.421 53.322 54.840 -0.161 0.000 0.815 145 L CB 0.192 42.175 42.059 -0.126 0.000 1.109 145 L HN 0.342 nan 8.230 nan 0.000 0.462 146 P HA -0.103 nan 4.420 nan 0.000 0.217 146 P C -0.230 176.984 177.300 -0.143 0.000 1.151 146 P CA 0.727 63.758 63.100 -0.116 0.000 0.828 146 P CB 0.226 31.873 31.700 -0.089 0.000 0.788 147 Q N 0.199 119.905 119.800 -0.157 0.000 2.456 147 Q HA 0.365 4.705 4.340 -0.001 0.000 0.252 147 Q C -2.668 173.149 176.000 -0.306 0.000 1.042 147 Q CA -2.929 52.759 55.803 -0.191 0.000 0.766 147 Q CB 0.458 29.123 28.738 -0.123 0.000 1.196 147 Q HN -0.001 nan 8.270 nan 0.000 0.504 148 P HA 0.048 nan 4.420 nan 0.000 0.267 148 P C -0.243 176.539 177.300 -0.863 0.000 1.200 148 P CA 0.223 62.825 63.100 -0.830 0.000 0.772 148 P CB 1.104 32.087 31.700 -1.195 0.000 0.855 149 S N 0.487 115.799 115.700 -0.645 0.000 2.679 149 S HA 0.167 4.636 4.470 -0.001 0.000 0.258 149 S C -0.113 174.554 174.600 0.111 0.000 1.068 149 S CA -0.313 57.783 58.200 -0.173 0.000 1.115 149 S CB -0.324 62.865 63.200 -0.019 0.000 1.078 149 S HN 0.455 nan 8.310 nan 0.000 0.603 150 Y N -0.283 120.037 120.300 0.034 0.000 2.576 150 Y HA 0.835 5.384 4.550 -0.001 0.000 0.346 150 Y C -0.723 175.329 175.900 0.255 0.000 1.018 150 Y CA -1.745 56.456 58.100 0.168 0.000 1.050 150 Y CB 1.401 39.909 38.460 0.079 0.000 1.280 150 Y HN 0.108 nan 8.280 nan 0.000 0.474 151 M N 3.660 123.553 119.600 0.488 0.000 2.060 151 M HA 0.468 4.947 4.480 -0.001 0.000 0.275 151 M C -1.909 174.567 176.300 0.293 0.000 0.919 151 M CA -0.431 55.097 55.300 0.381 0.000 0.970 151 M CB 1.101 33.890 32.600 0.316 0.000 1.670 151 M HN 0.906 nan 8.290 nan 0.000 0.440 152 R N 2.396 123.068 120.500 0.285 0.000 2.255 152 R HA 0.246 4.585 4.340 -0.001 0.000 0.326 152 R C -0.953 175.442 176.300 0.158 0.000 0.986 152 R CA -0.631 55.578 56.100 0.182 0.000 0.847 152 R CB 1.233 31.615 30.300 0.137 0.000 1.111 152 R HN 0.582 nan 8.270 nan 0.000 0.452 153 D N 3.373 123.851 120.400 0.130 0.000 2.336 153 D HA 0.031 4.670 4.640 -0.001 0.000 0.249 153 D C 0.797 177.159 176.300 0.103 0.000 1.213 153 D CA -0.206 53.871 54.000 0.129 0.000 0.870 153 D CB 1.210 42.074 40.800 0.107 0.000 1.076 153 D HN 0.351 nan 8.370 nan 0.000 0.483 154 V N 1.197 121.179 119.914 0.113 0.000 3.427 154 V HA 0.119 4.238 4.120 -0.001 0.000 0.305 154 V C 1.601 177.739 176.094 0.073 0.000 1.412 154 V CA 0.095 62.443 62.300 0.081 0.000 1.086 154 V CB -0.233 31.637 31.823 0.078 0.000 0.964 154 V HN 0.409 nan 8.190 nan 0.000 0.439 155 T N 1.456 116.081 114.554 0.118 0.000 2.635 155 T HA -0.197 4.152 4.350 -0.001 0.000 0.267 155 T C 1.896 176.673 174.700 0.129 0.000 1.040 155 T CA 2.287 64.488 62.100 0.168 0.000 1.156 155 T CB -0.317 68.648 68.868 0.163 0.000 0.863 155 T HN 0.400 nan 8.240 nan 0.000 0.430 156 V N 2.156 122.119 119.914 0.082 0.000 2.427 156 V HA -0.148 3.972 4.120 -0.001 0.000 0.248 156 V C 2.584 178.694 176.094 0.028 0.000 1.051 156 V CA 2.038 64.374 62.300 0.060 0.000 1.048 156 V CB -0.701 31.146 31.823 0.041 0.000 0.666 156 V HN 0.723 nan 8.190 nan 0.000 0.456 157 E N 0.199 120.403 120.200 0.008 0.000 2.427 157 E HA -0.149 4.200 4.350 -0.001 0.000 0.196 157 E C 2.117 178.683 176.600 -0.056 0.000 1.028 157 E CA 0.832 57.225 56.400 -0.012 0.000 0.864 157 E CB -0.108 29.589 29.700 -0.004 0.000 0.813 157 E HN 0.524 nan 8.360 nan 0.000 0.514 158 R N -0.777 119.637 120.500 -0.143 0.000 2.237 158 R HA 0.142 4.482 4.340 -0.001 0.000 0.195 158 R C 0.988 177.019 176.300 -0.449 0.000 0.956 158 R CA 0.615 56.517 56.100 -0.329 0.000 1.029 158 R CB 0.343 30.340 30.300 -0.505 0.000 0.972 158 R HN 0.344 nan 8.270 nan 0.000 0.493 159 H N -1.680 117.430 119.070 0.066 0.000 3.233 159 H HA 0.267 4.823 4.556 -0.001 0.000 0.263 159 H C 1.082 176.434 175.328 0.040 0.000 1.168 159 H CA 0.638 56.721 56.048 0.059 0.000 1.159 159 H CB 1.631 31.420 29.762 0.045 0.000 1.593 159 H HN 0.378 nan 8.280 nan 0.000 0.580 160 G N 0.662 109.525 108.800 0.105 0.000 2.179 160 G HA2 -0.180 3.780 3.960 -0.001 0.000 0.260 160 G HA3 -0.180 3.780 3.960 -0.001 0.000 0.260 160 G C 0.641 175.580 174.900 0.064 0.000 0.977 160 G CA 0.456 45.599 45.100 0.072 0.000 0.641 160 G HN 0.912 nan 8.290 nan 0.000 0.533 161 G N -1.414 107.434 108.800 0.080 0.000 2.321 161 G HA2 0.645 4.604 3.960 -0.001 0.000 0.296 161 G HA3 0.645 4.604 3.960 -0.001 0.000 0.296 161 G C -3.256 171.672 174.900 0.046 0.000 1.287 161 G CA 0.138 45.268 45.100 0.050 0.000 0.846 161 G HN 0.417 nan 8.290 nan 0.000 0.508 162 P HA 0.445 nan 4.420 nan 0.000 0.272 162 P C -0.314 176.938 177.300 -0.081 0.000 1.223 162 P CA -0.365 62.726 63.100 -0.016 0.000 0.784 162 P CB 0.720 32.407 31.700 -0.023 0.000 0.923 163 L N 4.517 125.651 121.223 -0.149 0.000 2.278 163 L HA 0.302 4.641 4.340 -0.001 0.000 0.287 163 L C -1.858 174.821 176.870 -0.318 0.000 1.072 163 L CA -2.010 52.638 54.840 -0.321 0.000 0.819 163 L CB 0.581 42.318 42.059 -0.536 0.000 1.176 163 L HN 0.217 nan 8.230 nan 0.000 0.435 164 P HA -0.091 nan 4.420 nan 0.000 0.269 164 P C 0.336 177.286 177.300 -0.583 0.000 1.209 164 P CA 0.026 62.814 63.100 -0.520 0.000 0.776 164 P CB 0.723 31.921 31.700 -0.837 0.000 0.876 165 Y N 2.358 122.343 120.300 -0.524 0.000 2.207 165 Y HA -0.285 4.264 4.550 -0.001 0.000 0.287 165 Y C 2.210 177.882 175.900 -0.379 0.000 1.156 165 Y CA 1.327 59.194 58.100 -0.389 0.000 1.182 165 Y CB -0.505 37.842 38.460 -0.187 0.000 0.979 165 Y HN 0.355 nan 8.280 nan 0.000 0.521 166 Y N -1.555 118.684 120.300 -0.102 0.000 2.680 166 Y HA 0.055 4.605 4.550 -0.001 0.000 0.303 166 Y C 1.744 177.540 175.900 -0.173 0.000 1.166 166 Y CA 0.036 58.043 58.100 -0.155 0.000 1.344 166 Y CB -0.919 37.502 38.460 -0.065 0.000 1.002 166 Y HN -0.061 nan 8.280 nan 0.000 0.537 167 R N 1.349 121.637 120.500 -0.355 0.000 2.210 167 R HA 0.078 4.417 4.340 -0.001 0.000 0.203 167 R C 0.786 176.999 176.300 -0.145 0.000 1.010 167 R CA 0.061 56.058 56.100 -0.173 0.000 1.008 167 R CB 0.026 30.177 30.300 -0.249 0.000 0.923 167 R HN 0.432 nan 8.270 nan 0.000 0.469 168 R N 2.843 123.089 120.500 -0.424 0.000 2.640 168 R HA 0.077 4.416 4.340 -0.001 0.000 0.270 168 R C -2.405 173.672 176.300 -0.371 0.000 1.024 168 R CA -1.189 54.572 56.100 -0.565 0.000 1.085 168 R CB -0.324 29.028 30.300 -1.580 0.000 0.963 168 R HN -0.163 nan 8.270 nan 0.000 0.426 169 P HA -0.006 nan 4.420 nan 0.000 0.272 169 P C -0.291 176.996 177.300 -0.023 0.000 1.223 169 P CA -0.438 62.591 63.100 -0.118 0.000 0.784 169 P CB 0.634 32.323 31.700 -0.017 0.000 0.923 170 V N 3.424 123.369 119.914 0.051 0.000 2.529 170 V HA -0.073 4.046 4.120 -0.001 0.000 0.292 170 V C 1.105 177.272 176.094 0.122 0.000 1.028 170 V CA 0.150 62.440 62.300 -0.016 0.000 1.074 170 V CB -0.200 31.465 31.823 -0.262 0.000 0.958 170 V HN 0.369 nan 8.190 nan 0.000 0.481 171 L N 4.533 125.861 121.223 0.175 0.000 2.452 171 L HA 0.147 4.486 4.340 -0.001 0.000 0.267 171 L C 0.988 178.064 176.870 0.344 0.000 1.188 171 L CA 0.305 55.361 54.840 0.360 0.000 0.821 171 L CB 0.657 42.932 42.059 0.359 0.000 1.102 171 L HN 0.642 nan 8.230 nan 0.000 0.470 172 L N 2.699 124.217 121.223 0.492 0.000 2.083 172 L HA -0.155 4.185 4.340 -0.001 0.000 0.209 172 L C 2.447 179.553 176.870 0.393 0.000 1.083 172 L CA 1.727 56.886 54.840 0.532 0.000 0.752 172 L CB -0.617 41.699 42.059 0.429 0.000 0.899 172 L HN 0.834 nan 8.230 nan 0.000 0.433 173 R N -0.413 120.272 120.500 0.307 0.000 2.148 173 R HA -0.176 4.163 4.340 -0.001 0.000 0.227 173 R C 2.261 178.720 176.300 0.266 0.000 1.103 173 R CA 1.541 57.793 56.100 0.254 0.000 0.983 173 R CB -0.280 30.149 30.300 0.215 0.000 0.874 173 R HN 0.629 nan 8.270 nan 0.000 0.451 174 E N -0.833 119.523 120.200 0.259 0.000 2.072 174 E HA -0.201 4.148 4.350 -0.001 0.000 0.191 174 E C 1.386 178.088 176.600 0.169 0.000 0.985 174 E CA 1.250 57.797 56.400 0.246 0.000 0.801 174 E CB -0.144 29.637 29.700 0.134 0.000 0.750 174 E HN 0.518 nan 8.360 nan 0.000 0.452 175 Y N 0.596 121.028 120.300 0.220 0.000 2.181 175 Y HA -0.196 4.353 4.550 -0.001 0.000 0.288 175 Y C 2.299 178.268 175.900 0.116 0.000 1.146 175 Y CA 0.878 59.064 58.100 0.142 0.000 1.164 175 Y CB -0.048 38.546 38.460 0.223 0.000 0.982 175 Y HN 0.065 nan 8.280 nan 0.000 0.515 176 L N -0.305 121.120 121.223 0.337 0.000 2.042 176 L HA -0.259 4.080 4.340 -0.001 0.000 0.210 176 L C 1.758 178.757 176.870 0.215 0.000 1.076 176 L CA 1.265 56.253 54.840 0.245 0.000 0.749 176 L CB -0.476 41.713 42.059 0.216 0.000 0.893 176 L HN 0.253 nan 8.230 nan 0.000 0.432 177 D N 0.045 120.590 120.400 0.242 0.000 2.183 177 D HA -0.096 4.543 4.640 -0.001 0.000 0.203 177 D C 2.299 178.785 176.300 0.311 0.000 0.969 177 D CA 1.046 55.194 54.000 0.248 0.000 0.842 177 D CB -0.007 40.938 40.800 0.241 0.000 0.957 177 D HN 0.316 nan 8.370 nan 0.000 0.484 178 I N 1.012 121.746 120.570 0.274 0.000 2.286 178 I HA -0.244 3.925 4.170 -0.001 0.000 0.248 178 I C 1.776 177.859 176.117 -0.057 0.000 1.115 178 I CA 1.051 62.372 61.300 0.036 0.000 1.392 178 I CB -0.027 37.727 38.000 -0.410 0.000 1.065 178 I HN -0.148 nan 8.210 nan 0.000 0.418 179 D N 0.196 120.605 120.400 0.016 0.000 2.117 179 D HA -0.160 4.479 4.640 -0.001 0.000 0.198 179 D C 2.291 178.721 176.300 0.217 0.000 0.982 179 D CA 0.906 54.969 54.000 0.106 0.000 0.828 179 D CB -0.154 40.814 40.800 0.280 0.000 0.967 179 D HN 0.210 nan 8.370 nan 0.000 0.464 180 Q N -0.156 119.764 119.800 0.199 0.000 2.084 180 Q HA -0.131 4.209 4.340 -0.001 0.000 0.202 180 Q C 2.177 178.258 176.000 0.135 0.000 0.978 180 Q CA 0.741 56.657 55.803 0.188 0.000 0.844 180 Q CB -0.410 28.410 28.738 0.137 0.000 0.898 180 Q HN 0.413 nan 8.270 nan 0.000 0.426 181 M N -0.148 119.512 119.600 0.100 0.000 2.086 181 M HA -0.168 4.311 4.480 -0.001 0.000 0.261 181 M C 2.001 178.295 176.300 -0.010 0.000 1.067 181 M CA 1.436 56.777 55.300 0.069 0.000 1.116 181 M CB -0.089 32.592 32.600 0.134 0.000 1.348 181 M HN 0.125 nan 8.290 nan 0.000 0.407 182 I N -0.303 120.193 120.570 -0.123 0.000 2.226 182 I HA -0.304 3.865 4.170 -0.001 0.000 0.245 182 I C 1.872 177.778 176.117 -0.351 0.000 1.100 182 I CA 1.546 62.659 61.300 -0.311 0.000 1.374 182 I CB -0.409 37.261 38.000 -0.550 0.000 1.057 182 I HN 0.252 nan 8.210 nan 0.000 0.413 183 F N 0.446 120.423 119.950 0.045 0.000 2.416 183 F HA -0.021 4.505 4.527 -0.001 0.000 0.296 183 F C 2.042 177.889 175.800 0.079 0.000 1.099 183 F CA 0.944 58.989 58.000 0.076 0.000 1.427 183 F CB -0.324 38.728 39.000 0.087 0.000 1.079 183 F HN 0.090 nan 8.300 nan 0.000 0.536 184 N N -0.698 118.119 118.700 0.195 0.000 2.439 184 N HA 0.038 4.777 4.740 -0.001 0.000 0.176 184 N C 1.756 177.316 175.510 0.084 0.000 1.029 184 N CA 0.123 53.255 53.050 0.138 0.000 0.886 184 N CB 0.165 38.720 38.487 0.114 0.000 1.057 184 N HN 0.076 nan 8.380 nan 0.000 0.437 185 R N 0.382 120.913 120.500 0.052 0.000 2.316 185 R HA 0.153 4.492 4.340 -0.001 0.000 0.201 185 R C 1.002 177.302 176.300 -0.001 0.000 0.888 185 R CA 0.375 56.492 56.100 0.028 0.000 1.041 185 R CB 0.571 30.887 30.300 0.027 0.000 1.115 185 R HN 0.080 nan 8.270 nan 0.000 0.559 186 E N 0.872 121.053 120.200 -0.032 0.000 2.067 186 E HA -0.021 4.328 4.350 -0.001 0.000 0.194 186 E C 2.035 178.569 176.600 -0.110 0.000 0.950 186 E CA 0.458 56.814 56.400 -0.073 0.000 0.872 186 E CB -0.396 29.244 29.700 -0.100 0.000 0.877 186 E HN 0.184 nan 8.360 nan 0.000 0.470 187 L N 1.310 122.442 121.223 -0.151 0.000 2.089 187 L HA -0.173 4.166 4.340 -0.001 0.000 0.213 187 L C -0.495 176.243 176.870 -0.219 0.000 1.079 187 L CA 1.440 56.137 54.840 -0.238 0.000 0.758 187 L CB -1.789 40.108 42.059 -0.270 0.000 0.891 187 L HN 0.114 nan 8.230 nan 0.000 0.433 188 P HA -0.193 nan 4.420 nan 0.000 0.219 188 P C 1.354 178.632 177.300 -0.037 0.000 1.146 188 P CA 1.187 64.317 63.100 0.049 0.000 0.808 188 P CB -0.035 31.730 31.700 0.108 0.000 0.779 189 Q N -1.168 118.588 119.800 -0.073 0.000 2.437 189 Q HA 0.009 4.349 4.340 -0.001 0.000 0.210 189 Q C 1.124 177.041 176.000 -0.138 0.000 0.972 189 Q CA 1.009 56.764 55.803 -0.081 0.000 0.903 189 Q CB -0.218 28.474 28.738 -0.075 0.000 0.967 189 Q HN 0.176 nan 8.270 nan 0.000 0.486 190 A N -0.431 122.254 122.820 -0.225 0.000 2.705 190 A HA 0.565 4.884 4.320 -0.001 0.000 0.294 190 A C 1.315 178.662 177.584 -0.395 0.000 1.039 190 A CA 0.243 52.085 52.037 -0.324 0.000 1.005 190 A CB 0.138 18.876 19.000 -0.436 0.000 1.192 190 A HN 0.237 nan 8.150 nan 0.000 0.513 191 A N 0.050 122.696 122.820 -0.289 0.000 1.908 191 A HA 0.065 4.385 4.320 -0.001 0.000 0.218 191 A C 2.223 179.468 177.584 -0.564 0.000 1.181 191 A CA 2.200 54.019 52.037 -0.365 0.000 0.627 191 A CB -0.930 18.000 19.000 -0.116 0.000 0.818 191 A HN 0.904 nan 8.150 nan 0.000 0.445 192 G N -0.868 107.800 108.800 -0.221 0.000 2.421 192 G HA2 -0.148 3.812 3.960 -0.001 0.000 0.216 192 G HA3 -0.148 3.812 3.960 -0.001 0.000 0.216 192 G C 1.653 176.497 174.900 -0.095 0.000 1.171 192 G CA 1.326 46.447 45.100 0.035 0.000 0.775 192 G HN 0.703 nan 8.290 nan 0.000 0.543 193 V N 0.058 119.691 119.914 -0.468 0.000 2.515 193 V HA 0.004 4.123 4.120 -0.001 0.000 0.250 193 V C 2.607 178.365 176.094 -0.559 0.000 1.058 193 V CA 1.351 63.065 62.300 -0.977 0.000 1.064 193 V CB -0.158 30.968 31.823 -1.161 0.000 0.675 193 V HN 0.201 nan 8.190 nan 0.000 0.461 194 L N -0.107 120.839 121.223 -0.462 0.000 2.240 194 L HA 0.032 4.371 4.340 -0.001 0.000 0.211 194 L C 2.441 179.316 176.870 0.008 0.000 1.106 194 L CA 1.633 56.286 54.840 -0.310 0.000 0.793 194 L CB -1.315 40.392 42.059 -0.585 0.000 0.927 194 L HN 0.432 nan 8.230 nan 0.000 0.446 195 H N -2.001 117.120 119.070 0.085 0.000 2.326 195 H HA -0.151 4.405 4.556 -0.001 0.000 0.301 195 H C 2.165 177.557 175.328 0.108 0.000 1.081 195 H CA 1.761 57.897 56.048 0.148 0.000 1.334 195 H CB -0.308 29.538 29.762 0.139 0.000 1.385 195 H HN 0.445 nan 8.280 nan 0.000 0.504 196 H N 0.098 119.250 119.070 0.136 0.000 2.267 196 H HA -0.149 4.406 4.556 -0.001 0.000 0.297 196 H C 2.634 177.994 175.328 0.054 0.000 1.080 196 H CA 2.794 58.891 56.048 0.081 0.000 1.278 196 H CB -0.115 29.659 29.762 0.020 0.000 1.365 196 H HN 0.458 nan 8.280 nan 0.000 0.489 197 C N -1.118 118.304 119.300 0.203 0.000 2.450 197 C HA 0.072 4.532 4.460 -0.001 0.000 0.279 197 C C 1.980 177.071 174.990 0.167 0.000 1.335 197 C CA 0.318 59.434 59.018 0.163 0.000 1.749 197 C CB -0.918 26.887 27.740 0.107 0.000 1.963 197 C HN 0.681 nan 8.230 nan 0.000 0.501 198 C N 0.495 119.909 119.300 0.191 0.000 3.626 198 C HA 0.462 4.921 4.460 -0.001 0.000 0.276 198 C C 1.012 176.182 174.990 0.300 0.000 1.694 198 C CA 0.152 59.356 59.018 0.311 0.000 1.785 198 C CB -1.732 26.180 27.740 0.285 0.000 3.152 198 C HN 0.649 nan 8.230 nan 0.000 0.571 199 S N 0.731 116.569 115.700 0.229 0.000 3.614 199 S HA -0.259 4.210 4.470 -0.001 0.000 0.360 199 S C -0.043 174.714 174.600 0.262 0.000 1.023 199 S CA 0.351 58.665 58.200 0.191 0.000 1.114 199 S CB -1.509 61.746 63.200 0.092 0.000 0.907 199 S HN 0.795 nan 8.310 nan 0.000 0.470 200 Y N 2.616 123.050 120.300 0.223 0.000 2.745 200 Y HA 0.182 4.731 4.550 -0.001 0.000 0.335 200 Y C 0.996 177.049 175.900 0.255 0.000 1.212 200 Y CA 0.595 58.815 58.100 0.199 0.000 1.535 200 Y CB -0.007 38.507 38.460 0.089 0.000 1.220 200 Y HN 0.364 nan 8.280 nan 0.000 0.531 201 K N 3.812 124.040 120.400 -0.288 0.000 3.088 201 K HA -0.297 4.022 4.320 -0.001 0.000 0.273 201 K C -0.209 176.325 176.600 -0.109 0.000 1.111 201 K CA 1.475 57.590 56.287 -0.288 0.000 0.803 201 K CB -1.005 31.202 32.500 -0.488 0.000 1.226 201 K HN 0.892 nan 8.250 nan 0.000 0.485 202 Q N -0.895 118.877 119.800 -0.045 0.000 2.106 202 Q HA 0.234 4.573 4.340 -0.001 0.000 0.273 202 Q C 0.840 176.816 176.000 -0.040 0.000 0.853 202 Q CA 0.284 56.052 55.803 -0.058 0.000 1.118 202 Q CB 1.563 30.256 28.738 -0.075 0.000 1.240 202 Q HN 0.471 nan 8.270 nan 0.000 0.445 203 G N -0.011 108.765 108.800 -0.040 0.000 2.213 203 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.236 203 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.236 203 G C 0.516 175.392 174.900 -0.040 0.000 0.991 203 G CA -0.418 44.657 45.100 -0.041 0.000 0.629 203 G HN 0.543 nan 8.290 nan 0.000 0.517 204 G N -0.374 108.418 108.800 -0.013 0.000 2.667 204 G HA2 0.458 4.417 3.960 -0.001 0.000 0.250 204 G HA3 0.458 4.417 3.960 -0.001 0.000 0.250 204 G C 0.248 175.118 174.900 -0.051 0.000 1.212 204 G CA -0.023 45.062 45.100 -0.025 0.000 0.874 204 G HN 0.307 nan 8.290 nan 0.000 0.561 205 Q N -0.149 119.554 119.800 -0.161 0.000 2.432 205 Q HA 0.080 4.419 4.340 -0.001 0.000 0.264 205 Q C 0.565 176.596 176.000 0.050 0.000 1.035 205 Q CA 0.401 56.123 55.803 -0.135 0.000 0.908 205 Q CB 0.711 29.246 28.738 -0.338 0.000 1.280 205 Q HN 0.446 nan 8.270 nan 0.000 0.455 206 K N 1.200 121.626 120.400 0.043 0.000 2.276 206 K HA 0.257 4.576 4.320 -0.001 0.000 0.259 206 K C -0.057 176.654 176.600 0.185 0.000 1.001 206 K CA -0.100 56.232 56.287 0.074 0.000 0.927 206 K CB 0.448 32.945 32.500 -0.005 0.000 0.969 206 K HN 0.379 nan 8.250 nan 0.000 0.490 207 L N 2.625 123.971 121.223 0.204 0.000 2.334 207 L HA 0.572 4.911 4.340 -0.001 0.000 0.270 207 L C -0.697 176.342 176.870 0.281 0.000 1.018 207 L CA -1.193 53.837 54.840 0.315 0.000 0.811 207 L CB 0.980 43.297 42.059 0.431 0.000 1.271 207 L HN 0.470 nan 8.230 nan 0.000 0.443 208 L N -1.254 120.200 121.223 0.386 0.000 2.479 208 L HA 0.820 5.159 4.340 -0.001 0.000 0.255 208 L C -0.276 176.896 176.870 0.503 0.000 1.026 208 L CA -0.531 54.554 54.840 0.408 0.000 0.842 208 L CB 1.526 43.718 42.059 0.221 0.000 1.444 208 L HN 0.577 nan 8.230 nan 0.000 0.409 209 T N -1.370 113.471 114.554 0.478 0.000 2.943 209 T HA 0.763 5.112 4.350 -0.001 0.000 0.284 209 T C -0.309 174.683 174.700 0.487 0.000 1.015 209 T CA -0.598 61.779 62.100 0.462 0.000 1.042 209 T CB 1.446 70.508 68.868 0.324 0.000 1.055 209 T HN 0.930 nan 8.240 nan 0.000 0.500 210 M N 2.523 122.393 119.600 0.451 0.000 2.259 210 M HA 0.414 4.894 4.480 -0.001 0.000 0.304 210 M C -0.678 175.680 176.300 0.097 0.000 1.019 210 M CA -0.721 54.648 55.300 0.114 0.000 0.922 210 M CB 1.656 34.061 32.600 -0.324 0.000 1.600 210 M HN 0.862 nan 8.290 nan 0.000 0.433 211 N N 2.082 120.777 118.700 -0.008 0.000 2.326 211 N HA 0.465 5.204 4.740 -0.001 0.000 0.239 211 N C -1.197 174.205 175.510 -0.180 0.000 1.301 211 N CA 0.350 53.313 53.050 -0.145 0.000 0.909 211 N CB 0.850 39.347 38.487 0.018 0.000 1.156 211 N HN 0.735 nan 8.380 nan 0.000 0.462 212 S N -0.333 115.267 115.700 -0.166 0.000 2.625 212 S HA 0.894 5.364 4.470 -0.001 0.000 0.271 212 S C -1.554 173.047 174.600 0.002 0.000 1.161 212 S CA -0.384 57.752 58.200 -0.105 0.000 0.820 212 S CB 1.160 64.265 63.200 -0.159 0.000 1.137 212 S HN 0.980 nan 8.310 nan 0.000 0.470 213 A N 0.542 123.315 122.820 -0.078 0.000 2.583 213 A HA 0.847 5.166 4.320 -0.001 0.000 0.292 213 A C -3.390 174.128 177.584 -0.110 0.000 1.045 213 A CA -1.226 50.831 52.037 0.032 0.000 0.672 213 A CB 0.237 19.416 19.000 0.299 0.000 1.283 213 A HN 0.615 nan 8.150 nan 0.000 0.419 214 P HA 0.241 nan 4.420 nan 0.000 0.276 214 P C -0.593 176.783 177.300 0.126 0.000 1.264 214 P CA 0.103 63.211 63.100 0.013 0.000 0.815 214 P CB 0.257 31.881 31.700 -0.128 0.000 1.121 215 R N 0.197 120.821 120.500 0.207 0.000 2.724 215 R HA 0.637 4.976 4.340 -0.001 0.000 0.284 215 R C 0.353 176.772 176.300 0.198 0.000 1.481 215 R CA -0.315 55.889 56.100 0.173 0.000 1.652 215 R CB 0.354 30.713 30.300 0.098 0.000 1.175 215 R HN 0.796 nan 8.270 nan 0.000 0.613 216 G N -0.363 108.575 108.800 0.230 0.000 2.291 216 G HA2 -0.049 3.910 3.960 -0.001 0.000 0.249 216 G HA3 -0.049 3.910 3.960 -0.001 0.000 0.249 216 G C -0.275 174.647 174.900 0.037 0.000 1.340 216 G CA -0.211 44.919 45.100 0.050 0.000 1.017 216 G HN 0.300 nan 8.290 nan 0.000 0.470 217 V N -2.521 117.177 119.914 -0.360 0.000 3.392 217 V HA 0.607 4.726 4.120 -0.001 0.000 0.294 217 V C -0.098 175.270 176.094 -1.211 0.000 1.561 217 V CA 1.317 63.356 62.300 -0.435 0.000 1.056 217 V CB -0.024 31.672 31.823 -0.212 0.000 0.882 217 V HN 1.558 nan 8.190 nan 0.000 0.440 218 Q N -0.945 117.764 119.800 -1.819 0.000 2.633 218 Q HA 0.492 4.831 4.340 -0.001 0.000 0.289 218 Q C -1.265 174.045 176.000 -1.150 0.000 0.940 218 Q CA -0.566 54.220 55.803 -1.696 0.000 0.785 218 Q CB 1.283 29.568 28.738 -0.755 0.000 1.467 218 Q HN 0.068 nan 8.270 nan 0.000 0.401 219 S N -0.045 115.415 115.700 -0.400 0.000 2.544 219 S HA 0.408 4.877 4.470 -0.001 0.000 0.290 219 S C 0.989 175.322 174.600 -0.446 0.000 1.276 219 S CA 1.202 59.371 58.200 -0.051 0.000 1.075 219 S CB 0.288 63.559 63.200 0.117 0.000 0.849 219 S HN 1.087 nan 8.310 nan 0.000 0.494 220 G N 3.234 111.493 108.800 -0.901 0.000 2.278 220 G HA2 -0.171 3.789 3.960 -0.001 0.000 0.210 220 G HA3 -0.171 3.789 3.960 -0.001 0.000 0.210 220 G C -0.401 174.084 174.900 -0.692 0.000 1.000 220 G CA -0.418 43.858 45.100 -1.374 0.000 0.635 220 G HN 0.617 nan 8.290 nan 0.000 0.495 221 D N 0.209 120.362 120.400 -0.412 0.000 2.341 221 D HA 0.569 5.208 4.640 -0.001 0.000 0.245 221 D C 0.883 177.105 176.300 -0.131 0.000 1.106 221 D CA 0.181 54.033 54.000 -0.246 0.000 0.905 221 D CB 1.131 41.782 40.800 -0.250 0.000 1.202 221 D HN 0.434 nan 8.370 nan 0.000 0.426 222 R N 0.506 120.896 120.500 -0.183 0.000 2.593 222 R HA 0.216 4.555 4.340 -0.001 0.000 0.258 222 R C -1.401 174.685 176.300 -0.358 0.000 1.410 222 R CA -0.330 55.591 56.100 -0.298 0.000 1.537 222 R CB -0.039 30.006 30.300 -0.425 0.000 1.362 222 R HN 0.200 nan 8.270 nan 0.000 0.734 223 S N 0.669 116.275 115.700 -0.156 0.000 2.596 223 S HA 0.428 4.897 4.470 -0.001 0.000 0.318 223 S C -0.697 173.873 174.600 -0.050 0.000 1.097 223 S CA -0.482 57.656 58.200 -0.102 0.000 1.080 223 S CB 2.013 65.127 63.200 -0.143 0.000 0.991 223 S HN 0.250 nan 8.310 nan 0.000 0.471 224 T N 2.566 117.129 114.554 0.015 0.000 2.807 224 T HA 0.346 4.696 4.350 -0.001 0.000 0.279 224 T C -0.796 173.799 174.700 -0.174 0.000 0.993 224 T CA -0.492 61.571 62.100 -0.061 0.000 0.970 224 T CB 0.509 69.317 68.868 -0.100 0.000 0.950 224 T HN 0.565 nan 8.240 nan 0.000 0.441 225 W N 3.069 124.291 121.300 -0.130 0.000 2.419 225 W HA 0.481 5.141 4.660 -0.001 0.000 0.312 225 W C -0.477 175.912 176.519 -0.217 0.000 1.323 225 W CA -0.671 56.626 57.345 -0.080 0.000 1.293 225 W CB 0.141 29.560 29.460 -0.069 0.000 1.324 225 W HN 0.520 nan 8.180 nan 0.000 0.512 226 F N 2.609 122.710 119.950 0.252 0.000 2.420 226 F HA 0.579 5.106 4.527 -0.001 0.000 0.342 226 F C 1.029 176.968 175.800 0.230 0.000 1.113 226 F CA -0.614 57.501 58.000 0.191 0.000 1.059 226 F CB 1.128 40.193 39.000 0.109 0.000 1.128 226 F HN 0.280 nan 8.300 nan 0.000 0.475 227 G N 3.561 112.597 108.800 0.394 0.000 2.434 227 G HA2 0.610 4.569 3.960 -0.001 0.000 0.330 227 G HA3 0.610 4.569 3.960 -0.001 0.000 0.330 227 G C -1.069 174.091 174.900 0.433 0.000 1.155 227 G CA -0.593 44.734 45.100 0.378 0.000 0.917 227 G HN 0.392 nan 8.290 nan 0.000 0.493 228 I N 0.822 121.499 120.570 0.179 0.000 2.354 228 I HA 0.418 4.587 4.170 -0.001 0.000 0.292 228 I C -1.044 175.068 176.117 -0.008 0.000 0.989 228 I CA -1.050 60.358 61.300 0.181 0.000 1.188 228 I CB 0.841 38.875 38.000 0.057 0.000 1.342 228 I HN 0.322 nan 8.210 nan 0.000 0.457 229 Y N 4.389 124.794 120.300 0.175 0.000 2.545 229 Y HA 0.421 4.970 4.550 -0.001 0.000 0.348 229 Y C -0.204 175.796 175.900 0.166 0.000 1.002 229 Y CA -1.038 57.150 58.100 0.147 0.000 1.039 229 Y CB 1.335 39.951 38.460 0.259 0.000 1.271 229 Y HN 0.330 nan 8.280 nan 0.000 0.467 230 Y N 1.438 121.910 120.300 0.286 0.000 2.511 230 Y HA -0.016 4.533 4.550 -0.001 0.000 0.332 230 Y C 0.895 176.852 175.900 0.095 0.000 1.177 230 Y CA -0.175 58.013 58.100 0.146 0.000 1.422 230 Y CB 0.572 39.066 38.460 0.057 0.000 1.271 230 Y HN 0.513 nan 8.280 nan 0.000 0.550 231 N N 5.544 124.372 118.700 0.213 0.000 2.663 231 N HA 0.154 4.893 4.740 -0.001 0.000 0.250 231 N C -1.129 174.376 175.510 -0.007 0.000 1.129 231 N CA 0.086 53.179 53.050 0.071 0.000 0.995 231 N CB -0.293 38.220 38.487 0.044 0.000 1.324 231 N HN 0.543 nan 8.380 nan 0.000 0.512 232 I N 1.887 122.428 120.570 -0.048 0.000 2.331 232 I HA 0.034 4.203 4.170 -0.001 0.000 0.292 232 I C 1.870 177.942 176.117 -0.076 0.000 0.998 232 I CA -0.478 60.751 61.300 -0.118 0.000 1.267 232 I CB 1.471 39.307 38.000 -0.273 0.000 1.386 232 I HN 0.382 nan 8.210 nan 0.000 0.476 233 T N 2.338 116.851 114.554 -0.067 0.000 2.946 233 T HA -0.149 4.201 4.350 -0.001 0.000 0.270 233 T C 0.906 175.589 174.700 -0.028 0.000 1.129 233 T CA 1.228 63.303 62.100 -0.042 0.000 1.103 233 T CB -0.200 68.644 68.868 -0.041 0.000 0.839 233 T HN 0.555 nan 8.240 nan 0.000 0.544 234 K N 0.305 120.681 120.400 -0.040 0.000 2.617 234 K HA 0.516 4.836 4.320 -0.001 0.000 0.298 234 K C 1.328 177.898 176.600 -0.051 0.000 0.984 234 K CA -0.347 55.923 56.287 -0.027 0.000 1.299 234 K CB -0.140 32.343 32.500 -0.028 0.000 1.608 234 K HN 0.077 nan 8.250 nan 0.000 0.730 235 G N 0.629 109.360 108.800 -0.116 0.000 2.899 235 G HA2 0.290 4.250 3.960 -0.001 0.000 0.258 235 G HA3 0.290 4.250 3.960 -0.001 0.000 0.258 235 G C 0.272 174.567 174.900 -1.008 0.000 0.765 235 G CA 0.626 45.473 45.100 -0.421 0.000 2.018 235 G HN 0.720 nan 8.290 nan 0.000 0.587 236 G N 1.294 109.740 108.800 -0.589 0.000 3.439 236 G HA2 -0.063 3.897 3.960 -0.001 0.000 0.686 236 G HA3 -0.063 3.897 3.960 -0.001 0.000 0.686 236 G C -0.983 173.840 174.900 -0.128 0.000 1.075 236 G CA -0.208 44.649 45.100 -0.405 0.000 0.926 236 G HN 0.216 nan 8.290 nan 0.000 0.485 237 P HA -0.133 nan 4.420 nan 0.000 0.218 237 P C 1.067 178.353 177.300 -0.024 0.000 1.149 237 P CA 1.259 64.292 63.100 -0.110 0.000 0.817 237 P CB 0.038 31.534 31.700 -0.340 0.000 0.785 238 Y N -0.814 119.462 120.300 -0.040 0.000 2.553 238 Y HA 0.091 4.640 4.550 -0.001 0.000 0.303 238 Y C 1.987 177.916 175.900 0.049 0.000 1.194 238 Y CA -0.082 57.840 58.100 -0.297 0.000 1.305 238 Y CB -1.031 37.155 38.460 -0.457 0.000 1.045 238 Y HN -0.076 nan 8.280 nan 0.000 0.514 239 L N -0.307 121.003 121.223 0.145 0.000 2.607 239 L HA 0.147 4.486 4.340 -0.001 0.000 0.228 239 L C 0.104 176.800 176.870 -0.291 0.000 1.123 239 L CA 0.532 55.317 54.840 -0.091 0.000 0.890 239 L CB -0.229 41.659 42.059 -0.285 0.000 1.103 239 L HN 0.180 nan 8.230 nan 0.000 0.468 240 H N 0.495 119.763 119.070 0.331 0.000 2.380 240 H HA 0.364 4.919 4.556 -0.001 0.000 0.231 240 H C -2.502 172.941 175.328 0.191 0.000 1.415 240 H CA -1.649 54.571 56.048 0.287 0.000 1.433 240 H CB 0.392 30.353 29.762 0.333 0.000 1.544 240 H HN 0.117 nan 8.280 nan 0.000 0.503 241 P HA 0.022 nan 4.420 nan 0.000 0.275 241 P C 0.924 178.076 177.300 -0.247 0.000 1.228 241 P CA -0.207 62.645 63.100 -0.415 0.000 0.786 241 P CB 2.545 34.092 31.700 -0.256 0.000 0.927 242 V N 1.588 121.265 119.914 -0.394 0.000 3.354 242 V HA 0.154 4.274 4.120 -0.001 0.000 0.258 242 V C 1.858 177.707 176.094 -0.407 0.000 1.159 242 V CA 1.583 63.673 62.300 -0.350 0.000 1.125 242 V CB -0.850 30.774 31.823 -0.332 0.000 0.774 242 V HN 0.983 nan 8.190 nan 0.000 0.464 243 G N 0.482 109.058 108.800 -0.373 0.000 2.175 243 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.244 243 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.244 243 G C -0.158 174.505 174.900 -0.396 0.000 0.982 243 G CA 0.238 44.989 45.100 -0.581 0.000 0.641 243 G HN 0.417 nan 8.290 nan 0.000 0.527 244 L N 1.332 122.471 121.223 -0.140 0.000 2.287 244 L HA 0.828 5.167 4.340 -0.001 0.000 0.287 244 L C -0.224 176.729 176.870 0.138 0.000 1.022 244 L CA -0.843 54.054 54.840 0.096 0.000 0.814 244 L CB 1.019 43.145 42.059 0.112 0.000 1.217 244 L HN 0.228 nan 8.230 nan 0.000 0.420 245 E N 5.785 126.155 120.200 0.284 0.000 2.293 245 E HA 0.563 4.913 4.350 -0.001 0.000 0.270 245 E C -1.513 175.420 176.600 0.555 0.000 0.879 245 E CA -0.789 55.846 56.400 0.392 0.000 0.756 245 E CB 2.606 32.497 29.700 0.318 0.000 1.208 245 E HN 0.519 nan 8.360 nan 0.000 0.428 246 L N 2.484 123.987 121.223 0.467 0.000 2.385 246 L HA 0.453 4.793 4.340 -0.001 0.000 0.273 246 L C -0.549 176.260 176.870 -0.102 0.000 0.990 246 L CA -0.786 54.175 54.840 0.203 0.000 0.821 246 L CB 1.825 43.938 42.059 0.091 0.000 1.279 246 L HN 0.368 nan 8.230 nan 0.000 0.412 247 L N 5.084 125.887 121.223 -0.699 0.000 2.282 247 L HA 0.386 4.725 4.340 -0.001 0.000 0.287 247 L C -0.250 176.398 176.870 -0.369 0.000 1.075 247 L CA -0.484 53.760 54.840 -0.993 0.000 0.839 247 L CB 1.306 42.471 42.059 -1.490 0.000 1.219 247 L HN 0.495 nan 8.230 nan 0.000 0.434 248 V N 2.781 122.619 119.914 -0.127 0.000 2.472 248 V HA 0.410 4.529 4.120 -0.001 0.000 0.290 248 V C -0.378 175.708 176.094 -0.014 0.000 1.037 248 V CA -0.660 61.615 62.300 -0.041 0.000 0.908 248 V CB 1.792 33.610 31.823 -0.008 0.000 0.985 248 V HN 0.654 nan 8.190 nan 0.000 0.454 249 D N 4.161 124.530 120.400 -0.052 0.000 2.347 249 D HA 0.311 4.950 4.640 -0.001 0.000 0.235 249 D C 0.217 176.411 176.300 -0.176 0.000 1.149 249 D CA -0.023 53.928 54.000 -0.081 0.000 0.850 249 D CB 0.475 41.243 40.800 -0.053 0.000 1.061 249 D HN 0.994 nan 8.370 nan 0.000 0.487 250 H N 1.187 119.946 119.070 -0.519 0.000 2.505 250 H HA 0.290 4.845 4.556 -0.001 0.000 0.260 250 H C 1.042 176.103 175.328 -0.446 0.000 1.168 250 H CA -0.610 54.735 56.048 -1.172 0.000 0.945 250 H CB 0.593 29.312 29.762 -1.739 0.000 1.800 250 H HN 0.228 nan 8.280 nan 0.000 0.586 251 K N 1.142 121.407 120.400 -0.225 0.000 2.167 251 K HA 0.202 4.521 4.320 -0.001 0.000 0.203 251 K C 0.837 177.532 176.600 0.159 0.000 1.052 251 K CA 0.548 56.793 56.287 -0.070 0.000 0.956 251 K CB 0.084 32.544 32.500 -0.067 0.000 0.735 251 K HN 0.385 nan 8.250 nan 0.000 0.451 252 A N 1.199 124.197 122.820 0.297 0.000 2.477 252 A HA 0.111 4.431 4.320 -0.001 0.000 0.246 252 A C 0.790 178.619 177.584 0.408 0.000 1.078 252 A CA -0.345 51.893 52.037 0.334 0.000 0.770 252 A CB 0.259 19.452 19.000 0.322 0.000 1.011 252 A HN 0.309 nan 8.150 nan 0.000 0.494 253 L N 0.957 122.328 121.223 0.246 0.000 2.191 253 L HA -0.032 4.307 4.340 -0.001 0.000 0.212 253 L C 0.867 177.804 176.870 0.111 0.000 1.103 253 L CA 1.664 56.630 54.840 0.210 0.000 0.769 253 L CB -0.723 41.415 42.059 0.132 0.000 0.908 253 L HN 0.784 nan 8.230 nan 0.000 0.438 254 D N -1.117 119.298 120.400 0.025 0.000 2.392 254 D HA 0.185 4.824 4.640 -0.001 0.000 0.228 254 D C -1.837 174.230 176.300 -0.388 0.000 1.074 254 D CA -2.456 51.470 54.000 -0.123 0.000 0.838 254 D CB 1.756 42.510 40.800 -0.077 0.000 1.067 254 D HN -0.108 nan 8.370 nan 0.000 0.511 255 P HA -0.165 nan 4.420 nan 0.000 0.218 255 P C 0.978 177.735 177.300 -0.905 0.000 1.146 255 P CA 1.324 63.360 63.100 -1.773 0.000 0.820 255 P CB 0.221 31.061 31.700 -1.434 0.000 0.778 256 A N -0.525 122.032 122.820 -0.438 0.000 2.070 256 A HA -0.183 4.136 4.320 -0.001 0.000 0.220 256 A C 1.683 179.206 177.584 -0.102 0.000 1.159 256 A CA 1.698 53.614 52.037 -0.202 0.000 0.656 256 A CB -0.919 18.004 19.000 -0.129 0.000 0.800 256 A HN 0.120 nan 8.150 nan 0.000 0.453 257 D N -1.677 118.669 120.400 -0.090 0.000 2.340 257 D HA 0.043 4.683 4.640 -0.001 0.000 0.217 257 D C -0.352 176.078 176.300 0.216 0.000 1.081 257 D CA -0.202 53.830 54.000 0.054 0.000 0.842 257 D CB 0.001 40.842 40.800 0.068 0.000 0.934 257 D HN 0.451 nan 8.370 nan 0.000 0.511 258 W N 2.271 123.592 121.300 0.035 0.000 2.170 258 W HA 0.285 4.945 4.660 -0.001 0.000 0.336 258 W C 1.206 177.736 176.519 0.019 0.000 1.283 258 W CA -0.578 56.792 57.345 0.042 0.000 1.224 258 W CB 0.239 29.734 29.460 0.058 0.000 1.132 258 W HN -0.232 nan 8.180 nan 0.000 0.571 259 T N -1.371 113.317 114.554 0.222 0.000 2.843 259 T HA 0.506 4.855 4.350 -0.001 0.000 0.302 259 T C -1.175 173.549 174.700 0.040 0.000 1.232 259 T CA -0.999 61.165 62.100 0.107 0.000 1.009 259 T CB 1.725 70.633 68.868 0.067 0.000 1.254 259 T HN 0.402 nan 8.240 nan 0.000 0.504 260 V N 2.207 122.126 119.914 0.008 0.000 2.406 260 V HA 0.386 4.505 4.120 -0.001 0.000 0.272 260 V C 0.563 176.628 176.094 -0.048 0.000 1.043 260 V CA -0.229 62.046 62.300 -0.041 0.000 0.915 260 V CB 1.005 32.806 31.823 -0.037 0.000 0.988 260 V HN 0.921 nan 8.190 nan 0.000 0.466 261 Q N 4.284 124.026 119.800 -0.098 0.000 2.424 261 Q HA 0.267 4.606 4.340 -0.001 0.000 0.204 261 Q C 0.329 176.298 176.000 -0.052 0.000 0.933 261 Q CA 0.547 56.303 55.803 -0.079 0.000 0.929 261 Q CB 0.399 29.073 28.738 -0.108 0.000 1.037 261 Q HN 0.837 nan 8.270 nan 0.000 0.511 262 K N -1.060 119.295 120.400 -0.076 0.000 2.675 262 K HA 0.333 4.652 4.320 -0.001 0.000 0.280 262 K C -1.912 174.778 176.600 0.150 0.000 0.993 262 K CA -0.509 55.825 56.287 0.079 0.000 0.863 262 K CB 1.583 34.178 32.500 0.160 0.000 1.438 262 K HN -0.109 nan 8.250 nan 0.000 0.389 263 V N 1.787 121.930 119.914 0.383 0.000 2.876 263 V HA 0.815 4.934 4.120 -0.001 0.000 0.312 263 V C -1.802 174.651 176.094 0.598 0.000 1.085 263 V CA -0.614 61.962 62.300 0.460 0.000 0.945 263 V CB 1.643 33.588 31.823 0.205 0.000 1.017 263 V HN 0.718 nan 8.190 nan 0.000 0.428 264 F N 6.205 126.359 119.950 0.340 0.000 2.467 264 F HA 0.821 5.347 4.527 -0.001 0.000 0.336 264 F C -1.478 174.310 175.800 -0.020 0.000 1.123 264 F CA -1.217 56.732 58.000 -0.084 0.000 0.964 264 F CB 1.786 40.508 39.000 -0.463 0.000 1.136 264 F HN 0.681 nan 8.300 nan 0.000 0.447 265 F N 6.285 125.702 119.950 -0.889 0.000 2.617 265 F HA 0.281 4.808 4.527 -0.001 0.000 0.325 265 F C -0.249 174.912 175.800 -1.064 0.000 1.179 265 F CA -0.509 57.017 58.000 -0.790 0.000 0.965 265 F CB 1.284 39.954 39.000 -0.550 0.000 1.232 265 F HN 0.688 nan 8.300 nan 0.000 0.461 266 Q N 4.653 123.352 119.800 -1.834 0.000 2.395 266 Q HA -0.249 4.090 4.340 -0.001 0.000 0.326 266 Q C 1.052 176.341 176.000 -1.184 0.000 1.302 266 Q CA 1.179 55.996 55.803 -1.644 0.000 0.949 266 Q CB -1.606 26.037 28.738 -1.825 0.000 1.204 266 Q HN 1.365 nan 8.270 nan 0.000 0.444 267 G N -1.014 106.738 108.800 -1.747 0.000 2.232 267 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.226 267 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.226 267 G C -0.046 174.262 174.900 -0.987 0.000 0.996 267 G CA 0.044 44.071 45.100 -1.790 0.000 0.626 267 G HN 0.222 nan 8.290 nan 0.000 0.509 268 R N -0.327 119.630 120.500 -0.905 0.000 2.778 268 R HA 0.730 5.070 4.340 -0.001 0.000 0.277 268 R C -0.985 175.001 176.300 -0.524 0.000 0.977 268 R CA -0.971 54.837 56.100 -0.487 0.000 0.950 268 R CB 0.682 30.783 30.300 -0.331 0.000 1.165 268 R HN 0.198 nan 8.270 nan 0.000 0.474 269 Y N 0.457 120.606 120.300 -0.251 0.000 2.419 269 Y HA 0.483 5.032 4.550 -0.001 0.000 0.328 269 Y C -0.235 175.478 175.900 -0.313 0.000 1.162 269 Y CA -0.248 57.828 58.100 -0.041 0.000 1.174 269 Y CB 1.281 39.792 38.460 0.084 0.000 1.228 269 Y HN 0.377 nan 8.280 nan 0.000 0.473 270 Y N -0.751 119.687 120.300 0.230 0.000 2.609 270 Y HA 0.274 4.824 4.550 -0.001 0.000 0.342 270 Y C 0.857 176.839 175.900 0.136 0.000 1.058 270 Y CA -1.262 56.915 58.100 0.128 0.000 1.055 270 Y CB 1.349 39.838 38.460 0.048 0.000 1.292 270 Y HN 0.454 nan 8.280 nan 0.000 0.476 271 E N 1.093 121.437 120.200 0.240 0.000 2.107 271 E HA -0.021 4.328 4.350 -0.001 0.000 0.191 271 E C -0.561 176.111 176.600 0.121 0.000 0.982 271 E CA 1.266 57.754 56.400 0.147 0.000 0.809 271 E CB 0.104 29.861 29.700 0.096 0.000 0.756 271 E HN 0.749 nan 8.360 nan 0.000 0.459 272 N N -3.347 115.424 118.700 0.118 0.000 3.261 272 N HA 0.123 4.862 4.740 -0.001 0.000 0.248 272 N C -0.186 175.323 175.510 -0.002 0.000 1.498 272 N CA -0.560 52.520 53.050 0.050 0.000 0.884 272 N CB 0.108 38.610 38.487 0.025 0.000 1.428 272 N HN -0.141 nan 8.380 nan 0.000 0.517 273 L N -0.593 120.594 121.223 -0.061 0.000 2.201 273 L HA 0.077 4.417 4.340 -0.001 0.000 0.212 273 L C 2.325 179.112 176.870 -0.138 0.000 1.105 273 L CA 1.582 56.333 54.840 -0.148 0.000 0.775 273 L CB -0.602 41.358 42.059 -0.164 0.000 0.913 273 L HN 0.836 nan 8.230 nan 0.000 0.440 274 A N -0.395 122.382 122.820 -0.072 0.000 1.933 274 A HA -0.268 4.051 4.320 -0.001 0.000 0.218 274 A C 2.282 179.845 177.584 -0.035 0.000 1.175 274 A CA 1.727 53.733 52.037 -0.050 0.000 0.628 274 A CB -0.458 18.529 19.000 -0.021 0.000 0.814 274 A HN 0.481 nan 8.150 nan 0.000 0.444 275 Q N -0.882 118.915 119.800 -0.005 0.000 2.079 275 Q HA -0.153 4.187 4.340 -0.001 0.000 0.200 275 Q C 1.993 178.008 176.000 0.025 0.000 0.974 275 Q CA 1.560 57.395 55.803 0.054 0.000 0.840 275 Q CB -0.231 28.587 28.738 0.134 0.000 0.898 275 Q HN 0.546 nan 8.270 nan 0.000 0.430 276 L N 1.163 122.287 121.223 -0.166 0.000 2.017 276 L HA -0.192 4.147 4.340 -0.001 0.000 0.208 276 L C 2.185 178.884 176.870 -0.285 0.000 1.073 276 L CA 2.392 56.913 54.840 -0.532 0.000 0.745 276 L CB -0.707 40.813 42.059 -0.899 0.000 0.894 276 L HN 0.243 nan 8.230 nan 0.000 0.432 277 E N 0.210 120.281 120.200 -0.215 0.000 2.031 277 E HA -0.276 4.073 4.350 -0.001 0.000 0.193 277 E C 2.117 178.729 176.600 0.021 0.000 0.994 277 E CA 1.897 58.240 56.400 -0.095 0.000 0.800 277 E CB -0.387 29.254 29.700 -0.099 0.000 0.752 277 E HN 0.770 nan 8.360 nan 0.000 0.447 278 E N 0.040 120.240 120.200 0.000 0.000 2.106 278 E HA -0.255 4.094 4.350 -0.001 0.000 0.192 278 E C 2.089 178.706 176.600 0.028 0.000 0.984 278 E CA 1.126 57.535 56.400 0.015 0.000 0.806 278 E CB -0.368 29.338 29.700 0.010 0.000 0.750 278 E HN 0.377 nan 8.360 nan 0.000 0.458 279 Q N -0.352 119.482 119.800 0.058 0.000 2.167 279 Q HA -0.113 4.226 4.340 -0.001 0.000 0.202 279 Q C 1.891 177.944 176.000 0.088 0.000 0.970 279 Q CA 1.317 57.171 55.803 0.085 0.000 0.855 279 Q CB -0.182 28.658 28.738 0.170 0.000 0.911 279 Q HN 0.365 nan 8.270 nan 0.000 0.438 280 F N 1.890 121.799 119.950 -0.068 0.000 2.259 280 F HA -0.088 4.438 4.527 -0.001 0.000 0.298 280 F C 1.860 177.623 175.800 -0.061 0.000 1.088 280 F CA 0.962 58.909 58.000 -0.089 0.000 1.358 280 F CB 0.159 39.059 39.000 -0.167 0.000 1.040 280 F HN -0.064 nan 8.300 nan 0.000 0.505 281 E N 0.946 121.039 120.200 -0.178 0.000 2.051 281 E HA -0.150 4.200 4.350 -0.001 0.000 0.192 281 E C 2.194 178.666 176.600 -0.213 0.000 0.991 281 E CA 1.199 57.459 56.400 -0.234 0.000 0.799 281 E CB -0.986 28.667 29.700 -0.078 0.000 0.748 281 E HN 0.417 nan 8.360 nan 0.000 0.449 282 A N 0.672 123.421 122.820 -0.118 0.000 2.263 282 A HA 0.169 4.488 4.320 -0.001 0.000 0.205 282 A C 1.556 179.083 177.584 -0.096 0.000 1.226 282 A CA 0.949 52.938 52.037 -0.080 0.000 0.810 282 A CB -1.005 17.978 19.000 -0.029 0.000 0.784 282 A HN 0.283 nan 8.150 nan 0.000 0.486 283 G N -1.062 107.629 108.800 -0.182 0.000 2.321 283 G HA2 -0.334 3.625 3.960 -0.001 0.000 0.287 283 G HA3 -0.334 3.625 3.960 -0.001 0.000 0.287 283 G C 0.511 175.374 174.900 -0.061 0.000 1.018 283 G CA 0.838 45.841 45.100 -0.162 0.000 0.855 283 G HN 0.663 nan 8.290 nan 0.000 0.507 284 Q N -1.634 118.156 119.800 -0.017 0.000 2.247 284 Q HA 0.347 4.686 4.340 -0.001 0.000 0.211 284 Q C 0.401 176.456 176.000 0.091 0.000 0.861 284 Q CA 0.143 55.968 55.803 0.037 0.000 0.949 284 Q CB 1.361 30.125 28.738 0.042 0.000 1.115 284 Q HN 0.387 nan 8.270 nan 0.000 0.507 285 V N 1.684 121.687 119.914 0.148 0.000 2.378 285 V HA 0.220 4.339 4.120 -0.001 0.000 0.288 285 V C -0.720 175.490 176.094 0.194 0.000 1.016 285 V CA -0.874 61.545 62.300 0.198 0.000 0.840 285 V CB 1.529 33.499 31.823 0.245 0.000 0.994 285 V HN 0.143 nan 8.190 nan 0.000 0.431 286 N N 3.359 122.125 118.700 0.110 0.000 2.430 286 N HA 0.394 5.133 4.740 -0.001 0.000 0.265 286 N C -0.702 174.829 175.510 0.035 0.000 1.100 286 N CA -0.049 53.044 53.050 0.072 0.000 0.961 286 N CB 1.247 39.767 38.487 0.055 0.000 1.075 286 N HN 0.457 nan 8.380 nan 0.000 0.478 287 V N 3.885 123.786 119.914 -0.021 0.000 2.370 287 V HA 0.274 4.393 4.120 -0.001 0.000 0.279 287 V C -0.018 176.065 176.094 -0.018 0.000 1.029 287 V CA -0.887 61.375 62.300 -0.064 0.000 0.870 287 V CB 1.480 33.146 31.823 -0.261 0.000 0.984 287 V HN 0.321 nan 8.190 nan 0.000 0.451 288 V N 6.149 126.026 119.914 -0.062 0.000 2.488 288 V HA 0.197 4.317 4.120 -0.001 0.000 0.277 288 V C 0.358 176.437 176.094 -0.024 0.000 1.046 288 V CA -0.373 61.897 62.300 -0.051 0.000 0.986 288 V CB 1.555 33.309 31.823 -0.115 0.000 0.989 288 V HN 0.765 nan 8.190 nan 0.000 0.475 289 V N 4.634 124.586 119.914 0.063 0.000 2.555 289 V HA 0.499 4.618 4.120 -0.001 0.000 0.286 289 V C -0.196 175.931 176.094 0.056 0.000 1.044 289 V CA -0.218 62.143 62.300 0.102 0.000 1.026 289 V CB 0.819 32.712 31.823 0.117 0.000 0.981 289 V HN 0.588 nan 8.190 nan 0.000 0.480 290 I N 8.922 129.562 120.570 0.116 0.000 2.306 290 I HA 0.440 4.610 4.170 -0.001 0.000 0.288 290 I C -1.401 174.921 176.117 0.341 0.000 1.036 290 I CA -1.854 59.565 61.300 0.199 0.000 1.221 290 I CB 1.274 39.352 38.000 0.129 0.000 1.385 290 I HN 0.670 nan 8.210 nan 0.000 0.472 291 P HA 0.155 nan 4.420 nan 0.000 0.278 291 P C -0.510 176.908 177.300 0.196 0.000 1.270 291 P CA -0.031 63.194 63.100 0.210 0.000 0.800 291 P CB 0.497 32.304 31.700 0.178 0.000 1.142 322 F N -0.891 119.066 119.950 0.012 0.000 2.773 322 F HA 0.714 5.240 4.527 -0.001 0.000 0.314 322 F C -1.249 174.542 175.800 -0.015 0.000 1.160 322 F CA -0.939 57.056 58.000 -0.008 0.000 0.920 322 F CB 1.095 40.085 39.000 -0.016 0.000 1.323 322 F HN -0.128 nan 8.300 nan 0.000 0.457 323 S N 0.941 116.681 115.700 0.066 0.000 2.556 323 S HA 0.815 5.285 4.470 -0.001 0.000 0.271 323 S C -2.150 172.492 174.600 0.071 0.000 1.135 323 S CA -0.502 57.677 58.200 -0.035 0.000 0.858 323 S CB 1.561 64.737 63.200 -0.039 0.000 1.114 323 S HN 1.946 nan 8.310 nan 0.000 0.468 324 V N 1.740 121.689 119.914 0.058 0.000 2.525 324 V HA 0.655 4.774 4.120 -0.001 0.000 0.299 324 V C -1.644 174.506 176.094 0.094 0.000 1.034 324 V CA -0.118 62.234 62.300 0.087 0.000 0.863 324 V CB 1.483 33.375 31.823 0.115 0.000 0.999 324 V HN 1.041 nan 8.190 nan 0.000 0.423 325 Q N 4.702 124.554 119.800 0.087 0.000 2.304 325 Q HA 0.654 4.993 4.340 -0.001 0.000 0.270 325 Q C 0.574 176.618 176.000 0.073 0.000 1.035 325 Q CA -0.031 55.816 55.803 0.074 0.000 0.781 325 Q CB 2.116 30.877 28.738 0.038 0.000 1.261 325 Q HN 1.374 nan 8.270 nan 0.000 0.444 326 G N 3.211 112.057 108.800 0.077 0.000 2.591 326 G HA2 -0.395 3.565 3.960 -0.001 0.000 0.298 326 G HA3 -0.395 3.565 3.960 -0.001 0.000 0.298 326 G C 0.300 175.178 174.900 -0.036 0.000 1.195 326 G CA 0.555 45.672 45.100 0.029 0.000 0.989 326 G HN 0.844 nan 8.290 nan 0.000 0.551 327 N N 1.233 119.823 118.700 -0.184 0.000 2.238 327 N HA 0.175 4.915 4.740 -0.001 0.000 0.222 327 N C 0.573 175.896 175.510 -0.311 0.000 1.133 327 N CA 0.707 53.404 53.050 -0.589 0.000 0.854 327 N CB 0.327 38.516 38.487 -0.497 0.000 1.041 327 N HN 1.030 nan 8.380 nan 0.000 0.510 328 R N -0.882 119.599 120.500 -0.033 0.000 2.562 328 R HA 0.663 5.003 4.340 -0.001 0.000 0.298 328 R C -1.300 174.965 176.300 -0.059 0.000 0.961 328 R CA -0.784 55.294 56.100 -0.037 0.000 0.881 328 R CB 1.441 31.718 30.300 -0.038 0.000 1.159 328 R HN -0.192 nan 8.270 nan 0.000 0.450 329 V N 2.243 121.942 119.914 -0.358 0.000 2.435 329 V HA 0.816 4.935 4.120 -0.001 0.000 0.290 329 V C -0.352 175.492 176.094 -0.417 0.000 1.030 329 V CA -0.415 61.590 62.300 -0.492 0.000 0.881 329 V CB 1.454 32.618 31.823 -1.099 0.000 0.983 329 V HN 1.008 nan 8.190 nan 0.000 0.445 330 A N 3.746 126.467 122.820 -0.165 0.000 2.371 330 A HA 0.918 5.237 4.320 -0.001 0.000 0.311 330 A C -0.320 177.284 177.584 0.034 0.000 1.068 330 A CA -0.291 51.704 52.037 -0.071 0.000 0.744 330 A CB 1.953 20.934 19.000 -0.031 0.000 1.239 330 A HN 1.009 nan 8.150 nan 0.000 0.435 331 S N 0.736 116.472 115.700 0.059 0.000 2.661 331 S HA 0.559 5.028 4.470 -0.001 0.000 0.285 331 S C 1.161 175.803 174.600 0.071 0.000 1.138 331 S CA 0.324 58.601 58.200 0.128 0.000 0.855 331 S CB 1.079 64.389 63.200 0.183 0.000 1.136 331 S HN 1.558 nan 8.310 nan 0.000 0.484 332 S N 1.643 117.385 115.700 0.069 0.000 2.380 332 S HA -0.137 4.333 4.470 -0.001 0.000 0.229 332 S C 1.653 176.210 174.600 -0.071 0.000 1.043 332 S CA 1.719 59.924 58.200 0.007 0.000 1.038 332 S CB -0.955 62.259 63.200 0.024 0.000 0.872 332 S HN 0.664 nan 8.310 nan 0.000 0.456 333 L N -2.210 118.972 121.223 -0.069 0.000 2.357 333 L HA 0.354 4.693 4.340 -0.001 0.000 0.211 333 L C 0.603 177.199 176.870 -0.456 0.000 1.075 333 L CA -0.048 54.580 54.840 -0.352 0.000 0.830 333 L CB -0.031 41.839 42.059 -0.315 0.000 0.996 333 L HN 0.308 nan 8.230 nan 0.000 0.467 334 W N -0.815 120.470 121.300 -0.026 0.000 2.736 334 W HA 0.571 5.230 4.660 -0.001 0.000 0.355 334 W C -0.309 176.176 176.519 -0.057 0.000 1.102 334 W CA -0.408 56.952 57.345 0.025 0.000 1.164 334 W CB 1.605 31.120 29.460 0.091 0.000 1.422 334 W HN -0.435 nan 8.180 nan 0.000 0.572 335 T N 2.300 117.040 114.554 0.311 0.000 3.295 335 T HA 0.558 4.907 4.350 -0.001 0.000 0.331 335 T C -1.540 173.247 174.700 0.145 0.000 1.142 335 T CA -0.599 61.538 62.100 0.063 0.000 1.078 335 T CB 0.574 69.474 68.868 0.053 0.000 1.150 335 T HN 0.296 nan 8.240 nan 0.000 0.465 336 F N -0.506 119.407 119.950 -0.062 0.000 2.741 336 F HA 0.827 5.353 4.527 -0.001 0.000 0.311 336 F C -0.882 174.882 175.800 -0.060 0.000 1.149 336 F CA -1.110 56.836 58.000 -0.091 0.000 0.930 336 F CB 0.919 39.789 39.000 -0.217 0.000 1.312 336 F HN 0.322 nan 8.300 nan 0.000 0.450 337 S N 1.494 117.291 115.700 0.162 0.000 2.475 337 S HA 0.755 5.225 4.470 -0.001 0.000 0.298 337 S C -0.966 173.750 174.600 0.193 0.000 1.119 337 S CA -0.633 57.627 58.200 0.101 0.000 1.085 337 S CB 0.938 64.217 63.200 0.132 0.000 1.028 337 S HN 0.645 nan 8.310 nan 0.000 0.489 338 F N 0.153 120.057 119.950 -0.076 0.000 2.575 338 F HA 1.034 5.561 4.527 -0.001 0.000 0.330 338 F C 0.342 176.117 175.800 -0.041 0.000 1.056 338 F CA -0.721 57.166 58.000 -0.188 0.000 0.964 338 F CB 1.103 39.673 39.000 -0.718 0.000 1.258 338 F HN 0.741 nan 8.300 nan 0.000 0.484 339 G N 0.502 109.426 108.800 0.208 0.000 2.430 339 G HA2 0.512 4.471 3.960 -0.001 0.000 0.300 339 G HA3 0.512 4.471 3.960 -0.001 0.000 0.300 339 G C -2.887 172.306 174.900 0.488 0.000 1.330 339 G CA -0.895 44.373 45.100 0.282 0.000 0.813 339 G HN 0.850 nan 8.290 nan 0.000 0.487 340 L N 0.666 122.141 121.223 0.420 0.000 2.438 340 L HA 0.771 5.110 4.340 -0.001 0.000 0.270 340 L C 0.460 177.392 176.870 0.104 0.000 0.972 340 L CA -0.226 54.657 54.840 0.071 0.000 0.831 340 L CB 1.628 43.314 42.059 -0.621 0.000 1.273 340 L HN 1.056 nan 8.230 nan 0.000 0.405 341 G N 2.786 111.617 108.800 0.051 0.000 2.370 341 G HA2 0.468 4.427 3.960 -0.001 0.000 0.272 341 G HA3 0.468 4.427 3.960 -0.001 0.000 0.272 341 G C 0.843 175.757 174.900 0.023 0.000 1.208 341 G CA 0.061 45.240 45.100 0.131 0.000 0.856 341 G HN 1.074 nan 8.290 nan 0.000 0.500 342 A N 2.381 125.260 122.820 0.100 0.000 1.958 342 A HA -0.062 4.257 4.320 -0.001 0.000 0.221 342 A C 1.680 178.966 177.584 -0.495 0.000 1.178 342 A CA 1.692 53.628 52.037 -0.169 0.000 0.642 342 A CB -0.300 18.429 19.000 -0.451 0.000 0.816 342 A HN 0.634 nan 8.150 nan 0.000 0.453 343 F N -1.734 118.308 119.950 0.154 0.000 2.637 343 F HA 0.160 4.686 4.527 -0.001 0.000 0.284 343 F C 2.500 178.323 175.800 0.039 0.000 1.105 343 F CA 0.742 58.816 58.000 0.123 0.000 1.356 343 F CB -0.246 38.816 39.000 0.103 0.000 1.096 343 F HN 0.027 nan 8.300 nan 0.000 0.616 344 S N -0.441 115.350 115.700 0.153 0.000 2.436 344 S HA 0.367 4.836 4.470 -0.001 0.000 0.228 344 S C 1.217 175.713 174.600 -0.173 0.000 1.014 344 S CA 0.806 59.009 58.200 0.005 0.000 0.950 344 S CB -0.472 62.756 63.200 0.046 0.000 0.784 344 S HN 0.596 nan 8.310 nan 0.000 0.504 345 G N 1.209 109.900 108.800 -0.182 0.000 2.582 345 G HA2 -0.122 3.837 3.960 -0.001 0.000 0.222 345 G HA3 -0.122 3.837 3.960 -0.001 0.000 0.222 345 G C -3.284 171.456 174.900 -0.267 0.000 1.311 345 G CA -1.158 43.737 45.100 -0.341 0.000 0.915 345 G HN 0.165 nan 8.290 nan 0.000 0.528 346 P HA 0.326 nan 4.420 nan 0.000 0.266 346 P C -0.002 177.299 177.300 0.001 0.000 1.193 346 P CA 0.542 63.620 63.100 -0.036 0.000 0.770 346 P CB 0.444 32.103 31.700 -0.069 0.000 0.836 347 R N 0.499 121.097 120.500 0.163 0.000 2.663 347 R HA 0.777 5.117 4.340 -0.001 0.000 0.267 347 R C -2.363 173.939 176.300 0.002 0.000 1.038 347 R CA -0.944 55.151 56.100 -0.009 0.000 0.886 347 R CB 0.969 31.268 30.300 -0.001 0.000 1.249 347 R HN 0.275 nan 8.270 nan 0.000 0.463 348 V N 2.421 122.153 119.914 -0.304 0.000 2.888 348 V HA 0.691 4.810 4.120 -0.001 0.000 0.309 348 V C -1.586 174.136 176.094 -0.620 0.000 1.114 348 V CA -0.556 61.593 62.300 -0.251 0.000 0.940 348 V CB 2.235 33.913 31.823 -0.242 0.000 1.021 348 V HN 0.690 nan 8.190 nan 0.000 0.426 349 F N 1.833 121.579 119.950 -0.340 0.000 2.603 349 F HA 0.525 5.052 4.527 -0.001 0.000 0.317 349 F C 0.416 175.907 175.800 -0.515 0.000 1.066 349 F CA -0.673 56.898 58.000 -0.714 0.000 0.941 349 F CB 1.463 39.500 39.000 -1.605 0.000 1.291 349 F HN 0.586 nan 8.300 nan 0.000 0.472 350 D N 1.151 121.358 120.400 -0.323 0.000 2.697 350 D HA -0.149 4.490 4.640 -0.001 0.000 0.238 350 D C -0.966 175.395 176.300 0.101 0.000 1.152 350 D CA 0.288 54.270 54.000 -0.030 0.000 0.666 350 D CB -0.653 40.190 40.800 0.071 0.000 1.037 350 D HN 0.187 nan 8.370 nan 0.000 0.423 351 V N 2.042 122.019 119.914 0.104 0.000 2.470 351 V HA 0.275 4.394 4.120 -0.001 0.000 0.276 351 V C 1.234 177.514 176.094 0.310 0.000 1.040 351 V CA 0.266 62.712 62.300 0.243 0.000 1.008 351 V CB 0.979 32.923 31.823 0.200 0.000 0.990 351 V HN 0.145 nan 8.190 nan 0.000 0.477 352 R N 4.036 124.764 120.500 0.380 0.000 2.599 352 R HA 0.565 4.904 4.340 -0.001 0.000 0.295 352 R C -1.338 175.155 176.300 0.322 0.000 0.963 352 R CA -0.628 55.658 56.100 0.309 0.000 0.883 352 R CB 2.365 32.780 30.300 0.192 0.000 1.171 352 R HN 0.600 nan 8.270 nan 0.000 0.450 353 F N 2.649 122.625 119.950 0.043 0.000 2.449 353 F HA 0.161 4.687 4.527 -0.001 0.000 0.342 353 F C 0.116 175.884 175.800 -0.052 0.000 1.127 353 F CA -0.265 57.579 58.000 -0.260 0.000 0.975 353 F CB 1.126 39.899 39.000 -0.378 0.000 1.146 353 F HN 0.614 nan 8.300 nan 0.000 0.444 354 Q N 4.471 123.863 119.800 -0.680 0.000 2.453 354 Q HA -0.248 4.091 4.340 -0.001 0.000 0.294 354 Q C 1.129 177.074 176.000 -0.091 0.000 1.295 354 Q CA 0.937 56.520 55.803 -0.367 0.000 0.853 354 Q CB -1.730 26.821 28.738 -0.312 0.000 1.193 354 Q HN 1.354 nan 8.270 nan 0.000 0.461 355 G N -0.141 108.629 108.800 -0.050 0.000 2.267 355 G HA2 -0.374 3.585 3.960 -0.001 0.000 0.257 355 G HA3 -0.374 3.585 3.960 -0.001 0.000 0.257 355 G C -0.058 174.891 174.900 0.081 0.000 0.998 355 G CA 0.511 45.624 45.100 0.021 0.000 0.620 355 G HN 0.494 nan 8.290 nan 0.000 0.529 356 E N 0.658 120.937 120.200 0.132 0.000 2.156 356 E HA 0.502 4.851 4.350 -0.001 0.000 0.279 356 E C 0.553 177.290 176.600 0.227 0.000 0.965 356 E CA -0.966 55.546 56.400 0.187 0.000 0.789 356 E CB 0.548 30.390 29.700 0.237 0.000 1.098 356 E HN 0.360 nan 8.360 nan 0.000 0.397 357 R N 4.947 125.565 120.500 0.198 0.000 2.401 357 R HA 0.080 4.419 4.340 -0.001 0.000 0.299 357 R C 0.421 176.826 176.300 0.174 0.000 1.064 357 R CA 0.070 56.286 56.100 0.193 0.000 1.000 357 R CB 0.413 30.822 30.300 0.183 0.000 0.973 357 R HN 0.701 nan 8.270 nan 0.000 0.438 358 L N 3.080 124.365 121.223 0.102 0.000 2.425 358 L HA 0.364 4.703 4.340 -0.001 0.000 0.215 358 L C 0.497 177.320 176.870 -0.079 0.000 1.065 358 L CA 0.131 54.907 54.840 -0.107 0.000 0.842 358 L CB 0.360 42.199 42.059 -0.366 0.000 1.033 358 L HN 0.656 nan 8.230 nan 0.000 0.474 359 A N -1.940 120.886 122.820 0.010 0.000 2.488 359 A HA 0.341 4.660 4.320 -0.001 0.000 0.298 359 A C -0.551 177.066 177.584 0.055 0.000 1.044 359 A CA -0.528 51.512 52.037 0.006 0.000 0.693 359 A CB 0.771 19.729 19.000 -0.071 0.000 1.272 359 A HN 0.141 nan 8.150 nan 0.000 0.402 360 Y N 1.596 121.882 120.300 -0.023 0.000 2.263 360 Y HA 0.149 4.699 4.550 -0.001 0.000 0.292 360 Y C 0.726 176.580 175.900 -0.077 0.000 1.130 360 Y CA 2.309 60.413 58.100 0.008 0.000 1.179 360 Y CB 0.350 38.846 38.460 0.060 0.000 0.998 360 Y HN 0.749 nan 8.280 nan 0.000 0.532 361 E N -0.181 119.871 120.200 -0.246 0.000 2.363 361 E HA 0.419 4.768 4.350 -0.001 0.000 0.281 361 E C -1.947 174.409 176.600 -0.406 0.000 0.953 361 E CA -0.630 55.434 56.400 -0.559 0.000 0.778 361 E CB 1.342 30.660 29.700 -0.637 0.000 1.220 361 E HN 0.130 nan 8.360 nan 0.000 0.431 362 I N 3.321 123.617 120.570 -0.457 0.000 2.500 362 I HA 0.349 4.518 4.170 -0.001 0.000 0.286 362 I C -0.822 175.133 176.117 -0.270 0.000 1.063 362 I CA -0.514 60.624 61.300 -0.270 0.000 1.062 362 I CB 1.812 39.705 38.000 -0.178 0.000 1.223 362 I HN 0.615 nan 8.210 nan 0.000 0.435 363 S N 5.623 121.209 115.700 -0.190 0.000 2.579 363 S HA 0.673 5.142 4.470 -0.001 0.000 0.272 363 S C -1.091 173.416 174.600 -0.156 0.000 1.141 363 S CA -0.883 57.216 58.200 -0.168 0.000 0.843 363 S CB 2.204 65.257 63.200 -0.245 0.000 1.122 363 S HN 0.440 nan 8.310 nan 0.000 0.468 364 L N 1.818 122.856 121.223 -0.309 0.000 2.397 364 L HA 0.475 4.814 4.340 -0.001 0.000 0.271 364 L C 0.942 177.547 176.870 -0.442 0.000 1.148 364 L CA 0.546 54.989 54.840 -0.661 0.000 0.825 364 L CB 0.447 41.945 42.059 -0.936 0.000 1.117 364 L HN 0.838 nan 8.230 nan 0.000 0.456 365 Q N 2.092 121.612 119.800 -0.467 0.000 2.511 365 Q HA 0.274 4.613 4.340 -0.001 0.000 0.236 365 Q C -0.215 175.609 176.000 -0.293 0.000 0.893 365 Q CA 0.335 55.990 55.803 -0.246 0.000 0.947 365 Q CB 0.882 29.552 28.738 -0.113 0.000 1.110 365 Q HN 0.728 nan 8.270 nan 0.000 0.591 366 E N -1.017 118.903 120.200 -0.468 0.000 2.401 366 E HA 0.660 5.009 4.350 -0.001 0.000 0.280 366 E C -2.054 174.327 176.600 -0.366 0.000 1.039 366 E CA -0.431 55.739 56.400 -0.383 0.000 0.814 366 E CB 1.856 31.291 29.700 -0.442 0.000 1.275 366 E HN 0.089 nan 8.360 nan 0.000 0.448 367 A N 1.092 123.847 122.820 -0.110 0.000 2.486 367 A HA 0.918 5.237 4.320 -0.001 0.000 0.300 367 A C -0.526 177.156 177.584 0.163 0.000 1.048 367 A CA -0.057 51.979 52.037 -0.001 0.000 0.696 367 A CB 1.750 20.700 19.000 -0.084 0.000 1.278 367 A HN 0.734 nan 8.150 nan 0.000 0.405 368 G N -0.685 108.262 108.800 0.245 0.000 2.695 368 G HA2 0.872 4.831 3.960 -0.001 0.000 0.290 368 G HA3 0.872 4.831 3.960 -0.001 0.000 0.290 368 G C -1.030 173.959 174.900 0.149 0.000 1.410 368 G CA 0.051 45.282 45.100 0.219 0.000 0.844 368 G HN 1.982 nan 8.290 nan 0.000 0.478 369 A N -0.292 122.583 122.820 0.092 0.000 2.459 369 A HA 0.715 5.034 4.320 -0.001 0.000 0.296 369 A C -1.329 176.184 177.584 -0.118 0.000 1.039 369 A CA -0.472 51.544 52.037 -0.035 0.000 0.698 369 A CB 1.945 21.016 19.000 0.119 0.000 1.261 369 A HN 1.295 nan 8.150 nan 0.000 0.405 370 V N 3.136 122.903 119.914 -0.245 0.000 2.409 370 V HA 0.451 4.571 4.120 -0.001 0.000 0.291 370 V C -0.959 174.996 176.094 -0.232 0.000 1.020 370 V CA -0.334 61.839 62.300 -0.211 0.000 0.848 370 V CB 0.965 32.655 31.823 -0.221 0.000 0.990 370 V HN 0.823 nan 8.190 nan 0.000 0.430 371 Y N 2.157 122.376 120.300 -0.134 0.000 2.488 371 Y HA 0.813 5.362 4.550 -0.001 0.000 0.325 371 Y C 0.816 176.671 175.900 -0.075 0.000 1.204 371 Y CA -0.142 57.903 58.100 -0.092 0.000 1.229 371 Y CB 2.136 40.500 38.460 -0.160 0.000 1.274 371 Y HN 0.702 nan 8.280 nan 0.000 0.493 372 G N -0.831 108.051 108.800 0.138 0.000 2.619 372 G HA2 0.660 4.620 3.960 -0.001 0.000 0.296 372 G HA3 0.660 4.620 3.960 -0.001 0.000 0.296 372 G C -0.900 174.016 174.900 0.027 0.000 1.334 372 G CA -0.385 44.765 45.100 0.083 0.000 0.934 372 G HN 0.977 nan 8.290 nan 0.000 0.476 373 G N -0.289 108.358 108.800 -0.254 0.000 2.324 373 G HA2 0.420 4.379 3.960 -0.001 0.000 0.293 373 G HA3 0.420 4.379 3.960 -0.001 0.000 0.293 373 G C -0.579 173.753 174.900 -0.947 0.000 1.297 373 G CA 0.082 44.916 45.100 -0.444 0.000 0.853 373 G HN 1.241 nan 8.290 nan 0.000 0.535 374 N N -1.022 117.301 118.700 -0.628 0.000 2.238 374 N HA 0.232 4.972 4.740 -0.001 0.000 0.235 374 N C 0.257 175.690 175.510 -0.129 0.000 1.209 374 N CA 0.515 53.303 53.050 -0.438 0.000 0.879 374 N CB 0.762 39.042 38.487 -0.345 0.000 1.136 374 N HN 0.861 nan 8.380 nan 0.000 0.517 375 T N -3.348 111.018 114.554 -0.314 0.000 2.863 375 T HA 0.482 4.832 4.350 -0.001 0.000 0.285 375 T C -2.132 172.133 174.700 -0.725 0.000 1.009 375 T CA -1.798 59.886 62.100 -0.693 0.000 0.989 375 T CB 2.732 71.309 68.868 -0.485 0.000 1.004 375 T HN -0.349 nan 8.240 nan 0.000 0.455 376 P HA -0.280 nan 4.420 nan 0.000 0.216 376 P C 1.760 178.676 177.300 -0.641 0.000 1.151 376 P CA 2.393 64.879 63.100 -1.024 0.000 0.953 376 P CB -0.274 30.212 31.700 -2.023 0.000 0.789 377 A N -0.685 121.837 122.820 -0.497 0.000 1.883 377 A HA -0.169 4.151 4.320 -0.001 0.000 0.217 377 A C 2.355 179.746 177.584 -0.322 0.000 1.186 377 A CA 2.564 54.422 52.037 -0.298 0.000 0.624 377 A CB -1.700 17.174 19.000 -0.210 0.000 0.822 377 A HN 0.249 nan 8.150 nan 0.000 0.444 378 A N -0.143 122.489 122.820 -0.313 0.000 1.969 378 A HA -0.028 4.291 4.320 -0.001 0.000 0.218 378 A C 2.236 179.726 177.584 -0.157 0.000 1.169 378 A CA 1.751 53.645 52.037 -0.239 0.000 0.635 378 A CB -0.569 18.339 19.000 -0.154 0.000 0.810 378 A HN 0.847 nan 8.150 nan 0.000 0.445 379 M N -1.854 117.607 119.600 -0.231 0.000 2.514 379 M HA 0.231 4.710 4.480 -0.001 0.000 0.258 379 M C 1.510 177.735 176.300 -0.125 0.000 1.119 379 M CA 1.274 56.459 55.300 -0.192 0.000 1.111 379 M CB 0.062 32.504 32.600 -0.262 0.000 1.390 379 M HN 0.212 nan 8.290 nan 0.000 0.475 380 L N 0.553 121.691 121.223 -0.141 0.000 2.575 380 L HA 0.379 4.719 4.340 -0.001 0.000 0.228 380 L C 0.141 176.950 176.870 -0.102 0.000 1.075 380 L CA 0.643 55.437 54.840 -0.078 0.000 0.867 380 L CB 0.120 42.158 42.059 -0.035 0.000 1.097 380 L HN 0.086 nan 8.230 nan 0.000 0.485 381 T N 2.300 116.741 114.554 -0.189 0.000 2.902 381 T HA 0.268 4.617 4.350 -0.001 0.000 0.301 381 T C -0.129 174.417 174.700 -0.256 0.000 1.012 381 T CA 0.402 62.306 62.100 -0.326 0.000 1.151 381 T CB 0.090 68.617 68.868 -0.568 0.000 0.946 381 T HN 0.171 nan 8.240 nan 0.000 0.542 382 R N 2.284 122.584 120.500 -0.334 0.000 2.713 382 R HA 0.276 4.615 4.340 -0.001 0.000 0.282 382 R C -1.565 174.591 176.300 -0.239 0.000 1.472 382 R CA -0.515 55.408 56.100 -0.294 0.000 1.060 382 R CB 0.663 30.804 30.300 -0.263 0.000 1.237 382 R HN 0.509 nan 8.270 nan 0.000 0.484 383 Y N 2.457 122.725 120.300 -0.053 0.000 2.304 383 Y HA 0.403 4.952 4.550 -0.001 0.000 0.328 383 Y C 0.521 176.444 175.900 0.038 0.000 1.123 383 Y CA -0.593 57.541 58.100 0.057 0.000 1.218 383 Y CB 1.290 39.820 38.460 0.117 0.000 1.207 383 Y HN 0.358 nan 8.280 nan 0.000 0.495 384 M N 3.473 123.264 119.600 0.317 0.000 1.998 384 M HA 0.192 4.672 4.480 -0.001 0.000 0.289 384 M C 0.156 176.606 176.300 0.251 0.000 0.886 384 M CA -0.368 55.074 55.300 0.237 0.000 0.853 384 M CB 0.922 33.635 32.600 0.189 0.000 1.462 384 M HN 0.581 nan 8.290 nan 0.000 0.375 385 D N 0.338 120.902 120.400 0.275 0.000 2.254 385 D HA -0.176 4.463 4.640 -0.001 0.000 0.201 385 D C 1.908 178.369 176.300 0.267 0.000 0.998 385 D CA 1.941 56.122 54.000 0.302 0.000 0.885 385 D CB 0.025 40.936 40.800 0.185 0.000 0.915 385 D HN 0.607 nan 8.370 nan 0.000 0.460 386 S N -0.528 115.271 115.700 0.166 0.000 2.500 386 S HA -0.057 4.412 4.470 -0.001 0.000 0.239 386 S C 2.118 176.813 174.600 0.159 0.000 0.989 386 S CA 1.001 59.311 58.200 0.182 0.000 0.951 386 S CB -0.603 62.664 63.200 0.112 0.000 0.759 386 S HN 0.284 nan 8.310 nan 0.000 0.523 387 G N 0.045 108.837 108.800 -0.012 0.000 2.471 387 G HA2 0.090 4.049 3.960 -0.001 0.000 0.219 387 G HA3 0.090 4.049 3.960 -0.001 0.000 0.219 387 G C 0.860 175.579 174.900 -0.301 0.000 1.125 387 G CA 0.586 45.523 45.100 -0.273 0.000 0.775 387 G HN 0.614 nan 8.290 nan 0.000 0.548 388 F N -0.052 120.061 119.950 0.271 0.000 2.479 388 F HA 0.455 4.981 4.527 -0.001 0.000 0.280 388 F C 1.420 177.632 175.800 0.687 0.000 0.982 388 F CA 0.637 58.861 58.000 0.373 0.000 1.276 388 F CB 0.252 39.101 39.000 -0.252 0.000 1.137 388 F HN 0.236 nan 8.300 nan 0.000 0.660 389 G N 0.465 109.643 108.800 0.629 0.000 3.084 389 G HA2 -0.017 3.942 3.960 -0.001 0.000 0.543 389 G HA3 -0.017 3.942 3.960 -0.001 0.000 0.543 389 G C -0.210 174.917 174.900 0.379 0.000 1.239 389 G CA -0.729 44.706 45.100 0.558 0.000 1.190 389 G HN 0.016 nan 8.290 nan 0.000 0.549 390 M N 1.721 121.434 119.600 0.189 0.000 2.460 390 M HA 0.134 4.613 4.480 -0.001 0.000 0.263 390 M C 2.344 178.632 176.300 -0.019 0.000 1.071 390 M CA 2.551 57.923 55.300 0.119 0.000 1.096 390 M CB -0.035 32.563 32.600 -0.003 0.000 1.408 390 M HN 0.726 nan 8.290 nan 0.000 0.463 391 G N -1.639 107.081 108.800 -0.134 0.000 2.471 391 G HA2 -0.184 3.775 3.960 -0.001 0.000 0.211 391 G HA3 -0.184 3.775 3.960 -0.001 0.000 0.211 391 G C 1.367 176.058 174.900 -0.347 0.000 1.194 391 G CA 0.059 44.859 45.100 -0.501 0.000 0.816 391 G HN 0.367 nan 8.290 nan 0.000 0.545 392 Y N 1.319 121.488 120.300 -0.218 0.000 2.139 392 Y HA -0.082 4.467 4.550 -0.001 0.000 0.282 392 Y C 1.714 177.448 175.900 -0.276 0.000 1.179 392 Y CA 0.843 58.795 58.100 -0.246 0.000 1.161 392 Y CB -0.593 37.812 38.460 -0.092 0.000 0.970 392 Y HN 0.168 nan 8.280 nan 0.000 0.511 393 F N 0.544 120.401 119.950 -0.155 0.000 2.693 393 F HA 0.379 4.905 4.527 -0.001 0.000 0.303 393 F C 1.262 176.972 175.800 -0.150 0.000 1.143 393 F CA 0.005 57.878 58.000 -0.211 0.000 1.389 393 F CB -0.602 38.334 39.000 -0.107 0.000 1.060 393 F HN 0.066 nan 8.300 nan 0.000 0.535 394 A N 0.443 123.215 122.820 -0.080 0.000 2.407 394 A HA 0.493 4.812 4.320 -0.001 0.000 0.248 394 A C 0.541 178.065 177.584 -0.100 0.000 1.082 394 A CA -0.021 51.950 52.037 -0.109 0.000 0.785 394 A CB 0.008 18.833 19.000 -0.291 0.000 1.020 394 A HN 0.261 nan 8.150 nan 0.000 0.489 395 T N -0.175 114.338 114.554 -0.069 0.000 2.942 395 T HA 0.693 5.043 4.350 -0.001 0.000 0.289 395 T C -3.048 171.630 174.700 -0.037 0.000 1.044 395 T CA -2.105 59.966 62.100 -0.049 0.000 1.023 395 T CB 1.254 70.095 68.868 -0.046 0.000 1.123 395 T HN 0.343 nan 8.240 nan 0.000 0.512 396 P HA 0.286 nan 4.420 nan 0.000 0.271 396 P C -0.594 176.701 177.300 -0.008 0.000 1.220 396 P CA -0.380 62.726 63.100 0.010 0.000 0.768 396 P CB 0.204 31.922 31.700 0.030 0.000 0.848 397 L N 4.315 125.549 121.223 0.019 0.000 2.410 397 L HA 0.171 4.510 4.340 -0.001 0.000 0.273 397 L C 0.683 177.539 176.870 -0.023 0.000 1.144 397 L CA -0.118 54.743 54.840 0.035 0.000 0.863 397 L CB -0.113 42.047 42.059 0.169 0.000 1.140 397 L HN 0.277 nan 8.230 nan 0.000 0.463 398 I N 4.532 125.074 120.570 -0.047 0.000 2.406 398 I HA 0.097 4.267 4.170 -0.001 0.000 0.293 398 I C 0.580 176.626 176.117 -0.119 0.000 1.101 398 I CA -0.244 61.005 61.300 -0.085 0.000 1.334 398 I CB -0.071 37.880 38.000 -0.082 0.000 1.421 398 I HN 0.526 nan 8.210 nan 0.000 0.513 399 R N 5.284 125.686 120.500 -0.162 0.000 2.502 399 R HA 0.174 4.514 4.340 -0.001 0.000 0.292 399 R C 1.238 177.235 176.300 -0.504 0.000 0.998 399 R CA 0.796 56.788 56.100 -0.180 0.000 1.056 399 R CB 0.156 30.392 30.300 -0.107 0.000 0.939 399 R HN 1.045 nan 8.270 nan 0.000 0.411 400 G N 1.175 109.488 108.800 -0.811 0.000 2.258 400 G HA2 -0.297 3.663 3.960 -0.001 0.000 0.233 400 G HA3 -0.297 3.663 3.960 -0.001 0.000 0.233 400 G C 0.581 175.140 174.900 -0.569 0.000 1.006 400 G CA 0.227 44.514 45.100 -1.356 0.000 0.620 400 G HN 0.444 nan 8.290 nan 0.000 0.511 401 V N 0.506 120.212 119.914 -0.347 0.000 2.721 401 V HA 0.163 4.282 4.120 -0.001 0.000 0.236 401 V C 2.171 178.156 176.094 -0.182 0.000 1.116 401 V CA 1.841 64.014 62.300 -0.212 0.000 1.148 401 V CB -0.156 31.581 31.823 -0.143 0.000 0.886 401 V HN 0.244 nan 8.190 nan 0.000 0.490 402 D N -0.521 119.792 120.400 -0.145 0.000 2.194 402 D HA 0.020 4.659 4.640 -0.001 0.000 0.204 402 D C 0.476 176.695 176.300 -0.134 0.000 0.964 402 D CA 0.971 54.906 54.000 -0.108 0.000 0.846 402 D CB 0.229 40.999 40.800 -0.050 0.000 0.962 402 D HN 0.396 nan 8.370 nan 0.000 0.490 403 c N -0.419 118.072 118.600 -0.182 0.000 3.171 403 c HA 0.411 4.981 4.570 -0.001 0.000 0.308 403 c C -2.443 171.382 174.090 -0.442 0.000 1.334 403 c CA -1.589 54.494 56.329 -0.410 0.000 1.473 403 c CB 1.991 44.349 42.510 -0.255 0.000 1.866 403 c HN -0.001 nan 8.230 nan 0.000 0.465 404 P HA 0.112 nan 4.420 nan 0.000 0.269 404 P C -0.020 177.192 177.300 -0.148 0.000 1.215 404 P CA 0.165 63.031 63.100 -0.391 0.000 0.780 404 P CB 0.261 31.729 31.700 -0.386 0.000 0.898 405 Y N 0.741 121.039 120.300 -0.002 0.000 2.207 405 Y HA -0.142 4.407 4.550 -0.001 0.000 0.287 405 Y C 1.761 177.741 175.900 0.133 0.000 1.156 405 Y CA 1.583 59.731 58.100 0.079 0.000 1.182 405 Y CB -0.818 37.664 38.460 0.036 0.000 0.979 405 Y HN 0.226 nan 8.280 nan 0.000 0.521 406 L N -0.549 120.808 121.223 0.224 0.000 2.653 406 L HA 0.284 4.623 4.340 -0.001 0.000 0.232 406 L C 1.038 177.990 176.870 0.138 0.000 1.169 406 L CA -0.450 54.495 54.840 0.175 0.000 0.951 406 L CB -0.756 41.383 42.059 0.134 0.000 1.181 406 L HN 0.021 nan 8.230 nan 0.000 0.460 407 A N -0.167 122.688 122.820 0.058 0.000 2.327 407 A HA 0.436 4.755 4.320 -0.001 0.000 0.255 407 A C 0.349 177.883 177.584 -0.084 0.000 1.099 407 A CA -0.035 51.980 52.037 -0.037 0.000 0.801 407 A CB 0.211 19.007 19.000 -0.340 0.000 1.062 407 A HN 0.158 nan 8.150 nan 0.000 0.496 408 T N 1.334 115.889 114.554 0.002 0.000 2.771 408 T HA 0.493 4.843 4.350 -0.001 0.000 0.291 408 T C -1.019 173.640 174.700 -0.067 0.000 0.954 408 T CA 0.562 62.702 62.100 0.066 0.000 1.045 408 T CB -0.140 68.842 68.868 0.190 0.000 0.917 408 T HN 0.361 nan 8.240 nan 0.000 0.484 409 Y N 2.306 122.728 120.300 0.204 0.000 2.420 409 Y HA 0.675 5.224 4.550 -0.001 0.000 0.334 409 Y C 0.141 176.205 175.900 0.272 0.000 1.094 409 Y CA -1.270 56.965 58.100 0.226 0.000 1.126 409 Y CB 1.412 39.983 38.460 0.185 0.000 1.217 409 Y HN 0.455 nan 8.280 nan 0.000 0.462 410 M N 1.841 121.760 119.600 0.530 0.000 2.518 410 M HA 0.358 4.837 4.480 -0.001 0.000 0.300 410 M C -1.257 175.409 176.300 0.610 0.000 1.175 410 M CA -0.640 55.006 55.300 0.577 0.000 0.890 410 M CB 1.716 34.720 32.600 0.674 0.000 1.710 410 M HN 0.462 nan 8.290 nan 0.000 0.453 411 D N 0.222 120.907 120.400 0.475 0.000 2.388 411 D HA 0.501 5.141 4.640 -0.001 0.000 0.254 411 D C -1.524 174.972 176.300 0.326 0.000 1.111 411 D CA 0.095 54.256 54.000 0.268 0.000 0.993 411 D CB 1.102 41.962 40.800 0.100 0.000 1.118 411 D HN 0.568 nan 8.370 nan 0.000 0.502 412 W N 0.014 121.176 121.300 -0.229 0.000 3.032 412 W HA 0.379 5.038 4.660 -0.001 0.000 0.335 412 W C -1.272 174.956 176.519 -0.485 0.000 1.154 412 W CA -0.441 56.805 57.345 -0.165 0.000 1.204 412 W CB 0.903 30.288 29.460 -0.125 0.000 1.416 412 W HN 0.319 nan 8.180 nan 0.000 0.521 413 H N 4.351 123.116 119.070 -0.508 0.000 2.637 413 H HA 0.706 5.261 4.556 -0.001 0.000 0.363 413 H C -0.796 174.020 175.328 -0.853 0.000 1.131 413 H CA -0.600 55.150 56.048 -0.497 0.000 1.183 413 H CB 1.661 31.246 29.762 -0.294 0.000 1.637 413 H HN 0.281 nan 8.280 nan 0.000 0.531 414 F N -0.418 119.094 119.950 -0.731 0.000 2.668 414 F HA 0.598 5.124 4.527 -0.001 0.000 0.309 414 F C -1.794 173.782 175.800 -0.373 0.000 1.117 414 F CA -1.291 56.272 58.000 -0.727 0.000 0.951 414 F CB 1.289 39.623 39.000 -1.110 0.000 1.323 414 F HN 0.451 nan 8.300 nan 0.000 0.451 415 V N 3.231 122.981 119.914 -0.273 0.000 2.398 415 V HA 0.792 4.911 4.120 -0.001 0.000 0.282 415 V C -1.999 173.966 176.094 -0.214 0.000 1.014 415 V CA -0.366 61.763 62.300 -0.284 0.000 0.838 415 V CB 1.174 32.871 31.823 -0.209 0.000 1.018 415 V HN 0.846 nan 8.190 nan 0.000 0.432 416 V N 5.465 125.239 119.914 -0.233 0.000 2.569 416 V HA 0.559 4.678 4.120 -0.001 0.000 0.301 416 V C 0.369 176.221 176.094 -0.402 0.000 1.044 416 V CA -0.501 61.495 62.300 -0.506 0.000 0.874 416 V CB 1.530 32.820 31.823 -0.888 0.000 1.002 416 V HN 0.978 nan 8.190 nan 0.000 0.424 417 E N 1.333 121.296 120.200 -0.394 0.000 2.586 417 E HA -0.206 4.143 4.350 -0.001 0.000 0.259 417 E C 0.132 176.717 176.600 -0.025 0.000 1.107 417 E CA 1.047 57.385 56.400 -0.104 0.000 0.754 417 E CB -0.624 29.121 29.700 0.075 0.000 1.335 417 E HN 0.708 nan 8.360 nan 0.000 0.411 418 S N -0.811 114.837 115.700 -0.087 0.000 2.547 418 S HA 0.305 4.774 4.470 -0.001 0.000 0.270 418 S C 0.151 174.696 174.600 -0.091 0.000 1.150 418 S CA -0.358 57.800 58.200 -0.069 0.000 0.850 418 S CB 1.785 64.927 63.200 -0.097 0.000 1.118 418 S HN 0.256 nan 8.310 nan 0.000 0.461 419 Q N 1.047 120.808 119.800 -0.065 0.000 2.319 419 Q HA 0.249 4.588 4.340 -0.001 0.000 0.202 419 Q C 0.001 175.955 176.000 -0.077 0.000 0.896 419 Q CA -0.168 55.597 55.803 -0.063 0.000 0.942 419 Q CB 0.070 28.787 28.738 -0.034 0.000 1.083 419 Q HN 0.638 nan 8.270 nan 0.000 0.510 420 T N -1.327 113.167 114.554 -0.101 0.000 2.861 420 T HA 0.535 4.884 4.350 -0.001 0.000 0.287 420 T C -2.951 171.636 174.700 -0.189 0.000 1.003 420 T CA -2.473 59.558 62.100 -0.115 0.000 0.977 420 T CB 1.872 70.689 68.868 -0.085 0.000 0.996 420 T HN -0.181 nan 8.240 nan 0.000 0.448 421 P HA 0.381 nan 4.420 nan 0.000 0.266 421 P C -0.590 176.491 177.300 -0.364 0.000 1.195 421 P CA -0.349 62.567 63.100 -0.306 0.000 0.768 421 P CB 0.412 31.977 31.700 -0.225 0.000 0.838 422 K N 0.880 120.885 120.400 -0.658 0.000 2.208 422 K HA 0.661 4.980 4.320 -0.001 0.000 0.247 422 K C -0.317 175.994 176.600 -0.481 0.000 0.953 422 K CA -0.556 55.355 56.287 -0.626 0.000 0.837 422 K CB 1.439 33.331 32.500 -1.013 0.000 1.131 422 K HN 0.371 nan 8.250 nan 0.000 0.431 423 T N 0.873 115.312 114.554 -0.192 0.000 2.856 423 T HA 0.476 4.825 4.350 -0.001 0.000 0.283 423 T C -1.084 173.526 174.700 -0.149 0.000 1.008 423 T CA -0.864 61.131 62.100 -0.175 0.000 0.997 423 T CB 0.504 69.299 68.868 -0.121 0.000 0.992 423 T HN 0.402 nan 8.240 nan 0.000 0.454 424 L N 4.936 126.127 121.223 -0.053 0.000 2.277 424 L HA 0.440 4.779 4.340 -0.001 0.000 0.284 424 L C -0.510 176.307 176.870 -0.088 0.000 1.028 424 L CA -0.761 54.111 54.840 0.053 0.000 0.835 424 L CB 0.209 42.409 42.059 0.235 0.000 1.215 424 L HN 0.913 nan 8.230 nan 0.000 0.425 425 H N 3.636 122.758 119.070 0.087 0.000 2.848 425 H HA 0.077 4.632 4.556 -0.001 0.000 0.341 425 H C -0.202 175.164 175.328 0.064 0.000 1.060 425 H CA 0.186 56.279 56.048 0.076 0.000 1.444 425 H CB 0.405 30.199 29.762 0.053 0.000 1.446 425 H HN 0.525 nan 8.280 nan 0.000 0.583 426 D N 1.226 121.750 120.400 0.206 0.000 2.705 426 D HA -0.188 4.451 4.640 -0.001 0.000 0.240 426 D C 0.822 177.205 176.300 0.139 0.000 1.137 426 D CA 0.871 54.995 54.000 0.206 0.000 0.677 426 D CB -1.187 39.641 40.800 0.047 0.000 1.049 426 D HN 0.757 nan 8.370 nan 0.000 0.427 427 A N -0.993 121.849 122.820 0.036 0.000 2.016 427 A HA 0.272 4.592 4.320 -0.001 0.000 0.217 427 A C 0.627 177.982 177.584 -0.382 0.000 1.162 427 A CA 0.761 52.631 52.037 -0.278 0.000 0.662 427 A CB 0.229 18.904 19.000 -0.541 0.000 0.812 427 A HN 0.265 nan 8.150 nan 0.000 0.450 428 F N -2.091 117.991 119.950 0.219 0.000 2.640 428 F HA 0.600 5.126 4.527 -0.001 0.000 0.324 428 F C 0.006 175.899 175.800 0.155 0.000 1.077 428 F CA -1.148 56.940 58.000 0.147 0.000 0.965 428 F CB 1.431 40.589 39.000 0.263 0.000 1.351 428 F HN 0.194 nan 8.300 nan 0.000 0.487 429 c N 0.012 118.767 118.600 0.258 0.000 3.171 429 c HA 0.931 5.500 4.570 -0.001 0.000 0.336 429 c C -1.732 172.434 174.090 0.127 0.000 1.198 429 c CA -0.839 55.517 56.329 0.045 0.000 1.319 429 c CB 0.934 43.352 42.510 -0.154 0.000 1.682 429 c HN 0.762 nan 8.230 nan 0.000 0.497 430 V N 3.534 123.510 119.914 0.104 0.000 2.709 430 V HA 0.941 5.060 4.120 -0.001 0.000 0.308 430 V C -0.436 175.743 176.094 0.141 0.000 1.062 430 V CA -0.123 62.201 62.300 0.040 0.000 0.901 430 V CB 1.589 33.384 31.823 -0.046 0.000 1.003 430 V HN 1.186 nan 8.190 nan 0.000 0.425 431 F N 0.772 120.584 119.950 -0.231 0.000 2.773 431 F HA 0.680 5.206 4.527 -0.001 0.000 0.314 431 F C -0.895 174.779 175.800 -0.209 0.000 1.160 431 F CA -1.112 56.818 58.000 -0.117 0.000 0.920 431 F CB 1.372 40.355 39.000 -0.028 0.000 1.323 431 F HN 0.381 nan 8.300 nan 0.000 0.457 432 E N 1.284 121.545 120.200 0.102 0.000 2.175 432 E HA 0.360 4.710 4.350 -0.001 0.000 0.278 432 E C -1.391 175.294 176.600 0.142 0.000 0.969 432 E CA -0.876 55.522 56.400 -0.004 0.000 0.796 432 E CB 2.050 31.812 29.700 0.103 0.000 1.104 432 E HN 0.565 nan 8.360 nan 0.000 0.395 433 Q N 2.818 122.622 119.800 0.006 0.000 2.312 433 Q HA 0.185 4.525 4.340 -0.001 0.000 0.263 433 Q C -1.084 174.935 176.000 0.031 0.000 0.995 433 Q CA -0.682 55.174 55.803 0.087 0.000 0.853 433 Q CB 1.193 29.962 28.738 0.051 0.000 1.300 433 Q HN 0.340 nan 8.270 nan 0.000 0.448 434 N N 3.543 122.279 118.700 0.059 0.000 2.439 434 N HA 0.125 4.864 4.740 -0.001 0.000 0.249 434 N C -0.118 175.414 175.510 0.037 0.000 1.003 434 N CA -0.055 53.022 53.050 0.045 0.000 0.942 434 N CB 0.790 39.310 38.487 0.055 0.000 1.115 434 N HN 0.619 nan 8.380 nan 0.000 0.505 435 K N 2.274 122.691 120.400 0.028 0.000 2.442 435 K HA -0.034 4.286 4.320 -0.001 0.000 0.198 435 K C 0.853 177.479 176.600 0.043 0.000 1.042 435 K CA 0.703 57.013 56.287 0.038 0.000 0.958 435 K CB -0.132 32.402 32.500 0.056 0.000 0.766 435 K HN 0.846 nan 8.250 nan 0.000 0.474 436 G N 1.655 110.480 108.800 0.042 0.000 2.155 436 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.257 436 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.257 436 G C -0.240 174.683 174.900 0.038 0.000 0.983 436 G CA 0.320 45.443 45.100 0.037 0.000 0.676 436 G HN 0.263 nan 8.290 nan 0.000 0.528 437 L N 1.639 122.891 121.223 0.048 0.000 2.356 437 L HA 0.699 5.039 4.340 -0.001 0.000 0.277 437 L C -2.000 174.903 176.870 0.056 0.000 0.996 437 L CA -2.549 52.320 54.840 0.049 0.000 0.822 437 L CB 1.647 43.741 42.059 0.058 0.000 1.256 437 L HN -0.057 nan 8.230 nan 0.000 0.413 438 P HA -0.016 nan 4.420 nan 0.000 0.268 438 P C 0.506 177.845 177.300 0.066 0.000 1.204 438 P CA -0.239 62.895 63.100 0.056 0.000 0.768 438 P CB 1.176 32.905 31.700 0.048 0.000 0.842 439 L N 4.031 125.301 121.223 0.077 0.000 2.005 439 L HA -0.035 4.304 4.340 -0.001 0.000 0.207 439 L C 1.196 178.110 176.870 0.073 0.000 1.072 439 L CA 1.681 56.575 54.840 0.090 0.000 0.744 439 L CB -0.306 41.816 42.059 0.105 0.000 0.895 439 L HN 0.501 nan 8.230 nan 0.000 0.433 440 R N -0.294 120.248 120.500 0.071 0.000 2.673 440 R HA 0.693 5.033 4.340 -0.001 0.000 0.281 440 R C -1.290 175.057 176.300 0.077 0.000 0.991 440 R CA -0.809 55.332 56.100 0.069 0.000 0.896 440 R CB 1.882 32.222 30.300 0.067 0.000 1.201 440 R HN 0.259 nan 8.270 nan 0.000 0.457 441 R N 0.640 121.194 120.500 0.090 0.000 2.833 441 R HA 0.408 4.747 4.340 -0.001 0.000 0.259 441 R C -2.000 174.395 176.300 0.159 0.000 1.047 441 R CA -0.880 55.285 56.100 0.109 0.000 0.916 441 R CB 0.940 31.286 30.300 0.077 0.000 1.259 441 R HN 0.862 nan 8.270 nan 0.000 0.482 442 H N 1.658 120.763 119.070 0.059 0.000 3.079 442 H HA 0.407 4.962 4.556 -0.001 0.000 0.356 442 H C -1.591 173.780 175.328 0.072 0.000 1.221 442 H CA -0.478 55.602 56.048 0.054 0.000 1.185 442 H CB 1.970 31.759 29.762 0.045 0.000 1.882 442 H HN 0.757 nan 8.280 nan 0.000 0.543 443 H N 1.580 120.178 119.070 -0.786 0.000 2.908 443 H HA 0.619 5.175 4.556 -0.001 0.000 0.350 443 H C -1.033 173.893 175.328 -0.670 0.000 1.217 443 H CA -0.134 55.534 56.048 -0.634 0.000 1.168 443 H CB 2.548 31.951 29.762 -0.598 0.000 1.891 443 H HN 0.715 nan 8.280 nan 0.000 0.566 444 S N 0.151 115.696 115.700 -0.259 0.000 2.843 444 S HA 0.250 4.719 4.470 -0.001 0.000 0.301 444 S C -0.738 173.898 174.600 0.060 0.000 1.206 444 S CA -0.876 57.334 58.200 0.017 0.000 0.875 444 S CB 1.304 64.605 63.200 0.168 0.000 1.248 444 S HN 0.636 nan 8.310 nan 0.000 0.555 445 D N 0.147 120.589 120.400 0.069 0.000 2.360 445 D HA 0.374 5.013 4.640 -0.001 0.000 0.289 445 D C -0.597 175.843 176.300 0.233 0.000 1.183 445 D CA -0.159 53.816 54.000 -0.042 0.000 1.082 445 D CB -0.017 40.777 40.800 -0.010 0.000 1.146 445 D HN 0.376 nan 8.370 nan 0.000 0.545 446 F N 0.017 120.048 119.950 0.134 0.000 2.420 446 F HA 0.176 4.702 4.527 -0.001 0.000 0.342 446 F C 0.255 176.136 175.800 0.134 0.000 1.113 446 F CA -1.030 57.062 58.000 0.154 0.000 1.059 446 F CB 1.049 40.118 39.000 0.116 0.000 1.128 446 F HN -0.128 nan 8.300 nan 0.000 0.475 447 L N 2.662 124.083 121.223 0.330 0.000 3.471 447 L HA -0.209 4.131 4.340 -0.001 0.000 0.454 447 L C -0.744 176.248 176.870 0.202 0.000 1.286 447 L CA 0.372 55.294 54.840 0.137 0.000 0.872 447 L CB -2.677 39.397 42.059 0.026 0.000 1.842 447 L HN 0.565 nan 8.230 nan 0.000 0.801 448 S N -0.321 115.561 115.700 0.303 0.000 2.652 448 S HA 0.424 4.894 4.470 -0.001 0.000 0.252 448 S C -0.220 174.506 174.600 0.210 0.000 1.219 448 S CA -0.445 58.002 58.200 0.411 0.000 1.151 448 S CB 1.117 64.532 63.200 0.358 0.000 1.080 448 S HN 0.345 nan 8.310 nan 0.000 0.481 449 H N 3.010 122.131 119.070 0.084 0.000 2.556 449 H HA 0.419 4.974 4.556 -0.001 0.000 0.240 449 H C -0.692 174.489 175.328 -0.245 0.000 1.543 449 H CA -0.632 55.235 56.048 -0.303 0.000 1.287 449 H CB -0.225 29.444 29.762 -0.155 0.000 1.529 449 H HN 0.706 nan 8.280 nan 0.000 0.553 450 Y N 1.139 120.968 120.300 -0.784 0.000 3.212 450 Y HA 0.198 4.748 4.550 -0.001 0.000 0.236 450 Y C -1.780 173.924 175.900 -0.328 0.000 0.985 450 Y CA -1.624 56.208 58.100 -0.446 0.000 1.205 450 Y CB -1.869 36.481 38.460 -0.183 0.000 1.268 450 Y HN 0.029 nan 8.280 nan 0.000 0.679 451 F N 0.343 120.103 119.950 -0.317 0.000 2.421 451 F HA 1.046 5.572 4.527 -0.001 0.000 0.337 451 F C 0.523 176.234 175.800 -0.149 0.000 1.105 451 F CA -1.282 56.556 58.000 -0.270 0.000 1.049 451 F CB 1.314 40.038 39.000 -0.460 0.000 1.139 451 F HN 0.348 nan 8.300 nan 0.000 0.479 452 G N 0.182 109.084 108.800 0.170 0.000 2.485 452 G HA2 0.622 4.581 3.960 -0.001 0.000 0.182 452 G HA3 0.622 4.581 3.960 -0.001 0.000 0.182 452 G C -0.721 174.242 174.900 0.105 0.000 1.172 452 G CA 0.035 45.212 45.100 0.128 0.000 0.996 452 G HN 1.526 nan 8.290 nan 0.000 0.496 453 G N -2.208 106.641 108.800 0.082 0.000 2.336 453 G HA2 0.609 4.568 3.960 -0.001 0.000 0.286 453 G HA3 0.609 4.568 3.960 -0.001 0.000 0.286 453 G C -1.843 173.096 174.900 0.064 0.000 1.269 453 G CA 0.727 45.873 45.100 0.075 0.000 0.873 453 G HN 1.898 nan 8.290 nan 0.000 0.494 454 V N -0.358 119.595 119.914 0.064 0.000 3.007 454 V HA 0.848 4.967 4.120 -0.001 0.000 0.311 454 V C 0.363 176.495 176.094 0.064 0.000 1.120 454 V CA 0.243 62.580 62.300 0.062 0.000 0.980 454 V CB 1.549 33.410 31.823 0.062 0.000 1.033 454 V HN 2.275 nan 8.190 nan 0.000 0.429 455 A N 3.741 126.598 122.820 0.061 0.000 2.366 455 A HA 0.520 4.839 4.320 -0.001 0.000 0.249 455 A C -0.029 177.596 177.584 0.069 0.000 1.084 455 A CA -0.171 51.903 52.037 0.061 0.000 0.794 455 A CB 0.407 19.440 19.000 0.055 0.000 1.034 455 A HN 0.945 nan 8.150 nan 0.000 0.491 456 Q N 0.746 120.588 119.800 0.071 0.000 2.430 456 Q HA 0.334 4.673 4.340 -0.001 0.000 0.245 456 Q C -0.605 175.425 176.000 0.049 0.000 1.021 456 Q CA -0.107 55.744 55.803 0.079 0.000 0.867 456 Q CB 0.572 29.373 28.738 0.105 0.000 1.210 456 Q HN 0.710 nan 8.270 nan 0.000 0.487 457 T N 2.805 117.387 114.554 0.047 0.000 2.767 457 T HA 0.459 4.808 4.350 -0.001 0.000 0.288 457 T C -1.149 173.535 174.700 -0.026 0.000 0.963 457 T CA -0.391 61.723 62.100 0.023 0.000 1.019 457 T CB 1.081 69.982 68.868 0.055 0.000 0.923 457 T HN 0.406 nan 8.240 nan 0.000 0.468 458 V N 6.081 125.924 119.914 -0.119 0.000 2.769 458 V HA 0.669 4.788 4.120 -0.001 0.000 0.312 458 V C -0.721 175.225 176.094 -0.247 0.000 1.061 458 V CA -1.051 61.098 62.300 -0.252 0.000 0.931 458 V CB 2.014 33.520 31.823 -0.528 0.000 1.010 458 V HN 0.860 nan 8.190 nan 0.000 0.433 459 L N 6.481 127.573 121.223 -0.218 0.000 2.265 459 L HA 0.610 4.950 4.340 -0.001 0.000 0.288 459 L C -0.565 176.127 176.870 -0.297 0.000 1.058 459 L CA 0.403 55.077 54.840 -0.278 0.000 0.809 459 L CB 1.362 43.316 42.059 -0.174 0.000 1.179 459 L HN 0.457 nan 8.230 nan 0.000 0.429 460 V N 5.787 125.369 119.914 -0.553 0.000 2.459 460 V HA 0.405 4.525 4.120 -0.001 0.000 0.295 460 V C -0.673 175.231 176.094 -0.318 0.000 1.029 460 V CA -0.595 61.379 62.300 -0.545 0.000 0.874 460 V CB 1.382 32.601 31.823 -1.006 0.000 0.985 460 V HN 0.597 nan 8.190 nan 0.000 0.438 461 F N 5.843 125.671 119.950 -0.202 0.000 2.427 461 F HA 0.738 5.264 4.527 -0.001 0.000 0.348 461 F C -0.238 175.557 175.800 -0.008 0.000 1.125 461 F CA -0.706 57.248 58.000 -0.077 0.000 0.989 461 F CB 0.842 39.861 39.000 0.032 0.000 1.165 461 F HN 0.434 nan 8.300 nan 0.000 0.442 462 R N 3.483 123.744 120.500 -0.398 0.000 2.795 462 R HA 0.774 5.114 4.340 -0.001 0.000 0.275 462 R C -1.419 174.713 176.300 -0.280 0.000 0.981 462 R CA -0.519 55.395 56.100 -0.310 0.000 0.917 462 R CB 2.228 32.524 30.300 -0.007 0.000 1.202 462 R HN 0.858 nan 8.270 nan 0.000 0.469 463 S N 0.163 115.776 115.700 -0.146 0.000 2.588 463 S HA 0.565 5.034 4.470 -0.001 0.000 0.269 463 S C -1.558 173.067 174.600 0.042 0.000 1.157 463 S CA -0.773 57.395 58.200 -0.054 0.000 0.824 463 S CB 2.034 65.183 63.200 -0.084 0.000 1.126 463 S HN 0.228 nan 8.310 nan 0.000 0.464 464 V N 1.578 121.498 119.914 0.011 0.000 2.577 464 V HA 0.648 4.767 4.120 -0.001 0.000 0.303 464 V C -0.356 175.758 176.094 0.034 0.000 1.042 464 V CA -0.544 61.744 62.300 -0.020 0.000 0.872 464 V CB 1.943 33.718 31.823 -0.079 0.000 0.998 464 V HN 0.974 nan 8.190 nan 0.000 0.423 465 S N 2.394 118.160 115.700 0.109 0.000 2.489 465 S HA 0.570 5.039 4.470 -0.001 0.000 0.291 465 S C 0.051 174.695 174.600 0.073 0.000 1.151 465 S CA -0.375 57.941 58.200 0.195 0.000 1.082 465 S CB 1.397 64.887 63.200 0.484 0.000 1.019 465 S HN 0.780 nan 8.310 nan 0.000 0.492 466 T N 4.888 119.481 114.554 0.064 0.000 2.963 466 T HA 0.304 4.654 4.350 -0.001 0.000 0.343 466 T C -0.365 174.360 174.700 0.041 0.000 1.146 466 T CA -0.515 61.577 62.100 -0.012 0.000 1.016 466 T CB 0.133 68.980 68.868 -0.034 0.000 1.046 466 T HN 0.393 nan 8.240 nan 0.000 0.496 467 M N 5.270 124.826 119.600 -0.074 0.000 2.206 467 M HA 0.294 4.773 4.480 -0.001 0.000 0.353 467 M C 0.543 176.674 176.300 -0.282 0.000 1.242 467 M CA -0.394 54.760 55.300 -0.243 0.000 1.179 467 M CB -0.139 32.335 32.600 -0.210 0.000 1.374 467 M HN 0.612 nan 8.290 nan 0.000 0.427 468 L N 2.721 123.820 121.223 -0.206 0.000 5.088 468 L HA -0.376 3.963 4.340 -0.001 0.000 0.053 468 L C 0.431 177.297 176.870 -0.006 0.000 3.354 468 L CA 2.445 57.211 54.840 -0.123 0.000 1.329 468 L CB -0.870 40.993 42.059 -0.326 0.000 3.096 468 L HN 0.960 nan 8.230 nan 0.000 0.972 472 Y N 0.932 121.035 120.300 -0.328 0.000 2.345 472 Y HA 0.471 5.021 4.550 -0.001 0.000 0.331 472 Y C 0.038 175.433 175.900 -0.841 0.000 0.959 472 Y CA -1.242 56.474 58.100 -0.641 0.000 1.204 472 Y CB 1.852 39.789 38.460 -0.872 0.000 1.135 472 Y HN 0.231 nan 8.280 nan 0.000 0.477 473 V N 4.350 123.972 119.914 -0.486 0.000 2.383 473 V HA 0.411 4.530 4.120 -0.001 0.000 0.275 473 V C -1.289 174.576 176.094 -0.381 0.000 1.036 473 V CA -0.798 61.284 62.300 -0.364 0.000 0.889 473 V CB 0.210 31.944 31.823 -0.149 0.000 0.985 473 V HN 0.723 nan 8.190 nan 0.000 0.459 474 W N 4.832 126.135 121.300 0.005 0.000 2.316 474 W HA 0.629 5.289 4.660 -0.001 0.000 0.308 474 W C -0.393 176.066 176.519 -0.100 0.000 1.106 474 W CA -0.526 56.802 57.345 -0.029 0.000 1.262 474 W CB 0.990 30.421 29.460 -0.050 0.000 1.233 474 W HN 0.499 nan 8.180 nan 0.000 0.447 475 D N 3.139 123.605 120.400 0.110 0.000 2.350 475 D HA 0.505 5.144 4.640 -0.001 0.000 0.245 475 D C -0.449 175.755 176.300 -0.160 0.000 1.036 475 D CA -0.541 53.433 54.000 -0.042 0.000 0.848 475 D CB 1.677 42.455 40.800 -0.036 0.000 1.307 475 D HN 0.216 nan 8.370 nan 0.000 0.469 476 M N 1.922 121.409 119.600 -0.188 0.000 2.106 476 M HA 0.301 4.781 4.480 -0.001 0.000 0.288 476 M C -0.971 175.057 176.300 -0.453 0.000 0.941 476 M CA -1.098 53.979 55.300 -0.372 0.000 0.934 476 M CB 2.107 34.612 32.600 -0.158 0.000 1.551 476 M HN 0.193 nan 8.290 nan 0.000 0.437 477 V N 0.817 120.328 119.914 -0.672 0.000 2.448 477 V HA 0.704 4.823 4.120 -0.001 0.000 0.295 477 V C -1.368 174.264 176.094 -0.769 0.000 1.025 477 V CA -0.493 61.479 62.300 -0.547 0.000 0.859 477 V CB 1.368 32.962 31.823 -0.381 0.000 0.988 477 V HN 0.612 nan 8.190 nan 0.000 0.431 478 F N 4.964 124.616 119.950 -0.497 0.000 2.411 478 F HA 0.687 5.214 4.527 -0.001 0.000 0.352 478 F C -0.088 175.616 175.800 -0.160 0.000 1.123 478 F CA -0.823 56.819 58.000 -0.597 0.000 1.044 478 F CB 0.965 39.090 39.000 -1.457 0.000 1.135 478 F HN 0.500 nan 8.300 nan 0.000 0.461 479 Y N 3.976 124.428 120.300 0.253 0.000 2.316 479 Y HA 0.259 4.808 4.550 -0.001 0.000 0.324 479 Y C -1.225 175.051 175.900 0.626 0.000 1.267 479 Y CA -2.150 56.165 58.100 0.359 0.000 1.311 479 Y CB 0.469 39.069 38.460 0.233 0.000 1.267 479 Y HN 0.362 nan 8.280 nan 0.000 0.516 480 P HA -0.095 nan 4.420 nan 0.000 0.237 480 P C 0.104 177.637 177.300 0.388 0.000 1.178 480 P CA 1.141 64.522 63.100 0.468 0.000 0.766 480 P CB 0.279 32.151 31.700 0.287 0.000 0.876 481 N N -0.765 118.108 118.700 0.289 0.000 2.230 481 N HA 0.102 4.841 4.740 -0.001 0.000 0.202 481 N C 1.233 176.624 175.510 -0.198 0.000 1.119 481 N CA 0.414 53.505 53.050 0.069 0.000 0.851 481 N CB -0.380 38.147 38.487 0.067 0.000 0.990 481 N HN 0.159 nan 8.380 nan 0.000 0.497 482 G N -1.042 107.511 108.800 -0.413 0.000 2.179 482 G HA2 -0.123 3.836 3.960 -0.001 0.000 0.220 482 G HA3 -0.123 3.836 3.960 -0.001 0.000 0.220 482 G C 0.142 175.151 174.900 0.182 0.000 0.990 482 G CA 0.017 44.625 45.100 -0.819 0.000 0.646 482 G HN 0.770 nan 8.290 nan 0.000 0.517 483 A N 0.050 123.042 122.820 0.286 0.000 2.316 483 A HA 0.823 5.142 4.320 -0.001 0.000 0.284 483 A C 0.107 177.858 177.584 0.277 0.000 1.115 483 A CA -0.173 52.007 52.037 0.238 0.000 0.812 483 A CB 0.562 19.546 19.000 -0.026 0.000 1.064 483 A HN 0.765 nan 8.150 nan 0.000 0.489 484 I N 0.917 121.531 120.570 0.072 0.000 2.465 484 I HA 0.363 4.533 4.170 -0.001 0.000 0.291 484 I C -0.128 175.743 176.117 -0.409 0.000 1.014 484 I CA -0.266 60.869 61.300 -0.275 0.000 1.093 484 I CB 2.010 39.749 38.000 -0.434 0.000 1.267 484 I HN 0.822 nan 8.210 nan 0.000 0.431 485 E N 5.913 125.763 120.200 -0.584 0.000 2.176 485 E HA 0.568 4.918 4.350 -0.001 0.000 0.267 485 E C -1.805 174.257 176.600 -0.896 0.000 0.893 485 E CA -0.594 55.237 56.400 -0.948 0.000 0.761 485 E CB 2.128 31.314 29.700 -0.857 0.000 1.133 485 E HN 0.364 nan 8.360 nan 0.000 0.409 486 V N 5.516 124.746 119.914 -1.141 0.000 2.444 486 V HA 0.474 4.593 4.120 -0.001 0.000 0.294 486 V C -0.330 175.200 176.094 -0.940 0.000 1.022 486 V CA -0.760 60.867 62.300 -1.122 0.000 0.850 486 V CB 1.459 32.256 31.823 -1.709 0.000 0.992 486 V HN 0.589 nan 8.190 nan 0.000 0.426 487 K N 3.707 123.786 120.400 -0.534 0.000 2.482 487 K HA 0.697 5.016 4.320 -0.001 0.000 0.257 487 K C -1.397 175.106 176.600 -0.160 0.000 0.969 487 K CA -0.861 55.202 56.287 -0.373 0.000 0.842 487 K CB 3.070 35.332 32.500 -0.397 0.000 1.359 487 K HN 0.535 nan 8.250 nan 0.000 0.441 488 L N 1.346 122.459 121.223 -0.184 0.000 2.362 488 L HA 0.501 4.840 4.340 -0.001 0.000 0.275 488 L C -1.199 175.447 176.870 -0.373 0.000 0.998 488 L CA -0.010 54.756 54.840 -0.123 0.000 0.820 488 L CB 1.338 43.472 42.059 0.125 0.000 1.270 488 L HN 0.491 nan 8.230 nan 0.000 0.415 489 H N 4.414 123.401 119.070 -0.139 0.000 2.658 489 H HA 0.692 5.248 4.556 -0.001 0.000 0.337 489 H C -0.874 174.363 175.328 -0.152 0.000 1.009 489 H CA -0.510 55.457 56.048 -0.135 0.000 1.231 489 H CB 1.986 31.659 29.762 -0.149 0.000 1.508 489 H HN 0.903 nan 8.280 nan 0.000 0.517 490 A N 2.962 125.772 122.820 -0.017 0.000 2.290 490 A HA 0.565 4.884 4.320 -0.001 0.000 0.310 490 A C 0.325 177.826 177.584 -0.138 0.000 1.202 490 A CA -0.370 51.600 52.037 -0.112 0.000 0.837 490 A CB 1.272 20.209 19.000 -0.104 0.000 1.139 490 A HN 0.655 nan 8.150 nan 0.000 0.509 491 T N 0.404 114.835 114.554 -0.204 0.000 2.681 491 T HA 0.799 5.149 4.350 -0.001 0.000 0.296 491 T C 0.307 174.887 174.700 -0.200 0.000 1.157 491 T CA 1.008 63.014 62.100 -0.157 0.000 1.025 491 T CB 1.053 69.830 68.868 -0.152 0.000 1.441 491 T HN 2.596 nan 8.240 nan 0.000 0.504 492 G N 0.056 108.741 108.800 -0.193 0.000 2.460 492 G HA2 -0.005 3.955 3.960 -0.001 0.000 0.207 492 G HA3 -0.005 3.955 3.960 -0.001 0.000 0.207 492 G C -1.518 173.307 174.900 -0.125 0.000 1.170 492 G CA -0.229 44.671 45.100 -0.333 0.000 1.151 492 G HN 0.877 nan 8.290 nan 0.000 0.575 493 Y N 0.436 120.730 120.300 -0.011 0.000 2.499 493 Y HA 0.647 5.196 4.550 -0.001 0.000 0.347 493 Y C 1.035 176.961 175.900 0.043 0.000 0.987 493 Y CA -1.083 57.029 58.100 0.020 0.000 1.044 493 Y CB 1.870 40.342 38.460 0.021 0.000 1.245 493 Y HN 0.737 nan 8.280 nan 0.000 0.461 494 I N 0.159 120.862 120.570 0.222 0.000 2.612 494 I HA 0.513 4.682 4.170 -0.001 0.000 0.295 494 I C 0.022 176.199 176.117 0.099 0.000 1.011 494 I CA -0.513 60.868 61.300 0.136 0.000 1.326 494 I CB 1.544 39.597 38.000 0.089 0.000 1.427 494 I HN 0.557 nan 8.210 nan 0.000 0.537 495 S N 4.033 119.753 115.700 0.034 0.000 2.513 495 S HA 0.482 4.952 4.470 -0.001 0.000 0.276 495 S C -0.071 174.550 174.600 0.035 0.000 1.254 495 S CA -0.631 57.560 58.200 -0.015 0.000 1.053 495 S CB 1.105 64.180 63.200 -0.210 0.000 0.958 495 S HN 0.736 nan 8.310 nan 0.000 0.491 496 S N 1.583 117.359 115.700 0.126 0.000 2.718 496 S HA 0.909 5.378 4.470 -0.001 0.000 0.300 496 S C -0.185 174.520 174.600 0.175 0.000 1.117 496 S CA -0.630 57.652 58.200 0.138 0.000 1.002 496 S CB 1.446 64.724 63.200 0.130 0.000 1.092 496 S HN 1.244 nan 8.310 nan 0.000 0.542 497 A N 0.782 123.667 122.820 0.109 0.000 2.454 497 A HA 0.727 5.046 4.320 -0.001 0.000 0.302 497 A C -0.990 176.667 177.584 0.121 0.000 1.079 497 A CA -0.713 51.384 52.037 0.101 0.000 0.731 497 A CB 0.597 19.626 19.000 0.048 0.000 1.299 497 A HN 0.697 nan 8.150 nan 0.000 0.413 498 F N 1.698 121.667 119.950 0.032 0.000 2.538 498 F HA 0.404 4.930 4.527 -0.001 0.000 0.371 498 F C 0.024 175.927 175.800 0.172 0.000 1.087 498 F CA -0.230 57.807 58.000 0.061 0.000 1.250 498 F CB 0.418 39.414 39.000 -0.008 0.000 1.110 498 F HN 0.493 nan 8.300 nan 0.000 0.570 499 L N 9.082 129.918 121.223 -0.646 0.000 2.319 499 L HA 0.412 4.752 4.340 -0.001 0.000 0.280 499 L C -0.915 175.749 176.870 -0.343 0.000 1.099 499 L CA 0.036 54.640 54.840 -0.392 0.000 0.828 499 L CB 0.012 41.890 42.059 -0.302 0.000 1.150 499 L HN 0.635 nan 8.230 nan 0.000 0.442 500 F N 3.552 123.401 119.950 -0.168 0.000 2.770 500 F HA 0.759 5.285 4.527 -0.001 0.000 0.313 500 F C 0.372 176.197 175.800 0.042 0.000 1.154 500 F CA -0.317 57.669 58.000 -0.023 0.000 0.923 500 F CB 0.099 39.188 39.000 0.148 0.000 1.301 500 F HN 0.842 nan 8.300 nan 0.000 0.449 501 G N 1.035 109.758 108.800 -0.129 0.000 2.627 501 G HA2 -0.027 3.932 3.960 -0.001 0.000 0.312 501 G HA3 -0.027 3.932 3.960 -0.001 0.000 0.312 501 G C 0.728 175.475 174.900 -0.255 0.000 1.299 501 G CA 1.019 45.980 45.100 -0.232 0.000 0.989 501 G HN 2.170 nan 8.290 nan 0.000 0.547 502 A N 0.496 123.182 122.820 -0.223 0.000 2.233 502 A HA 0.581 4.900 4.320 -0.001 0.000 0.230 502 A C 2.417 179.944 177.584 -0.095 0.000 1.347 502 A CA 1.423 53.390 52.037 -0.117 0.000 1.087 502 A CB -1.082 17.899 19.000 -0.031 0.000 0.871 502 A HN 2.186 nan 8.150 nan 0.000 0.519 503 A N 1.135 123.851 122.820 -0.174 0.000 1.903 503 A HA -0.253 4.066 4.320 -0.001 0.000 0.219 503 A C 2.150 179.727 177.584 -0.013 0.000 1.191 503 A CA 1.745 53.739 52.037 -0.071 0.000 0.638 503 A CB -0.475 18.439 19.000 -0.144 0.000 0.823 503 A HN 0.640 nan 8.150 nan 0.000 0.451 504 R N -1.151 119.300 120.500 -0.081 0.000 2.293 504 R HA -0.088 4.252 4.340 -0.001 0.000 0.219 504 R C 2.178 178.380 176.300 -0.163 0.000 1.091 504 R CA 1.138 57.184 56.100 -0.090 0.000 1.004 504 R CB -0.282 29.969 30.300 -0.082 0.000 0.865 504 R HN 0.578 nan 8.270 nan 0.000 0.469 505 R N -0.018 120.301 120.500 -0.301 0.000 2.236 505 R HA -0.091 4.249 4.340 -0.001 0.000 0.208 505 R C 0.402 176.260 176.300 -0.737 0.000 1.036 505 R CA 1.065 56.828 56.100 -0.561 0.000 1.001 505 R CB 0.281 30.108 30.300 -0.789 0.000 0.896 505 R HN 0.226 nan 8.270 nan 0.000 0.464 506 Y N -1.537 118.728 120.300 -0.058 0.000 2.660 506 Y HA 0.476 5.025 4.550 -0.001 0.000 0.254 506 Y C 0.650 176.535 175.900 -0.023 0.000 1.176 506 Y CA 0.058 58.134 58.100 -0.041 0.000 1.195 506 Y CB 1.499 39.931 38.460 -0.047 0.000 1.190 506 Y HN 0.154 nan 8.280 nan 0.000 0.535 507 G N -0.295 108.532 108.800 0.044 0.000 2.351 507 G HA2 0.078 4.037 3.960 -0.001 0.000 0.279 507 G HA3 0.078 4.037 3.960 -0.001 0.000 0.279 507 G C -1.872 173.038 174.900 0.018 0.000 1.297 507 G CA -1.091 44.037 45.100 0.046 0.000 0.886 507 G HN -0.075 nan 8.290 nan 0.000 0.493 508 N N 0.385 119.102 118.700 0.029 0.000 2.272 508 N HA 0.426 5.165 4.740 -0.001 0.000 0.305 508 N C -0.612 174.902 175.510 0.007 0.000 1.103 508 N CA -0.566 52.495 53.050 0.019 0.000 0.791 508 N CB 2.289 40.805 38.487 0.048 0.000 1.356 508 N HN 0.738 nan 8.380 nan 0.000 0.486 509 Q N 0.907 120.700 119.800 -0.012 0.000 2.304 509 Q HA 0.239 4.578 4.340 -0.001 0.000 0.260 509 Q C 0.356 176.346 176.000 -0.016 0.000 0.965 509 Q CA -0.179 55.607 55.803 -0.029 0.000 0.898 509 Q CB 0.618 29.326 28.738 -0.050 0.000 1.196 509 Q HN 0.567 nan 8.270 nan 0.000 0.402 510 V N 0.603 120.505 119.914 -0.020 0.000 3.253 510 V HA 0.673 4.792 4.120 -0.001 0.000 0.320 510 V C 0.217 176.296 176.094 -0.026 0.000 1.442 510 V CA 0.446 62.737 62.300 -0.014 0.000 1.097 510 V CB 0.249 32.066 31.823 -0.010 0.000 1.008 510 V HN 0.735 nan 8.190 nan 0.000 0.463 511 G N 0.291 109.068 108.800 -0.039 0.000 2.428 511 G HA2 0.507 4.466 3.960 -0.001 0.000 0.304 511 G HA3 0.507 4.466 3.960 -0.001 0.000 0.304 511 G C -1.912 172.945 174.900 -0.070 0.000 1.303 511 G CA -0.759 44.317 45.100 -0.040 0.000 0.825 511 G HN 0.262 nan 8.290 nan 0.000 0.484 512 E N 0.980 121.141 120.200 -0.064 0.000 2.316 512 E HA 0.442 4.791 4.350 -0.001 0.000 0.275 512 E C 0.180 176.699 176.600 -0.135 0.000 1.029 512 E CA -0.371 55.925 56.400 -0.173 0.000 0.871 512 E CB 0.266 29.911 29.700 -0.092 0.000 1.022 512 E HN 0.579 nan 8.360 nan 0.000 0.418 513 H N -0.078 118.942 119.070 -0.082 0.000 3.100 513 H HA -0.169 4.386 4.556 -0.001 0.000 0.271 513 H C -0.538 174.637 175.328 -0.254 0.000 1.116 513 H CA 1.458 57.372 56.048 -0.224 0.000 1.177 513 H CB -1.884 27.824 29.762 -0.089 0.000 1.294 513 H HN 0.432 nan 8.280 nan 0.000 0.334 514 T N 1.292 115.801 114.554 -0.075 0.000 2.792 514 T HA 0.540 4.889 4.350 -0.001 0.000 0.280 514 T C 0.334 175.005 174.700 -0.049 0.000 0.990 514 T CA -0.684 61.392 62.100 -0.041 0.000 0.960 514 T CB 2.288 71.153 68.868 -0.004 0.000 0.939 514 T HN 0.153 nan 8.240 nan 0.000 0.439 515 L N 2.832 124.038 121.223 -0.028 0.000 2.325 515 L HA 0.812 5.151 4.340 -0.001 0.000 0.278 515 L C 0.347 177.231 176.870 0.022 0.000 1.023 515 L CA -0.108 54.726 54.840 -0.010 0.000 0.811 515 L CB 1.260 43.314 42.059 -0.008 0.000 1.249 515 L HN 0.733 nan 8.230 nan 0.000 0.431 516 G N 4.821 113.636 108.800 0.026 0.000 2.504 516 G HA2 0.477 4.436 3.960 -0.001 0.000 0.326 516 G HA3 0.477 4.436 3.960 -0.001 0.000 0.326 516 G C -2.728 172.212 174.900 0.068 0.000 1.073 516 G CA -1.085 44.039 45.100 0.040 0.000 1.030 516 G HN 0.505 nan 8.290 nan 0.000 0.448 517 P HA 0.141 nan 4.420 nan 0.000 0.271 517 P C 0.616 178.043 177.300 0.210 0.000 1.216 517 P CA -0.156 63.043 63.100 0.165 0.000 0.776 517 P CB 1.506 33.321 31.700 0.192 0.000 0.881 518 V N 3.310 123.306 119.914 0.137 0.000 2.901 518 V HA 0.213 4.332 4.120 -0.001 0.000 0.307 518 V C 0.716 176.796 176.094 -0.023 0.000 1.084 518 V CA 0.460 62.784 62.300 0.040 0.000 1.184 518 V CB -0.805 31.024 31.823 0.012 0.000 0.941 518 V HN 0.897 nan 8.190 nan 0.000 0.493 519 H N 0.562 119.419 119.070 -0.355 0.000 3.024 519 H HA 0.547 5.102 4.556 -0.001 0.000 0.324 519 H C -0.761 174.310 175.328 -0.429 0.000 1.347 519 H CA -0.333 55.352 56.048 -0.606 0.000 1.182 519 H CB 1.197 30.144 29.762 -1.357 0.000 1.889 519 H HN 0.762 nan 8.280 nan 0.000 0.528 520 T N -0.612 113.694 114.554 -0.413 0.000 2.945 520 T HA 0.428 4.777 4.350 -0.001 0.000 0.286 520 T C -0.468 173.958 174.700 -0.457 0.000 1.025 520 T CA -0.767 61.111 62.100 -0.370 0.000 1.039 520 T CB 1.946 70.687 68.868 -0.212 0.000 1.068 520 T HN 0.648 nan 8.240 nan 0.000 0.497 521 H N 0.551 119.380 119.070 -0.402 0.000 2.547 521 H HA 0.627 5.182 4.556 -0.001 0.000 0.342 521 H C -0.740 174.522 175.328 -0.110 0.000 1.048 521 H CA -0.547 55.340 56.048 -0.268 0.000 1.204 521 H CB 2.071 31.508 29.762 -0.542 0.000 1.493 521 H HN 0.633 nan 8.280 nan 0.000 0.511 522 S N 1.185 116.996 115.700 0.185 0.000 2.570 522 S HA 0.809 5.278 4.470 -0.001 0.000 0.286 522 S C -0.790 174.034 174.600 0.372 0.000 1.099 522 S CA -0.641 57.745 58.200 0.311 0.000 0.913 522 S CB 2.335 65.732 63.200 0.328 0.000 1.085 522 S HN 0.796 nan 8.310 nan 0.000 0.480 523 A N 1.865 124.914 122.820 0.382 0.000 2.515 523 A HA 0.745 5.064 4.320 -0.001 0.000 0.298 523 A C -1.481 176.149 177.584 0.077 0.000 1.059 523 A CA -0.518 51.609 52.037 0.150 0.000 0.698 523 A CB 1.290 20.442 19.000 0.254 0.000 1.289 523 A HN 0.872 nan 8.150 nan 0.000 0.404 524 H N 0.654 119.386 119.070 -0.563 0.000 2.600 524 H HA 0.622 5.177 4.556 -0.001 0.000 0.357 524 H C -1.833 173.216 175.328 -0.464 0.000 1.106 524 H CA -0.241 55.484 56.048 -0.538 0.000 1.193 524 H CB 1.352 30.326 29.762 -1.314 0.000 1.594 524 H HN 0.645 nan 8.280 nan 0.000 0.526 525 Y N 2.020 122.054 120.300 -0.443 0.000 2.485 525 Y HA 0.238 4.788 4.550 -0.001 0.000 0.345 525 Y C -0.088 175.581 175.900 -0.384 0.000 0.998 525 Y CA -0.863 57.064 58.100 -0.289 0.000 1.059 525 Y CB 1.822 40.284 38.460 0.002 0.000 1.234 525 Y HN 0.402 nan 8.280 nan 0.000 0.461 526 K N 2.187 122.475 120.400 -0.188 0.000 2.265 526 K HA 0.647 4.966 4.320 -0.001 0.000 0.267 526 K C -1.782 174.574 176.600 -0.406 0.000 0.994 526 K CA -0.483 55.510 56.287 -0.491 0.000 0.860 526 K CB 0.815 33.020 32.500 -0.491 0.000 1.099 526 K HN 0.543 nan 8.250 nan 0.000 0.448 527 V N 4.144 123.762 119.914 -0.493 0.000 2.289 527 V HA 0.076 4.195 4.120 -0.001 0.000 0.272 527 V C -0.486 175.420 176.094 -0.313 0.000 1.026 527 V CA -0.867 61.230 62.300 -0.339 0.000 0.807 527 V CB 0.929 32.538 31.823 -0.356 0.000 1.044 527 V HN 0.734 nan 8.190 nan 0.000 0.443 528 D N 4.793 125.044 120.400 -0.249 0.000 2.558 528 D HA 0.254 4.893 4.640 -0.001 0.000 0.221 528 D C 0.109 176.377 176.300 -0.054 0.000 1.143 528 D CA -0.043 53.872 54.000 -0.142 0.000 1.010 528 D CB 0.191 40.964 40.800 -0.046 0.000 1.068 528 D HN 0.424 nan 8.370 nan 0.000 0.511 529 L N 1.938 123.125 121.223 -0.061 0.000 2.416 529 L HA 0.185 4.525 4.340 -0.001 0.000 0.272 529 L C 0.272 177.164 176.870 0.036 0.000 1.161 529 L CA 0.123 54.949 54.840 -0.024 0.000 0.845 529 L CB 0.690 42.744 42.059 -0.009 0.000 1.119 529 L HN 0.103 nan 8.230 nan 0.000 0.464 530 D N 2.338 122.775 120.400 0.062 0.000 2.434 530 D HA 0.199 4.838 4.640 -0.001 0.000 0.275 530 D C -0.614 175.776 176.300 0.149 0.000 1.172 530 D CA -0.199 53.864 54.000 0.103 0.000 0.916 530 D CB 1.288 42.157 40.800 0.115 0.000 1.041 530 D HN 0.009 nan 8.370 nan 0.000 0.501 531 V N 1.139 121.170 119.914 0.196 0.000 2.403 531 V HA 0.338 4.457 4.120 -0.001 0.000 0.265 531 V C 1.654 177.942 176.094 0.324 0.000 1.034 531 V CA 0.204 62.696 62.300 0.320 0.000 1.036 531 V CB 0.476 32.531 31.823 0.387 0.000 1.032 531 V HN 0.783 nan 8.190 nan 0.000 0.478 532 G N 3.437 112.440 108.800 0.338 0.000 2.203 532 G HA2 0.133 4.092 3.960 -0.001 0.000 0.263 532 G HA3 0.133 4.092 3.960 -0.001 0.000 0.263 532 G C 0.742 175.732 174.900 0.149 0.000 1.012 532 G CA 0.277 45.484 45.100 0.178 0.000 0.749 532 G HN 2.184 nan 8.290 nan 0.000 0.512 533 G N -2.567 106.328 108.800 0.158 0.000 2.331 533 G HA2 0.245 4.204 3.960 -0.001 0.000 0.402 533 G HA3 0.245 4.204 3.960 -0.001 0.000 0.402 533 G C 0.301 175.268 174.900 0.112 0.000 1.275 533 G CA 0.016 45.188 45.100 0.121 0.000 1.003 533 G HN 1.025 nan 8.290 nan 0.000 0.500 534 L N 0.653 121.920 121.223 0.073 0.000 2.044 534 L HA 0.256 4.595 4.340 -0.001 0.000 0.205 534 L C 1.726 178.607 176.870 0.020 0.000 1.075 534 L CA 1.698 56.560 54.840 0.036 0.000 0.747 534 L CB -0.498 41.562 42.059 0.001 0.000 0.903 534 L HN 0.656 nan 8.230 nan 0.000 0.435 535 E N 0.953 121.167 120.200 0.023 0.000 2.292 535 E HA 0.034 4.384 4.350 -0.001 0.000 0.265 535 E C -0.519 176.083 176.600 0.003 0.000 1.093 535 E CA 0.175 56.540 56.400 -0.058 0.000 0.922 535 E CB -0.069 29.620 29.700 -0.019 0.000 1.001 535 E HN 0.414 nan 8.360 nan 0.000 0.444 536 N N 2.489 121.112 118.700 -0.130 0.000 2.312 536 N HA 0.432 5.171 4.740 -0.001 0.000 0.296 536 N C -1.080 174.381 175.510 -0.081 0.000 1.193 536 N CA -0.830 52.274 53.050 0.089 0.000 0.773 536 N CB 1.712 40.281 38.487 0.136 0.000 1.435 536 N HN 0.278 nan 8.380 nan 0.000 0.484 537 W N 0.818 122.172 121.300 0.090 0.000 2.864 537 W HA 0.511 5.170 4.660 -0.001 0.000 0.343 537 W C -0.965 175.549 176.519 -0.009 0.000 1.109 537 W CA -0.582 56.757 57.345 -0.010 0.000 1.192 537 W CB 1.732 31.152 29.460 -0.066 0.000 1.426 537 W HN 0.057 nan 8.180 nan 0.000 0.529 538 V N 1.689 121.656 119.914 0.089 0.000 2.398 538 V HA 0.292 4.412 4.120 -0.001 0.000 0.286 538 V C -1.006 174.997 176.094 -0.152 0.000 1.026 538 V CA -0.330 61.986 62.300 0.026 0.000 0.868 538 V CB 1.005 32.855 31.823 0.045 0.000 0.982 538 V HN 0.411 nan 8.190 nan 0.000 0.443 539 W N 2.813 123.941 121.300 -0.287 0.000 2.632 539 W HA 0.742 5.401 4.660 -0.001 0.000 0.328 539 W C -0.056 176.278 176.519 -0.309 0.000 1.044 539 W CA -0.544 56.557 57.345 -0.406 0.000 1.225 539 W CB 1.932 30.860 29.460 -0.886 0.000 1.396 539 W HN 0.597 nan 8.180 nan 0.000 0.499 540 A N 3.234 126.157 122.820 0.172 0.000 2.267 540 A HA 0.653 4.972 4.320 -0.001 0.000 0.315 540 A C -0.659 177.039 177.584 0.190 0.000 1.297 540 A CA -0.592 51.532 52.037 0.145 0.000 0.865 540 A CB 0.540 19.627 19.000 0.145 0.000 1.165 540 A HN 0.660 nan 8.150 nan 0.000 0.513 541 E N 1.741 122.050 120.200 0.182 0.000 2.256 541 E HA 0.571 4.920 4.350 -0.001 0.000 0.267 541 E C -1.286 175.366 176.600 0.086 0.000 0.892 541 E CA -0.769 55.718 56.400 0.145 0.000 0.775 541 E CB 2.414 32.201 29.700 0.146 0.000 1.207 541 E HN 0.700 nan 8.360 nan 0.000 0.420 542 D N 0.630 121.045 120.400 0.025 0.000 2.946 542 D HA 0.354 4.994 4.640 -0.001 0.000 0.337 542 D C -1.198 175.067 176.300 -0.057 0.000 1.332 542 D CA -0.436 53.566 54.000 0.004 0.000 0.935 542 D CB 1.729 42.545 40.800 0.026 0.000 1.440 542 D HN 0.440 nan 8.370 nan 0.000 0.540 543 M N -0.126 119.431 119.600 -0.072 0.000 2.777 543 M HA 0.895 5.374 4.480 -0.001 0.000 0.307 543 M C -1.142 175.068 176.300 -0.150 0.000 1.228 543 M CA -0.706 54.501 55.300 -0.155 0.000 0.871 543 M CB 2.573 35.043 32.600 -0.217 0.000 1.721 543 M HN 0.324 nan 8.290 nan 0.000 0.487 544 A N 0.943 123.612 122.820 -0.251 0.000 2.608 544 A HA 0.810 5.130 4.320 -0.001 0.000 0.292 544 A C -2.172 175.262 177.584 -0.251 0.000 1.066 544 A CA -0.674 51.274 52.037 -0.148 0.000 0.676 544 A CB 1.284 20.265 19.000 -0.031 0.000 1.277 544 A HN 0.806 nan 8.150 nan 0.000 0.413 545 F N 0.547 120.505 119.950 0.014 0.000 2.482 545 F HA 0.626 5.152 4.527 -0.001 0.000 0.331 545 F C -0.090 175.716 175.800 0.010 0.000 1.115 545 F CA -0.627 57.379 58.000 0.011 0.000 0.955 545 F CB 2.526 41.532 39.000 0.010 0.000 1.136 545 F HN 0.316 nan 8.300 nan 0.000 0.452 546 V N 4.848 124.883 119.914 0.202 0.000 2.525 546 V HA 0.383 4.503 4.120 -0.001 0.000 0.299 546 V C -2.297 173.852 176.094 0.091 0.000 1.034 546 V CA -1.950 60.417 62.300 0.112 0.000 0.863 546 V CB 2.107 33.971 31.823 0.068 0.000 0.999 546 V HN 0.469 nan 8.190 nan 0.000 0.423 547 P HA 0.291 nan 4.420 nan 0.000 0.276 547 P C -0.479 176.831 177.300 0.016 0.000 1.235 547 P CA 0.163 63.283 63.100 0.033 0.000 0.772 547 P CB 1.013 32.721 31.700 0.013 0.000 0.871 548 T N 1.624 116.179 114.554 0.003 0.000 2.912 548 T HA 0.527 4.876 4.350 -0.001 0.000 0.299 548 T C -0.226 174.445 174.700 -0.049 0.000 1.052 548 T CA -0.330 61.761 62.100 -0.015 0.000 0.996 548 T CB 1.609 70.473 68.868 -0.006 0.000 1.070 548 T HN 0.460 nan 8.240 nan 0.000 0.465 549 A N 2.703 125.488 122.820 -0.058 0.000 2.520 549 A HA 0.458 4.777 4.320 -0.001 0.000 0.235 549 A C 0.265 177.754 177.584 -0.158 0.000 1.065 549 A CA -0.096 51.886 52.037 -0.092 0.000 0.764 549 A CB -0.308 18.646 19.000 -0.078 0.000 1.002 549 A HN 0.831 nan 8.150 nan 0.000 0.502 550 I N 3.597 124.017 120.570 -0.251 0.000 2.379 550 I HA 0.113 4.282 4.170 -0.001 0.000 0.290 550 I C -1.477 174.345 176.117 -0.491 0.000 1.063 550 I CA -1.586 59.397 61.300 -0.529 0.000 1.351 550 I CB 1.328 38.879 38.000 -0.747 0.000 1.410 550 I HN 0.527 nan 8.210 nan 0.000 0.505 551 P HA -0.197 nan 4.420 nan 0.000 0.215 551 P C 1.019 178.306 177.300 -0.020 0.000 1.163 551 P CA 1.723 64.766 63.100 -0.095 0.000 0.894 551 P CB -0.030 31.732 31.700 0.103 0.000 0.791 552 W N -1.820 119.493 121.300 0.022 0.000 3.377 552 W HA 0.460 5.119 4.660 -0.001 0.000 0.277 552 W C 0.048 176.586 176.519 0.030 0.000 1.311 552 W CA 0.042 57.399 57.345 0.020 0.000 1.703 552 W CB -0.496 28.970 29.460 0.010 0.000 1.095 552 W HN -0.141 nan 8.180 nan 0.000 0.715 553 S N 0.382 115.946 115.700 -0.226 0.000 2.835 553 S HA 0.184 4.654 4.470 -0.001 0.000 0.140 553 S C -1.850 172.693 174.600 -0.096 0.000 1.131 553 S CA -0.657 57.483 58.200 -0.099 0.000 1.110 553 S CB -0.050 63.068 63.200 -0.138 0.000 1.683 553 S HN -0.193 nan 8.310 nan 0.000 0.473 554 P HA -0.139 nan 4.420 nan 0.000 0.219 554 P C 0.713 177.967 177.300 -0.077 0.000 1.144 554 P CA 1.267 64.323 63.100 -0.074 0.000 0.806 554 P CB 0.057 31.731 31.700 -0.043 0.000 0.771 555 E N -2.426 117.728 120.200 -0.075 0.000 2.418 555 E HA -0.073 4.276 4.350 -0.001 0.000 0.197 555 E C 0.558 176.957 176.600 -0.335 0.000 1.026 555 E CA 0.671 56.964 56.400 -0.178 0.000 0.862 555 E CB -0.656 28.926 29.700 -0.197 0.000 0.799 555 E HN 0.467 nan 8.360 nan 0.000 0.518 556 H N 0.491 119.498 119.070 -0.105 0.000 2.492 556 H HA 0.383 4.938 4.556 -0.001 0.000 0.345 556 H C -0.043 175.205 175.328 -0.133 0.000 1.136 556 H CA -0.533 55.448 56.048 -0.111 0.000 1.202 556 H CB 1.218 30.905 29.762 -0.125 0.000 1.524 556 H HN 0.043 nan 8.280 nan 0.000 0.506 557 Q N 1.290 121.092 119.800 0.003 0.000 2.252 557 Q HA 0.615 4.954 4.340 -0.001 0.000 0.256 557 Q C -0.610 175.377 176.000 -0.021 0.000 1.020 557 Q CA -1.001 54.783 55.803 -0.031 0.000 0.913 557 Q CB 3.116 31.835 28.738 -0.031 0.000 1.286 557 Q HN 0.541 nan 8.270 nan 0.000 0.480 558 I N 0.171 120.726 120.570 -0.025 0.000 2.710 558 I HA 0.095 4.265 4.170 -0.001 0.000 0.290 558 I C -1.388 174.745 176.117 0.025 0.000 1.318 558 I CA -0.624 60.673 61.300 -0.006 0.000 1.045 558 I CB 1.962 39.947 38.000 -0.025 0.000 1.307 558 I HN 0.471 nan 8.210 nan 0.000 0.424 559 Q N 5.896 125.715 119.800 0.032 0.000 2.337 559 Q HA 0.113 4.452 4.340 -0.001 0.000 0.255 559 Q C -0.405 175.734 176.000 0.230 0.000 1.205 559 Q CA -0.012 55.839 55.803 0.079 0.000 0.902 559 Q CB 0.327 29.015 28.738 -0.084 0.000 1.433 559 Q HN 0.367 nan 8.270 nan 0.000 0.471 560 R N 2.514 123.134 120.500 0.199 0.000 2.288 560 R HA 0.130 4.469 4.340 -0.001 0.000 0.330 560 R C -0.559 175.841 176.300 0.165 0.000 1.069 560 R CA -0.365 55.835 56.100 0.167 0.000 0.941 560 R CB -0.141 30.209 30.300 0.083 0.000 0.998 560 R HN 0.395 nan 8.270 nan 0.000 0.452 561 L N 4.598 125.883 121.223 0.105 0.000 2.416 561 L HA 0.227 4.567 4.340 -0.001 0.000 0.272 561 L C -0.444 176.325 176.870 -0.169 0.000 1.161 561 L CA 0.825 55.523 54.840 -0.237 0.000 0.845 561 L CB 0.551 42.465 42.059 -0.241 0.000 1.119 561 L HN 0.821 nan 8.230 nan 0.000 0.464 562 Q N 2.946 122.609 119.800 -0.230 0.000 2.648 562 Q HA 0.637 4.976 4.340 -0.001 0.000 0.300 562 Q C -1.734 174.179 176.000 -0.144 0.000 0.954 562 Q CA -1.185 54.538 55.803 -0.133 0.000 0.757 562 Q CB 1.577 30.275 28.738 -0.066 0.000 1.482 562 Q HN 0.350 nan 8.270 nan 0.000 0.437 563 V N 1.473 121.329 119.914 -0.095 0.000 2.539 563 V HA 0.573 4.692 4.120 -0.001 0.000 0.292 563 V C -0.054 176.020 176.094 -0.035 0.000 1.045 563 V CA -0.098 62.150 62.300 -0.085 0.000 0.945 563 V CB 1.468 33.242 31.823 -0.082 0.000 0.993 563 V HN 0.937 nan 8.190 nan 0.000 0.464 564 T N 2.883 117.428 114.554 -0.014 0.000 2.885 564 T HA 0.781 5.131 4.350 -0.001 0.000 0.285 564 T C -0.596 174.152 174.700 0.079 0.000 1.019 564 T CA -0.972 61.148 62.100 0.033 0.000 1.010 564 T CB 1.664 70.552 68.868 0.035 0.000 1.022 564 T HN 0.626 nan 8.240 nan 0.000 0.466 565 R N 1.303 121.881 120.500 0.131 0.000 2.621 565 R HA 0.619 4.959 4.340 -0.001 0.000 0.284 565 R C -1.164 175.315 176.300 0.299 0.000 0.998 565 R CA -1.009 55.233 56.100 0.238 0.000 0.895 565 R CB 2.490 32.934 30.300 0.241 0.000 1.195 565 R HN 0.684 nan 8.270 nan 0.000 0.450 566 K N 2.397 122.998 120.400 0.334 0.000 2.535 566 K HA 0.132 4.451 4.320 -0.001 0.000 0.250 566 K C -1.369 175.240 176.600 0.016 0.000 0.948 566 K CA -0.519 55.877 56.287 0.182 0.000 0.796 566 K CB 2.484 35.048 32.500 0.106 0.000 1.216 566 K HN 0.623 nan 8.250 nan 0.000 0.432 567 Q N 4.991 124.586 119.800 -0.342 0.000 2.307 567 Q HA 0.155 4.494 4.340 -0.001 0.000 0.259 567 Q C -0.738 175.074 176.000 -0.313 0.000 0.998 567 Q CA -0.681 54.655 55.803 -0.778 0.000 0.923 567 Q CB 0.607 28.703 28.738 -1.070 0.000 1.196 567 Q HN 0.435 nan 8.270 nan 0.000 0.416 568 L N 3.994 125.093 121.223 -0.207 0.000 2.439 568 L HA 0.018 4.357 4.340 -0.001 0.000 0.269 568 L C 1.163 177.985 176.870 -0.079 0.000 1.179 568 L CA 0.796 55.588 54.840 -0.081 0.000 0.828 568 L CB 0.812 42.864 42.059 -0.012 0.000 1.106 568 L HN 0.768 nan 8.230 nan 0.000 0.467 569 E N 0.134 120.302 120.200 -0.054 0.000 2.330 569 E HA 0.099 4.448 4.350 -0.001 0.000 0.200 569 E C 0.269 176.838 176.600 -0.051 0.000 0.922 569 E CA 0.606 56.980 56.400 -0.044 0.000 0.935 569 E CB 0.606 30.288 29.700 -0.030 0.000 0.917 569 E HN 0.775 nan 8.360 nan 0.000 0.491 570 T N -2.501 112.020 114.554 -0.054 0.000 2.916 570 T HA 0.359 4.708 4.350 -0.001 0.000 0.292 570 T C 0.852 175.506 174.700 -0.076 0.000 1.055 570 T CA -0.702 61.361 62.100 -0.061 0.000 1.009 570 T CB 2.186 71.022 68.868 -0.053 0.000 1.118 570 T HN -0.210 nan 8.240 nan 0.000 0.497 571 E N 0.428 120.581 120.200 -0.078 0.000 2.130 571 E HA -0.231 4.118 4.350 -0.001 0.000 0.196 571 E C 1.615 178.133 176.600 -0.138 0.000 0.998 571 E CA 1.508 57.851 56.400 -0.095 0.000 0.806 571 E CB -0.088 29.562 29.700 -0.084 0.000 0.738 571 E HN 0.739 nan 8.360 nan 0.000 0.459 572 E N 0.837 120.968 120.200 -0.116 0.000 2.118 572 E HA -0.185 4.165 4.350 -0.001 0.000 0.195 572 E C 1.802 178.306 176.600 -0.161 0.000 0.992 572 E CA 1.132 57.459 56.400 -0.121 0.000 0.804 572 E CB 0.045 29.700 29.700 -0.075 0.000 0.741 572 E HN 0.287 nan 8.360 nan 0.000 0.458 573 Q N -1.339 118.371 119.800 -0.151 0.000 2.435 573 Q HA 0.118 4.457 4.340 -0.001 0.000 0.207 573 Q C 1.005 176.794 176.000 -0.352 0.000 0.956 573 Q CA 0.845 56.547 55.803 -0.169 0.000 0.917 573 Q CB 0.451 29.144 28.738 -0.076 0.000 0.997 573 Q HN 0.185 nan 8.270 nan 0.000 0.497 574 A N 0.245 122.830 122.820 -0.392 0.000 2.535 574 A HA 0.505 4.824 4.320 -0.001 0.000 0.273 574 A C 0.527 177.672 177.584 -0.733 0.000 1.267 574 A CA -0.184 51.524 52.037 -0.550 0.000 0.940 574 A CB 0.473 19.403 19.000 -0.117 0.000 1.101 574 A HN 0.157 nan 8.150 nan 0.000 0.521 575 A N 0.545 122.961 122.820 -0.674 0.000 2.736 575 A HA 0.644 4.963 4.320 -0.001 0.000 0.335 575 A C -0.807 176.602 177.584 -0.291 0.000 1.446 575 A CA -0.405 51.373 52.037 -0.430 0.000 1.028 575 A CB -0.742 18.040 19.000 -0.364 0.000 1.154 575 A HN 0.256 nan 8.150 nan 0.000 0.507 576 F N 2.532 122.603 119.950 0.202 0.000 2.444 576 F HA 0.347 4.873 4.527 -0.001 0.000 0.360 576 F C -2.091 173.871 175.800 0.269 0.000 1.106 576 F CA -2.326 55.796 58.000 0.203 0.000 1.170 576 F CB 0.549 39.634 39.000 0.141 0.000 1.113 576 F HN 0.332 nan 8.300 nan 0.000 0.521 577 P HA -0.048 nan 4.420 nan 0.000 0.264 577 P C -0.245 177.144 177.300 0.149 0.000 1.193 577 P CA -0.173 63.033 63.100 0.176 0.000 0.763 577 P CB 0.530 32.294 31.700 0.106 0.000 0.810 578 L N 3.980 125.254 121.223 0.085 0.000 2.540 578 L HA 0.207 4.546 4.340 -0.001 0.000 0.276 578 L C 1.478 178.383 176.870 0.059 0.000 1.212 578 L CA 1.876 56.766 54.840 0.082 0.000 0.893 578 L CB -0.995 41.087 42.059 0.039 0.000 1.138 578 L HN 0.781 nan 8.230 nan 0.000 0.491 579 G N 2.459 111.297 108.800 0.064 0.000 2.184 579 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.264 579 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.264 579 G C 0.558 175.488 174.900 0.051 0.000 0.975 579 G CA 0.361 45.489 45.100 0.048 0.000 0.642 579 G HN 1.207 nan 8.290 nan 0.000 0.536 580 G N -0.336 108.508 108.800 0.073 0.000 2.531 580 G HA2 0.784 4.743 3.960 -0.001 0.000 0.281 580 G HA3 0.784 4.743 3.960 -0.001 0.000 0.281 580 G C 0.325 175.274 174.900 0.082 0.000 1.382 580 G CA 0.243 45.393 45.100 0.082 0.000 1.045 580 G HN 1.484 nan 8.290 nan 0.000 0.533 581 A N -0.619 122.256 122.820 0.092 0.000 2.304 581 A HA 0.729 5.048 4.320 -0.001 0.000 0.301 581 A C 0.281 177.914 177.584 0.082 0.000 1.132 581 A CA 0.201 52.280 52.037 0.069 0.000 0.819 581 A CB 0.777 19.817 19.000 0.066 0.000 1.094 581 A HN 1.781 nan 8.150 nan 0.000 0.492 582 S N 1.302 116.986 115.700 -0.027 0.000 2.556 582 S HA 0.740 5.210 4.470 -0.001 0.000 0.271 582 S C -3.239 171.223 174.600 -0.230 0.000 1.135 582 S CA -1.319 56.740 58.200 -0.235 0.000 0.858 582 S CB 0.886 63.807 63.200 -0.465 0.000 1.114 582 S HN 0.464 nan 8.310 nan 0.000 0.468 583 P HA 0.224 nan 4.420 nan 0.000 0.264 583 P C 0.483 177.721 177.300 -0.102 0.000 1.179 583 P CA -0.305 62.720 63.100 -0.125 0.000 0.763 583 P CB 0.385 32.026 31.700 -0.097 0.000 0.806 584 R N 1.274 121.774 120.500 -0.000 0.000 2.148 584 R HA -0.051 4.289 4.340 -0.001 0.000 0.227 584 R C 0.102 176.406 176.300 0.006 0.000 1.103 584 R CA 1.187 57.297 56.100 0.018 0.000 0.983 584 R CB -0.144 30.220 30.300 0.107 0.000 0.874 584 R HN 0.555 nan 8.270 nan 0.000 0.451 585 Y N 0.418 120.659 120.300 -0.098 0.000 2.447 585 Y HA 0.302 4.851 4.550 -0.001 0.000 0.325 585 Y C -0.824 175.068 175.900 -0.014 0.000 0.976 585 Y CA -0.879 57.157 58.100 -0.108 0.000 1.280 585 Y CB 1.406 39.757 38.460 -0.182 0.000 1.104 585 Y HN -0.081 nan 8.280 nan 0.000 0.486 586 L N 6.583 127.840 121.223 0.057 0.000 2.333 586 L HA 0.614 4.953 4.340 -0.001 0.000 0.280 586 L C -1.426 175.562 176.870 0.197 0.000 1.004 586 L CA -0.627 54.257 54.840 0.073 0.000 0.820 586 L CB 0.587 42.614 42.059 -0.054 0.000 1.247 586 L HN 0.499 nan 8.230 nan 0.000 0.416 587 Y N 3.045 123.432 120.300 0.146 0.000 2.615 587 Y HA 0.775 5.324 4.550 -0.001 0.000 0.341 587 Y C -1.817 174.251 175.900 0.282 0.000 1.089 587 Y CA -1.654 56.554 58.100 0.180 0.000 1.049 587 Y CB 0.943 39.508 38.460 0.174 0.000 1.296 587 Y HN 0.357 nan 8.280 nan 0.000 0.470 588 L N 2.586 124.076 121.223 0.445 0.000 2.309 588 L HA 0.885 5.224 4.340 -0.001 0.000 0.282 588 L C -0.163 177.045 176.870 0.562 0.000 1.036 588 L CA -0.473 54.595 54.840 0.380 0.000 0.806 588 L CB 1.512 43.730 42.059 0.265 0.000 1.220 588 L HN 0.967 nan 8.230 nan 0.000 0.429 589 A N 1.498 124.667 122.820 0.582 0.000 2.454 589 A HA 0.818 5.137 4.320 -0.001 0.000 0.302 589 A C -0.311 177.615 177.584 0.569 0.000 1.079 589 A CA -0.336 52.083 52.037 0.635 0.000 0.731 589 A CB 1.547 21.029 19.000 0.803 0.000 1.299 589 A HN 0.685 nan 8.150 nan 0.000 0.413 590 S N 0.909 116.883 115.700 0.456 0.000 2.686 590 S HA 0.358 4.827 4.470 -0.001 0.000 0.270 590 S C 0.877 175.684 174.600 0.345 0.000 1.194 590 S CA -0.114 58.337 58.200 0.418 0.000 0.990 590 S CB 0.639 64.003 63.200 0.272 0.000 1.029 590 S HN 0.723 nan 8.310 nan 0.000 0.560 591 K N 0.237 120.814 120.400 0.295 0.000 2.167 591 K HA -0.062 4.257 4.320 -0.001 0.000 0.203 591 K C 0.916 177.518 176.600 0.003 0.000 1.052 591 K CA 0.660 56.956 56.287 0.015 0.000 0.956 591 K CB -1.239 31.338 32.500 0.129 0.000 0.735 591 K HN 0.897 nan 8.250 nan 0.000 0.451 592 Q N 1.361 121.192 119.800 0.052 0.000 2.340 592 Q HA 0.323 4.663 4.340 -0.001 0.000 0.249 592 Q C -0.693 175.302 176.000 -0.008 0.000 0.957 592 Q CA -0.378 55.427 55.803 0.004 0.000 0.882 592 Q CB 1.176 29.909 28.738 -0.009 0.000 1.235 592 Q HN -0.064 nan 8.270 nan 0.000 0.439 593 S N 1.615 117.291 115.700 -0.041 0.000 2.722 593 S HA 0.300 4.769 4.470 -0.001 0.000 0.292 593 S C -0.124 174.424 174.600 -0.086 0.000 1.135 593 S CA -0.846 57.325 58.200 -0.049 0.000 1.003 593 S CB 0.809 63.970 63.200 -0.066 0.000 1.067 593 S HN 0.894 nan 8.310 nan 0.000 0.546 594 N N 1.099 119.751 118.700 -0.081 0.000 2.374 594 N HA 0.143 4.882 4.740 -0.001 0.000 0.284 594 N C 0.741 176.127 175.510 -0.207 0.000 1.280 594 N CA -0.520 52.450 53.050 -0.133 0.000 0.963 594 N CB 0.024 38.464 38.487 -0.078 0.000 1.141 594 N HN 0.589 nan 8.380 nan 0.000 0.565 595 K N -0.679 119.497 120.400 -0.374 0.000 2.152 595 K HA -0.086 4.233 4.320 -0.001 0.000 0.206 595 K C 0.657 176.873 176.600 -0.641 0.000 1.048 595 K CA 1.166 57.087 56.287 -0.610 0.000 0.933 595 K CB -0.184 31.761 32.500 -0.925 0.000 0.721 595 K HN 0.652 nan 8.250 nan 0.000 0.447 596 W N 0.255 121.548 121.300 -0.011 0.000 3.388 596 W HA 0.237 4.896 4.660 -0.001 0.000 0.324 596 W C 0.940 177.426 176.519 -0.055 0.000 1.250 596 W CA 0.009 57.354 57.345 0.001 0.000 1.809 596 W CB 0.375 29.870 29.460 0.059 0.000 1.083 596 W HN 0.299 nan 8.180 nan 0.000 0.685 597 G N 0.376 109.181 108.800 0.009 0.000 2.136 597 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.242 597 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.242 597 G C -0.072 174.664 174.900 -0.274 0.000 0.989 597 G CA -0.334 44.690 45.100 -0.126 0.000 0.682 597 G HN 0.436 nan 8.290 nan 0.000 0.522 598 H N 0.133 119.176 119.070 -0.044 0.000 2.472 598 H HA 0.360 4.915 4.556 -0.001 0.000 0.338 598 H C -2.405 172.861 175.328 -0.103 0.000 1.133 598 H CA -1.845 54.137 56.048 -0.109 0.000 1.216 598 H CB 1.883 31.550 29.762 -0.158 0.000 1.497 598 H HN 0.016 nan 8.280 nan 0.000 0.500 599 P HA -0.021 nan 4.420 nan 0.000 0.262 599 P C -0.020 177.344 177.300 0.106 0.000 1.182 599 P CA 0.350 63.493 63.100 0.071 0.000 0.761 599 P CB 0.552 32.314 31.700 0.104 0.000 0.795 600 R N 2.290 122.859 120.500 0.115 0.000 2.442 600 R HA 0.524 4.863 4.340 -0.001 0.000 0.291 600 R C 0.776 177.270 176.300 0.323 0.000 1.069 600 R CA 0.229 56.402 56.100 0.121 0.000 1.022 600 R CB 0.324 30.616 30.300 -0.014 0.000 0.976 600 R HN 0.626 nan 8.270 nan 0.000 0.443 601 G N 1.531 110.522 108.800 0.319 0.000 2.692 601 G HA2 0.427 4.386 3.960 -0.001 0.000 0.291 601 G HA3 0.427 4.386 3.960 -0.001 0.000 0.291 601 G C -2.070 172.976 174.900 0.245 0.000 1.423 601 G CA -0.448 44.895 45.100 0.406 0.000 0.843 601 G HN 0.396 nan 8.290 nan 0.000 0.486 602 Y N 0.958 121.387 120.300 0.215 0.000 2.326 602 Y HA 0.498 5.048 4.550 -0.001 0.000 0.329 602 Y C 0.836 176.830 175.900 0.157 0.000 0.973 602 Y CA -0.835 57.310 58.100 0.075 0.000 1.162 602 Y CB 1.610 40.052 38.460 -0.031 0.000 1.147 602 Y HN 0.694 nan 8.280 nan 0.000 0.456 603 R N 3.782 124.344 120.500 0.102 0.000 2.573 603 R HA 0.757 5.096 4.340 -0.001 0.000 0.272 603 R C -1.352 174.989 176.300 0.068 0.000 1.009 603 R CA -0.664 55.503 56.100 0.111 0.000 1.059 603 R CB 1.372 31.638 30.300 -0.056 0.000 1.112 603 R HN 0.611 nan 8.270 nan 0.000 0.517 604 I N 1.556 122.151 120.570 0.042 0.000 2.354 604 I HA 0.202 4.371 4.170 -0.001 0.000 0.292 604 I C -0.321 175.783 176.117 -0.020 0.000 0.989 604 I CA -0.594 60.716 61.300 0.016 0.000 1.188 604 I CB 1.768 39.742 38.000 -0.043 0.000 1.342 604 I HN 0.614 nan 8.210 nan 0.000 0.457 605 Q N 6.241 126.063 119.800 0.038 0.000 2.363 605 Q HA 0.328 4.667 4.340 -0.001 0.000 0.265 605 Q C -0.616 175.445 176.000 0.102 0.000 1.032 605 Q CA -0.687 55.117 55.803 0.001 0.000 0.746 605 Q CB 1.452 30.158 28.738 -0.054 0.000 1.237 605 Q HN 0.793 nan 8.270 nan 0.000 0.475 606 T N -0.473 114.111 114.554 0.050 0.000 2.910 606 T HA 0.461 4.810 4.350 -0.001 0.000 0.293 606 T C -0.049 174.671 174.700 0.033 0.000 1.015 606 T CA -0.548 61.605 62.100 0.088 0.000 1.094 606 T CB 1.299 70.203 68.868 0.060 0.000 0.968 606 T HN 0.283 nan 8.240 nan 0.000 0.521 607 V N 3.634 123.571 119.914 0.038 0.000 2.398 607 V HA 0.635 4.754 4.120 -0.001 0.000 0.282 607 V C -0.081 175.937 176.094 -0.126 0.000 1.014 607 V CA -0.474 61.789 62.300 -0.061 0.000 0.838 607 V CB 0.608 32.462 31.823 0.051 0.000 1.018 607 V HN 1.333 nan 8.190 nan 0.000 0.432 608 S N 3.396 118.883 115.700 -0.354 0.000 2.625 608 S HA 0.813 5.282 4.470 -0.001 0.000 0.271 608 S C -1.092 173.083 174.600 -0.708 0.000 1.161 608 S CA -0.616 57.412 58.200 -0.287 0.000 0.820 608 S CB 1.984 65.211 63.200 0.046 0.000 1.137 608 S HN 0.235 nan 8.310 nan 0.000 0.470 609 F N 0.739 120.779 119.950 0.150 0.000 2.619 609 F HA 0.660 5.186 4.527 -0.001 0.000 0.382 609 F C 0.919 176.817 175.800 0.164 0.000 1.466 609 F CA -0.558 57.521 58.000 0.132 0.000 1.137 609 F CB 0.249 39.318 39.000 0.115 0.000 1.205 609 F HN 0.918 nan 8.300 nan 0.000 0.525 610 A N 0.377 123.328 122.820 0.219 0.000 2.536 610 A HA 0.403 4.722 4.320 -0.001 0.000 0.234 610 A C 1.659 179.318 177.584 0.126 0.000 1.076 610 A CA 0.653 52.794 52.037 0.173 0.000 0.769 610 A CB -0.002 19.074 19.000 0.128 0.000 1.020 610 A HN 0.683 nan 8.150 nan 0.000 0.508 611 G N -0.373 108.471 108.800 0.073 0.000 3.042 611 G HA2 0.517 4.476 3.960 -0.001 0.000 0.212 611 G HA3 0.517 4.476 3.960 -0.001 0.000 0.212 611 G C 0.774 175.684 174.900 0.016 0.000 1.166 611 G CA 0.722 45.845 45.100 0.040 0.000 0.767 611 G HN 2.239 nan 8.290 nan 0.000 0.546 612 G N 0.810 109.616 108.800 0.009 0.000 3.363 612 G HA2 0.140 4.100 3.960 -0.001 0.000 0.685 612 G HA3 0.140 4.100 3.960 -0.001 0.000 0.685 612 G C -2.318 172.566 174.900 -0.028 0.000 1.199 612 G CA -0.565 44.532 45.100 -0.006 0.000 0.946 612 G HN 0.278 nan 8.290 nan 0.000 0.558 613 P HA 0.398 nan 4.420 nan 0.000 0.267 613 P C 0.416 177.682 177.300 -0.056 0.000 1.200 613 P CA -0.382 62.674 63.100 -0.073 0.000 0.772 613 P CB 0.813 32.448 31.700 -0.110 0.000 0.855 614 M N 4.349 123.926 119.600 -0.037 0.000 2.248 614 M HA 0.227 4.707 4.480 -0.001 0.000 0.345 614 M C -2.326 173.944 176.300 -0.050 0.000 1.243 614 M CA -1.407 53.893 55.300 0.001 0.000 1.090 614 M CB -0.599 32.083 32.600 0.137 0.000 1.683 614 M HN 0.164 nan 8.290 nan 0.000 0.450 615 P HA 0.050 nan 4.420 nan 0.000 0.268 615 P C -0.555 176.696 177.300 -0.082 0.000 1.205 615 P CA 0.114 63.181 63.100 -0.054 0.000 0.771 615 P CB 0.384 32.065 31.700 -0.031 0.000 0.858 616 Q N 1.241 120.982 119.800 -0.097 0.000 2.500 616 Q HA -0.117 4.222 4.340 -0.001 0.000 0.213 616 Q C 1.025 176.972 176.000 -0.088 0.000 0.974 616 Q CA 0.627 56.358 55.803 -0.119 0.000 0.918 616 Q CB -0.234 28.434 28.738 -0.115 0.000 0.980 616 Q HN 0.418 nan 8.270 nan 0.000 0.505 617 N N 0.190 118.854 118.700 -0.059 0.000 2.396 617 N HA -0.066 4.673 4.740 -0.001 0.000 0.180 617 N C 0.426 175.920 175.510 -0.026 0.000 1.028 617 N CA 0.318 53.346 53.050 -0.036 0.000 0.893 617 N CB 0.055 38.528 38.487 -0.023 0.000 0.967 617 N HN 0.029 nan 8.380 nan 0.000 0.440 618 S N 2.258 117.936 115.700 -0.036 0.000 2.525 618 S HA 0.077 4.546 4.470 -0.001 0.000 0.285 618 S C -1.292 173.301 174.600 -0.011 0.000 1.283 618 S CA -1.173 57.021 58.200 -0.010 0.000 1.072 618 S CB 0.886 64.079 63.200 -0.011 0.000 0.867 618 S HN 0.119 nan 8.310 nan 0.000 0.492 619 P HA -0.108 nan 4.420 nan 0.000 0.231 619 P C 0.876 178.232 177.300 0.092 0.000 1.158 619 P CA 1.015 64.183 63.100 0.113 0.000 0.763 619 P CB -0.138 31.689 31.700 0.211 0.000 0.805 620 M N -2.218 117.366 119.600 -0.025 0.000 2.306 620 M HA 0.246 4.725 4.480 -0.001 0.000 0.292 620 M C 1.472 177.503 176.300 -0.448 0.000 1.018 620 M CA 0.247 55.419 55.300 -0.214 0.000 1.007 620 M CB -0.052 32.373 32.600 -0.292 0.000 1.510 620 M HN -0.294 nan 8.290 nan 0.000 0.537 621 E N 2.010 121.895 120.200 -0.524 0.000 2.265 621 E HA -0.137 4.212 4.350 -0.001 0.000 0.196 621 E C 1.669 177.645 176.600 -1.040 0.000 0.996 621 E CA 1.477 57.217 56.400 -1.100 0.000 0.832 621 E CB -0.490 28.857 29.700 -0.589 0.000 0.756 621 E HN 0.590 nan 8.360 nan 0.000 0.491 622 R N 0.279 120.447 120.500 -0.554 0.000 2.127 622 R HA -0.011 4.329 4.340 -0.001 0.000 0.238 622 R C 2.337 178.428 176.300 -0.347 0.000 1.134 622 R CA 1.250 57.127 56.100 -0.371 0.000 0.975 622 R CB -0.481 29.696 30.300 -0.205 0.000 0.865 622 R HN 0.368 nan 8.270 nan 0.000 0.447 623 A N 1.148 123.741 122.820 -0.378 0.000 2.070 623 A HA -0.132 4.187 4.320 -0.001 0.000 0.220 623 A C 1.061 178.646 177.584 0.003 0.000 1.159 623 A CA 1.005 52.959 52.037 -0.138 0.000 0.656 623 A CB -0.314 18.657 19.000 -0.048 0.000 0.800 623 A HN 0.441 nan 8.150 nan 0.000 0.453 624 F N -1.625 118.213 119.950 -0.188 0.000 2.841 624 F HA 0.343 4.870 4.527 -0.001 0.000 0.358 624 F C 1.168 176.516 175.800 -0.754 0.000 1.261 624 F CA -0.263 57.462 58.000 -0.457 0.000 1.233 624 F CB -0.802 37.881 39.000 -0.528 0.000 1.008 624 F HN 0.053 nan 8.300 nan 0.000 0.507 625 S N 0.060 115.497 115.700 -0.439 0.000 2.537 625 S HA -0.171 4.298 4.470 -0.001 0.000 0.240 625 S C 1.480 176.006 174.600 -0.124 0.000 0.981 625 S CA 0.636 58.648 58.200 -0.313 0.000 0.948 625 S CB -0.999 62.105 63.200 -0.158 0.000 0.759 625 S HN 0.752 nan 8.310 nan 0.000 0.531 626 W N 1.287 122.528 121.300 -0.099 0.000 2.465 626 W HA 0.255 4.914 4.660 -0.001 0.000 0.268 626 W C 1.715 178.131 176.519 -0.171 0.000 1.242 626 W CA 0.262 57.401 57.345 -0.344 0.000 1.248 626 W CB -1.446 27.151 29.460 -1.438 0.000 1.118 626 W HN 0.405 nan 8.180 nan 0.000 0.587 627 G N 1.533 109.884 108.800 -0.748 0.000 2.559 627 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.216 627 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.216 627 G C 1.772 176.499 174.900 -0.288 0.000 1.126 627 G CA 0.191 44.965 45.100 -0.543 0.000 0.778 627 G HN 0.271 nan 8.290 nan 0.000 0.543 628 R N -1.088 119.171 120.500 -0.401 0.000 2.189 628 R HA 0.068 4.407 4.340 -0.001 0.000 0.218 628 R C -0.167 175.782 176.300 -0.586 0.000 1.074 628 R CA 0.422 56.165 56.100 -0.595 0.000 0.991 628 R CB -0.038 29.671 30.300 -0.986 0.000 0.883 628 R HN 0.479 nan 8.270 nan 0.000 0.457 629 Y N -0.839 119.527 120.300 0.110 0.000 2.468 629 Y HA 0.196 4.745 4.550 -0.001 0.000 0.342 629 Y C 1.137 177.169 175.900 0.221 0.000 1.021 629 Y CA -1.094 57.114 58.100 0.181 0.000 1.079 629 Y CB 1.287 39.893 38.460 0.243 0.000 1.226 629 Y HN -0.308 nan 8.280 nan 0.000 0.460 630 Q N 1.175 121.201 119.800 0.377 0.000 2.212 630 Q HA 0.188 4.527 4.340 -0.001 0.000 0.199 630 Q C -0.969 175.223 176.000 0.319 0.000 0.950 630 Q CA 0.979 56.957 55.803 0.292 0.000 0.863 630 Q CB 0.398 29.266 28.738 0.217 0.000 0.944 630 Q HN 0.651 nan 8.270 nan 0.000 0.465 631 L N -0.710 120.756 121.223 0.405 0.000 2.545 631 L HA 0.778 5.117 4.340 -0.001 0.000 0.258 631 L C -2.212 174.906 176.870 0.414 0.000 0.942 631 L CA -0.214 54.852 54.840 0.376 0.000 0.855 631 L CB 1.950 44.197 42.059 0.315 0.000 1.374 631 L HN -0.044 nan 8.230 nan 0.000 0.411 632 A N 4.679 127.713 122.820 0.356 0.000 2.488 632 A HA 0.853 5.172 4.320 -0.001 0.000 0.298 632 A C -1.772 176.023 177.584 0.351 0.000 1.044 632 A CA -0.465 51.715 52.037 0.238 0.000 0.693 632 A CB 1.368 20.432 19.000 0.107 0.000 1.272 632 A HN 0.479 nan 8.150 nan 0.000 0.402 633 I N 2.540 123.236 120.570 0.210 0.000 2.378 633 I HA 0.640 4.810 4.170 -0.001 0.000 0.291 633 I C 0.536 176.757 176.117 0.174 0.000 0.992 633 I CA -0.110 61.318 61.300 0.214 0.000 1.154 633 I CB 0.917 38.994 38.000 0.129 0.000 1.315 633 I HN 0.861 nan 8.210 nan 0.000 0.448 634 T N 2.249 116.960 114.554 0.261 0.000 2.838 634 T HA 0.511 4.860 4.350 -0.001 0.000 0.292 634 T C -0.404 174.375 174.700 0.131 0.000 1.113 634 T CA -0.903 61.305 62.100 0.180 0.000 1.008 634 T CB 1.834 70.859 68.868 0.261 0.000 1.259 634 T HN 0.481 nan 8.240 nan 0.000 0.520 635 Q N 0.693 120.528 119.800 0.058 0.000 2.304 635 Q HA 0.353 4.692 4.340 -0.001 0.000 0.260 635 Q C -0.037 175.989 176.000 0.044 0.000 0.965 635 Q CA -0.615 55.196 55.803 0.014 0.000 0.898 635 Q CB 0.943 29.663 28.738 -0.030 0.000 1.196 635 Q HN 0.521 nan 8.270 nan 0.000 0.402 636 R N 2.764 123.280 120.500 0.027 0.000 2.458 636 R HA 0.036 4.376 4.340 -0.001 0.000 0.303 636 R C -1.048 175.255 176.300 0.004 0.000 1.013 636 R CA 0.822 56.942 56.100 0.034 0.000 1.026 636 R CB 0.312 30.613 30.300 0.001 0.000 0.948 636 R HN 0.358 nan 8.270 nan 0.000 0.417 637 K N 3.273 123.674 120.400 0.001 0.000 2.378 637 K HA 0.100 4.419 4.320 -0.001 0.000 0.252 637 K C -0.071 176.521 176.600 -0.013 0.000 0.931 637 K CA -0.811 55.453 56.287 -0.038 0.000 0.794 637 K CB 1.913 34.351 32.500 -0.104 0.000 1.181 637 K HN 0.525 nan 8.250 nan 0.000 0.425 638 E N 0.556 120.754 120.200 -0.003 0.000 2.160 638 E HA -0.130 4.219 4.350 -0.001 0.000 0.195 638 E C 1.192 177.804 176.600 0.020 0.000 0.991 638 E CA 1.690 58.106 56.400 0.026 0.000 0.810 638 E CB 0.153 29.864 29.700 0.018 0.000 0.742 638 E HN 0.550 nan 8.360 nan 0.000 0.466 639 T N -0.127 114.413 114.554 -0.023 0.000 3.118 639 T HA -0.000 4.349 4.350 -0.001 0.000 0.260 639 T C -0.189 174.466 174.700 -0.076 0.000 1.139 639 T CA 0.491 62.569 62.100 -0.037 0.000 1.085 639 T CB -0.068 68.770 68.868 -0.050 0.000 0.934 639 T HN 0.128 nan 8.240 nan 0.000 0.518 640 E N 1.084 121.206 120.200 -0.130 0.000 3.786 640 E HA 0.145 4.495 4.350 -0.001 0.000 0.215 640 E C -1.773 174.875 176.600 0.081 0.000 1.188 640 E CA -1.350 54.877 56.400 -0.289 0.000 1.248 640 E CB 1.221 30.347 29.700 -0.957 0.000 1.260 640 E HN 0.265 nan 8.360 nan 0.000 0.426 641 P HA -0.094 nan 4.420 nan 0.000 0.217 641 P C 0.084 177.638 177.300 0.424 0.000 1.151 641 P CA 0.832 64.104 63.100 0.287 0.000 0.828 641 P CB 0.440 32.281 31.700 0.235 0.000 0.788 642 S N -0.894 115.089 115.700 0.471 0.000 2.570 642 S HA 0.341 4.811 4.470 -0.001 0.000 0.286 642 S C 0.645 175.563 174.600 0.531 0.000 1.099 642 S CA -0.415 58.082 58.200 0.495 0.000 0.913 642 S CB 1.725 65.120 63.200 0.324 0.000 1.085 642 S HN 0.087 nan 8.310 nan 0.000 0.480 643 S N -0.172 115.750 115.700 0.370 0.000 2.575 643 S HA 0.320 4.790 4.470 -0.001 0.000 0.215 643 S C 0.627 175.266 174.600 0.065 0.000 0.966 643 S CA 0.020 58.284 58.200 0.107 0.000 0.911 643 S CB -0.029 63.078 63.200 -0.154 0.000 0.780 643 S HN 0.600 nan 8.310 nan 0.000 0.514 644 S N -0.240 115.531 115.700 0.118 0.000 2.819 644 S HA 0.775 5.244 4.470 -0.001 0.000 0.299 644 S C -1.499 173.181 174.600 0.133 0.000 1.192 644 S CA -0.362 57.909 58.200 0.119 0.000 0.847 644 S CB 1.649 64.891 63.200 0.071 0.000 1.224 644 S HN 0.334 nan 8.310 nan 0.000 0.537 645 S N -0.120 115.635 115.700 0.092 0.000 2.537 645 S HA 0.453 4.922 4.470 -0.001 0.000 0.270 645 S C 0.557 175.092 174.600 -0.108 0.000 1.142 645 S CA -0.365 57.857 58.200 0.037 0.000 0.870 645 S CB 1.183 64.449 63.200 0.109 0.000 1.112 645 S HN 0.641 nan 8.310 nan 0.000 0.466 646 V N 3.524 123.226 119.914 -0.353 0.000 2.594 646 V HA -0.054 4.065 4.120 -0.001 0.000 0.253 646 V C 1.523 177.280 176.094 -0.561 0.000 1.069 646 V CA 1.783 63.746 62.300 -0.562 0.000 1.082 646 V CB -1.008 30.142 31.823 -1.122 0.000 0.680 646 V HN 0.831 nan 8.190 nan 0.000 0.469 647 F N 0.492 120.366 119.950 -0.128 0.000 2.811 647 F HA 0.142 4.669 4.527 -0.001 0.000 0.301 647 F C 2.018 177.754 175.800 -0.106 0.000 1.151 647 F CA 0.008 57.920 58.000 -0.147 0.000 1.412 647 F CB -0.923 37.966 39.000 -0.184 0.000 1.113 647 F HN 0.161 nan 8.300 nan 0.000 0.579 648 N N 0.315 119.036 118.700 0.034 0.000 2.216 648 N HA -0.162 4.578 4.740 -0.001 0.000 0.183 648 N C 1.965 177.462 175.510 -0.021 0.000 1.017 648 N CA 0.816 53.883 53.050 0.027 0.000 0.861 648 N CB -0.421 38.105 38.487 0.064 0.000 0.986 648 N HN 0.243 nan 8.380 nan 0.000 0.428 649 Q N 1.222 120.995 119.800 -0.044 0.000 2.045 649 Q HA -0.033 4.306 4.340 -0.001 0.000 0.206 649 Q C 0.732 176.688 176.000 -0.074 0.000 0.991 649 Q CA 1.598 57.364 55.803 -0.062 0.000 0.851 649 Q CB -0.278 28.373 28.738 -0.145 0.000 0.911 649 Q HN 0.228 nan 8.270 nan 0.000 0.418 650 N N 0.409 119.079 118.700 -0.050 0.000 2.449 650 N HA 0.020 4.759 4.740 -0.001 0.000 0.191 650 N C -0.808 174.746 175.510 0.073 0.000 1.161 650 N CA 0.629 53.684 53.050 0.009 0.000 0.863 650 N CB 0.450 38.943 38.487 0.009 0.000 0.980 650 N HN 0.233 nan 8.380 nan 0.000 0.458 651 D N -0.962 119.430 120.400 -0.014 0.000 3.250 651 D HA 0.100 4.740 4.640 -0.001 0.000 0.252 651 D C -2.201 174.018 176.300 -0.135 0.000 1.342 651 D CA -0.953 53.082 54.000 0.058 0.000 0.807 651 D CB 0.933 41.885 40.800 0.253 0.000 1.449 651 D HN -0.027 nan 8.370 nan 0.000 0.610 652 P HA 0.003 nan 4.420 nan 0.000 0.231 652 P C 1.401 178.468 177.300 -0.389 0.000 1.168 652 P CA 0.253 63.087 63.100 -0.443 0.000 0.779 652 P CB 0.022 31.412 31.700 -0.517 0.000 0.844 653 W N 0.988 122.302 121.300 0.023 0.000 2.465 653 W HA 0.038 4.697 4.660 -0.001 0.000 0.268 653 W C 0.072 176.589 176.519 -0.003 0.000 1.242 653 W CA 0.824 58.168 57.345 -0.003 0.000 1.248 653 W CB -1.135 28.320 29.460 -0.009 0.000 1.118 653 W HN 0.003 nan 8.180 nan 0.000 0.587 654 T N 1.633 116.304 114.554 0.193 0.000 3.296 654 T HA 0.157 4.506 4.350 -0.001 0.000 0.333 654 T C -2.486 172.261 174.700 0.078 0.000 1.280 654 T CA -0.847 61.330 62.100 0.128 0.000 1.558 654 T CB 1.979 70.944 68.868 0.161 0.000 0.929 654 T HN -0.293 nan 8.240 nan 0.000 0.596 655 P HA 0.134 nan 4.420 nan 0.000 0.268 655 P C 0.559 177.886 177.300 0.045 0.000 1.205 655 P CA 0.018 63.130 63.100 0.020 0.000 0.771 655 P CB 1.055 32.747 31.700 -0.014 0.000 0.858 656 T N 0.580 115.168 114.554 0.056 0.000 3.014 656 T HA 0.088 4.437 4.350 -0.001 0.000 0.263 656 T C 0.750 175.536 174.700 0.143 0.000 1.078 656 T CA 0.772 62.908 62.100 0.059 0.000 1.135 656 T CB 0.072 68.951 68.868 0.018 0.000 0.895 656 T HN 0.250 nan 8.240 nan 0.000 0.480 657 V N 1.879 121.868 119.914 0.125 0.000 2.668 657 V HA 0.432 4.551 4.120 -0.001 0.000 0.304 657 V C -1.565 174.553 176.094 0.039 0.000 1.071 657 V CA -1.185 61.195 62.300 0.133 0.000 0.894 657 V CB 2.187 34.122 31.823 0.188 0.000 1.008 657 V HN 0.119 nan 8.190 nan 0.000 0.425 658 D N 3.287 123.662 120.400 -0.042 0.000 2.420 658 D HA 0.233 4.873 4.640 -0.001 0.000 0.255 658 D C 0.586 176.704 176.300 -0.304 0.000 1.185 658 D CA -0.600 53.336 54.000 -0.107 0.000 0.904 658 D CB 1.125 41.876 40.800 -0.082 0.000 1.102 658 D HN 0.324 nan 8.370 nan 0.000 0.534 659 F N 3.515 123.180 119.950 -0.474 0.000 2.115 659 F HA -0.287 4.239 4.527 -0.001 0.000 0.300 659 F C 2.217 177.636 175.800 -0.635 0.000 1.092 659 F CA 2.391 59.886 58.000 -0.842 0.000 1.245 659 F CB -0.278 38.450 39.000 -0.453 0.000 0.995 659 F HN 0.402 nan 8.300 nan 0.000 0.481 660 S N -0.651 114.828 115.700 -0.369 0.000 2.440 660 S HA -0.224 4.245 4.470 -0.001 0.000 0.238 660 S C 1.671 176.079 174.600 -0.319 0.000 1.010 660 S CA 1.337 59.361 58.200 -0.294 0.000 0.972 660 S CB -0.778 62.409 63.200 -0.021 0.000 0.774 660 S HN 0.460 nan 8.310 nan 0.000 0.501 661 D N 1.236 121.462 120.400 -0.290 0.000 2.221 661 D HA -0.033 4.607 4.640 -0.001 0.000 0.204 661 D C 1.262 177.571 176.300 0.016 0.000 0.982 661 D CA 0.765 54.706 54.000 -0.097 0.000 0.857 661 D CB -0.385 40.416 40.800 0.003 0.000 0.934 661 D HN 0.426 nan 8.370 nan 0.000 0.475 662 F N 0.444 120.160 119.950 -0.389 0.000 2.451 662 F HA 0.089 4.615 4.527 -0.001 0.000 0.299 662 F C 1.256 176.844 175.800 -0.352 0.000 1.101 662 F CA -0.156 57.611 58.000 -0.388 0.000 1.436 662 F CB -0.791 37.851 39.000 -0.596 0.000 1.074 662 F HN -0.085 nan 8.300 nan 0.000 0.553 663 I N 2.838 123.274 120.570 -0.224 0.000 2.282 663 I HA 0.092 4.261 4.170 -0.001 0.000 0.290 663 I C 0.278 176.326 176.117 -0.116 0.000 1.090 663 I CA -0.124 61.054 61.300 -0.205 0.000 1.231 663 I CB -0.046 37.768 38.000 -0.311 0.000 1.434 663 I HN 0.044 nan 8.210 nan 0.000 0.487 664 N N 6.168 124.821 118.700 -0.078 0.000 2.610 664 N HA 0.038 4.777 4.740 -0.001 0.000 0.307 664 N C 0.191 175.671 175.510 -0.049 0.000 1.813 664 N CA -0.382 52.635 53.050 -0.054 0.000 0.901 664 N CB 0.167 38.632 38.487 -0.036 0.000 1.354 664 N HN 0.429 nan 8.380 nan 0.000 0.491 665 N N 0.800 119.466 118.700 -0.058 0.000 2.693 665 N HA -0.193 4.546 4.740 -0.001 0.000 0.249 665 N C -0.780 174.701 175.510 -0.048 0.000 1.119 665 N CA 0.885 53.904 53.050 -0.052 0.000 0.717 665 N CB -0.726 37.737 38.487 -0.041 0.000 1.071 665 N HN 0.682 nan 8.380 nan 0.000 0.555 666 E N -0.449 119.721 120.200 -0.051 0.000 2.369 666 E HA 0.147 4.496 4.350 -0.001 0.000 0.255 666 E C 0.579 177.145 176.600 -0.057 0.000 1.172 666 E CA -0.184 56.186 56.400 -0.050 0.000 0.932 666 E CB 0.515 30.185 29.700 -0.050 0.000 1.040 666 E HN 0.180 nan 8.360 nan 0.000 0.454 667 T N 0.515 115.032 114.554 -0.061 0.000 2.918 667 T HA 0.233 4.582 4.350 -0.001 0.000 0.302 667 T C 0.586 175.227 174.700 -0.100 0.000 1.045 667 T CA -0.276 61.779 62.100 -0.074 0.000 1.114 667 T CB 0.130 68.953 68.868 -0.076 0.000 0.965 667 T HN 0.491 nan 8.240 nan 0.000 0.540 668 I N 1.395 121.896 120.570 -0.116 0.000 3.658 668 I HA 0.603 4.773 4.170 -0.001 0.000 0.328 668 I C 0.282 176.247 176.117 -0.253 0.000 1.567 668 I CA -0.976 60.236 61.300 -0.147 0.000 1.078 668 I CB 0.175 38.123 38.000 -0.086 0.000 1.267 668 I HN 0.508 nan 8.210 nan 0.000 0.495 669 A N 1.541 124.179 122.820 -0.304 0.000 2.341 669 A HA 0.676 4.995 4.320 -0.001 0.000 0.326 669 A C 1.129 178.119 177.584 -0.991 0.000 1.402 669 A CA 0.165 51.883 52.037 -0.533 0.000 0.957 669 A CB -0.266 18.704 19.000 -0.050 0.000 1.151 669 A HN 1.132 nan 8.150 nan 0.000 0.533 670 G N 1.819 109.375 108.800 -2.074 0.000 2.248 670 G HA2 -0.167 3.793 3.960 -0.001 0.000 0.263 670 G HA3 -0.167 3.793 3.960 -0.001 0.000 0.263 670 G C -0.050 174.396 174.900 -0.757 0.000 1.082 670 G CA 0.342 44.314 45.100 -1.880 0.000 0.863 670 G HN 0.641 nan 8.290 nan 0.000 0.495 671 K N -0.404 119.670 120.400 -0.544 0.000 2.378 671 K HA 0.505 4.824 4.320 -0.001 0.000 0.244 671 K C -0.601 175.887 176.600 -0.186 0.000 1.039 671 K CA -1.118 55.002 56.287 -0.279 0.000 0.863 671 K CB 0.970 33.346 32.500 -0.208 0.000 1.326 671 K HN 0.103 nan 8.250 nan 0.000 0.460 672 D N 1.683 122.015 120.400 -0.113 0.000 2.338 672 D HA 0.167 4.806 4.640 -0.001 0.000 0.255 672 D C -0.779 175.490 176.300 -0.052 0.000 1.237 672 D CA -0.163 53.797 54.000 -0.067 0.000 0.883 672 D CB 0.182 40.948 40.800 -0.056 0.000 1.087 672 D HN 0.067 nan 8.370 nan 0.000 0.485 673 L N 3.803 125.005 121.223 -0.035 0.000 2.344 673 L HA 0.519 4.859 4.340 -0.001 0.000 0.272 673 L C -0.263 176.596 176.870 -0.018 0.000 1.035 673 L CA -0.997 53.835 54.840 -0.013 0.000 0.807 673 L CB 1.982 44.040 42.059 -0.001 0.000 1.237 673 L HN 0.213 nan 8.230 nan 0.000 0.442 674 V N 1.458 121.364 119.914 -0.012 0.000 2.638 674 V HA 0.804 4.923 4.120 -0.001 0.000 0.306 674 V C -0.312 175.681 176.094 -0.167 0.000 1.052 674 V CA -0.945 61.260 62.300 -0.159 0.000 0.885 674 V CB 1.679 33.346 31.823 -0.260 0.000 0.999 674 V HN 0.856 nan 8.190 nan 0.000 0.424 675 A N 4.079 126.737 122.820 -0.271 0.000 2.305 675 A HA 0.844 5.163 4.320 -0.001 0.000 0.322 675 A C -1.515 175.880 177.584 -0.314 0.000 1.187 675 A CA -0.388 51.565 52.037 -0.140 0.000 0.825 675 A CB 0.597 19.530 19.000 -0.112 0.000 1.164 675 A HN 0.811 nan 8.150 nan 0.000 0.498 676 W N 2.085 123.370 121.300 -0.025 0.000 2.538 676 W HA 0.555 5.214 4.660 -0.001 0.000 0.322 676 W C -0.715 175.706 176.519 -0.162 0.000 1.028 676 W CA -0.594 56.650 57.345 -0.168 0.000 1.228 676 W CB 1.743 31.163 29.460 -0.066 0.000 1.356 676 W HN 0.429 nan 8.180 nan 0.000 0.452 677 V N 2.763 122.616 119.914 -0.101 0.000 2.581 677 V HA 0.614 4.733 4.120 -0.001 0.000 0.303 677 V C -0.068 176.160 176.094 0.224 0.000 1.041 677 V CA -0.743 61.563 62.300 0.012 0.000 0.907 677 V CB 1.959 33.622 31.823 -0.266 0.000 0.994 677 V HN 0.478 nan 8.190 nan 0.000 0.442 678 T N 3.642 118.435 114.554 0.398 0.000 2.797 678 T HA 0.774 5.124 4.350 -0.001 0.000 0.279 678 T C -0.254 174.689 174.700 0.405 0.000 0.991 678 T CA -0.233 62.192 62.100 0.542 0.000 0.979 678 T CB 1.469 70.676 68.868 0.565 0.000 0.943 678 T HN 1.014 nan 8.240 nan 0.000 0.444 679 A N 2.108 125.184 122.820 0.427 0.000 2.475 679 A HA 1.019 5.338 4.320 -0.001 0.000 0.301 679 A C -0.064 177.734 177.584 0.357 0.000 1.059 679 A CA -0.452 51.791 52.037 0.344 0.000 0.710 679 A CB 1.889 21.086 19.000 0.327 0.000 1.288 679 A HN 1.148 nan 8.150 nan 0.000 0.408 680 G N -0.499 108.502 108.800 0.335 0.000 2.490 680 G HA2 0.794 4.753 3.960 -0.001 0.000 0.308 680 G HA3 0.794 4.753 3.960 -0.001 0.000 0.308 680 G C -1.203 173.981 174.900 0.474 0.000 1.286 680 G CA 0.183 45.495 45.100 0.354 0.000 0.825 680 G HN 1.997 nan 8.290 nan 0.000 0.479 681 F N -2.006 118.077 119.950 0.222 0.000 2.773 681 F HA 0.773 5.299 4.527 -0.001 0.000 0.314 681 F C -1.560 174.317 175.800 0.130 0.000 1.160 681 F CA -1.483 56.637 58.000 0.200 0.000 0.920 681 F CB 1.525 40.640 39.000 0.192 0.000 1.323 681 F HN 0.585 nan 8.300 nan 0.000 0.457 682 L N 2.048 123.392 121.223 0.201 0.000 2.334 682 L HA 0.458 4.797 4.340 -0.001 0.000 0.277 682 L C -1.196 175.762 176.870 0.148 0.000 1.075 682 L CA -0.492 54.373 54.840 0.042 0.000 0.804 682 L CB 1.323 43.421 42.059 0.066 0.000 1.174 682 L HN 0.978 nan 8.230 nan 0.000 0.438 683 H N 5.284 124.228 119.070 -0.209 0.000 2.800 683 H HA 0.417 4.972 4.556 -0.001 0.000 0.322 683 H C -1.001 174.197 175.328 -0.218 0.000 0.979 683 H CA -0.813 55.135 56.048 -0.165 0.000 1.277 683 H CB 1.264 30.797 29.762 -0.382 0.000 1.484 683 H HN 0.520 nan 8.280 nan 0.000 0.512 684 I N 8.001 128.716 120.570 0.242 0.000 2.330 684 I HA 0.228 4.397 4.170 -0.001 0.000 0.286 684 I C -2.252 174.020 176.117 0.258 0.000 1.025 684 I CA -2.140 59.235 61.300 0.125 0.000 1.197 684 I CB 1.308 39.370 38.000 0.102 0.000 1.358 684 I HN 0.462 nan 8.210 nan 0.000 0.467 685 P HA 0.050 nan 4.420 nan 0.000 0.267 685 P C -1.185 176.219 177.300 0.173 0.000 1.200 685 P CA 0.380 63.502 63.100 0.038 0.000 0.772 685 P CB 0.284 31.941 31.700 -0.072 0.000 0.855 686 H N -0.954 118.181 119.070 0.109 0.000 2.949 686 H HA 0.701 5.256 4.556 -0.001 0.000 0.356 686 H C 0.923 176.286 175.328 0.059 0.000 1.212 686 H CA -1.071 55.017 56.048 0.068 0.000 1.136 686 H CB 0.490 30.289 29.762 0.063 0.000 1.869 686 H HN 0.231 nan 8.280 nan 0.000 0.556 687 A N 0.659 123.549 122.820 0.117 0.000 1.958 687 A HA -0.277 4.043 4.320 -0.001 0.000 0.221 687 A C 1.651 179.249 177.584 0.023 0.000 1.178 687 A CA 2.231 54.298 52.037 0.049 0.000 0.642 687 A CB -0.936 18.099 19.000 0.060 0.000 0.816 687 A HN 0.834 nan 8.150 nan 0.000 0.453 688 E N 0.450 120.699 120.200 0.082 0.000 2.333 688 E HA -0.116 4.233 4.350 -0.001 0.000 0.198 688 E C 0.955 177.517 176.600 -0.064 0.000 1.007 688 E CA 1.025 57.458 56.400 0.054 0.000 0.845 688 E CB -0.188 29.631 29.700 0.198 0.000 0.766 688 E HN 0.560 nan 8.360 nan 0.000 0.507 689 D N -0.288 119.991 120.400 -0.202 0.000 2.363 689 D HA 0.019 4.658 4.640 -0.001 0.000 0.226 689 D C 0.131 176.415 176.300 -0.026 0.000 1.020 689 D CA 0.455 54.381 54.000 -0.123 0.000 0.892 689 D CB 0.284 41.004 40.800 -0.132 0.000 0.900 689 D HN 0.226 nan 8.370 nan 0.000 0.531 690 I N 1.974 122.528 120.570 -0.028 0.000 2.404 690 I HA 0.127 4.296 4.170 -0.001 0.000 0.293 690 I C -1.241 174.869 176.117 -0.011 0.000 0.992 690 I CA -1.643 59.644 61.300 -0.022 0.000 1.149 690 I CB 2.442 40.422 38.000 -0.033 0.000 1.315 690 I HN -0.257 nan 8.210 nan 0.000 0.446 691 P HA 0.022 nan 4.420 nan 0.000 0.240 691 P C -0.685 176.621 177.300 0.010 0.000 1.190 691 P CA 0.590 63.657 63.100 -0.055 0.000 0.781 691 P CB 0.277 31.926 31.700 -0.085 0.000 0.931 692 N N -0.256 118.504 118.700 0.100 0.000 2.264 692 N HA 0.195 4.934 4.740 -0.001 0.000 0.288 692 N C -0.779 174.796 175.510 0.109 0.000 1.094 692 N CA -0.489 52.692 53.050 0.218 0.000 0.817 692 N CB 1.910 40.587 38.487 0.318 0.000 1.604 692 N HN -0.227 nan 8.380 nan 0.000 0.473 693 T N -1.392 113.227 114.554 0.107 0.000 2.897 693 T HA 0.446 4.796 4.350 -0.001 0.000 0.294 693 T C 0.709 175.412 174.700 0.006 0.000 1.004 693 T CA -0.566 61.566 62.100 0.053 0.000 1.106 693 T CB 0.897 69.831 68.868 0.110 0.000 0.949 693 T HN 0.505 nan 8.240 nan 0.000 0.520 694 V N 0.436 120.339 119.914 -0.019 0.000 2.975 694 V HA 0.704 4.823 4.120 -0.001 0.000 0.318 694 V C 0.982 177.031 176.094 -0.075 0.000 1.077 694 V CA -0.424 61.849 62.300 -0.046 0.000 1.000 694 V CB 1.193 32.994 31.823 -0.036 0.000 1.066 694 V HN 1.068 nan 8.190 nan 0.000 0.452 695 T N -0.851 113.650 114.554 -0.088 0.000 3.393 695 T HA 0.240 4.589 4.350 -0.001 0.000 0.248 695 T C 0.289 174.935 174.700 -0.090 0.000 0.992 695 T CA -0.185 61.859 62.100 -0.094 0.000 0.929 695 T CB -0.943 67.847 68.868 -0.130 0.000 1.065 695 T HN 0.617 nan 8.240 nan 0.000 0.597 696 V N 2.185 122.044 119.914 -0.092 0.000 2.540 696 V HA 0.531 4.650 4.120 -0.001 0.000 0.297 696 V C 1.284 177.318 176.094 -0.100 0.000 1.024 696 V CA 1.290 63.539 62.300 -0.086 0.000 1.105 696 V CB -0.374 31.404 31.823 -0.075 0.000 0.938 696 V HN 1.072 nan 8.190 nan 0.000 0.482 697 G N 4.975 113.735 108.800 -0.066 0.000 2.298 697 G HA2 -0.107 3.852 3.960 -0.001 0.000 0.309 697 G HA3 -0.107 3.852 3.960 -0.001 0.000 0.309 697 G C -0.250 174.672 174.900 0.036 0.000 1.279 697 G CA -0.263 44.804 45.100 -0.055 0.000 1.042 697 G HN 0.488 nan 8.290 nan 0.000 0.480 698 N N 1.322 120.065 118.700 0.071 0.000 2.351 698 N HA 0.434 5.174 4.740 -0.001 0.000 0.254 698 N C 1.028 176.604 175.510 0.109 0.000 1.241 698 N CA 1.232 54.389 53.050 0.178 0.000 0.883 698 N CB 0.971 39.538 38.487 0.134 0.000 1.202 698 N HN 1.907 nan 8.380 nan 0.000 0.512 699 G N 0.419 109.194 108.800 -0.041 0.000 2.698 699 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.233 699 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.233 699 G C -0.878 173.928 174.900 -0.156 0.000 1.352 699 G CA -0.365 44.484 45.100 -0.418 0.000 0.879 699 G HN 0.156 nan 8.290 nan 0.000 0.567 700 V N 0.663 120.488 119.914 -0.150 0.000 2.789 700 V HA 0.879 4.998 4.120 -0.001 0.000 0.311 700 V C 0.926 177.011 176.094 -0.016 0.000 1.073 700 V CA 1.396 63.726 62.300 0.050 0.000 0.921 700 V CB 1.444 33.411 31.823 0.239 0.000 1.009 700 V HN 2.693 nan 8.190 nan 0.000 0.426 701 G N 4.348 113.143 108.800 -0.009 0.000 2.419 701 G HA2 0.330 4.289 3.960 -0.001 0.000 0.061 701 G HA3 0.330 4.289 3.960 -0.001 0.000 0.061 701 G C -1.025 173.882 174.900 0.012 0.000 0.907 701 G CA 0.394 45.428 45.100 -0.109 0.000 1.174 701 G HN 1.628 nan 8.290 nan 0.000 0.468 702 F N -1.878 117.902 119.950 -0.284 0.000 2.842 702 F HA 0.814 5.340 4.527 -0.001 0.000 0.319 702 F C -2.203 173.399 175.800 -0.329 0.000 1.159 702 F CA -1.948 55.931 58.000 -0.202 0.000 0.902 702 F CB 0.803 39.697 39.000 -0.177 0.000 1.311 702 F HN 0.459 nan 8.300 nan 0.000 0.453 703 F N 1.917 121.919 119.950 0.087 0.000 2.532 703 F HA 0.755 5.282 4.527 -0.001 0.000 0.321 703 F C -0.717 175.135 175.800 0.086 0.000 1.089 703 F CA -0.895 57.084 58.000 -0.035 0.000 0.926 703 F CB 2.186 41.107 39.000 -0.132 0.000 1.168 703 F HN 0.438 nan 8.300 nan 0.000 0.459 704 L N 4.459 125.818 121.223 0.227 0.000 2.319 704 L HA 0.623 4.962 4.340 -0.001 0.000 0.281 704 L C -0.700 176.301 176.870 0.218 0.000 1.005 704 L CA -0.640 54.347 54.840 0.245 0.000 0.828 704 L CB 1.589 43.791 42.059 0.237 0.000 1.227 704 L HN 0.584 nan 8.230 nan 0.000 0.415 705 R N 3.966 124.504 120.500 0.064 0.000 2.621 705 R HA 0.476 4.815 4.340 -0.001 0.000 0.292 705 R C -2.695 173.264 176.300 -0.569 0.000 0.969 705 R CA -1.966 54.035 56.100 -0.164 0.000 0.887 705 R CB 2.158 32.368 30.300 -0.150 0.000 1.180 705 R HN 0.286 nan 8.270 nan 0.000 0.450 706 P HA -0.047 nan 4.420 nan 0.000 0.271 706 P C -1.390 175.739 177.300 -0.284 0.000 1.226 706 P CA 0.115 62.637 63.100 -0.963 0.000 0.765 706 P CB 0.453 31.872 31.700 -0.469 0.000 0.835 707 Y N 4.513 124.589 120.300 -0.373 0.000 2.526 707 Y HA 0.235 4.784 4.550 -0.001 0.000 0.328 707 Y C 0.396 176.167 175.900 -0.214 0.000 0.995 707 Y CA -0.454 57.477 58.100 -0.281 0.000 1.304 707 Y CB 0.099 38.307 38.460 -0.421 0.000 1.096 707 Y HN 0.401 nan 8.280 nan 0.000 0.499 708 N N 3.457 121.955 118.700 -0.337 0.000 2.741 708 N HA -0.321 4.418 4.740 -0.001 0.000 0.251 708 N C 0.571 176.054 175.510 -0.044 0.000 1.112 708 N CA 1.495 54.413 53.050 -0.221 0.000 0.750 708 N CB -1.796 36.470 38.487 -0.369 0.000 1.119 708 N HN 0.748 nan 8.380 nan 0.000 0.561 709 F N -0.111 119.727 119.950 -0.186 0.000 2.367 709 F HA 0.223 4.749 4.527 -0.001 0.000 0.298 709 F C 0.664 176.244 175.800 -0.366 0.000 1.094 709 F CA 0.616 58.464 58.000 -0.253 0.000 1.409 709 F CB 0.214 39.010 39.000 -0.340 0.000 1.064 709 F HN -0.033 nan 8.300 nan 0.000 0.528 710 F N 0.101 120.139 119.950 0.146 0.000 2.585 710 F HA 0.284 4.810 4.527 -0.001 0.000 0.350 710 F C 1.243 177.060 175.800 0.028 0.000 1.074 710 F CA -0.877 57.169 58.000 0.077 0.000 1.032 710 F CB 0.316 39.407 39.000 0.153 0.000 1.330 710 F HN -0.336 nan 8.300 nan 0.000 0.495 711 D N -0.699 119.854 120.400 0.255 0.000 2.379 711 D HA 0.078 4.717 4.640 -0.001 0.000 0.208 711 D C -0.031 176.439 176.300 0.283 0.000 1.065 711 D CA 0.594 54.683 54.000 0.148 0.000 0.848 711 D CB 0.568 41.351 40.800 -0.028 0.000 0.949 711 D HN 0.620 nan 8.370 nan 0.000 0.509 712 Q N -1.120 118.822 119.800 0.238 0.000 2.919 712 Q HA 0.167 4.506 4.340 -0.001 0.000 0.323 712 Q C -1.093 174.956 176.000 0.082 0.000 0.829 712 Q CA -0.871 55.031 55.803 0.166 0.000 0.803 712 Q CB 1.072 29.897 28.738 0.144 0.000 1.423 712 Q HN -0.155 nan 8.270 nan 0.000 0.478 713 E N 2.252 122.468 120.200 0.027 0.000 2.480 713 E HA 0.092 4.442 4.350 -0.001 0.000 0.258 713 E C -1.772 174.757 176.600 -0.119 0.000 0.984 713 E CA -1.175 55.202 56.400 -0.039 0.000 0.930 713 E CB 0.500 30.193 29.700 -0.011 0.000 0.936 713 E HN 0.304 nan 8.360 nan 0.000 0.466 714 P HA 0.002 nan 4.420 nan 0.000 0.272 714 P C -0.639 176.587 177.300 -0.125 0.000 1.230 714 P CA -0.305 62.579 63.100 -0.361 0.000 0.788 714 P CB 1.016 32.285 31.700 -0.718 0.000 0.949 715 S N 0.843 116.495 115.700 -0.081 0.000 2.608 715 S HA 0.465 4.934 4.470 -0.001 0.000 0.261 715 S C 0.542 175.134 174.600 -0.013 0.000 1.314 715 S CA -0.298 57.882 58.200 -0.034 0.000 0.992 715 S CB -0.080 63.100 63.200 -0.032 0.000 0.935 715 S HN 0.534 nan 8.310 nan 0.000 0.564 716 M N 0.986 120.588 119.600 0.003 0.000 2.378 716 M HA 0.685 5.164 4.480 -0.001 0.000 0.289 716 M C -1.559 174.750 176.300 0.015 0.000 1.136 716 M CA -0.850 54.464 55.300 0.023 0.000 0.917 716 M CB 2.033 34.671 32.600 0.064 0.000 1.669 716 M HN 0.469 nan 8.290 nan 0.000 0.461 717 D N 0.000 120.406 120.400 0.010 0.000 6.856 717 D HA 0.000 4.639 4.640 -0.001 0.000 0.175 717 D CA 0.000 54.008 54.000 0.013 0.000 0.868 717 D CB 0.000 40.794 40.800 -0.011 0.000 0.688 717 D HN 0.000 nan 8.370 nan 0.000 0.683