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 2c9f_1_B DATA FIRST_RESID 52 DATA SEQUENCE RNSIRYSELA PLFDTTRVYL VDNKSTDVAS LNYQNDHSNF LTTVIQNNDY DATA SEQUENCE SPGEASTQTI NLDDRSHWGG DLKTILHTNM PNVNEFMFTN KFKARVMVSR DATA SEQUENCE SLTKDKQVEL KYEWVEFTLP EGNYSETMTI DLMNNAIVEH YLKVGRQNGV DATA SEQUENCE LESDIGVKFD TRNFRLGFDP VTGLVMPGVY TNEAFHPDII LLPGCGVDFT DATA SEQUENCE HSRLSNLLGI RKRQPFQEGF RITYDDLEGG NIPALLDVDA YQASLXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XKKPVIKPLT EDSKKRSYNL ISNDSTFTQY DATA SEQUENCE RSWYLAYNYG DPQTGIRSWT LLCTPDVTCG SEQVYWSLPD MMQDPVTFRS DATA SEQUENCE TSQISNFPVV GAELLPVHSK SFYNDQAVYS QLIRQFTSLT HVFNRFPENQ DATA SEQUENCE ILARPPAPTI TTVSENVPAL TDHGTLPLRN SIGGVQRVTI TDARRRTCPY DATA SEQUENCE VYKALGIVSP RVLSSR 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 52 R HA 0.000 nan 4.340 nan 0.000 0.208 52 R C 0.000 176.246 176.300 -0.090 0.000 0.893 52 R CA 0.000 56.036 56.100 -0.107 0.000 0.921 52 R CB 0.000 30.217 30.300 -0.138 0.000 0.687 53 N N 1.005 119.662 118.700 -0.071 0.000 2.550 53 N HA 0.023 4.763 4.740 -0.001 0.000 0.277 53 N C -0.816 174.852 175.510 0.263 0.000 1.595 53 N CA 0.125 53.206 53.050 0.053 0.000 0.888 53 N CB 0.696 39.132 38.487 -0.085 0.000 1.424 53 N HN 0.200 nan 8.380 nan 0.000 0.501 54 S N 0.620 116.456 115.700 0.227 0.000 2.625 54 S HA 0.652 5.121 4.470 -0.001 0.000 0.258 54 S C 0.377 175.172 174.600 0.324 0.000 1.256 54 S CA -0.317 58.085 58.200 0.337 0.000 0.983 54 S CB 0.865 64.215 63.200 0.251 0.000 1.032 54 S HN 0.309 nan 8.310 nan 0.000 0.572 55 I N 0.589 121.293 120.570 0.222 0.000 2.606 55 I HA 0.273 4.442 4.170 -0.001 0.000 0.275 55 I C -0.696 175.447 176.117 0.044 0.000 1.220 55 I CA -0.263 61.039 61.300 0.004 0.000 1.098 55 I CB 1.428 39.399 38.000 -0.049 0.000 1.321 55 I HN 0.540 nan 8.210 nan 0.000 0.468 56 R N 3.837 124.357 120.500 0.033 0.000 2.598 56 R HA 0.665 5.004 4.340 -0.001 0.000 0.279 56 R C -1.484 174.875 176.300 0.099 0.000 0.984 56 R CA -0.725 55.412 56.100 0.062 0.000 0.999 56 R CB 2.311 32.641 30.300 0.051 0.000 1.114 56 R HN 0.391 nan 8.270 nan 0.000 0.493 57 Y N 1.084 121.356 120.300 -0.046 0.000 2.470 57 Y HA 0.188 4.737 4.550 -0.001 0.000 0.341 57 Y C 0.778 176.649 175.900 -0.049 0.000 1.021 57 Y CA -0.329 57.736 58.100 -0.060 0.000 1.025 57 Y CB 1.576 39.998 38.460 -0.063 0.000 1.266 57 Y HN 0.837 nan 8.280 nan 0.000 0.448 58 S N 3.163 118.335 115.700 -0.879 0.000 4.116 58 S HA -0.379 4.090 4.470 -0.001 0.000 0.538 58 S C 0.416 174.791 174.600 -0.375 0.000 0.935 58 S CA 2.274 60.037 58.200 -0.729 0.000 3.405 58 S CB -1.126 61.421 63.200 -1.089 0.000 2.341 58 S HN 0.893 nan 8.310 nan 0.000 0.475 59 E N 1.014 121.025 120.200 -0.315 0.000 2.795 59 E HA 0.614 4.964 4.350 -0.001 0.000 0.226 59 E C -1.144 175.434 176.600 -0.037 0.000 1.088 59 E CA -0.245 56.084 56.400 -0.118 0.000 0.812 59 E CB 0.131 29.791 29.700 -0.067 0.000 1.328 59 E HN 0.465 nan 8.360 nan 0.000 0.410 60 L N 1.108 122.334 121.223 0.005 0.000 2.479 60 L HA 0.637 4.976 4.340 -0.001 0.000 0.255 60 L C -0.182 176.710 176.870 0.037 0.000 1.026 60 L CA -1.221 53.658 54.840 0.066 0.000 0.842 60 L CB 1.872 44.037 42.059 0.176 0.000 1.444 60 L HN 0.400 nan 8.230 nan 0.000 0.409 61 A N 1.784 124.613 122.820 0.015 0.000 2.561 61 A HA 0.376 4.696 4.320 -0.001 0.000 0.234 61 A C -2.382 175.177 177.584 -0.043 0.000 1.055 61 A CA -0.374 51.649 52.037 -0.022 0.000 0.756 61 A CB -0.795 18.174 19.000 -0.052 0.000 0.986 61 A HN 0.368 nan 8.150 nan 0.000 0.505 62 P HA 0.397 nan 4.420 nan 0.000 0.275 62 P C -0.765 176.351 177.300 -0.306 0.000 1.228 62 P CA -0.020 63.054 63.100 -0.044 0.000 0.786 62 P CB 0.588 32.369 31.700 0.136 0.000 0.927 63 L N 2.677 123.786 121.223 -0.190 0.000 2.330 63 L HA 0.572 4.911 4.340 -0.001 0.000 0.271 63 L C -0.231 176.641 176.870 0.003 0.000 1.013 63 L CA -0.684 53.993 54.840 -0.272 0.000 0.816 63 L CB 1.036 43.040 42.059 -0.092 0.000 1.287 63 L HN 0.323 nan 8.230 nan 0.000 0.435 64 F N -0.088 119.899 119.950 0.063 0.000 2.563 64 F HA 0.357 4.884 4.527 -0.001 0.000 0.316 64 F C 0.391 176.259 175.800 0.113 0.000 1.076 64 F CA -0.848 57.211 58.000 0.098 0.000 0.921 64 F CB 1.949 40.993 39.000 0.073 0.000 1.209 64 F HN 0.568 nan 8.300 nan 0.000 0.462 65 D N -0.355 120.281 120.400 0.393 0.000 2.332 65 D HA -0.219 4.421 4.640 -0.001 0.000 0.166 65 D C 0.255 176.721 176.300 0.277 0.000 1.574 65 D CA 2.072 56.231 54.000 0.265 0.000 1.598 65 D CB -0.681 40.220 40.800 0.169 0.000 1.354 65 D HN 0.669 nan 8.370 nan 0.000 0.481 66 T N -2.445 112.248 114.554 0.232 0.000 2.737 66 T HA 0.453 4.803 4.350 -0.001 0.000 0.312 66 T C -1.299 173.439 174.700 0.064 0.000 1.857 66 T CA 0.670 62.869 62.100 0.165 0.000 0.999 66 T CB 1.530 70.468 68.868 0.117 0.000 1.854 66 T HN 0.354 nan 8.240 nan 0.000 0.513 67 T N 0.545 115.102 114.554 0.004 0.000 2.686 67 T HA 0.545 4.894 4.350 -0.001 0.000 0.289 67 T C -2.039 172.588 174.700 -0.122 0.000 1.783 67 T CA -0.558 61.510 62.100 -0.053 0.000 0.966 67 T CB 0.675 69.502 68.868 -0.067 0.000 2.034 67 T HN 0.779 nan 8.240 nan 0.000 0.436 68 R N 0.982 121.361 120.500 -0.201 0.000 2.564 68 R HA 0.623 4.963 4.340 -0.001 0.000 0.284 68 R C -1.096 174.904 176.300 -0.500 0.000 1.031 68 R CA -0.808 55.057 56.100 -0.392 0.000 0.904 68 R CB 2.123 32.089 30.300 -0.556 0.000 1.199 68 R HN 0.644 nan 8.270 nan 0.000 0.443 69 V N -0.039 119.602 119.914 -0.455 0.000 2.483 69 V HA 0.617 4.737 4.120 -0.001 0.000 0.295 69 V C -1.031 174.844 176.094 -0.365 0.000 1.035 69 V CA -0.825 61.286 62.300 -0.315 0.000 0.896 69 V CB 1.169 32.874 31.823 -0.196 0.000 0.986 69 V HN 0.591 nan 8.190 nan 0.000 0.447 70 Y N 3.986 124.249 120.300 -0.061 0.000 2.335 70 Y HA 0.679 5.228 4.550 -0.001 0.000 0.338 70 Y C -0.002 175.883 175.900 -0.025 0.000 0.977 70 Y CA -0.830 57.245 58.100 -0.041 0.000 1.114 70 Y CB 1.913 40.354 38.460 -0.032 0.000 1.182 70 Y HN 0.559 nan 8.280 nan 0.000 0.463 71 L N 5.182 126.488 121.223 0.138 0.000 2.262 71 L HA 0.662 5.002 4.340 -0.001 0.000 0.288 71 L C -0.687 176.287 176.870 0.174 0.000 1.035 71 L CA -0.781 54.124 54.840 0.109 0.000 0.820 71 L CB 1.054 43.142 42.059 0.048 0.000 1.204 71 L HN 0.450 nan 8.230 nan 0.000 0.424 72 V N 3.037 123.065 119.914 0.190 0.000 2.851 72 V HA 0.279 4.399 4.120 -0.001 0.000 0.307 72 V C -0.118 176.074 176.094 0.164 0.000 1.129 72 V CA -0.547 61.846 62.300 0.155 0.000 0.932 72 V CB 2.170 34.023 31.823 0.051 0.000 1.024 72 V HN 0.804 nan 8.190 nan 0.000 0.426 73 D N 3.670 124.057 120.400 -0.022 0.000 2.103 73 D HA -0.141 4.498 4.640 -0.001 0.000 0.199 73 D C 1.304 177.497 176.300 -0.178 0.000 0.978 73 D CA 1.828 55.650 54.000 -0.296 0.000 0.829 73 D CB -0.508 39.677 40.800 -1.025 0.000 0.981 73 D HN 0.742 nan 8.370 nan 0.000 0.464 74 N N 0.865 119.455 118.700 -0.184 0.000 2.089 74 N HA -0.180 4.560 4.740 -0.001 0.000 0.198 74 N C 0.021 175.506 175.510 -0.040 0.000 1.017 74 N CA 1.095 54.082 53.050 -0.105 0.000 0.880 74 N CB -0.390 38.039 38.487 -0.096 0.000 1.042 74 N HN 0.180 nan 8.380 nan 0.000 0.446 75 K N 1.295 121.681 120.400 -0.023 0.000 2.490 75 K HA -0.149 4.171 4.320 -0.001 0.000 0.264 75 K C 0.767 177.374 176.600 0.012 0.000 1.027 75 K CA -0.067 56.220 56.287 -0.000 0.000 1.139 75 K CB 0.215 32.727 32.500 0.020 0.000 0.792 75 K HN 0.212 nan 8.250 nan 0.000 0.479 76 S N 1.982 117.689 115.700 0.011 0.000 2.368 76 S HA -0.182 4.287 4.470 -0.001 0.000 0.225 76 S C 2.182 176.800 174.600 0.030 0.000 1.030 76 S CA 1.924 60.136 58.200 0.020 0.000 0.999 76 S CB -0.291 62.917 63.200 0.015 0.000 0.844 76 S HN 0.878 nan 8.310 nan 0.000 0.459 77 T N 2.388 116.959 114.554 0.030 0.000 2.643 77 T HA -0.214 4.135 4.350 -0.001 0.000 0.264 77 T C 1.664 176.391 174.700 0.045 0.000 1.045 77 T CA 1.629 63.750 62.100 0.035 0.000 1.155 77 T CB -0.983 67.907 68.868 0.037 0.000 0.863 77 T HN 0.535 nan 8.240 nan 0.000 0.420 78 D N 1.718 122.149 120.400 0.053 0.000 2.144 78 D HA -0.098 4.542 4.640 -0.001 0.000 0.199 78 D C 2.199 178.548 176.300 0.083 0.000 0.984 78 D CA 0.960 55.001 54.000 0.068 0.000 0.834 78 D CB -1.066 39.781 40.800 0.079 0.000 0.955 78 D HN 0.419 nan 8.370 nan 0.000 0.465 79 V N 1.548 121.508 119.914 0.077 0.000 2.287 79 V HA -0.266 3.853 4.120 -0.001 0.000 0.248 79 V C 2.887 179.050 176.094 0.116 0.000 1.053 79 V CA 2.087 64.443 62.300 0.092 0.000 1.027 79 V CB -1.131 30.733 31.823 0.068 0.000 0.646 79 V HN 0.434 nan 8.190 nan 0.000 0.447 80 A N 0.687 123.559 122.820 0.086 0.000 1.842 80 A HA -0.262 4.057 4.320 -0.001 0.000 0.217 80 A C 2.443 180.059 177.584 0.053 0.000 1.206 80 A CA 3.174 55.257 52.037 0.076 0.000 0.630 80 A CB -1.057 17.969 19.000 0.043 0.000 0.839 80 A HN 0.681 nan 8.150 nan 0.000 0.447 81 S N 0.250 115.972 115.700 0.036 0.000 2.365 81 S HA 0.023 4.493 4.470 -0.001 0.000 0.194 81 S C 1.732 176.357 174.600 0.041 0.000 1.093 81 S CA 0.923 59.130 58.200 0.012 0.000 1.224 81 S CB -1.357 61.853 63.200 0.017 0.000 0.961 81 S HN 0.428 nan 8.310 nan 0.000 0.412 82 L N 2.323 123.583 121.223 0.062 0.000 2.158 82 L HA -0.223 4.116 4.340 -0.001 0.000 0.249 82 L C 1.069 178.016 176.870 0.128 0.000 1.097 82 L CA 1.586 56.477 54.840 0.086 0.000 0.844 82 L CB -1.610 40.505 42.059 0.093 0.000 0.940 82 L HN 0.498 nan 8.230 nan 0.000 0.436 83 N N -0.924 117.871 118.700 0.159 0.000 2.381 83 N HA -0.003 4.736 4.740 -0.001 0.000 0.241 83 N C 0.044 175.702 175.510 0.248 0.000 1.279 83 N CA 0.456 53.618 53.050 0.187 0.000 0.896 83 N CB 1.333 39.934 38.487 0.191 0.000 1.118 83 N HN 0.495 nan 8.380 nan 0.000 0.438 84 Y N -0.413 119.914 120.300 0.045 0.000 2.980 84 Y HA -0.021 4.528 4.550 -0.001 0.000 0.142 84 Y C 0.594 176.501 175.900 0.013 0.000 0.999 84 Y CA 0.085 58.199 58.100 0.024 0.000 1.833 84 Y CB -0.089 38.384 38.460 0.021 0.000 1.290 84 Y HN 0.466 nan 8.280 nan 0.000 0.258 85 Q N 2.001 121.875 119.800 0.124 0.000 2.373 85 Q HA 0.169 4.508 4.340 -0.001 0.000 0.206 85 Q C -0.307 175.695 176.000 0.003 0.000 0.942 85 Q CA 0.163 55.972 55.803 0.010 0.000 0.953 85 Q CB 0.042 28.839 28.738 0.098 0.000 1.022 85 Q HN 0.307 nan 8.270 nan 0.000 0.502 86 N N 1.298 120.018 118.700 0.032 0.000 2.604 86 N HA 0.285 5.025 4.740 -0.001 0.000 0.297 86 N C -0.634 174.876 175.510 0.000 0.000 1.266 86 N CA -0.185 52.896 53.050 0.050 0.000 0.961 86 N CB 1.097 39.666 38.487 0.135 0.000 1.166 86 N HN 0.067 nan 8.380 nan 0.000 0.601 87 D N -3.279 117.139 120.400 0.030 0.000 2.626 87 D HA 0.147 4.787 4.640 -0.001 0.000 0.278 87 D C -0.983 175.360 176.300 0.072 0.000 1.211 87 D CA -0.571 53.398 54.000 -0.052 0.000 0.903 87 D CB 0.201 40.922 40.800 -0.132 0.000 1.408 87 D HN 0.414 nan 8.370 nan 0.000 0.454 88 H N -0.161 118.830 119.070 -0.132 0.000 4.757 88 H HA 0.300 4.855 4.556 -0.001 0.000 0.167 88 H C -0.033 175.297 175.328 0.003 0.000 1.205 88 H CA 0.129 56.062 56.048 -0.191 0.000 1.354 88 H CB 0.009 29.632 29.762 -0.232 0.000 1.570 88 H HN 0.333 nan 8.280 nan 0.000 0.884 89 S N 1.180 117.043 115.700 0.272 0.000 2.474 89 S HA -0.047 4.422 4.470 -0.001 0.000 0.223 89 S C -0.605 174.103 174.600 0.180 0.000 0.880 89 S CA -0.484 57.812 58.200 0.160 0.000 1.579 89 S CB 0.193 63.407 63.200 0.023 0.000 1.264 89 S HN 0.548 nan 8.310 nan 0.000 0.616 90 N N 1.114 120.000 118.700 0.309 0.000 3.151 90 N HA 0.352 5.092 4.740 -0.001 0.000 0.219 90 N C -1.047 174.647 175.510 0.307 0.000 1.434 90 N CA -0.282 52.891 53.050 0.205 0.000 0.767 90 N CB 0.132 38.695 38.487 0.127 0.000 1.564 90 N HN 0.388 nan 8.380 nan 0.000 0.612 91 F N 0.302 120.286 119.950 0.056 0.000 2.664 91 F HA 0.745 5.272 4.527 -0.001 0.000 0.317 91 F C -1.345 174.482 175.800 0.044 0.000 1.108 91 F CA -1.120 56.914 58.000 0.057 0.000 0.957 91 F CB 1.317 40.357 39.000 0.067 0.000 1.365 91 F HN -0.054 nan 8.300 nan 0.000 0.475 92 L N 0.918 122.258 121.223 0.194 0.000 2.332 92 L HA 0.838 5.177 4.340 -0.001 0.000 0.269 92 L C -0.378 176.592 176.870 0.167 0.000 1.016 92 L CA -0.863 54.008 54.840 0.053 0.000 0.809 92 L CB 2.083 44.183 42.059 0.068 0.000 1.280 92 L HN 0.938 nan 8.230 nan 0.000 0.447 93 T N -0.439 114.158 114.554 0.072 0.000 2.957 93 T HA 0.354 4.703 4.350 -0.001 0.000 0.336 93 T C -0.895 173.834 174.700 0.049 0.000 1.462 93 T CA -0.510 61.661 62.100 0.118 0.000 1.073 93 T CB 1.560 70.539 68.868 0.185 0.000 1.319 93 T HN 0.761 nan 8.240 nan 0.000 0.485 94 T N 1.273 115.858 114.554 0.051 0.000 2.845 94 T HA 0.522 4.872 4.350 -0.001 0.000 0.288 94 T C 1.183 175.892 174.700 0.016 0.000 0.980 94 T CA -0.590 61.525 62.100 0.024 0.000 1.071 94 T CB 1.232 70.118 68.868 0.029 0.000 0.941 94 T HN 0.369 nan 8.240 nan 0.000 0.487 95 V N 3.201 123.108 119.914 -0.012 0.000 3.506 95 V HA 0.008 4.127 4.120 -0.001 0.000 0.263 95 V C 2.334 178.398 176.094 -0.051 0.000 1.203 95 V CA 0.032 62.319 62.300 -0.022 0.000 1.133 95 V CB -0.818 30.973 31.823 -0.053 0.000 0.802 95 V HN 0.804 nan 8.190 nan 0.000 0.459 96 I N 0.165 120.698 120.570 -0.062 0.000 2.087 96 I HA -0.279 3.890 4.170 -0.001 0.000 0.240 96 I C 1.794 177.846 176.117 -0.109 0.000 1.054 96 I CA 1.445 62.677 61.300 -0.113 0.000 1.311 96 I CB -0.975 36.997 38.000 -0.047 0.000 1.024 96 I HN 0.420 nan 8.210 nan 0.000 0.402 97 Q N -0.139 119.642 119.800 -0.032 0.000 2.452 97 Q HA -0.255 4.084 4.340 -0.001 0.000 0.248 97 Q C 0.250 176.246 176.000 -0.008 0.000 0.874 97 Q CA 0.854 56.646 55.803 -0.018 0.000 1.208 97 Q CB -2.733 25.999 28.738 -0.011 0.000 1.569 97 Q HN 0.816 nan 8.270 nan 0.000 0.579 98 N N 0.616 119.333 118.700 0.028 0.000 2.444 98 N HA 0.144 4.883 4.740 -0.001 0.000 0.262 98 N C 1.186 176.780 175.510 0.140 0.000 0.974 98 N CA -0.111 53.001 53.050 0.104 0.000 0.933 98 N CB 0.540 39.158 38.487 0.219 0.000 1.137 98 N HN 0.101 nan 8.380 nan 0.000 0.498 99 N N 3.647 122.401 118.700 0.090 0.000 2.133 99 N HA -0.194 4.545 4.740 -0.001 0.000 0.193 99 N C -0.325 175.224 175.510 0.065 0.000 1.012 99 N CA 1.511 54.599 53.050 0.063 0.000 0.871 99 N CB -0.023 38.484 38.487 0.033 0.000 1.011 99 N HN 0.673 nan 8.380 nan 0.000 0.435 100 D N -0.591 119.852 120.400 0.071 0.000 2.398 100 D HA 0.074 4.713 4.640 -0.001 0.000 0.264 100 D C -0.081 176.263 176.300 0.073 0.000 1.263 100 D CA 0.055 54.018 54.000 -0.062 0.000 1.037 100 D CB -0.010 40.597 40.800 -0.322 0.000 1.101 100 D HN 0.213 nan 8.370 nan 0.000 0.551 101 Y N -1.069 119.249 120.300 0.030 0.000 2.611 101 Y HA -0.230 4.319 4.550 -0.001 0.000 0.032 101 Y C 0.490 176.407 175.900 0.027 0.000 1.807 101 Y CA -0.378 57.741 58.100 0.032 0.000 1.343 101 Y CB -1.320 37.172 38.460 0.052 0.000 1.994 101 Y HN 0.168 nan 8.280 nan 0.000 0.270 102 S N 4.988 120.787 115.700 0.164 0.000 2.533 102 S HA 0.372 4.841 4.470 -0.001 0.000 0.282 102 S C -2.102 172.561 174.600 0.104 0.000 1.304 102 S CA -1.225 57.035 58.200 0.100 0.000 1.063 102 S CB 1.193 64.433 63.200 0.068 0.000 0.881 102 S HN 0.458 nan 8.310 nan 0.000 0.493 103 P HA 0.156 nan 4.420 nan 0.000 0.269 103 P C 1.256 178.588 177.300 0.054 0.000 1.211 103 P CA 1.127 64.266 63.100 0.064 0.000 0.781 103 P CB 0.064 31.796 31.700 0.053 0.000 0.877 104 G N 1.778 110.604 108.800 0.043 0.000 3.909 104 G HA2 -0.367 3.592 3.960 -0.001 0.000 0.218 104 G HA3 -0.367 3.592 3.960 -0.001 0.000 0.218 104 G C 1.214 176.136 174.900 0.036 0.000 1.404 104 G CA 0.548 45.669 45.100 0.034 0.000 0.905 104 G HN 0.611 nan 8.290 nan 0.000 0.589 105 E N 1.770 122.003 120.200 0.056 0.000 2.265 105 E HA 0.201 4.550 4.350 -0.001 0.000 0.196 105 E C 2.640 179.267 176.600 0.046 0.000 0.996 105 E CA 1.729 58.170 56.400 0.068 0.000 0.832 105 E CB -0.345 29.427 29.700 0.121 0.000 0.756 105 E HN 0.896 nan 8.360 nan 0.000 0.491 106 A N 0.778 123.626 122.820 0.047 0.000 1.873 106 A HA -0.171 4.148 4.320 -0.001 0.000 0.215 106 A C 2.335 179.912 177.584 -0.013 0.000 1.186 106 A CA 1.557 53.596 52.037 0.003 0.000 0.616 106 A CB -0.989 18.032 19.000 0.035 0.000 0.823 106 A HN 0.383 nan 8.150 nan 0.000 0.442 107 S N -0.416 115.287 115.700 0.005 0.000 2.428 107 S HA -0.229 4.240 4.470 -0.001 0.000 0.240 107 S C 1.871 176.464 174.600 -0.011 0.000 1.036 107 S CA 2.517 60.716 58.200 -0.001 0.000 1.009 107 S CB -0.831 62.373 63.200 0.007 0.000 0.803 107 S HN 0.606 nan 8.310 nan 0.000 0.486 108 T N 1.759 116.304 114.554 -0.015 0.000 2.737 108 T HA -0.006 4.343 4.350 -0.001 0.000 0.265 108 T C 1.030 175.706 174.700 -0.041 0.000 1.038 108 T CA 0.912 62.998 62.100 -0.024 0.000 1.144 108 T CB -0.277 68.578 68.868 -0.022 0.000 0.866 108 T HN 0.613 nan 8.240 nan 0.000 0.434 109 Q N 1.264 121.026 119.800 -0.063 0.000 2.700 109 Q HA 0.311 4.650 4.340 -0.001 0.000 0.232 109 Q C 0.109 176.107 176.000 -0.003 0.000 1.110 109 Q CA 0.275 56.041 55.803 -0.062 0.000 1.026 109 Q CB 0.389 29.088 28.738 -0.067 0.000 1.311 109 Q HN 0.510 nan 8.270 nan 0.000 0.583 110 T N -2.712 111.861 114.554 0.032 0.000 2.942 110 T HA 0.541 4.890 4.350 -0.001 0.000 0.327 110 T C -0.747 174.004 174.700 0.086 0.000 1.360 110 T CA -0.819 61.301 62.100 0.032 0.000 1.055 110 T CB 0.553 69.415 68.868 -0.010 0.000 1.261 110 T HN 0.408 nan 8.240 nan 0.000 0.485 111 I N 3.069 123.654 120.570 0.024 0.000 2.325 111 I HA 0.314 4.483 4.170 -0.001 0.000 0.291 111 I C -0.238 175.838 176.117 -0.068 0.000 1.019 111 I CA -0.863 60.434 61.300 -0.005 0.000 1.302 111 I CB 0.742 38.684 38.000 -0.097 0.000 1.401 111 I HN 0.560 nan 8.210 nan 0.000 0.485 112 N N 8.338 126.999 118.700 -0.065 0.000 2.444 112 N HA 0.419 5.159 4.740 -0.001 0.000 0.262 112 N C -0.759 174.628 175.510 -0.204 0.000 0.974 112 N CA -0.478 52.507 53.050 -0.107 0.000 0.933 112 N CB 2.193 40.651 38.487 -0.049 0.000 1.137 112 N HN 0.422 nan 8.380 nan 0.000 0.498 113 L N 1.121 122.128 121.223 -0.360 0.000 2.276 113 L HA 0.184 4.524 4.340 -0.001 0.000 0.286 113 L C 0.848 177.584 176.870 -0.224 0.000 1.061 113 L CA -0.836 53.556 54.840 -0.747 0.000 0.807 113 L CB 0.579 41.677 42.059 -1.601 0.000 1.177 113 L HN 0.370 nan 8.230 nan 0.000 0.429 114 D N 2.432 122.899 120.400 0.111 0.000 2.973 114 D HA -0.222 4.417 4.640 -0.001 0.000 0.214 114 D C 0.806 177.300 176.300 0.324 0.000 1.079 114 D CA 0.601 54.777 54.000 0.294 0.000 0.797 114 D CB 0.724 41.760 40.800 0.393 0.000 1.168 114 D HN 0.579 nan 8.370 nan 0.000 0.515 115 D N 3.260 123.750 120.400 0.150 0.000 2.149 115 D HA -0.097 4.542 4.640 -0.001 0.000 0.201 115 D C 1.540 177.870 176.300 0.051 0.000 0.972 115 D CA 0.659 54.718 54.000 0.098 0.000 0.835 115 D CB 0.185 41.013 40.800 0.046 0.000 0.966 115 D HN 0.485 nan 8.370 nan 0.000 0.476 116 R N -0.071 120.447 120.500 0.029 0.000 2.377 116 R HA 0.046 4.385 4.340 -0.001 0.000 0.207 116 R C 0.384 176.609 176.300 -0.125 0.000 1.075 116 R CA 0.317 56.389 56.100 -0.047 0.000 1.035 116 R CB 0.082 30.357 30.300 -0.041 0.000 0.857 116 R HN -0.023 nan 8.270 nan 0.000 0.475 117 S N -0.307 115.326 115.700 -0.111 0.000 2.570 117 S HA 0.320 4.789 4.470 -0.001 0.000 0.286 117 S C -0.961 173.488 174.600 -0.253 0.000 1.099 117 S CA -0.929 57.103 58.200 -0.279 0.000 0.913 117 S CB 1.947 64.888 63.200 -0.432 0.000 1.085 117 S HN 0.127 nan 8.310 nan 0.000 0.480 118 H N 0.660 119.662 119.070 -0.113 0.000 2.723 118 H HA 0.253 4.808 4.556 -0.001 0.000 0.294 118 H C -0.919 174.370 175.328 -0.066 0.000 1.079 118 H CA -0.251 55.796 56.048 -0.001 0.000 1.411 118 H CB 0.321 30.079 29.762 -0.006 0.000 1.439 118 H HN 0.527 nan 8.280 nan 0.000 0.474 119 W N 1.597 122.958 121.300 0.102 0.000 2.390 119 W HA 0.544 5.203 4.660 -0.001 0.000 0.362 119 W C 0.658 177.196 176.519 0.033 0.000 1.206 119 W CA -0.386 56.987 57.345 0.047 0.000 1.355 119 W CB 1.184 30.657 29.460 0.021 0.000 1.278 119 W HN 0.663 nan 8.180 nan 0.000 0.653 120 G N -0.790 108.189 108.800 0.297 0.000 2.692 120 G HA2 0.630 4.590 3.960 -0.001 0.000 0.291 120 G HA3 0.630 4.590 3.960 -0.001 0.000 0.291 120 G C -1.549 173.434 174.900 0.138 0.000 1.423 120 G CA -0.639 44.553 45.100 0.153 0.000 0.843 120 G HN 0.724 nan 8.290 nan 0.000 0.486 121 G N -0.227 108.610 108.800 0.063 0.000 2.682 121 G HA2 0.564 4.523 3.960 -0.001 0.000 0.300 121 G HA3 0.564 4.523 3.960 -0.001 0.000 0.300 121 G C -1.327 173.570 174.900 -0.004 0.000 1.391 121 G CA -0.646 44.471 45.100 0.030 0.000 0.990 121 G HN 0.433 nan 8.290 nan 0.000 0.501 122 D N 0.513 120.905 120.400 -0.013 0.000 2.350 122 D HA 0.252 4.892 4.640 -0.001 0.000 0.249 122 D C -0.538 175.734 176.300 -0.048 0.000 1.119 122 D CA 0.103 54.089 54.000 -0.024 0.000 0.886 122 D CB 2.729 43.515 40.800 -0.023 0.000 1.195 122 D HN 0.187 nan 8.370 nan 0.000 0.437 123 L N 2.820 124.016 121.223 -0.045 0.000 2.388 123 L HA 0.235 4.575 4.340 -0.001 0.000 0.267 123 L C -0.644 176.197 176.870 -0.049 0.000 0.995 123 L CA -0.565 54.229 54.840 -0.076 0.000 0.864 123 L CB 0.685 42.670 42.059 -0.123 0.000 1.216 123 L HN 0.165 nan 8.230 nan 0.000 0.430 124 K N 2.600 122.956 120.400 -0.072 0.000 2.156 124 K HA 0.847 5.166 4.320 -0.001 0.000 0.254 124 K C -0.453 176.089 176.600 -0.097 0.000 0.950 124 K CA -0.671 55.571 56.287 -0.075 0.000 0.849 124 K CB 1.745 34.208 32.500 -0.062 0.000 1.100 124 K HN 0.572 nan 8.250 nan 0.000 0.434 125 T N -1.582 112.913 114.554 -0.099 0.000 2.901 125 T HA 0.606 4.956 4.350 -0.001 0.000 0.293 125 T C -0.313 174.423 174.700 0.060 0.000 1.084 125 T CA -0.958 61.084 62.100 -0.097 0.000 1.008 125 T CB 0.907 69.527 68.868 -0.413 0.000 1.170 125 T HN 0.508 nan 8.240 nan 0.000 0.509 126 I N 2.134 122.789 120.570 0.141 0.000 2.420 126 I HA 0.427 4.597 4.170 -0.001 0.000 0.282 126 I C -1.228 175.046 176.117 0.262 0.000 1.019 126 I CA -0.895 60.500 61.300 0.158 0.000 1.130 126 I CB 1.546 39.600 38.000 0.091 0.000 1.262 126 I HN 0.476 nan 8.210 nan 0.000 0.454 127 L N 7.058 128.463 121.223 0.304 0.000 2.329 127 L HA 0.548 4.887 4.340 -0.001 0.000 0.279 127 L C -0.966 176.073 176.870 0.283 0.000 1.014 127 L CA -0.069 54.961 54.840 0.316 0.000 0.814 127 L CB 1.353 43.635 42.059 0.372 0.000 1.257 127 L HN 0.528 nan 8.230 nan 0.000 0.424 128 H N 2.948 122.090 119.070 0.121 0.000 3.017 128 H HA 0.476 5.031 4.556 -0.001 0.000 0.340 128 H C -1.046 174.385 175.328 0.172 0.000 1.014 128 H CA -0.132 55.998 56.048 0.136 0.000 1.341 128 H CB 1.426 31.282 29.762 0.157 0.000 1.739 128 H HN 0.844 nan 8.280 nan 0.000 0.506 129 T N 1.012 115.565 114.554 -0.002 0.000 2.780 129 T HA 0.333 4.682 4.350 -0.001 0.000 0.263 129 T C 0.228 174.824 174.700 -0.172 0.000 0.993 129 T CA -0.655 61.424 62.100 -0.035 0.000 1.010 129 T CB 1.079 69.998 68.868 0.084 0.000 1.642 129 T HN 0.846 nan 8.240 nan 0.000 0.587 130 N N -1.172 117.535 118.700 0.012 0.000 3.444 130 N HA 0.055 4.794 4.740 -0.001 0.000 0.148 130 N C -0.798 174.797 175.510 0.141 0.000 1.071 130 N CA -0.429 52.636 53.050 0.025 0.000 2.391 130 N CB -0.256 38.205 38.487 -0.043 0.000 1.507 130 N HN 0.611 nan 8.380 nan 0.000 0.732 131 M N 1.379 121.013 119.600 0.056 0.000 2.216 131 M HA 0.470 4.949 4.480 -0.001 0.000 0.356 131 M C -2.665 173.548 176.300 -0.145 0.000 1.205 131 M CA -1.119 54.023 55.300 -0.264 0.000 1.122 131 M CB 0.998 33.360 32.600 -0.396 0.000 1.571 131 M HN -0.016 nan 8.290 nan 0.000 0.464 132 P HA 0.142 nan 4.420 nan 0.000 0.275 132 P C -0.214 176.855 177.300 -0.386 0.000 1.227 132 P CA 0.019 63.045 63.100 -0.122 0.000 0.781 132 P CB 0.500 32.148 31.700 -0.086 0.000 0.906 133 N N 1.788 120.015 118.700 -0.789 0.000 2.036 133 N HA -0.151 4.588 4.740 -0.001 0.000 0.199 133 N C -0.339 174.927 175.510 -0.406 0.000 1.036 133 N CA 1.069 53.758 53.050 -0.601 0.000 0.870 133 N CB 0.049 37.967 38.487 -0.947 0.000 1.055 133 N HN 0.100 nan 8.380 nan 0.000 0.436 134 V N 1.841 121.489 119.914 -0.445 0.000 2.313 134 V HA 0.315 4.434 4.120 -0.001 0.000 0.278 134 V C -0.713 175.298 176.094 -0.138 0.000 1.017 134 V CA -0.782 61.379 62.300 -0.231 0.000 0.823 134 V CB 0.813 32.523 31.823 -0.187 0.000 1.010 134 V HN 0.482 nan 8.190 nan 0.000 0.443 135 N N 2.317 120.973 118.700 -0.073 0.000 2.774 135 N HA 0.285 5.024 4.740 -0.001 0.000 0.264 135 N C 0.499 176.071 175.510 0.102 0.000 1.415 135 N CA -0.882 52.183 53.050 0.026 0.000 0.815 135 N CB 1.635 40.139 38.487 0.028 0.000 1.514 135 N HN 0.346 nan 8.380 nan 0.000 0.523 136 E N -0.518 119.787 120.200 0.175 0.000 2.072 136 E HA -0.113 4.236 4.350 -0.001 0.000 0.190 136 E C 1.098 177.859 176.600 0.269 0.000 0.982 136 E CA 0.757 57.289 56.400 0.220 0.000 0.803 136 E CB -0.184 29.635 29.700 0.199 0.000 0.755 136 E HN 0.509 nan 8.360 nan 0.000 0.453 137 F N 0.743 120.750 119.950 0.096 0.000 2.171 137 F HA -0.116 4.410 4.527 -0.001 0.000 0.300 137 F C 1.837 177.478 175.800 -0.265 0.000 1.090 137 F CA 1.146 59.135 58.000 -0.018 0.000 1.293 137 F CB 0.030 39.088 39.000 0.097 0.000 1.013 137 F HN 0.056 nan 8.300 nan 0.000 0.486 138 M N -0.477 118.871 119.600 -0.421 0.000 2.556 138 M HA 0.095 4.574 4.480 -0.001 0.000 0.245 138 M C 0.129 176.258 176.300 -0.284 0.000 1.128 138 M CA 0.320 55.264 55.300 -0.593 0.000 1.069 138 M CB -1.430 30.980 32.600 -0.318 0.000 1.469 138 M HN 0.355 nan 8.290 nan 0.000 0.494 139 F N 0.775 120.658 119.950 -0.112 0.000 2.950 139 F HA -0.246 4.281 4.527 -0.001 0.000 0.334 139 F C 0.637 176.425 175.800 -0.021 0.000 0.979 139 F CA 0.333 58.307 58.000 -0.044 0.000 1.140 139 F CB -2.265 36.709 39.000 -0.045 0.000 1.281 139 F HN 0.287 nan 8.300 nan 0.000 0.734 140 T N -4.065 110.581 114.554 0.152 0.000 3.209 140 T HA 0.093 4.442 4.350 -0.001 0.000 0.295 140 T C 0.904 175.643 174.700 0.066 0.000 0.977 140 T CA 0.329 62.468 62.100 0.064 0.000 0.922 140 T CB 0.058 68.907 68.868 -0.031 0.000 1.152 140 T HN 0.455 nan 8.240 nan 0.000 0.527 141 N N 0.811 119.581 118.700 0.117 0.000 2.184 141 N HA 0.209 4.948 4.740 -0.001 0.000 0.206 141 N C -0.022 175.591 175.510 0.171 0.000 1.151 141 N CA -0.429 52.694 53.050 0.120 0.000 0.878 141 N CB 0.541 39.093 38.487 0.107 0.000 1.014 141 N HN 0.369 nan 8.380 nan 0.000 0.512 142 K N 0.139 120.655 120.400 0.194 0.000 2.433 142 K HA 0.556 4.875 4.320 -0.001 0.000 0.252 142 K C -1.552 175.249 176.600 0.334 0.000 1.015 142 K CA -0.856 55.548 56.287 0.195 0.000 0.860 142 K CB 2.248 34.790 32.500 0.069 0.000 1.359 142 K HN 0.106 nan 8.250 nan 0.000 0.452 143 F N -1.407 118.573 119.950 0.050 0.000 2.637 143 F HA 0.325 4.851 4.527 -0.001 0.000 0.316 143 F C -1.722 174.091 175.800 0.022 0.000 1.023 143 F CA -1.094 56.897 58.000 -0.015 0.000 1.071 143 F CB 0.599 39.582 39.000 -0.028 0.000 1.319 143 F HN 0.195 nan 8.300 nan 0.000 0.541 144 K N 3.197 123.533 120.400 -0.107 0.000 2.174 144 K HA 0.872 5.191 4.320 -0.001 0.000 0.275 144 K C -0.521 176.147 176.600 0.114 0.000 1.015 144 K CA -0.433 55.778 56.287 -0.127 0.000 0.933 144 K CB 1.710 34.129 32.500 -0.135 0.000 1.025 144 K HN 0.899 nan 8.250 nan 0.000 0.463 145 A N 2.545 125.526 122.820 0.269 0.000 2.594 145 A HA 0.510 4.829 4.320 -0.001 0.000 0.295 145 A C -1.396 176.355 177.584 0.279 0.000 1.071 145 A CA -0.787 51.507 52.037 0.427 0.000 0.685 145 A CB 1.501 20.827 19.000 0.544 0.000 1.285 145 A HN 0.747 nan 8.150 nan 0.000 0.405 146 R N 0.782 121.227 120.500 -0.092 0.000 2.295 146 R HA 0.623 4.962 4.340 -0.001 0.000 0.324 146 R C -0.576 175.617 176.300 -0.178 0.000 0.968 146 R CA -0.296 55.529 56.100 -0.458 0.000 0.837 146 R CB 1.089 30.582 30.300 -1.345 0.000 1.133 146 R HN 0.973 nan 8.270 nan 0.000 0.450 147 V N 1.239 121.125 119.914 -0.048 0.000 3.158 147 V HA 0.573 4.692 4.120 -0.001 0.000 0.315 147 V C -0.086 176.108 176.094 0.167 0.000 1.148 147 V CA -1.335 61.011 62.300 0.077 0.000 1.042 147 V CB 1.893 33.765 31.823 0.082 0.000 1.101 147 V HN 0.819 nan 8.190 nan 0.000 0.448 148 M N 1.214 120.911 119.600 0.161 0.000 2.185 148 M HA 0.400 4.879 4.480 -0.001 0.000 0.357 148 M C 0.014 176.325 176.300 0.017 0.000 1.260 148 M CA -0.088 55.168 55.300 -0.074 0.000 1.124 148 M CB 1.543 34.021 32.600 -0.202 0.000 1.600 148 M HN 0.699 nan 8.290 nan 0.000 0.467 149 V N 2.173 122.053 119.914 -0.056 0.000 2.690 149 V HA 0.134 4.253 4.120 -0.001 0.000 0.240 149 V C 0.463 176.535 176.094 -0.036 0.000 1.078 149 V CA 0.982 63.296 62.300 0.023 0.000 1.102 149 V CB 0.574 32.412 31.823 0.025 0.000 0.800 149 V HN 0.936 nan 8.190 nan 0.000 0.479 150 S N 0.381 116.018 115.700 -0.104 0.000 2.541 150 S HA 0.743 5.212 4.470 -0.001 0.000 0.280 150 S C -0.870 173.655 174.600 -0.125 0.000 1.112 150 S CA -0.740 57.404 58.200 -0.093 0.000 0.925 150 S CB 2.748 65.905 63.200 -0.070 0.000 1.067 150 S HN 0.333 nan 8.310 nan 0.000 0.479 151 R N 1.559 122.008 120.500 -0.085 0.000 2.360 151 R HA 0.669 5.008 4.340 -0.001 0.000 0.318 151 R C -0.743 175.525 176.300 -0.053 0.000 0.950 151 R CA -0.015 56.039 56.100 -0.077 0.000 0.837 151 R CB 1.264 31.532 30.300 -0.052 0.000 1.165 151 R HN 0.981 nan 8.270 nan 0.000 0.458 152 S N 3.309 118.979 115.700 -0.049 0.000 2.632 152 S HA 0.510 4.979 4.470 -0.001 0.000 0.289 152 S C -1.298 173.286 174.600 -0.027 0.000 1.115 152 S CA -1.003 57.176 58.200 -0.036 0.000 0.889 152 S CB 1.657 64.837 63.200 -0.034 0.000 1.116 152 S HN 0.425 nan 8.310 nan 0.000 0.486 153 L N 2.130 123.340 121.223 -0.022 0.000 2.255 153 L HA 0.661 5.000 4.340 -0.001 0.000 0.289 153 L C -0.549 176.312 176.870 -0.015 0.000 1.046 153 L CA 0.657 55.486 54.840 -0.017 0.000 0.816 153 L CB 0.508 42.558 42.059 -0.015 0.000 1.197 153 L HN 0.976 nan 8.230 nan 0.000 0.427 154 T N 3.295 117.841 114.554 -0.012 0.000 2.916 154 T HA 0.345 4.694 4.350 -0.001 0.000 0.292 154 T C -0.506 174.190 174.700 -0.007 0.000 1.064 154 T CA -0.986 61.108 62.100 -0.010 0.000 1.011 154 T CB 1.768 70.630 68.868 -0.011 0.000 1.152 154 T HN 0.440 nan 8.240 nan 0.000 0.510 155 K N 2.647 123.044 120.400 -0.006 0.000 3.679 155 K HA -0.305 4.014 4.320 -0.001 0.000 0.274 155 K C 0.036 176.634 176.600 -0.004 0.000 0.839 155 K CA 0.764 57.049 56.287 -0.004 0.000 0.663 155 K CB -1.154 31.345 32.500 -0.002 0.000 1.638 155 K HN 0.785 nan 8.250 nan 0.000 0.443 156 D N -1.475 118.922 120.400 -0.005 0.000 4.018 156 D HA -0.252 4.387 4.640 -0.001 0.000 0.207 156 D C 0.860 177.157 176.300 -0.004 0.000 1.219 156 D CA 2.312 56.310 54.000 -0.004 0.000 2.366 156 D CB -0.673 40.125 40.800 -0.003 0.000 1.202 156 D HN 0.577 nan 8.370 nan 0.000 0.414 157 K N 0.534 120.932 120.400 -0.003 0.000 2.412 157 K HA 0.186 4.505 4.320 -0.001 0.000 0.202 157 K C 0.418 177.016 176.600 -0.003 0.000 1.102 157 K CA -0.075 56.211 56.287 -0.003 0.000 1.027 157 K CB 0.783 33.282 32.500 -0.002 0.000 0.931 157 K HN 0.303 nan 8.250 nan 0.000 0.557 158 Q N 1.771 121.570 119.800 -0.003 0.000 2.352 158 Q HA 0.114 4.454 4.340 -0.001 0.000 0.260 158 Q C -0.175 175.822 176.000 -0.006 0.000 0.976 158 Q CA -0.261 55.541 55.803 -0.002 0.000 0.881 158 Q CB 1.304 30.041 28.738 -0.001 0.000 1.235 158 Q HN -0.014 nan 8.270 nan 0.000 0.419 159 V N -0.362 119.549 119.914 -0.005 0.000 2.311 159 V HA 0.349 4.468 4.120 -0.001 0.000 0.275 159 V C -0.364 175.723 176.094 -0.012 0.000 1.022 159 V CA -0.673 61.620 62.300 -0.011 0.000 0.830 159 V CB 1.058 32.876 31.823 -0.009 0.000 1.012 159 V HN 0.760 nan 8.190 nan 0.000 0.452 160 E N 5.075 125.263 120.200 -0.021 0.000 2.081 160 E HA 0.494 4.844 4.350 -0.001 0.000 0.281 160 E C -1.073 175.496 176.600 -0.053 0.000 0.986 160 E CA -0.585 55.800 56.400 -0.024 0.000 0.796 160 E CB 1.188 30.876 29.700 -0.020 0.000 1.085 160 E HN 0.839 nan 8.360 nan 0.000 0.398 161 L N 5.115 126.303 121.223 -0.057 0.000 2.272 161 L HA 0.411 4.750 4.340 -0.001 0.000 0.289 161 L C -0.067 176.705 176.870 -0.163 0.000 1.032 161 L CA -0.740 54.005 54.840 -0.158 0.000 0.810 161 L CB 0.985 42.966 42.059 -0.130 0.000 1.205 161 L HN 0.260 nan 8.230 nan 0.000 0.422 162 K N 4.182 124.431 120.400 -0.252 0.000 2.394 162 K HA 0.458 4.778 4.320 -0.001 0.000 0.260 162 K C -1.176 175.279 176.600 -0.242 0.000 0.967 162 K CA -0.509 55.691 56.287 -0.144 0.000 0.855 162 K CB 1.839 34.294 32.500 -0.073 0.000 1.101 162 K HN 0.261 nan 8.250 nan 0.000 0.433 163 Y N 0.435 120.704 120.300 -0.052 0.000 2.487 163 Y HA 0.445 4.994 4.550 -0.001 0.000 0.337 163 Y C 0.523 176.359 175.900 -0.107 0.000 1.076 163 Y CA -0.631 57.413 58.100 -0.092 0.000 1.115 163 Y CB 2.113 40.483 38.460 -0.150 0.000 1.235 163 Y HN 0.534 nan 8.280 nan 0.000 0.468 164 E N 0.971 121.191 120.200 0.034 0.000 2.392 164 E HA 0.312 4.661 4.350 -0.001 0.000 0.279 164 E C -2.029 174.518 176.600 -0.088 0.000 0.964 164 E CA -0.792 55.599 56.400 -0.015 0.000 0.777 164 E CB 1.356 31.087 29.700 0.052 0.000 1.249 164 E HN 0.607 nan 8.360 nan 0.000 0.449 165 W N 2.204 123.494 121.300 -0.016 0.000 2.313 165 W HA 0.533 5.193 4.660 -0.001 0.000 0.328 165 W C -0.323 176.095 176.519 -0.170 0.000 1.197 165 W CA -0.210 57.087 57.345 -0.081 0.000 1.235 165 W CB 1.483 30.899 29.460 -0.073 0.000 1.158 165 W HN 0.236 nan 8.180 nan 0.000 0.578 166 V N 2.476 122.365 119.914 -0.041 0.000 3.077 166 V HA 0.322 4.442 4.120 -0.001 0.000 0.299 166 V C -1.336 174.303 176.094 -0.758 0.000 1.276 166 V CA -0.990 61.091 62.300 -0.365 0.000 0.993 166 V CB 1.967 33.508 31.823 -0.470 0.000 1.076 166 V HN 0.584 nan 8.190 nan 0.000 0.434 167 E N 4.911 124.732 120.200 -0.631 0.000 2.081 167 E HA 0.500 4.850 4.350 -0.001 0.000 0.276 167 E C -1.513 174.689 176.600 -0.662 0.000 0.950 167 E CA -0.537 55.491 56.400 -0.620 0.000 0.776 167 E CB 0.757 30.282 29.700 -0.291 0.000 1.094 167 E HN 0.546 nan 8.360 nan 0.000 0.402 168 F N 1.933 121.643 119.950 -0.400 0.000 2.397 168 F HA 0.362 4.888 4.527 -0.001 0.000 0.331 168 F C 0.955 176.653 175.800 -0.169 0.000 1.090 168 F CA -0.793 57.039 58.000 -0.280 0.000 1.065 168 F CB 1.403 40.194 39.000 -0.349 0.000 1.184 168 F HN 0.230 nan 8.300 nan 0.000 0.499 169 T N 0.348 114.995 114.554 0.155 0.000 2.932 169 T HA 0.829 5.178 4.350 -0.001 0.000 0.289 169 T C -0.820 173.985 174.700 0.174 0.000 1.039 169 T CA -0.895 61.293 62.100 0.147 0.000 1.024 169 T CB 1.375 70.298 68.868 0.092 0.000 1.090 169 T HN 0.556 nan 8.240 nan 0.000 0.496 170 L N 1.780 123.097 121.223 0.157 0.000 2.322 170 L HA 0.598 4.937 4.340 -0.001 0.000 0.269 170 L C -2.153 174.771 176.870 0.091 0.000 1.012 170 L CA -2.715 52.200 54.840 0.126 0.000 0.815 170 L CB 2.223 44.347 42.059 0.109 0.000 1.295 170 L HN 0.556 nan 8.230 nan 0.000 0.438 171 P HA 0.144 nan 4.420 nan 0.000 0.280 171 P C -0.553 176.778 177.300 0.052 0.000 1.386 171 P CA -0.388 62.752 63.100 0.067 0.000 0.899 171 P CB 0.494 32.235 31.700 0.068 0.000 1.098 172 E N 1.819 122.051 120.200 0.054 0.000 2.864 172 E HA -0.030 4.319 4.350 -0.001 0.000 0.285 172 E C 1.318 177.937 176.600 0.032 0.000 0.965 172 E CA 1.729 58.154 56.400 0.041 0.000 0.985 172 E CB -0.087 29.660 29.700 0.078 0.000 1.000 172 E HN 0.771 nan 8.360 nan 0.000 0.475 173 G N 3.083 111.864 108.800 -0.031 0.000 4.731 173 G HA2 -0.358 3.602 3.960 -0.001 0.000 0.266 173 G HA3 -0.358 3.602 3.960 -0.001 0.000 0.266 173 G C -0.251 174.567 174.900 -0.137 0.000 1.635 173 G CA -0.060 45.051 45.100 0.019 0.000 1.229 173 G HN 0.830 nan 8.290 nan 0.000 0.663 174 N N 2.114 120.844 118.700 0.051 0.000 2.972 174 N HA -0.010 4.729 4.740 -0.001 0.000 0.295 174 N C 0.354 175.852 175.510 -0.019 0.000 1.162 174 N CA 1.363 54.455 53.050 0.070 0.000 0.895 174 N CB -1.090 37.410 38.487 0.022 0.000 1.022 174 N HN 0.701 nan 8.380 nan 0.000 0.610 175 Y N 1.027 121.301 120.300 -0.044 0.000 2.360 175 Y HA 0.171 4.721 4.550 -0.001 0.000 0.433 175 Y C 1.633 177.491 175.900 -0.072 0.000 1.305 175 Y CA 0.052 58.121 58.100 -0.052 0.000 1.980 175 Y CB -0.580 37.857 38.460 -0.039 0.000 1.700 175 Y HN 0.682 nan 8.280 nan 0.000 0.700 176 S N -0.588 115.187 115.700 0.125 0.000 3.339 176 S HA -0.188 4.282 4.470 -0.001 0.000 0.856 176 S C 0.811 175.381 174.600 -0.051 0.000 1.139 176 S CA 0.466 58.678 58.200 0.019 0.000 1.044 176 S CB -0.479 62.707 63.200 -0.023 0.000 0.721 176 S HN 0.786 nan 8.310 nan 0.000 0.267 177 E N 2.829 122.989 120.200 -0.067 0.000 2.021 177 E HA -0.079 4.270 4.350 -0.001 0.000 0.189 177 E C 1.820 178.332 176.600 -0.148 0.000 0.980 177 E CA 1.277 57.606 56.400 -0.117 0.000 0.803 177 E CB -1.047 28.583 29.700 -0.117 0.000 0.766 177 E HN 0.726 nan 8.360 nan 0.000 0.449 178 T N 1.886 116.359 114.554 -0.135 0.000 2.597 178 T HA -0.281 4.069 4.350 -0.001 0.000 0.267 178 T C 1.861 176.445 174.700 -0.194 0.000 1.053 178 T CA 2.114 64.121 62.100 -0.156 0.000 1.165 178 T CB -0.392 68.392 68.868 -0.140 0.000 0.863 178 T HN 0.217 nan 8.240 nan 0.000 0.427 179 M N 0.758 120.240 119.600 -0.196 0.000 2.202 179 M HA -0.171 4.308 4.480 -0.001 0.000 0.262 179 M C 2.116 178.283 176.300 -0.222 0.000 1.063 179 M CA 1.535 56.684 55.300 -0.252 0.000 1.097 179 M CB -0.478 32.001 32.600 -0.201 0.000 1.382 179 M HN 0.231 nan 8.290 nan 0.000 0.413 180 T N 1.066 115.510 114.554 -0.183 0.000 2.788 180 T HA -0.112 4.237 4.350 -0.001 0.000 0.268 180 T C 1.637 176.195 174.700 -0.237 0.000 1.044 180 T CA 1.569 63.556 62.100 -0.188 0.000 1.139 180 T CB -0.367 68.381 68.868 -0.201 0.000 0.867 180 T HN 0.417 nan 8.240 nan 0.000 0.454 181 I N 1.425 121.843 120.570 -0.252 0.000 2.099 181 I HA -0.218 3.951 4.170 -0.001 0.000 0.239 181 I C 2.332 178.335 176.117 -0.190 0.000 1.066 181 I CA 1.526 62.660 61.300 -0.276 0.000 1.324 181 I CB -0.518 37.363 38.000 -0.198 0.000 1.037 181 I HN 0.143 nan 8.210 nan 0.000 0.401 182 D N 1.082 121.376 120.400 -0.177 0.000 2.157 182 D HA -0.224 4.416 4.640 -0.001 0.000 0.191 182 D C 2.182 178.516 176.300 0.058 0.000 1.004 182 D CA 1.459 55.382 54.000 -0.129 0.000 0.854 182 D CB -0.515 39.968 40.800 -0.528 0.000 0.936 182 D HN 0.264 nan 8.370 nan 0.000 0.446 183 L N -0.430 120.797 121.223 0.006 0.000 2.127 183 L HA -0.170 4.170 4.340 -0.001 0.000 0.211 183 L C 2.428 179.352 176.870 0.090 0.000 1.089 183 L CA 0.901 55.818 54.840 0.128 0.000 0.757 183 L CB -0.292 41.801 42.059 0.057 0.000 0.899 183 L HN 0.106 nan 8.230 nan 0.000 0.434 184 M N -0.997 118.584 119.600 -0.031 0.000 2.081 184 M HA -0.166 4.313 4.480 -0.001 0.000 0.261 184 M C 2.129 178.502 176.300 0.122 0.000 1.075 184 M CA 1.521 56.800 55.300 -0.035 0.000 1.133 184 M CB -0.538 31.713 32.600 -0.583 0.000 1.330 184 M HN 0.218 nan 8.290 nan 0.000 0.414 185 N N 0.970 119.755 118.700 0.142 0.000 2.091 185 N HA -0.227 4.512 4.740 -0.001 0.000 0.193 185 N C 1.385 176.944 175.510 0.082 0.000 1.021 185 N CA 1.955 55.104 53.050 0.166 0.000 0.862 185 N CB -0.817 37.745 38.487 0.125 0.000 1.018 185 N HN 0.410 nan 8.380 nan 0.000 0.429 186 N N 0.803 119.571 118.700 0.113 0.000 2.149 186 N HA -0.106 4.633 4.740 -0.001 0.000 0.188 186 N C 1.524 177.068 175.510 0.057 0.000 1.019 186 N CA 1.621 54.713 53.050 0.070 0.000 0.857 186 N CB -0.209 38.344 38.487 0.110 0.000 0.997 186 N HN 0.208 nan 8.380 nan 0.000 0.426 187 A N 0.315 123.177 122.820 0.071 0.000 2.015 187 A HA -0.018 4.302 4.320 -0.001 0.000 0.219 187 A C 2.046 179.581 177.584 -0.081 0.000 1.163 187 A CA 0.842 52.914 52.037 0.059 0.000 0.646 187 A CB -0.522 18.547 19.000 0.114 0.000 0.806 187 A HN 0.360 nan 8.150 nan 0.000 0.448 188 I N -0.218 120.224 120.570 -0.213 0.000 2.179 188 I HA -0.168 4.001 4.170 -0.001 0.000 0.242 188 I C 2.527 178.680 176.117 0.060 0.000 1.088 188 I CA 1.100 62.224 61.300 -0.292 0.000 1.357 188 I CB -1.413 36.479 38.000 -0.179 0.000 1.051 188 I HN 0.141 nan 8.210 nan 0.000 0.409 189 V N 0.824 120.785 119.914 0.079 0.000 2.223 189 V HA -0.281 3.839 4.120 -0.001 0.000 0.244 189 V C 2.444 178.685 176.094 0.244 0.000 1.045 189 V CA 1.808 64.210 62.300 0.170 0.000 1.000 189 V CB -0.733 31.131 31.823 0.069 0.000 0.635 189 V HN 0.388 nan 8.190 nan 0.000 0.445 190 E N -0.910 119.388 120.200 0.165 0.000 2.253 190 E HA -0.325 4.024 4.350 -0.001 0.000 0.202 190 E C 2.153 178.872 176.600 0.198 0.000 1.014 190 E CA 1.687 58.179 56.400 0.153 0.000 0.823 190 E CB -0.227 29.547 29.700 0.123 0.000 0.736 190 E HN 0.719 nan 8.360 nan 0.000 0.478 191 H N -0.544 118.640 119.070 0.190 0.000 2.343 191 H HA -0.141 4.414 4.556 -0.001 0.000 0.303 191 H C 1.999 177.440 175.328 0.189 0.000 1.068 191 H CA 1.529 57.704 56.048 0.212 0.000 1.359 191 H CB -0.358 29.619 29.762 0.358 0.000 1.402 191 H HN 0.246 nan 8.280 nan 0.000 0.515 192 Y N 1.730 122.178 120.300 0.247 0.000 2.193 192 Y HA -0.211 4.339 4.550 -0.001 0.000 0.285 192 Y C 2.570 178.486 175.900 0.026 0.000 1.166 192 Y CA 1.566 59.754 58.100 0.147 0.000 1.181 192 Y CB -0.657 37.909 38.460 0.177 0.000 0.976 192 Y HN 0.162 nan 8.280 nan 0.000 0.520 193 L N 0.310 121.566 121.223 0.055 0.000 2.191 193 L HA -0.198 4.141 4.340 -0.001 0.000 0.212 193 L C 2.355 179.139 176.870 -0.144 0.000 1.103 193 L CA 1.855 56.656 54.840 -0.066 0.000 0.769 193 L CB -0.423 41.666 42.059 0.049 0.000 0.908 193 L HN 0.229 nan 8.230 nan 0.000 0.438 194 K N -1.230 119.075 120.400 -0.159 0.000 2.353 194 K HA 0.065 4.385 4.320 -0.001 0.000 0.195 194 K C 1.197 177.653 176.600 -0.240 0.000 1.031 194 K CA 0.185 56.367 56.287 -0.174 0.000 1.079 194 K CB 0.819 33.238 32.500 -0.135 0.000 0.857 194 K HN 0.048 nan 8.250 nan 0.000 0.535 195 V N -1.585 118.134 119.914 -0.326 0.000 3.219 195 V HA 0.103 4.222 4.120 -0.001 0.000 0.214 195 V C 1.795 177.744 176.094 -0.241 0.000 1.433 195 V CA 0.696 62.827 62.300 -0.281 0.000 1.301 195 V CB 0.197 31.808 31.823 -0.353 0.000 1.160 195 V HN 0.373 nan 8.190 nan 0.000 0.505 196 G N 2.500 111.143 108.800 -0.260 0.000 2.900 196 G HA2 -0.347 3.613 3.960 -0.001 0.000 0.212 196 G HA3 -0.347 3.613 3.960 -0.001 0.000 0.212 196 G C 1.467 176.129 174.900 -0.397 0.000 1.359 196 G CA 2.022 46.979 45.100 -0.238 0.000 0.800 196 G HN 0.611 nan 8.290 nan 0.000 0.680 197 R N 0.041 120.004 120.500 -0.895 0.000 2.133 197 R HA -0.207 4.132 4.340 -0.001 0.000 0.245 197 R C 1.945 178.107 176.300 -0.230 0.000 1.137 197 R CA 2.023 57.845 56.100 -0.463 0.000 0.947 197 R CB -0.900 29.115 30.300 -0.475 0.000 0.865 197 R HN 0.444 nan 8.270 nan 0.000 0.437 198 Q N 0.886 120.546 119.800 -0.232 0.000 2.336 198 Q HA 0.082 4.422 4.340 -0.001 0.000 0.231 198 Q C -0.539 175.394 176.000 -0.111 0.000 0.900 198 Q CA 0.438 56.155 55.803 -0.143 0.000 0.966 198 Q CB 0.093 28.752 28.738 -0.133 0.000 1.219 198 Q HN 0.444 nan 8.270 nan 0.000 0.412 199 N N -1.349 117.290 118.700 -0.101 0.000 2.278 199 N HA 0.150 4.889 4.740 -0.001 0.000 0.239 199 N C -0.128 175.348 175.510 -0.057 0.000 1.411 199 N CA 0.530 53.537 53.050 -0.072 0.000 0.908 199 N CB 1.081 39.524 38.487 -0.073 0.000 1.307 199 N HN 0.295 nan 8.380 nan 0.000 0.522 200 G N 0.153 108.923 108.800 -0.050 0.000 3.299 200 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.251 200 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.251 200 G C -0.130 174.772 174.900 0.004 0.000 1.741 200 G CA -0.281 44.803 45.100 -0.028 0.000 1.151 200 G HN 0.939 nan 8.290 nan 0.000 0.561 201 V N 3.021 122.945 119.914 0.016 0.000 3.383 201 V HA -0.084 4.035 4.120 -0.001 0.000 0.276 201 V C 1.060 177.274 176.094 0.199 0.000 1.512 201 V CA 1.861 64.212 62.300 0.085 0.000 1.498 201 V CB -0.888 31.005 31.823 0.117 0.000 0.827 201 V HN 0.996 nan 8.190 nan 0.000 0.372 202 L N 5.466 126.760 121.223 0.117 0.000 2.490 202 L HA 0.470 4.809 4.340 -0.001 0.000 0.245 202 L C 1.444 178.328 176.870 0.024 0.000 1.185 202 L CA -0.487 54.415 54.840 0.103 0.000 0.813 202 L CB 0.021 42.093 42.059 0.021 0.000 1.233 202 L HN 0.581 nan 8.230 nan 0.000 0.489 203 E N 0.054 120.190 120.200 -0.108 0.000 2.072 203 E HA -0.117 4.232 4.350 -0.001 0.000 0.190 203 E C 2.106 178.590 176.600 -0.193 0.000 0.982 203 E CA 1.158 57.346 56.400 -0.353 0.000 0.803 203 E CB -0.047 29.317 29.700 -0.561 0.000 0.755 203 E HN 0.627 nan 8.360 nan 0.000 0.453 204 S N 1.667 117.306 115.700 -0.102 0.000 2.413 204 S HA -0.167 4.302 4.470 -0.001 0.000 0.237 204 S C 1.065 175.681 174.600 0.026 0.000 1.044 204 S CA 1.678 59.870 58.200 -0.012 0.000 1.024 204 S CB -0.309 62.888 63.200 -0.005 0.000 0.829 204 S HN 0.424 nan 8.310 nan 0.000 0.475 205 D N 0.131 120.535 120.400 0.006 0.000 3.008 205 D HA 0.202 4.841 4.640 -0.001 0.000 0.312 205 D C -0.382 175.944 176.300 0.044 0.000 1.361 205 D CA -0.284 53.738 54.000 0.036 0.000 0.858 205 D CB -0.603 40.205 40.800 0.013 0.000 1.098 205 D HN 0.266 nan 8.370 nan 0.000 0.482 206 I N 1.065 121.652 120.570 0.027 0.000 2.379 206 I HA 0.276 4.446 4.170 -0.001 0.000 0.290 206 I C 1.097 177.240 176.117 0.043 0.000 1.063 206 I CA -0.450 60.846 61.300 -0.007 0.000 1.351 206 I CB 1.294 39.258 38.000 -0.060 0.000 1.410 206 I HN 0.103 nan 8.210 nan 0.000 0.505 207 G N 4.911 113.746 108.800 0.058 0.000 2.353 207 G HA2 0.484 4.443 3.960 -0.001 0.000 0.284 207 G HA3 0.484 4.443 3.960 -0.001 0.000 0.284 207 G C -0.372 174.503 174.900 -0.042 0.000 1.172 207 G CA -0.259 44.863 45.100 0.036 0.000 0.854 207 G HN 0.523 nan 8.290 nan 0.000 0.485 208 V N 1.201 121.048 119.914 -0.110 0.000 3.284 208 V HA -0.116 4.004 4.120 -0.001 0.000 0.470 208 V C -0.191 175.719 176.094 -0.306 0.000 0.682 208 V CA 0.700 62.868 62.300 -0.220 0.000 2.009 208 V CB -0.944 30.770 31.823 -0.182 0.000 2.467 208 V HN 1.170 nan 8.190 nan 0.000 0.498 209 K N 5.461 125.611 120.400 -0.417 0.000 2.550 209 K HA 0.588 4.907 4.320 -0.001 0.000 0.252 209 K C -1.285 175.082 176.600 -0.387 0.000 0.943 209 K CA -0.748 55.328 56.287 -0.350 0.000 0.806 209 K CB 1.397 33.764 32.500 -0.220 0.000 1.289 209 K HN 0.338 nan 8.250 nan 0.000 0.435 210 F N 2.968 122.882 119.950 -0.060 0.000 2.420 210 F HA 0.292 4.818 4.527 -0.001 0.000 0.352 210 F C 0.982 176.754 175.800 -0.047 0.000 1.108 210 F CA -0.130 57.836 58.000 -0.056 0.000 1.162 210 F CB 0.814 39.754 39.000 -0.099 0.000 1.118 210 F HN 0.462 nan 8.300 nan 0.000 0.510 211 D N 0.489 120.970 120.400 0.134 0.000 2.758 211 D HA 0.411 5.050 4.640 -0.001 0.000 0.262 211 D C -0.135 176.201 176.300 0.059 0.000 1.113 211 D CA -0.277 53.783 54.000 0.101 0.000 1.114 211 D CB 2.317 43.235 40.800 0.197 0.000 1.363 211 D HN 0.524 nan 8.370 nan 0.000 0.617 212 T N -2.031 112.521 114.554 -0.005 0.000 3.855 212 T HA 0.279 4.628 4.350 -0.001 0.000 0.313 212 T C -0.010 174.608 174.700 -0.136 0.000 0.938 212 T CA -0.624 61.439 62.100 -0.063 0.000 1.011 212 T CB -0.023 68.800 68.868 -0.075 0.000 1.188 212 T HN 0.544 nan 8.240 nan 0.000 0.477 213 R N 0.112 120.462 120.500 -0.250 0.000 2.888 213 R HA 0.541 4.881 4.340 -0.001 0.000 0.264 213 R C -0.926 175.044 176.300 -0.550 0.000 1.045 213 R CA -1.016 54.812 56.100 -0.454 0.000 0.962 213 R CB 0.904 30.857 30.300 -0.578 0.000 1.210 213 R HN 0.127 nan 8.270 nan 0.000 0.479 214 N N 1.123 119.446 118.700 -0.627 0.000 3.034 214 N HA 0.139 4.879 4.740 -0.001 0.000 0.265 214 N C -1.016 174.304 175.510 -0.317 0.000 1.166 214 N CA -0.528 52.302 53.050 -0.366 0.000 1.081 214 N CB 0.122 38.361 38.487 -0.413 0.000 1.378 214 N HN 0.342 nan 8.380 nan 0.000 0.520 215 F N 2.274 122.102 119.950 -0.204 0.000 2.616 215 F HA 0.035 4.561 4.527 -0.001 0.000 0.331 215 F C 1.550 177.241 175.800 -0.181 0.000 1.309 215 F CA 0.110 57.954 58.000 -0.259 0.000 1.068 215 F CB 0.016 38.714 39.000 -0.504 0.000 1.464 215 F HN 0.569 nan 8.300 nan 0.000 0.667 216 R N 0.717 121.225 120.500 0.013 0.000 2.475 216 R HA 0.055 4.394 4.340 -0.001 0.000 0.050 216 R C 0.559 176.853 176.300 -0.010 0.000 0.505 216 R CA 0.085 56.139 56.100 -0.077 0.000 0.784 216 R CB -0.794 29.215 30.300 -0.486 0.000 0.896 216 R HN 0.555 nan 8.270 nan 0.000 0.567 217 L N -0.772 120.455 121.223 0.007 0.000 2.044 217 L HA 0.139 4.478 4.340 -0.001 0.000 0.205 217 L C 2.258 179.188 176.870 0.100 0.000 1.075 217 L CA 1.837 56.694 54.840 0.027 0.000 0.747 217 L CB -0.363 41.663 42.059 -0.054 0.000 0.903 217 L HN 0.430 nan 8.230 nan 0.000 0.435 218 G N -0.132 108.737 108.800 0.115 0.000 2.418 218 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.217 218 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.217 218 G C 0.638 175.623 174.900 0.141 0.000 1.158 218 G CA -0.220 44.941 45.100 0.102 0.000 0.771 218 G HN 0.181 nan 8.290 nan 0.000 0.545 219 F N 1.802 121.777 119.950 0.041 0.000 2.295 219 F HA -0.107 4.420 4.527 -0.001 0.000 0.410 219 F C 0.261 176.084 175.800 0.038 0.000 0.891 219 F CA 0.408 58.437 58.000 0.048 0.000 1.125 219 F CB 0.434 39.458 39.000 0.040 0.000 0.860 219 F HN 0.087 nan 8.300 nan 0.000 0.551 220 D N 8.744 128.773 120.400 -0.617 0.000 2.425 220 D HA 0.224 4.864 4.640 -0.001 0.000 0.240 220 D C -1.678 174.250 176.300 -0.620 0.000 1.080 220 D CA -1.772 51.983 54.000 -0.408 0.000 0.836 220 D CB 1.951 42.579 40.800 -0.286 0.000 1.125 220 D HN 0.240 nan 8.370 nan 0.000 0.525 221 P HA -0.139 nan 4.420 nan 0.000 0.222 221 P C 1.169 178.432 177.300 -0.063 0.000 1.142 221 P CA 0.681 63.787 63.100 0.010 0.000 0.788 221 P CB 0.713 32.492 31.700 0.132 0.000 0.767 222 V N -0.500 119.335 119.914 -0.131 0.000 2.599 222 V HA -0.069 4.051 4.120 -0.001 0.000 0.237 222 V C 2.617 178.628 176.094 -0.139 0.000 1.081 222 V CA 1.905 64.148 62.300 -0.095 0.000 1.107 222 V CB -1.715 30.069 31.823 -0.066 0.000 0.808 222 V HN 0.041 nan 8.190 nan 0.000 0.486 223 T N 0.550 114.991 114.554 -0.189 0.000 2.699 223 T HA -0.085 4.264 4.350 -0.001 0.000 0.268 223 T C 1.544 176.115 174.700 -0.215 0.000 1.036 223 T CA 2.039 64.026 62.100 -0.190 0.000 1.147 223 T CB -0.673 68.063 68.868 -0.219 0.000 0.862 223 T HN 0.981 nan 8.240 nan 0.000 0.446 224 G N 0.569 109.147 108.800 -0.370 0.000 2.136 224 G HA2 -0.199 3.761 3.960 -0.001 0.000 0.242 224 G HA3 -0.199 3.761 3.960 -0.001 0.000 0.242 224 G C -0.070 174.720 174.900 -0.183 0.000 0.989 224 G CA 0.052 44.981 45.100 -0.285 0.000 0.682 224 G HN 0.525 nan 8.290 nan 0.000 0.522 225 L N -0.733 120.305 121.223 -0.308 0.000 2.359 225 L HA 0.572 4.912 4.340 -0.001 0.000 0.256 225 L C 0.526 177.338 176.870 -0.097 0.000 1.026 225 L CA -1.434 53.352 54.840 -0.090 0.000 0.828 225 L CB 2.251 44.271 42.059 -0.066 0.000 1.406 225 L HN -0.148 nan 8.230 nan 0.000 0.413 226 V N 2.779 122.723 119.914 0.051 0.000 2.149 226 V HA -0.012 4.107 4.120 -0.001 0.000 0.245 226 V C 1.473 177.538 176.094 -0.050 0.000 1.349 226 V CA -0.252 62.080 62.300 0.054 0.000 1.289 226 V CB 0.082 31.959 31.823 0.091 0.000 1.401 226 V HN 0.717 nan 8.190 nan 0.000 0.501 227 M N 3.571 123.116 119.600 -0.092 0.000 2.186 227 M HA -0.209 4.270 4.480 -0.001 0.000 0.249 227 M C 0.013 176.244 176.300 -0.115 0.000 1.081 227 M CA 2.277 57.495 55.300 -0.138 0.000 1.072 227 M CB -2.437 30.073 32.600 -0.150 0.000 1.318 227 M HN 0.367 nan 8.290 nan 0.000 0.405 228 P HA -0.033 nan 4.420 nan 0.000 0.222 228 P C 0.911 178.177 177.300 -0.057 0.000 1.142 228 P CA 2.121 65.192 63.100 -0.050 0.000 0.788 228 P CB -0.157 31.529 31.700 -0.024 0.000 0.767 229 G N -2.449 106.301 108.800 -0.085 0.000 2.162 229 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.260 229 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.260 229 G C 0.075 174.913 174.900 -0.105 0.000 0.976 229 G CA 0.047 45.096 45.100 -0.084 0.000 0.655 229 G HN 0.385 nan 8.290 nan 0.000 0.533 230 V N -0.301 119.534 119.914 -0.132 0.000 2.851 230 V HA 0.438 4.557 4.120 -0.001 0.000 0.307 230 V C -0.441 175.572 176.094 -0.136 0.000 1.129 230 V CA -1.382 60.844 62.300 -0.123 0.000 0.932 230 V CB 1.815 33.627 31.823 -0.019 0.000 1.024 230 V HN 0.248 nan 8.190 nan 0.000 0.426 231 Y N 1.966 122.311 120.300 0.075 0.000 2.637 231 Y HA 0.136 4.686 4.550 -0.001 0.000 0.350 231 Y C 1.452 177.304 175.900 -0.079 0.000 1.069 231 Y CA 0.257 58.364 58.100 0.012 0.000 1.397 231 Y CB 0.923 39.410 38.460 0.047 0.000 1.163 231 Y HN 0.698 nan 8.280 nan 0.000 0.527 232 T N 3.688 118.272 114.554 0.051 0.000 2.609 232 T HA -0.197 4.152 4.350 -0.001 0.000 0.257 232 T C 0.880 175.542 174.700 -0.064 0.000 1.032 232 T CA -0.060 62.034 62.100 -0.011 0.000 1.244 232 T CB -0.445 68.408 68.868 -0.025 0.000 1.003 232 T HN 0.604 nan 8.240 nan 0.000 0.507 233 N N 4.964 123.652 118.700 -0.019 0.000 2.938 233 N HA 0.036 4.775 4.740 -0.001 0.000 0.286 233 N C -0.072 175.434 175.510 -0.007 0.000 1.316 233 N CA 0.248 53.284 53.050 -0.024 0.000 1.063 233 N CB -0.151 38.347 38.487 0.017 0.000 1.388 233 N HN 0.738 nan 8.380 nan 0.000 0.545 234 E N -0.740 119.450 120.200 -0.017 0.000 2.212 234 E HA 0.595 4.944 4.350 -0.001 0.000 0.268 234 E C -1.077 175.614 176.600 0.151 0.000 0.902 234 E CA -1.030 55.436 56.400 0.111 0.000 0.779 234 E CB 1.471 31.334 29.700 0.272 0.000 1.172 234 E HN 0.293 nan 8.360 nan 0.000 0.409 235 A N 3.167 126.105 122.820 0.196 0.000 2.320 235 A HA 0.367 4.687 4.320 -0.001 0.000 0.287 235 A C -0.633 177.182 177.584 0.385 0.000 1.181 235 A CA -0.072 52.073 52.037 0.181 0.000 0.831 235 A CB 0.000 19.019 19.000 0.032 0.000 1.102 235 A HN 0.619 nan 8.150 nan 0.000 0.513 236 F N -0.002 119.854 119.950 -0.156 0.000 2.577 236 F HA 0.278 4.804 4.527 -0.001 0.000 0.276 236 F C 0.766 176.520 175.800 -0.076 0.000 1.032 236 F CA 0.968 58.888 58.000 -0.133 0.000 1.297 236 F CB -0.105 38.769 39.000 -0.209 0.000 1.061 236 F HN 0.763 nan 8.300 nan 0.000 0.680 237 H N -1.676 117.337 119.070 -0.095 0.000 3.081 237 H HA 0.359 4.914 4.556 -0.001 0.000 0.322 237 H C -3.063 172.225 175.328 -0.067 0.000 1.266 237 H CA -1.626 54.373 56.048 -0.082 0.000 1.279 237 H CB 1.919 31.662 29.762 -0.031 0.000 1.954 237 H HN -0.291 nan 8.280 nan 0.000 0.530 238 P HA 0.201 nan 4.420 nan 0.000 0.271 238 P C -1.110 176.214 177.300 0.041 0.000 1.218 238 P CA 0.146 63.087 63.100 -0.264 0.000 0.780 238 P CB 0.677 32.156 31.700 -0.368 0.000 0.901 239 D N 1.384 121.880 120.400 0.161 0.000 2.615 239 D HA 0.349 4.989 4.640 -0.001 0.000 0.267 239 D C -1.173 175.263 176.300 0.227 0.000 1.236 239 D CA -0.642 53.568 54.000 0.350 0.000 0.839 239 D CB 1.252 42.407 40.800 0.592 0.000 1.380 239 D HN 0.279 nan 8.370 nan 0.000 0.433 240 I N -1.783 118.914 120.570 0.211 0.000 2.465 240 I HA 0.598 4.768 4.170 -0.001 0.000 0.291 240 I C -0.856 175.270 176.117 0.015 0.000 1.014 240 I CA -1.139 60.177 61.300 0.026 0.000 1.093 240 I CB 1.692 39.669 38.000 -0.037 0.000 1.267 240 I HN 0.271 nan 8.210 nan 0.000 0.431 241 I N 6.379 126.872 120.570 -0.128 0.000 2.437 241 I HA 0.512 4.681 4.170 -0.001 0.000 0.298 241 I C -0.395 175.634 176.117 -0.146 0.000 0.984 241 I CA -0.682 60.525 61.300 -0.154 0.000 1.214 241 I CB 1.833 39.636 38.000 -0.329 0.000 1.365 241 I HN 0.478 nan 8.210 nan 0.000 0.469 242 L N 5.888 127.107 121.223 -0.006 0.000 2.371 242 L HA 0.587 4.926 4.340 -0.001 0.000 0.262 242 L C -0.671 176.336 176.870 0.228 0.000 1.006 242 L CA -0.742 54.154 54.840 0.094 0.000 0.818 242 L CB 2.412 44.600 42.059 0.216 0.000 1.354 242 L HN 0.439 nan 8.230 nan 0.000 0.415 243 L N 1.522 122.780 121.223 0.059 0.000 2.358 243 L HA 0.537 4.876 4.340 -0.001 0.000 0.268 243 L C -2.169 174.224 176.870 -0.795 0.000 1.032 243 L CA -1.822 52.968 54.840 -0.083 0.000 0.805 243 L CB 2.151 44.238 42.059 0.048 0.000 1.253 243 L HN 0.267 nan 8.230 nan 0.000 0.452 244 P HA -0.007 nan 4.420 nan 0.000 0.267 244 P C 0.561 177.339 177.300 -0.869 0.000 1.201 244 P CA 0.899 63.118 63.100 -1.467 0.000 0.775 244 P CB 0.445 31.789 31.700 -0.593 0.000 0.854 245 G N -0.055 108.308 108.800 -0.728 0.000 2.322 245 G HA2 -0.344 3.615 3.960 -0.001 0.000 0.264 245 G HA3 -0.344 3.615 3.960 -0.001 0.000 0.264 245 G C 0.531 174.889 174.900 -0.904 0.000 0.992 245 G CA 0.659 45.246 45.100 -0.855 0.000 0.624 245 G HN 0.849 nan 8.290 nan 0.000 0.543 246 C N -1.613 117.309 119.300 -0.631 0.000 2.651 246 C HA 1.109 5.569 4.460 -0.001 0.000 0.416 246 C C 1.072 175.935 174.990 -0.213 0.000 1.818 246 C CA 0.012 58.775 59.018 -0.424 0.000 1.790 246 C CB 1.255 28.856 27.740 -0.231 0.000 2.048 246 C HN 2.247 nan 8.230 nan 0.000 0.470 247 G N -1.370 107.319 108.800 -0.184 0.000 2.324 247 G HA2 0.580 4.540 3.960 -0.001 0.000 0.293 247 G HA3 0.580 4.540 3.960 -0.001 0.000 0.293 247 G C -1.261 173.681 174.900 0.069 0.000 1.297 247 G CA 0.191 45.285 45.100 -0.011 0.000 0.853 247 G HN 2.187 nan 8.290 nan 0.000 0.535 248 V N -2.290 117.761 119.914 0.228 0.000 3.001 248 V HA 0.930 5.049 4.120 -0.001 0.000 0.314 248 V C -1.303 174.972 176.094 0.301 0.000 1.099 248 V CA -0.683 61.787 62.300 0.282 0.000 0.989 248 V CB 2.198 34.111 31.823 0.150 0.000 1.040 248 V HN 1.053 nan 8.190 nan 0.000 0.434 249 D N 1.128 121.580 120.400 0.086 0.000 2.863 249 D HA 0.448 5.087 4.640 -0.001 0.000 0.245 249 D C -0.932 175.187 176.300 -0.301 0.000 1.211 249 D CA -0.407 53.571 54.000 -0.036 0.000 0.888 249 D CB 2.052 42.729 40.800 -0.204 0.000 1.483 249 D HN 0.481 nan 8.370 nan 0.000 0.533 250 F N 1.428 121.376 119.950 -0.003 0.000 2.682 250 F HA 0.099 4.626 4.527 -0.001 0.000 0.308 250 F C 2.323 178.093 175.800 -0.051 0.000 1.093 250 F CA -0.229 57.730 58.000 -0.067 0.000 1.244 250 F CB 0.535 39.349 39.000 -0.311 0.000 1.052 250 F HN 0.322 nan 8.300 nan 0.000 0.573 251 T N -0.849 113.742 114.554 0.061 0.000 2.771 251 T HA -0.282 4.067 4.350 -0.001 0.000 0.262 251 T C 0.731 175.291 174.700 -0.233 0.000 1.027 251 T CA 1.845 63.871 62.100 -0.122 0.000 1.159 251 T CB -0.438 68.210 68.868 -0.368 0.000 0.844 251 T HN 0.283 nan 8.240 nan 0.000 0.478 252 H N 0.032 119.091 119.070 -0.018 0.000 2.429 252 H HA 0.661 5.216 4.556 -0.001 0.000 0.237 252 H C -0.331 174.936 175.328 -0.102 0.000 1.378 252 H CA -0.288 55.683 56.048 -0.129 0.000 1.170 252 H CB 0.340 29.952 29.762 -0.249 0.000 1.671 252 H HN 0.194 nan 8.280 nan 0.000 0.541 253 S N 0.282 116.067 115.700 0.141 0.000 2.556 253 S HA 0.283 4.752 4.470 -0.001 0.000 0.280 253 S C 0.351 175.040 174.600 0.149 0.000 1.141 253 S CA -0.729 57.578 58.200 0.179 0.000 0.883 253 S CB 1.262 64.624 63.200 0.269 0.000 1.103 253 S HN 0.466 nan 8.310 nan 0.000 0.453 254 R N 2.677 123.243 120.500 0.110 0.000 2.297 254 R HA 0.284 4.624 4.340 -0.001 0.000 0.197 254 R C 1.551 177.795 176.300 -0.093 0.000 0.943 254 R CA 0.286 56.393 56.100 0.011 0.000 1.038 254 R CB -0.225 30.084 30.300 0.015 0.000 0.957 254 R HN 0.624 nan 8.270 nan 0.000 0.484 255 L N 0.494 121.678 121.223 -0.066 0.000 2.189 255 L HA -0.264 4.075 4.340 -0.001 0.000 0.214 255 L C 2.584 179.182 176.870 -0.452 0.000 1.097 255 L CA 1.384 56.110 54.840 -0.191 0.000 0.764 255 L CB -0.578 41.419 42.059 -0.103 0.000 0.900 255 L HN 0.259 nan 8.230 nan 0.000 0.436 256 S N 0.653 115.943 115.700 -0.683 0.000 2.368 256 S HA -0.289 4.180 4.470 -0.001 0.000 0.226 256 S C 1.887 176.120 174.600 -0.611 0.000 1.044 256 S CA 2.016 59.536 58.200 -1.133 0.000 1.062 256 S CB -0.374 62.197 63.200 -1.048 0.000 0.931 256 S HN 0.491 nan 8.310 nan 0.000 0.440 257 N N 1.089 119.574 118.700 -0.358 0.000 2.348 257 N HA -0.087 4.652 4.740 -0.001 0.000 0.185 257 N C 1.596 176.971 175.510 -0.225 0.000 1.019 257 N CA 1.212 54.126 53.050 -0.226 0.000 0.880 257 N CB -0.524 37.881 38.487 -0.137 0.000 0.965 257 N HN 0.465 nan 8.380 nan 0.000 0.437 258 L N 0.844 121.904 121.223 -0.273 0.000 2.131 258 L HA 0.053 4.392 4.340 -0.001 0.000 0.206 258 L C 1.957 178.654 176.870 -0.288 0.000 1.087 258 L CA 1.074 55.765 54.840 -0.248 0.000 0.767 258 L CB -0.282 41.623 42.059 -0.256 0.000 0.917 258 L HN 0.055 nan 8.230 nan 0.000 0.441 259 L N -0.196 120.801 121.223 -0.377 0.000 2.291 259 L HA 0.124 4.463 4.340 -0.001 0.000 0.214 259 L C 1.362 178.032 176.870 -0.333 0.000 1.120 259 L CA 0.688 55.297 54.840 -0.386 0.000 0.799 259 L CB -0.855 40.936 42.059 -0.447 0.000 0.925 259 L HN 0.552 nan 8.230 nan 0.000 0.446 260 G N 1.229 109.878 108.800 -0.252 0.000 2.248 260 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.252 260 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.252 260 G C -0.146 174.717 174.900 -0.063 0.000 1.085 260 G CA -0.303 44.749 45.100 -0.079 0.000 0.845 260 G HN 0.279 nan 8.290 nan 0.000 0.494 261 I N 0.230 120.643 120.570 -0.261 0.000 2.468 261 I HA 0.485 4.654 4.170 -0.001 0.000 0.284 261 I C 0.352 176.407 176.117 -0.105 0.000 1.038 261 I CA -0.785 60.307 61.300 -0.346 0.000 1.083 261 I CB 1.480 39.022 38.000 -0.764 0.000 1.223 261 I HN 0.109 nan 8.210 nan 0.000 0.443 262 R N 4.486 124.994 120.500 0.013 0.000 2.888 262 R HA 0.589 4.928 4.340 -0.001 0.000 0.266 262 R C -0.818 175.458 176.300 -0.040 0.000 1.020 262 R CA -1.194 54.969 56.100 0.105 0.000 0.963 262 R CB 2.399 32.711 30.300 0.020 0.000 1.197 262 R HN 0.398 nan 8.270 nan 0.000 0.481 263 K N 1.256 121.547 120.400 -0.182 0.000 2.270 263 K HA 0.166 4.485 4.320 -0.001 0.000 0.276 263 K C 0.761 177.310 176.600 -0.086 0.000 1.023 263 K CA -0.126 56.007 56.287 -0.258 0.000 0.955 263 K CB 1.011 33.328 32.500 -0.305 0.000 0.975 263 K HN 0.360 nan 8.250 nan 0.000 0.471 264 R N 1.310 121.802 120.500 -0.012 0.000 2.323 264 R HA -0.062 4.278 4.340 -0.001 0.000 0.198 264 R C 0.154 176.471 176.300 0.027 0.000 0.988 264 R CA 0.904 57.020 56.100 0.026 0.000 1.041 264 R CB 0.209 30.550 30.300 0.068 0.000 0.926 264 R HN 0.509 nan 8.270 nan 0.000 0.476 265 Q N -0.991 118.817 119.800 0.013 0.000 3.394 265 Q HA 0.156 4.495 4.340 -0.001 0.000 0.285 265 Q C -2.280 173.691 176.000 -0.048 0.000 0.866 265 Q CA -1.508 54.309 55.803 0.023 0.000 0.844 265 Q CB 1.691 30.472 28.738 0.073 0.000 1.472 265 Q HN -0.029 nan 8.270 nan 0.000 0.401 266 P HA -0.245 nan 4.420 nan 0.000 0.221 266 P C 0.581 177.687 177.300 -0.324 0.000 1.160 266 P CA 1.726 64.611 63.100 -0.358 0.000 0.933 266 P CB 0.052 31.355 31.700 -0.662 0.000 0.793 267 F N -1.066 118.905 119.950 0.035 0.000 2.494 267 F HA -0.110 4.416 4.527 -0.001 0.000 0.298 267 F C 1.309 177.126 175.800 0.028 0.000 1.106 267 F CA 0.651 58.671 58.000 0.035 0.000 1.452 267 F CB -1.224 37.795 39.000 0.031 0.000 1.085 267 F HN -0.015 nan 8.300 nan 0.000 0.569 268 Q N 2.420 122.298 119.800 0.130 0.000 2.837 268 Q HA 0.041 4.380 4.340 -0.001 0.000 0.235 268 Q C 0.007 176.037 176.000 0.050 0.000 1.348 268 Q CA -0.266 55.586 55.803 0.082 0.000 0.990 268 Q CB -0.523 28.243 28.738 0.047 0.000 1.570 268 Q HN 0.482 nan 8.270 nan 0.000 0.575 269 E N 0.585 120.825 120.200 0.067 0.000 3.025 269 E HA -0.004 4.346 4.350 -0.001 0.000 0.248 269 E C 0.186 176.799 176.600 0.023 0.000 0.938 269 E CA 0.492 56.922 56.400 0.050 0.000 0.958 269 E CB -0.083 29.649 29.700 0.054 0.000 0.898 269 E HN 0.612 nan 8.360 nan 0.000 0.537 270 G N 4.062 112.885 108.800 0.038 0.000 2.823 270 G HA2 -0.049 3.911 3.960 -0.001 0.000 0.235 270 G HA3 -0.049 3.911 3.960 -0.001 0.000 0.235 270 G C -0.980 174.003 174.900 0.139 0.000 3.696 270 G CA -0.927 44.197 45.100 0.039 0.000 0.652 270 G HN 0.539 nan 8.290 nan 0.000 0.431 271 F N 2.665 122.658 119.950 0.072 0.000 2.377 271 F HA 0.578 5.105 4.527 -0.001 0.000 0.360 271 F C 0.810 176.731 175.800 0.202 0.000 1.147 271 F CA -0.669 57.439 58.000 0.180 0.000 1.170 271 F CB 0.394 39.500 39.000 0.176 0.000 1.339 271 F HN 0.083 nan 8.300 nan 0.000 0.552 272 R N 6.202 127.040 120.500 0.563 0.000 2.451 272 R HA 0.445 4.785 4.340 -0.001 0.000 0.307 272 R C -1.185 175.456 176.300 0.569 0.000 0.965 272 R CA -0.803 55.561 56.100 0.440 0.000 0.865 272 R CB 2.320 32.765 30.300 0.240 0.000 1.174 272 R HN 0.636 nan 8.270 nan 0.000 0.455 273 I N 3.174 124.070 120.570 0.543 0.000 2.428 273 I HA 0.209 4.378 4.170 -0.001 0.000 0.279 273 I C -0.407 175.939 176.117 0.381 0.000 1.040 273 I CA -0.107 61.503 61.300 0.516 0.000 1.171 273 I CB 1.401 39.685 38.000 0.474 0.000 1.312 273 I HN 0.520 nan 8.210 nan 0.000 0.470 274 T N 5.470 120.230 114.554 0.344 0.000 2.828 274 T HA 0.010 4.360 4.350 -0.001 0.000 0.290 274 T C 0.686 175.522 174.700 0.227 0.000 1.019 274 T CA 0.057 62.309 62.100 0.253 0.000 1.031 274 T CB 0.976 69.970 68.868 0.210 0.000 1.001 274 T HN 0.550 nan 8.240 nan 0.000 0.531 275 Y N 1.296 121.625 120.300 0.048 0.000 2.145 275 Y HA -0.196 4.353 4.550 -0.001 0.000 0.286 275 Y C 2.296 178.230 175.900 0.056 0.000 1.145 275 Y CA 1.822 59.939 58.100 0.029 0.000 1.148 275 Y CB -0.294 38.141 38.460 -0.042 0.000 0.981 275 Y HN 0.732 nan 8.280 nan 0.000 0.507 276 D N 0.119 120.589 120.400 0.116 0.000 2.203 276 D HA -0.214 4.425 4.640 -0.001 0.000 0.199 276 D C 1.449 177.751 176.300 0.004 0.000 0.997 276 D CA 1.743 55.758 54.000 0.026 0.000 0.863 276 D CB -0.106 40.748 40.800 0.090 0.000 0.928 276 D HN 0.551 nan 8.370 nan 0.000 0.458 277 D N 0.217 120.673 120.400 0.094 0.000 2.117 277 D HA -0.071 4.569 4.640 -0.001 0.000 0.198 277 D C 1.257 177.634 176.300 0.129 0.000 0.982 277 D CA 0.232 54.340 54.000 0.180 0.000 0.828 277 D CB -0.045 40.977 40.800 0.369 0.000 0.967 277 D HN 0.295 nan 8.370 nan 0.000 0.464 278 L N 2.236 123.491 121.223 0.053 0.000 2.869 278 L HA 0.033 4.372 4.340 -0.001 0.000 0.240 278 L C 0.972 177.767 176.870 -0.125 0.000 1.448 278 L CA -0.241 54.593 54.840 -0.010 0.000 1.158 278 L CB -0.826 41.214 42.059 -0.032 0.000 1.497 278 L HN -0.047 nan 8.230 nan 0.000 0.447 279 E N 1.000 121.157 120.200 -0.072 0.000 2.683 279 E HA 0.136 4.485 4.350 -0.001 0.000 0.266 279 E C 0.895 177.429 176.600 -0.111 0.000 1.434 279 E CA 0.525 56.869 56.400 -0.093 0.000 1.137 279 E CB 0.332 30.010 29.700 -0.036 0.000 0.992 279 E HN 0.416 nan 8.360 nan 0.000 0.607 280 G N -0.571 108.173 108.800 -0.094 0.000 2.903 280 G HA2 0.102 4.062 3.960 -0.001 0.000 0.332 280 G HA3 0.102 4.062 3.960 -0.001 0.000 0.332 280 G C 0.512 175.311 174.900 -0.168 0.000 0.190 280 G CA 0.699 45.732 45.100 -0.112 0.000 1.231 280 G HN 1.084 nan 8.290 nan 0.000 0.363 281 G N 2.110 110.753 108.800 -0.261 0.000 2.678 281 G HA2 -0.078 3.881 3.960 -0.001 0.000 0.175 281 G HA3 -0.078 3.881 3.960 -0.001 0.000 0.175 281 G C -0.315 174.407 174.900 -0.297 0.000 1.078 281 G CA -0.203 44.723 45.100 -0.290 0.000 0.864 281 G HN 0.970 nan 8.290 nan 0.000 0.521 282 N N 0.888 119.344 118.700 -0.407 0.000 2.430 282 N HA 0.419 5.159 4.740 -0.001 0.000 0.292 282 N C 0.836 176.147 175.510 -0.332 0.000 1.051 282 N CA -0.582 52.295 53.050 -0.287 0.000 0.917 282 N CB 1.726 40.082 38.487 -0.220 0.000 1.164 282 N HN 0.317 nan 8.380 nan 0.000 0.484 283 I N 2.570 123.006 120.570 -0.224 0.000 2.919 283 I HA -0.076 4.093 4.170 -0.001 0.000 0.299 283 I C -1.806 174.299 176.117 -0.020 0.000 1.221 283 I CA -0.699 60.474 61.300 -0.212 0.000 1.424 283 I CB -0.258 37.494 38.000 -0.414 0.000 1.358 283 I HN 0.186 nan 8.210 nan 0.000 0.551 284 P HA 0.095 nan 4.420 nan 0.000 0.272 284 P C -0.556 177.029 177.300 0.475 0.000 1.254 284 P CA -0.223 63.117 63.100 0.399 0.000 0.795 284 P CB 0.602 32.632 31.700 0.550 0.000 1.022 285 A N 0.433 123.518 122.820 0.441 0.000 2.269 285 A HA 0.617 4.937 4.320 -0.001 0.000 0.327 285 A C -0.531 177.189 177.584 0.226 0.000 1.112 285 A CA -0.725 51.530 52.037 0.363 0.000 0.865 285 A CB 0.094 19.256 19.000 0.270 0.000 1.227 285 A HN 0.435 nan 8.150 nan 0.000 0.498 286 L N 0.766 122.068 121.223 0.131 0.000 2.334 286 L HA 0.349 4.689 4.340 -0.001 0.000 0.277 286 L C -0.008 176.854 176.870 -0.013 0.000 1.075 286 L CA -0.688 54.138 54.840 -0.023 0.000 0.804 286 L CB 0.997 43.011 42.059 -0.074 0.000 1.174 286 L HN 0.696 nan 8.230 nan 0.000 0.438 287 L N 2.172 123.363 121.223 -0.054 0.000 2.461 287 L HA 0.070 4.409 4.340 -0.001 0.000 0.272 287 L C 0.510 177.354 176.870 -0.043 0.000 1.197 287 L CA 0.392 55.192 54.840 -0.066 0.000 0.836 287 L CB 0.359 42.341 42.059 -0.128 0.000 1.105 287 L HN 0.507 nan 8.230 nan 0.000 0.477 288 D N 3.805 124.193 120.400 -0.020 0.000 2.608 288 D HA -0.039 4.600 4.640 -0.001 0.000 0.224 288 D C 1.387 177.707 176.300 0.033 0.000 1.123 288 D CA 0.176 54.176 54.000 -0.001 0.000 1.030 288 D CB 0.401 41.205 40.800 0.007 0.000 1.093 288 D HN 0.568 nan 8.370 nan 0.000 0.497 289 V N 3.458 123.381 119.914 0.014 0.000 2.277 289 V HA -0.317 3.802 4.120 -0.001 0.000 0.255 289 V C 1.607 177.760 176.094 0.099 0.000 1.074 289 V CA 2.194 64.523 62.300 0.049 0.000 1.058 289 V CB -0.010 31.825 31.823 0.020 0.000 0.656 289 V HN 0.434 nan 8.190 nan 0.000 0.449 290 D N -0.155 120.278 120.400 0.056 0.000 2.078 290 D HA -0.132 4.507 4.640 -0.001 0.000 0.193 290 D C 2.229 178.561 176.300 0.053 0.000 0.990 290 D CA 1.924 55.951 54.000 0.046 0.000 0.827 290 D CB -0.571 40.241 40.800 0.020 0.000 0.975 290 D HN 0.578 nan 8.370 nan 0.000 0.451 291 A N 0.641 123.491 122.820 0.050 0.000 1.849 291 A HA -0.279 4.040 4.320 -0.001 0.000 0.217 291 A C 2.241 179.865 177.584 0.066 0.000 1.202 291 A CA 2.090 54.153 52.037 0.044 0.000 0.629 291 A CB -1.542 17.482 19.000 0.040 0.000 0.834 291 A HN 0.394 nan 8.150 nan 0.000 0.447 292 Y N 0.343 120.633 120.300 -0.018 0.000 1.997 292 Y HA -0.379 4.170 4.550 -0.001 0.000 0.265 292 Y C 2.610 178.502 175.900 -0.013 0.000 1.193 292 Y CA 2.768 60.858 58.100 -0.017 0.000 1.106 292 Y CB -0.730 37.719 38.460 -0.018 0.000 0.940 292 Y HN 0.487 nan 8.280 nan 0.000 0.494 293 Q N -0.325 119.482 119.800 0.011 0.000 1.975 293 Q HA -0.249 4.090 4.340 -0.001 0.000 0.205 293 Q C 2.548 178.475 176.000 -0.122 0.000 0.990 293 Q CA 1.696 57.439 55.803 -0.100 0.000 0.845 293 Q CB -0.610 28.164 28.738 0.059 0.000 0.913 293 Q HN 0.670 nan 8.270 nan 0.000 0.420 294 A N 0.430 123.219 122.820 -0.052 0.000 1.917 294 A HA -0.242 4.077 4.320 -0.001 0.000 0.219 294 A C 2.105 179.644 177.584 -0.076 0.000 1.182 294 A CA 1.990 53.998 52.037 -0.048 0.000 0.633 294 A CB -0.889 18.098 19.000 -0.023 0.000 0.819 294 A HN 0.413 nan 8.150 nan 0.000 0.448 295 S N -1.636 114.006 115.700 -0.097 0.000 2.537 295 S HA 0.035 4.504 4.470 -0.001 0.000 0.240 295 S C 0.725 175.238 174.600 -0.145 0.000 0.981 295 S CA 0.573 58.709 58.200 -0.106 0.000 0.948 295 S CB -0.726 62.418 63.200 -0.093 0.000 0.759 295 S HN 0.386 nan 8.310 nan 0.000 0.531 374 K N 0.441 120.845 120.400 0.007 0.000 2.580 374 K HA 0.180 4.499 4.320 -0.001 0.000 0.258 374 K C -2.500 174.133 176.600 0.055 0.000 0.936 374 K CA -1.399 54.897 56.287 0.014 0.000 0.852 374 K CB 2.036 34.575 32.500 0.065 0.000 1.329 374 K HN 0.206 nan 8.250 nan 0.000 0.430 375 P HA -0.259 nan 4.420 nan 0.000 0.213 375 P C 1.337 178.690 177.300 0.089 0.000 1.170 375 P CA 1.730 64.869 63.100 0.066 0.000 0.902 375 P CB -0.008 31.731 31.700 0.065 0.000 0.789 376 V N -1.498 118.521 119.914 0.174 0.000 0.811 376 V HA -0.451 3.668 4.120 -0.001 0.000 0.097 376 V C 1.845 177.949 176.094 0.016 0.000 1.319 376 V CA 2.818 65.174 62.300 0.093 0.000 3.129 376 V CB -2.172 29.694 31.823 0.071 0.000 0.563 376 V HN 0.137 nan 8.190 nan 0.000 0.469 377 I N 0.368 120.942 120.570 0.008 0.000 2.442 377 I HA -0.260 3.909 4.170 -0.001 0.000 0.261 377 I C 1.722 177.834 176.117 -0.008 0.000 1.132 377 I CA 1.963 63.256 61.300 -0.012 0.000 1.412 377 I CB -0.773 37.221 38.000 -0.010 0.000 1.091 377 I HN 0.534 nan 8.210 nan 0.000 0.448 378 K N 3.483 123.886 120.400 0.005 0.000 2.361 378 K HA 0.065 4.384 4.320 -0.001 0.000 0.283 378 K C -2.143 174.454 176.600 -0.005 0.000 1.078 378 K CA -1.092 55.197 56.287 0.002 0.000 1.041 378 K CB 0.188 32.695 32.500 0.012 0.000 0.932 378 K HN 0.065 nan 8.250 nan 0.000 0.462 379 P HA 0.047 nan 4.420 nan 0.000 0.285 379 P C -0.501 176.794 177.300 -0.008 0.000 1.448 379 P CA -0.805 62.301 63.100 0.009 0.000 0.953 379 P CB 0.648 32.367 31.700 0.032 0.000 1.175 380 L N 4.039 125.243 121.223 -0.032 0.000 2.927 380 L HA -0.118 4.222 4.340 -0.001 0.000 0.292 380 L C 1.144 177.907 176.870 -0.178 0.000 1.088 380 L CA 1.498 56.279 54.840 -0.099 0.000 0.969 380 L CB -1.014 40.983 42.059 -0.104 0.000 1.399 380 L HN 0.335 nan 8.230 nan 0.000 0.458 381 T N 3.700 118.149 114.554 -0.175 0.000 3.043 381 T HA 0.057 4.407 4.350 -0.001 0.000 0.263 381 T C 0.731 175.234 174.700 -0.328 0.000 1.094 381 T CA 1.436 63.425 62.100 -0.184 0.000 1.127 381 T CB 0.223 69.033 68.868 -0.096 0.000 0.905 381 T HN 0.766 nan 8.240 nan 0.000 0.490 382 E N 0.164 120.117 120.200 -0.412 0.000 4.448 382 E HA 0.432 4.782 4.350 -0.001 0.000 0.159 382 E C -1.197 175.101 176.600 -0.504 0.000 1.117 382 E CA -0.707 55.444 56.400 -0.416 0.000 0.873 382 E CB 1.010 30.601 29.700 -0.182 0.000 1.896 382 E HN 0.248 nan 8.360 nan 0.000 0.412 383 D N -0.642 119.631 120.400 -0.211 0.000 2.871 383 D HA 0.070 4.710 4.640 -0.001 0.000 0.330 383 D C -0.846 175.433 176.300 -0.035 0.000 1.364 383 D CA -0.554 53.388 54.000 -0.096 0.000 0.759 383 D CB -0.330 40.484 40.800 0.024 0.000 1.325 383 D HN 0.193 nan 8.370 nan 0.000 0.452 384 S N -0.694 115.008 115.700 0.002 0.000 2.589 384 S HA 0.106 4.575 4.470 -0.001 0.000 0.256 384 S C 0.418 175.019 174.600 0.002 0.000 1.383 384 S CA 0.191 58.394 58.200 0.004 0.000 0.983 384 S CB -0.152 63.058 63.200 0.018 0.000 0.908 384 S HN 0.636 nan 8.310 nan 0.000 0.572 385 K N -0.164 120.234 120.400 -0.003 0.000 2.905 385 K HA -0.236 4.084 4.320 -0.001 0.000 0.256 385 K C -0.668 175.921 176.600 -0.018 0.000 1.008 385 K CA 0.992 57.273 56.287 -0.010 0.000 0.752 385 K CB -1.551 30.944 32.500 -0.008 0.000 1.216 385 K HN 0.596 nan 8.250 nan 0.000 0.479 386 K N 0.273 120.660 120.400 -0.022 0.000 5.029 386 K HA -0.262 4.057 4.320 -0.001 0.000 0.303 386 K C -0.529 176.055 176.600 -0.027 0.000 0.753 386 K CA 1.111 57.378 56.287 -0.033 0.000 0.889 386 K CB -0.715 31.765 32.500 -0.033 0.000 1.950 386 K HN 0.328 nan 8.250 nan 0.000 0.390 387 R N 1.007 121.502 120.500 -0.009 0.000 2.514 387 R HA 0.277 4.616 4.340 -0.001 0.000 0.301 387 R C 0.023 176.352 176.300 0.049 0.000 0.962 387 R CA -0.717 55.398 56.100 0.025 0.000 0.882 387 R CB 1.730 32.072 30.300 0.070 0.000 1.143 387 R HN 0.478 nan 8.270 nan 0.000 0.452 388 S N 1.518 117.247 115.700 0.049 0.000 2.565 388 S HA 0.172 4.641 4.470 -0.001 0.000 0.274 388 S C -0.060 174.661 174.600 0.201 0.000 1.309 388 S CA -0.562 57.667 58.200 0.049 0.000 1.043 388 S CB 0.526 63.729 63.200 0.006 0.000 0.939 388 S HN 0.565 nan 8.310 nan 0.000 0.504 389 Y N 2.009 122.280 120.300 -0.049 0.000 2.775 389 Y HA 0.297 4.846 4.550 -0.001 0.000 0.349 389 Y C 0.854 176.624 175.900 -0.217 0.000 1.094 389 Y CA -1.617 56.430 58.100 -0.089 0.000 1.467 389 Y CB -1.760 36.711 38.460 0.019 0.000 1.272 389 Y HN 0.735 nan 8.280 nan 0.000 0.515 390 N N 1.400 120.055 118.700 -0.074 0.000 2.770 390 N HA -0.240 4.499 4.740 -0.001 0.000 0.283 390 N C -0.525 174.934 175.510 -0.085 0.000 1.009 390 N CA 0.608 53.576 53.050 -0.137 0.000 0.828 390 N CB -0.507 37.803 38.487 -0.295 0.000 0.939 390 N HN 0.404 nan 8.380 nan 0.000 0.580 391 L N 1.461 122.682 121.223 -0.003 0.000 2.380 391 L HA 0.134 4.473 4.340 -0.001 0.000 0.273 391 L C 2.404 179.294 176.870 0.034 0.000 1.138 391 L CA -0.457 54.406 54.840 0.039 0.000 0.832 391 L CB 0.676 42.769 42.059 0.056 0.000 1.124 391 L HN 0.335 nan 8.230 nan 0.000 0.454 392 I N 0.522 121.131 120.570 0.064 0.000 2.185 392 I HA -0.190 3.979 4.170 -0.001 0.000 0.246 392 I C 0.958 177.100 176.117 0.042 0.000 1.088 392 I CA 1.270 62.608 61.300 0.063 0.000 1.347 392 I CB -0.175 37.886 38.000 0.102 0.000 1.041 392 I HN 0.701 nan 8.210 nan 0.000 0.415 393 S N -0.574 115.148 115.700 0.036 0.000 2.625 393 S HA 0.359 4.828 4.470 -0.001 0.000 0.271 393 S C 0.122 174.730 174.600 0.013 0.000 1.161 393 S CA -0.788 57.424 58.200 0.021 0.000 0.820 393 S CB 1.079 64.290 63.200 0.018 0.000 1.137 393 S HN 0.254 nan 8.310 nan 0.000 0.470 394 N N 1.265 119.969 118.700 0.005 0.000 2.513 394 N HA -0.085 4.654 4.740 -0.001 0.000 0.187 394 N C 0.248 175.755 175.510 -0.003 0.000 1.056 394 N CA 1.389 54.439 53.050 0.000 0.000 0.907 394 N CB -0.356 38.129 38.487 -0.003 0.000 0.954 394 N HN 0.618 nan 8.380 nan 0.000 0.445 395 D N 0.148 120.545 120.400 -0.005 0.000 2.805 395 D HA 0.031 4.670 4.640 -0.001 0.000 0.271 395 D C 0.503 176.787 176.300 -0.027 0.000 1.166 395 D CA 0.131 54.121 54.000 -0.017 0.000 1.004 395 D CB -0.741 40.047 40.800 -0.020 0.000 1.136 395 D HN -0.173 nan 8.370 nan 0.000 0.444 396 S N 0.659 116.339 115.700 -0.033 0.000 2.593 396 S HA -0.029 4.440 4.470 -0.001 0.000 0.303 396 S C 1.538 176.115 174.600 -0.039 0.000 1.267 396 S CA 0.669 58.828 58.200 -0.068 0.000 1.047 396 S CB 0.737 63.916 63.200 -0.034 0.000 0.777 396 S HN 0.460 nan 8.310 nan 0.000 0.498 397 T N 0.873 115.359 114.554 -0.115 0.000 3.081 397 T HA 0.211 4.561 4.350 -0.001 0.000 0.255 397 T C 0.391 175.224 174.700 0.222 0.000 1.113 397 T CA 0.101 62.201 62.100 0.000 0.000 1.082 397 T CB -0.274 68.559 68.868 -0.058 0.000 0.939 397 T HN 0.446 nan 8.240 nan 0.000 0.506 398 F N 2.614 122.627 119.950 0.105 0.000 2.371 398 F HA 0.462 4.988 4.527 -0.001 0.000 0.329 398 F C 1.358 177.208 175.800 0.083 0.000 1.107 398 F CA -1.259 56.804 58.000 0.104 0.000 1.137 398 F CB 1.274 40.321 39.000 0.079 0.000 1.214 398 F HN 0.071 nan 8.300 nan 0.000 0.536 399 T N -0.897 113.821 114.554 0.273 0.000 2.936 399 T HA 0.195 4.544 4.350 -0.001 0.000 0.282 399 T C 0.323 175.071 174.700 0.081 0.000 1.003 399 T CA -0.712 61.465 62.100 0.128 0.000 1.005 399 T CB 1.752 70.666 68.868 0.076 0.000 1.097 399 T HN 0.673 nan 8.240 nan 0.000 0.532 400 Q N -0.445 119.349 119.800 -0.010 0.000 2.472 400 Q HA 0.119 4.458 4.340 -0.001 0.000 0.208 400 Q C -0.453 175.651 176.000 0.173 0.000 0.958 400 Q CA 0.369 56.210 55.803 0.063 0.000 0.932 400 Q CB -0.131 28.594 28.738 -0.022 0.000 1.007 400 Q HN 0.663 nan 8.270 nan 0.000 0.508 401 Y N 0.887 121.206 120.300 0.032 0.000 2.480 401 Y HA 0.143 4.692 4.550 -0.001 0.000 0.341 401 Y C 0.297 176.158 175.900 -0.064 0.000 1.031 401 Y CA -0.701 57.376 58.100 -0.039 0.000 1.295 401 Y CB 0.455 38.795 38.460 -0.200 0.000 1.162 401 Y HN -0.100 nan 8.280 nan 0.000 0.523 402 R N 2.103 122.718 120.500 0.192 0.000 2.346 402 R HA 0.280 4.619 4.340 -0.001 0.000 0.311 402 R C -0.624 175.655 176.300 -0.036 0.000 0.983 402 R CA -0.414 55.684 56.100 -0.004 0.000 0.880 402 R CB 1.580 31.797 30.300 -0.139 0.000 1.100 402 R HN 0.494 nan 8.270 nan 0.000 0.453 403 S N 2.526 118.184 115.700 -0.070 0.000 2.454 403 S HA 0.157 4.626 4.470 -0.001 0.000 0.306 403 S C 0.406 175.074 174.600 0.113 0.000 1.100 403 S CA -0.815 57.393 58.200 0.013 0.000 1.087 403 S CB 0.547 63.750 63.200 0.006 0.000 1.019 403 S HN 0.748 nan 8.310 nan 0.000 0.480 404 W N 5.369 126.706 121.300 0.061 0.000 2.352 404 W HA -0.171 4.489 4.660 -0.001 0.000 0.322 404 W C 1.688 178.296 176.519 0.148 0.000 1.208 404 W CA 1.876 59.277 57.345 0.093 0.000 1.286 404 W CB -0.991 28.534 29.460 0.107 0.000 1.167 404 W HN 0.976 nan 8.180 nan 0.000 0.469 405 Y N 0.845 121.179 120.300 0.056 0.000 2.219 405 Y HA -0.356 4.193 4.550 -0.001 0.000 0.283 405 Y C 2.208 178.013 175.900 -0.158 0.000 1.191 405 Y CA 2.607 60.611 58.100 -0.160 0.000 1.199 405 Y CB -0.681 37.866 38.460 0.144 0.000 0.972 405 Y HN 0.036 nan 8.280 nan 0.000 0.527 406 L N -1.214 119.979 121.223 -0.049 0.000 2.023 406 L HA -0.155 4.185 4.340 -0.001 0.000 0.205 406 L C 2.817 179.598 176.870 -0.149 0.000 1.073 406 L CA 1.021 55.821 54.840 -0.067 0.000 0.745 406 L CB -1.225 40.769 42.059 -0.110 0.000 0.900 406 L HN 0.239 nan 8.230 nan 0.000 0.435 407 A N -0.526 122.165 122.820 -0.216 0.000 1.948 407 A HA -0.311 4.009 4.320 -0.001 0.000 0.220 407 A C 2.194 179.590 177.584 -0.313 0.000 1.177 407 A CA 1.853 53.754 52.037 -0.227 0.000 0.636 407 A CB -0.978 17.911 19.000 -0.185 0.000 0.815 407 A HN 0.471 nan 8.150 nan 0.000 0.449 408 Y N 2.042 121.938 120.300 -0.674 0.000 2.089 408 Y HA -0.256 4.294 4.550 -0.001 0.000 0.282 408 Y C 1.894 177.490 175.900 -0.506 0.000 1.139 408 Y CA 2.505 60.187 58.100 -0.696 0.000 1.123 408 Y CB -0.119 37.676 38.460 -1.109 0.000 0.980 408 Y HN 0.543 nan 8.280 nan 0.000 0.493 409 N N -2.661 115.794 118.700 -0.408 0.000 2.236 409 N HA -0.009 4.730 4.740 -0.001 0.000 0.196 409 N C 0.288 175.448 175.510 -0.583 0.000 1.114 409 N CA 0.517 53.270 53.050 -0.494 0.000 0.859 409 N CB -0.542 37.647 38.487 -0.498 0.000 0.982 409 N HN 0.409 nan 8.380 nan 0.000 0.493 410 Y N 0.121 120.241 120.300 -0.300 0.000 2.445 410 Y HA 0.477 5.027 4.550 -0.001 0.000 0.247 410 Y C 1.497 177.270 175.900 -0.212 0.000 1.129 410 Y CA -0.505 57.453 58.100 -0.238 0.000 1.251 410 Y CB 0.725 39.038 38.460 -0.246 0.000 1.176 410 Y HN 0.065 nan 8.280 nan 0.000 0.522 411 G N -0.788 107.939 108.800 -0.121 0.000 2.521 411 G HA2 0.110 4.070 3.960 -0.001 0.000 0.323 411 G HA3 0.110 4.070 3.960 -0.001 0.000 0.323 411 G C -1.121 173.702 174.900 -0.128 0.000 1.211 411 G CA -0.544 44.488 45.100 -0.114 0.000 0.979 411 G HN -0.057 nan 8.290 nan 0.000 0.490 412 D N 0.260 120.606 120.400 -0.089 0.000 2.554 412 D HA 0.032 4.671 4.640 -0.001 0.000 0.251 412 D C -1.159 175.076 176.300 -0.108 0.000 1.213 412 D CA -1.125 52.827 54.000 -0.079 0.000 0.900 412 D CB 1.367 42.140 40.800 -0.045 0.000 1.135 412 D HN -0.095 nan 8.370 nan 0.000 0.522 413 P HA -0.112 nan 4.420 nan 0.000 0.218 413 P C 1.095 178.330 177.300 -0.108 0.000 1.149 413 P CA 1.114 64.115 63.100 -0.164 0.000 0.817 413 P CB 0.273 31.874 31.700 -0.166 0.000 0.785 414 Q N -1.521 118.238 119.800 -0.068 0.000 2.187 414 Q HA -0.041 4.298 4.340 -0.001 0.000 0.199 414 Q C 1.742 177.735 176.000 -0.010 0.000 0.957 414 Q CA 1.848 57.629 55.803 -0.037 0.000 0.857 414 Q CB -0.256 28.464 28.738 -0.029 0.000 0.929 414 Q HN 0.346 nan 8.270 nan 0.000 0.453 415 T N -4.068 110.482 114.554 -0.008 0.000 2.958 415 T HA 0.232 4.581 4.350 -0.001 0.000 0.256 415 T C 1.068 175.799 174.700 0.052 0.000 0.983 415 T CA 0.211 62.324 62.100 0.022 0.000 0.924 415 T CB 0.343 69.217 68.868 0.010 0.000 1.136 415 T HN 0.160 nan 8.240 nan 0.000 0.506 416 G N 1.748 110.557 108.800 0.015 0.000 2.393 416 G HA2 0.362 4.321 3.960 -0.001 0.000 0.268 416 G HA3 0.362 4.321 3.960 -0.001 0.000 0.268 416 G C 0.679 175.645 174.900 0.110 0.000 1.472 416 G CA -0.083 45.030 45.100 0.022 0.000 1.059 416 G HN 0.189 nan 8.290 nan 0.000 0.555 417 I N -0.251 120.346 120.570 0.046 0.000 2.716 417 I HA 0.107 4.277 4.170 -0.001 0.000 0.259 417 I C 2.688 178.746 176.117 -0.099 0.000 1.172 417 I CA 0.313 61.644 61.300 0.052 0.000 1.478 417 I CB -0.321 37.723 38.000 0.074 0.000 1.104 417 I HN 0.509 nan 8.210 nan 0.000 0.439 418 R N -0.283 120.086 120.500 -0.218 0.000 2.303 418 R HA -0.158 4.181 4.340 -0.001 0.000 0.225 418 R C 2.214 178.400 176.300 -0.190 0.000 1.114 418 R CA 1.346 57.182 56.100 -0.441 0.000 1.007 418 R CB -0.157 29.642 30.300 -0.834 0.000 0.861 418 R HN 0.311 nan 8.270 nan 0.000 0.471 419 S N 0.116 115.800 115.700 -0.026 0.000 2.406 419 S HA -0.069 4.400 4.470 -0.001 0.000 0.228 419 S C 1.069 175.794 174.600 0.208 0.000 1.020 419 S CA 0.871 59.126 58.200 0.092 0.000 0.965 419 S CB -0.062 63.236 63.200 0.165 0.000 0.798 419 S HN 0.703 nan 8.310 nan 0.000 0.488 420 W N 1.978 123.298 121.300 0.033 0.000 2.252 420 W HA 0.406 5.065 4.660 -0.001 0.000 0.338 420 W C -0.451 176.100 176.519 0.053 0.000 0.914 420 W CA 0.101 57.463 57.345 0.028 0.000 1.754 420 W CB -1.232 28.228 29.460 0.001 0.000 1.135 420 W HN 0.279 nan 8.180 nan 0.000 0.531 421 T N -1.001 113.393 114.554 -0.266 0.000 2.896 421 T HA 0.717 5.066 4.350 -0.001 0.000 0.297 421 T C -1.453 173.344 174.700 0.162 0.000 1.108 421 T CA -0.676 61.301 62.100 -0.205 0.000 1.004 421 T CB 2.912 71.594 68.868 -0.310 0.000 1.159 421 T HN 0.167 nan 8.240 nan 0.000 0.499 422 L N 2.133 123.445 121.223 0.149 0.000 2.385 422 L HA 0.639 4.978 4.340 -0.001 0.000 0.273 422 L C -1.231 175.663 176.870 0.040 0.000 0.990 422 L CA -1.444 53.509 54.840 0.188 0.000 0.821 422 L CB 1.841 43.959 42.059 0.097 0.000 1.279 422 L HN 0.796 nan 8.230 nan 0.000 0.412 423 L N 5.225 126.313 121.223 -0.225 0.000 2.385 423 L HA 0.367 4.706 4.340 -0.001 0.000 0.281 423 L C -0.776 176.011 176.870 -0.139 0.000 1.106 423 L CA 0.369 55.005 54.840 -0.340 0.000 0.856 423 L CB 0.119 41.665 42.059 -0.856 0.000 1.186 423 L HN 0.642 nan 8.230 nan 0.000 0.453 424 C N 1.688 120.963 119.300 -0.040 0.000 2.913 424 C HA 0.582 5.041 4.460 -0.001 0.000 0.322 424 C C 0.396 175.452 174.990 0.110 0.000 1.292 424 C CA -0.837 58.192 59.018 0.018 0.000 1.649 424 C CB 1.731 29.477 27.740 0.009 0.000 2.139 424 C HN 0.801 nan 8.230 nan 0.000 0.475 425 T N 3.497 118.089 114.554 0.063 0.000 2.928 425 T HA 0.104 4.454 4.350 -0.001 0.000 0.305 425 T C -1.464 173.258 174.700 0.037 0.000 1.035 425 T CA 0.087 62.227 62.100 0.067 0.000 1.145 425 T CB 0.391 69.273 68.868 0.023 0.000 0.963 425 T HN 0.567 nan 8.240 nan 0.000 0.545 426 P HA -0.152 nan 4.420 nan 0.000 0.201 426 P C 0.070 177.328 177.300 -0.070 0.000 1.046 426 P CA 1.207 64.266 63.100 -0.068 0.000 0.942 426 P CB 0.077 31.717 31.700 -0.100 0.000 0.733 427 D N -2.375 117.992 120.400 -0.056 0.000 4.874 427 D HA -0.104 4.535 4.640 -0.001 0.000 0.228 427 D C 0.550 176.812 176.300 -0.063 0.000 1.423 427 D CA 0.558 54.529 54.000 -0.047 0.000 1.130 427 D CB -0.622 40.151 40.800 -0.045 0.000 0.564 427 D HN 0.065 nan 8.370 nan 0.000 0.272 428 V N 2.475 122.363 119.914 -0.043 0.000 2.453 428 V HA -0.132 3.987 4.120 -0.001 0.000 0.247 428 V C 2.655 178.713 176.094 -0.060 0.000 1.048 428 V CA 2.642 64.908 62.300 -0.057 0.000 1.049 428 V CB -1.128 30.683 31.823 -0.020 0.000 0.672 428 V HN 0.797 nan 8.190 nan 0.000 0.457 429 T N -3.078 111.460 114.554 -0.026 0.000 2.896 429 T HA -0.320 4.029 4.350 -0.001 0.000 0.270 429 T C 1.418 176.084 174.700 -0.056 0.000 1.104 429 T CA 1.429 63.514 62.100 -0.025 0.000 1.115 429 T CB -1.324 67.549 68.868 0.008 0.000 0.843 429 T HN 1.045 nan 8.240 nan 0.000 0.523 430 C N -0.283 118.975 119.300 -0.070 0.000 4.933 430 C HA 0.098 4.557 4.460 -0.001 0.000 0.249 430 C C 1.154 176.107 174.990 -0.062 0.000 1.406 430 C CA 0.560 59.528 59.018 -0.083 0.000 1.505 430 C CB -2.049 25.637 27.740 -0.090 0.000 1.870 430 C HN 1.801 nan 8.230 nan 0.000 0.651 431 G N 0.031 108.806 108.800 -0.042 0.000 2.661 431 G HA2 0.347 4.306 3.960 -0.001 0.000 0.262 431 G HA3 0.347 4.306 3.960 -0.001 0.000 0.262 431 G C -0.481 174.415 174.900 -0.008 0.000 1.310 431 G CA 0.036 45.120 45.100 -0.026 0.000 1.160 431 G HN 0.849 nan 8.290 nan 0.000 0.598 432 S N 2.404 118.107 115.700 0.006 0.000 2.714 432 S HA 0.236 4.706 4.470 -0.001 0.000 0.318 432 S C 0.476 175.100 174.600 0.041 0.000 1.219 432 S CA 0.208 58.425 58.200 0.028 0.000 1.175 432 S CB 0.638 63.854 63.200 0.028 0.000 0.961 432 S HN 0.540 nan 8.310 nan 0.000 0.518 433 E N 2.370 122.596 120.200 0.045 0.000 2.222 433 E HA 0.395 4.744 4.350 -0.001 0.000 0.267 433 E C -0.299 176.360 176.600 0.098 0.000 0.963 433 E CA -0.836 55.598 56.400 0.055 0.000 0.837 433 E CB 1.347 31.053 29.700 0.010 0.000 1.183 433 E HN 0.586 nan 8.360 nan 0.000 0.403 434 Q N -0.373 119.513 119.800 0.143 0.000 2.248 434 Q HA 0.651 4.990 4.340 -0.001 0.000 0.263 434 Q C -0.296 175.849 176.000 0.242 0.000 1.007 434 Q CA -1.084 54.846 55.803 0.213 0.000 0.877 434 Q CB 1.460 30.365 28.738 0.278 0.000 1.315 434 Q HN 0.285 nan 8.270 nan 0.000 0.454 435 V N -2.222 117.857 119.914 0.274 0.000 2.769 435 V HA 0.634 4.753 4.120 -0.001 0.000 0.312 435 V C -1.244 175.109 176.094 0.432 0.000 1.061 435 V CA -0.943 61.490 62.300 0.222 0.000 0.931 435 V CB 1.167 33.017 31.823 0.045 0.000 1.010 435 V HN 0.814 nan 8.190 nan 0.000 0.433 436 Y N 1.187 121.486 120.300 -0.002 0.000 2.377 436 Y HA 0.578 5.127 4.550 -0.001 0.000 0.339 436 Y C -0.486 175.408 175.900 -0.009 0.000 1.011 436 Y CA -0.865 57.267 58.100 0.052 0.000 1.093 436 Y CB 2.101 40.602 38.460 0.069 0.000 1.201 436 Y HN 0.685 nan 8.280 nan 0.000 0.455 437 W N 1.208 122.558 121.300 0.083 0.000 2.390 437 W HA 0.588 5.248 4.660 -0.001 0.000 0.362 437 W C -0.708 175.778 176.519 -0.055 0.000 1.206 437 W CA -0.273 57.062 57.345 -0.017 0.000 1.355 437 W CB 1.663 31.037 29.460 -0.144 0.000 1.278 437 W HN 0.368 nan 8.180 nan 0.000 0.653 438 S N 0.736 116.564 115.700 0.213 0.000 2.563 438 S HA 0.486 4.955 4.470 -0.001 0.000 0.279 438 S C -1.157 173.400 174.600 -0.071 0.000 1.155 438 S CA -0.936 57.280 58.200 0.026 0.000 0.928 438 S CB 0.434 63.664 63.200 0.049 0.000 1.107 438 S HN 0.448 nan 8.310 nan 0.000 0.462 439 L N 1.769 122.907 121.223 -0.141 0.000 3.083 439 L HA 0.332 4.671 4.340 -0.001 0.000 0.286 439 L C -2.100 174.631 176.870 -0.232 0.000 1.307 439 L CA -1.952 52.778 54.840 -0.184 0.000 0.897 439 L CB 0.629 42.605 42.059 -0.138 0.000 1.306 439 L HN 0.398 nan 8.230 nan 0.000 0.569 440 P HA -0.277 nan 4.420 nan 0.000 0.229 440 P C 0.596 177.765 177.300 -0.219 0.000 1.152 440 P CA 1.729 64.618 63.100 -0.351 0.000 0.915 440 P CB 0.123 31.373 31.700 -0.750 0.000 0.784 441 D N -2.982 117.290 120.400 -0.214 0.000 2.340 441 D HA 0.125 4.765 4.640 -0.001 0.000 0.217 441 D C 1.462 177.696 176.300 -0.110 0.000 1.081 441 D CA 0.373 54.289 54.000 -0.139 0.000 0.842 441 D CB 0.165 40.886 40.800 -0.133 0.000 0.934 441 D HN 0.308 nan 8.370 nan 0.000 0.511 442 M N -0.725 118.806 119.600 -0.116 0.000 2.180 442 M HA 0.095 4.575 4.480 -0.001 0.000 0.289 442 M C -0.781 175.472 176.300 -0.078 0.000 1.089 442 M CA 0.218 55.461 55.300 -0.096 0.000 1.120 442 M CB 0.940 33.475 32.600 -0.108 0.000 1.864 442 M HN -0.242 nan 8.290 nan 0.000 0.636 443 M N 1.283 120.833 119.600 -0.082 0.000 2.644 443 M HA 0.444 4.924 4.480 -0.001 0.000 0.316 443 M C -0.497 175.777 176.300 -0.042 0.000 1.200 443 M CA -0.379 54.885 55.300 -0.060 0.000 0.944 443 M CB 1.216 33.770 32.600 -0.077 0.000 1.691 443 M HN 0.077 nan 8.290 nan 0.000 0.471 444 Q N 0.982 120.772 119.800 -0.017 0.000 2.354 444 Q HA 0.174 4.513 4.340 -0.001 0.000 0.244 444 Q C -0.879 175.120 176.000 -0.000 0.000 0.969 444 Q CA -0.309 55.494 55.803 -0.001 0.000 0.885 444 Q CB 0.789 29.534 28.738 0.012 0.000 1.241 444 Q HN 0.444 nan 8.270 nan 0.000 0.461 445 D N 3.553 123.968 120.400 0.025 0.000 2.338 445 D HA 0.164 4.803 4.640 -0.001 0.000 0.255 445 D C -2.230 174.137 176.300 0.113 0.000 1.237 445 D CA -1.323 52.710 54.000 0.055 0.000 0.883 445 D CB 0.232 41.089 40.800 0.095 0.000 1.087 445 D HN 0.109 nan 8.370 nan 0.000 0.485 446 P HA -0.140 nan 4.420 nan 0.000 0.259 446 P C 1.215 178.692 177.300 0.295 0.000 1.163 446 P CA -0.040 63.180 63.100 0.200 0.000 0.760 446 P CB 0.670 32.486 31.700 0.193 0.000 0.762 447 V N 2.826 122.832 119.914 0.152 0.000 2.275 447 V HA -0.428 3.691 4.120 -0.001 0.000 0.165 447 V C 1.883 178.018 176.094 0.068 0.000 0.956 447 V CA 2.962 65.315 62.300 0.089 0.000 1.690 447 V CB -2.416 29.441 31.823 0.057 0.000 1.014 447 V HN 0.800 nan 8.190 nan 0.000 0.453 448 T N -2.834 111.724 114.554 0.007 0.000 3.069 448 T HA 0.371 4.720 4.350 -0.001 0.000 0.252 448 T C 0.020 174.636 174.700 -0.140 0.000 1.053 448 T CA -0.135 61.910 62.100 -0.093 0.000 0.964 448 T CB -0.298 68.462 68.868 -0.179 0.000 1.005 448 T HN 0.234 nan 8.240 nan 0.000 0.532 449 F N 3.212 123.185 119.950 0.039 0.000 2.410 449 F HA 0.461 4.987 4.527 -0.001 0.000 0.334 449 F C 1.125 176.953 175.800 0.048 0.000 1.134 449 F CA -1.199 56.833 58.000 0.052 0.000 1.227 449 F CB 0.798 39.839 39.000 0.069 0.000 1.194 449 F HN 0.058 nan 8.300 nan 0.000 0.571 450 R N 0.077 120.714 120.500 0.229 0.000 2.664 450 R HA 0.661 5.000 4.340 -0.001 0.000 0.286 450 R C -0.960 175.442 176.300 0.170 0.000 0.967 450 R CA -0.937 55.253 56.100 0.150 0.000 0.933 450 R CB 1.270 31.626 30.300 0.092 0.000 1.146 450 R HN 0.639 nan 8.270 nan 0.000 0.468 451 S N 1.033 116.812 115.700 0.132 0.000 2.548 451 S HA 0.261 4.731 4.470 -0.001 0.000 0.277 451 S C 0.028 174.707 174.600 0.131 0.000 1.315 451 S CA -0.386 57.894 58.200 0.134 0.000 1.050 451 S CB 1.481 64.738 63.200 0.095 0.000 0.918 451 S HN 0.772 nan 8.310 nan 0.000 0.497 452 T N 0.098 114.758 114.554 0.176 0.000 2.647 452 T HA 0.593 4.943 4.350 -0.001 0.000 0.295 452 T C 0.154 174.979 174.700 0.209 0.000 1.126 452 T CA -0.034 62.149 62.100 0.138 0.000 1.040 452 T CB 0.902 69.817 68.868 0.078 0.000 1.472 452 T HN 0.891 nan 8.240 nan 0.000 0.500 453 S N -0.046 115.722 115.700 0.114 0.000 2.819 453 S HA 0.267 4.736 4.470 -0.001 0.000 0.249 453 S C 0.306 174.854 174.600 -0.087 0.000 1.030 453 S CA -0.381 57.909 58.200 0.150 0.000 1.052 453 S CB -0.073 63.194 63.200 0.111 0.000 1.017 453 S HN 0.683 nan 8.310 nan 0.000 0.576 454 Q N 2.206 121.863 119.800 -0.239 0.000 2.490 454 Q HA 0.270 4.610 4.340 -0.001 0.000 0.226 454 Q C 0.928 176.498 176.000 -0.716 0.000 1.132 454 Q CA -0.523 55.085 55.803 -0.325 0.000 0.928 454 Q CB -0.044 28.588 28.738 -0.176 0.000 1.299 454 Q HN 0.451 nan 8.270 nan 0.000 0.528 455 I N 1.334 121.413 120.570 -0.818 0.000 2.292 455 I HA -0.389 3.780 4.170 -0.001 0.000 0.255 455 I C 1.449 177.215 176.117 -0.584 0.000 1.078 455 I CA 2.004 62.752 61.300 -0.920 0.000 1.365 455 I CB -1.367 36.482 38.000 -0.253 0.000 1.049 455 I HN 0.521 nan 8.210 nan 0.000 0.439 456 S N -0.836 114.654 115.700 -0.351 0.000 2.685 456 S HA 0.229 4.698 4.470 -0.001 0.000 0.240 456 S C 0.862 175.381 174.600 -0.135 0.000 0.967 456 S CA 0.057 58.151 58.200 -0.178 0.000 1.009 456 S CB -1.087 62.050 63.200 -0.105 0.000 0.776 456 S HN 0.777 nan 8.310 nan 0.000 0.467 457 N N -0.547 118.035 118.700 -0.197 0.000 1.958 457 N HA 0.210 4.949 4.740 -0.001 0.000 0.223 457 N C -0.963 174.590 175.510 0.072 0.000 1.395 457 N CA -0.256 52.776 53.050 -0.031 0.000 0.737 457 N CB 0.296 38.768 38.487 -0.026 0.000 1.155 457 N HN 0.147 nan 8.380 nan 0.000 0.529 458 F N 2.295 122.271 119.950 0.044 0.000 2.657 458 F HA 0.118 4.644 4.527 -0.001 0.000 0.347 458 F C -1.665 174.123 175.800 -0.020 0.000 1.180 458 F CA -0.903 57.106 58.000 0.015 0.000 1.383 458 F CB -0.302 38.692 39.000 -0.010 0.000 1.077 458 F HN 0.006 nan 8.300 nan 0.000 0.622 459 P HA 0.187 nan 4.420 nan 0.000 0.274 459 P C -0.972 176.092 177.300 -0.394 0.000 1.231 459 P CA -0.193 62.747 63.100 -0.266 0.000 0.790 459 P CB 0.733 32.343 31.700 -0.150 0.000 0.951 460 V N 2.500 121.886 119.914 -0.880 0.000 2.532 460 V HA 0.217 4.337 4.120 -0.001 0.000 0.295 460 V C 1.202 177.092 176.094 -0.340 0.000 1.041 460 V CA -0.120 61.937 62.300 -0.406 0.000 0.926 460 V CB 1.626 33.302 31.823 -0.244 0.000 0.992 460 V HN 0.494 nan 8.190 nan 0.000 0.457 461 V N 0.129 119.946 119.914 -0.161 0.000 3.485 461 V HA 0.736 4.856 4.120 -0.001 0.000 0.280 461 V C 0.516 176.511 176.094 -0.165 0.000 1.495 461 V CA 0.576 62.783 62.300 -0.154 0.000 1.018 461 V CB 0.367 32.097 31.823 -0.155 0.000 0.818 461 V HN 0.999 nan 8.190 nan 0.000 0.436 462 G N -0.278 108.437 108.800 -0.142 0.000 2.755 462 G HA2 0.756 4.716 3.960 -0.001 0.000 0.297 462 G HA3 0.756 4.716 3.960 -0.001 0.000 0.297 462 G C -1.179 173.767 174.900 0.077 0.000 1.441 462 G CA 0.022 45.009 45.100 -0.188 0.000 0.964 462 G HN 0.822 nan 8.290 nan 0.000 0.540 463 A N 0.979 123.890 122.820 0.150 0.000 2.356 463 A HA 0.987 5.306 4.320 -0.001 0.000 0.323 463 A C -0.362 177.409 177.584 0.313 0.000 1.119 463 A CA -0.586 51.527 52.037 0.127 0.000 0.790 463 A CB 2.033 20.957 19.000 -0.125 0.000 1.273 463 A HN 1.118 nan 8.150 nan 0.000 0.452 464 E N 1.465 121.853 120.200 0.313 0.000 2.378 464 E HA 0.398 4.748 4.350 -0.001 0.000 0.283 464 E C -1.950 174.793 176.600 0.238 0.000 0.979 464 E CA -0.758 55.824 56.400 0.303 0.000 0.795 464 E CB 1.164 31.144 29.700 0.467 0.000 1.221 464 E HN 0.573 nan 8.360 nan 0.000 0.428 465 L N 3.307 124.644 121.223 0.189 0.000 2.456 465 L HA 0.183 4.523 4.340 -0.001 0.000 0.272 465 L C -0.380 176.593 176.870 0.172 0.000 1.189 465 L CA -0.174 54.765 54.840 0.165 0.000 0.846 465 L CB 0.728 42.871 42.059 0.140 0.000 1.111 465 L HN 0.620 nan 8.230 nan 0.000 0.475 466 L N 8.217 129.528 121.223 0.147 0.000 2.456 466 L HA 0.300 4.639 4.340 -0.001 0.000 0.277 466 L C -1.913 175.045 176.870 0.146 0.000 1.124 466 L CA -1.511 53.409 54.840 0.134 0.000 0.880 466 L CB -0.221 41.901 42.059 0.106 0.000 1.192 466 L HN 0.503 nan 8.230 nan 0.000 0.463 467 P HA -0.081 nan 4.420 nan 0.000 0.148 467 P C -1.330 176.047 177.300 0.129 0.000 0.993 467 P CA 0.614 63.800 63.100 0.143 0.000 1.195 467 P CB -0.412 31.380 31.700 0.153 0.000 1.599 468 V N 1.578 121.613 119.914 0.201 0.000 2.711 468 V HA 0.334 4.454 4.120 -0.001 0.000 0.304 468 V C -0.136 176.188 176.094 0.383 0.000 1.097 468 V CA -0.728 61.691 62.300 0.198 0.000 0.906 468 V CB 1.940 33.841 31.823 0.131 0.000 1.015 468 V HN 0.343 nan 8.190 nan 0.000 0.427 469 H N 1.117 120.224 119.070 0.063 0.000 2.797 469 H HA 0.577 5.132 4.556 -0.001 0.000 0.362 469 H C -0.663 174.692 175.328 0.045 0.000 1.183 469 H CA -0.968 55.107 56.048 0.046 0.000 1.197 469 H CB 2.316 32.101 29.762 0.038 0.000 1.835 469 H HN 0.561 nan 8.280 nan 0.000 0.567 470 S N 1.969 117.740 115.700 0.119 0.000 2.488 470 S HA 0.109 4.578 4.470 -0.001 0.000 0.310 470 S C 0.008 174.637 174.600 0.048 0.000 1.093 470 S CA -0.660 57.584 58.200 0.073 0.000 1.129 470 S CB 0.263 63.475 63.200 0.020 0.000 0.989 470 S HN 0.267 nan 8.310 nan 0.000 0.479 471 K N 2.101 122.543 120.400 0.070 0.000 2.249 471 K HA 0.375 4.694 4.320 -0.001 0.000 0.280 471 K C -0.274 176.251 176.600 -0.124 0.000 1.033 471 K CA -0.069 56.180 56.287 -0.063 0.000 0.946 471 K CB 1.100 33.587 32.500 -0.022 0.000 1.005 471 K HN 0.437 nan 8.250 nan 0.000 0.469 472 S N 3.094 118.597 115.700 -0.327 0.000 2.482 472 S HA 0.634 5.104 4.470 -0.001 0.000 0.303 472 S C -0.846 173.490 174.600 -0.441 0.000 1.091 472 S CA -0.610 57.467 58.200 -0.206 0.000 1.057 472 S CB 0.571 63.717 63.200 -0.091 0.000 1.031 472 S HN 0.353 nan 8.310 nan 0.000 0.485 473 F N 0.952 120.925 119.950 0.038 0.000 2.654 473 F HA 0.555 5.081 4.527 -0.001 0.000 0.334 473 F C -0.687 175.174 175.800 0.101 0.000 1.078 473 F CA -1.079 56.959 58.000 0.062 0.000 0.986 473 F CB 0.932 39.952 39.000 0.035 0.000 1.362 473 F HN 0.497 nan 8.300 nan 0.000 0.498 474 Y N 2.259 122.685 120.300 0.210 0.000 2.331 474 Y HA 0.404 4.953 4.550 -0.001 0.000 0.334 474 Y C -0.742 175.207 175.900 0.082 0.000 0.960 474 Y CA -1.153 57.007 58.100 0.100 0.000 1.130 474 Y CB 0.996 39.489 38.460 0.055 0.000 1.164 474 Y HN 0.534 nan 8.280 nan 0.000 0.458 475 N N 3.692 122.162 118.700 -0.382 0.000 2.750 475 N HA 0.100 4.839 4.740 -0.001 0.000 0.253 475 N C -0.547 174.754 175.510 -0.349 0.000 1.408 475 N CA -0.433 52.489 53.050 -0.215 0.000 0.780 475 N CB 0.584 38.999 38.487 -0.120 0.000 1.191 475 N HN 0.627 nan 8.380 nan 0.000 0.511 476 D N 0.570 120.752 120.400 -0.363 0.000 2.384 476 D HA -0.098 4.541 4.640 -0.001 0.000 0.222 476 D C 1.102 177.364 176.300 -0.064 0.000 0.976 476 D CA 0.784 54.663 54.000 -0.201 0.000 0.915 476 D CB 0.415 41.286 40.800 0.118 0.000 0.896 476 D HN 0.416 nan 8.370 nan 0.000 0.523 477 Q N -0.075 119.703 119.800 -0.038 0.000 2.500 477 Q HA 0.041 4.380 4.340 -0.001 0.000 0.213 477 Q C 0.545 176.580 176.000 0.058 0.000 0.974 477 Q CA 0.146 55.976 55.803 0.044 0.000 0.918 477 Q CB -0.249 28.513 28.738 0.040 0.000 0.980 477 Q HN 0.188 nan 8.270 nan 0.000 0.505 478 A N 0.127 122.936 122.820 -0.019 0.000 2.440 478 A HA 0.296 4.615 4.320 -0.001 0.000 0.251 478 A C 1.221 178.825 177.584 0.034 0.000 1.089 478 A CA 0.080 52.104 52.037 -0.020 0.000 0.779 478 A CB 0.510 19.461 19.000 -0.082 0.000 1.022 478 A HN 0.136 nan 8.150 nan 0.000 0.492 479 V N 0.463 120.399 119.914 0.037 0.000 2.070 479 V HA -0.334 3.786 4.120 -0.001 0.000 0.100 479 V C 1.033 177.192 176.094 0.107 0.000 0.533 479 V CA 2.597 64.929 62.300 0.054 0.000 1.406 479 V CB -2.706 29.145 31.823 0.047 0.000 1.610 479 V HN 1.169 nan 8.190 nan 0.000 0.921 480 Y N -0.602 119.706 120.300 0.013 0.000 2.498 480 Y HA 0.314 4.863 4.550 -0.001 0.000 0.259 480 Y C 2.103 178.025 175.900 0.037 0.000 1.086 480 Y CA 1.560 59.678 58.100 0.029 0.000 1.287 480 Y CB 0.863 39.335 38.460 0.021 0.000 1.146 480 Y HN 0.186 nan 8.280 nan 0.000 0.523 481 S N -0.168 115.621 115.700 0.147 0.000 2.387 481 S HA -0.146 4.323 4.470 -0.001 0.000 0.221 481 S C 2.053 176.676 174.600 0.037 0.000 1.041 481 S CA 1.091 59.343 58.200 0.086 0.000 0.959 481 S CB -0.425 62.814 63.200 0.065 0.000 0.843 481 S HN 0.700 nan 8.310 nan 0.000 0.488 482 Q N 0.357 120.170 119.800 0.021 0.000 2.133 482 Q HA -0.207 4.132 4.340 -0.001 0.000 0.208 482 Q C 2.124 178.138 176.000 0.024 0.000 0.991 482 Q CA 1.981 57.788 55.803 0.007 0.000 0.867 482 Q CB -0.505 28.233 28.738 0.001 0.000 0.911 482 Q HN 0.527 nan 8.270 nan 0.000 0.417 483 L N 0.490 121.727 121.223 0.023 0.000 2.012 483 L HA -0.129 4.210 4.340 -0.001 0.000 0.210 483 L C 2.191 179.172 176.870 0.184 0.000 1.073 483 L CA 1.784 56.657 54.840 0.054 0.000 0.748 483 L CB -0.210 41.796 42.059 -0.087 0.000 0.891 483 L HN 0.382 nan 8.230 nan 0.000 0.431 484 I N -1.631 118.993 120.570 0.090 0.000 2.703 484 I HA -0.096 4.073 4.170 -0.001 0.000 0.259 484 I C 2.551 178.775 176.117 0.179 0.000 1.151 484 I CA 0.361 61.764 61.300 0.172 0.000 1.470 484 I CB -0.296 37.728 38.000 0.039 0.000 1.112 484 I HN 0.221 nan 8.210 nan 0.000 0.437 485 R N 1.298 121.848 120.500 0.084 0.000 2.105 485 R HA -0.229 4.110 4.340 -0.001 0.000 0.239 485 R C 2.166 178.468 176.300 0.003 0.000 1.135 485 R CA 1.735 57.858 56.100 0.038 0.000 0.967 485 R CB -0.118 30.184 30.300 0.003 0.000 0.861 485 R HN 0.429 nan 8.270 nan 0.000 0.442 486 Q N -0.949 118.821 119.800 -0.050 0.000 2.170 486 Q HA -0.170 4.169 4.340 -0.001 0.000 0.203 486 Q C 1.714 177.465 176.000 -0.414 0.000 0.976 486 Q CA 1.674 57.319 55.803 -0.262 0.000 0.858 486 Q CB -0.018 28.520 28.738 -0.335 0.000 0.907 486 Q HN 0.375 nan 8.270 nan 0.000 0.433 487 F N -0.743 119.151 119.950 -0.093 0.000 2.335 487 F HA -0.047 4.479 4.527 -0.001 0.000 0.296 487 F C 2.448 178.211 175.800 -0.062 0.000 1.091 487 F CA 0.852 58.806 58.000 -0.077 0.000 1.399 487 F CB -0.345 38.633 39.000 -0.036 0.000 1.067 487 F HN -0.058 nan 8.300 nan 0.000 0.520 488 T N -0.346 114.287 114.554 0.132 0.000 2.708 488 T HA -0.135 4.214 4.350 -0.001 0.000 0.266 488 T C 1.070 175.783 174.700 0.020 0.000 1.037 488 T CA 1.419 63.559 62.100 0.067 0.000 1.146 488 T CB -0.589 68.310 68.868 0.052 0.000 0.865 488 T HN 0.227 nan 8.240 nan 0.000 0.435 489 S N 1.959 117.651 115.700 -0.013 0.000 2.474 489 S HA 0.339 4.808 4.470 -0.001 0.000 0.276 489 S C 0.949 175.498 174.600 -0.085 0.000 1.227 489 S CA -0.562 57.621 58.200 -0.029 0.000 1.050 489 S CB 0.394 63.589 63.200 -0.008 0.000 0.939 489 S HN 0.318 nan 8.310 nan 0.000 0.490 490 L N 2.381 123.571 121.223 -0.056 0.000 2.642 490 L HA 0.027 4.366 4.340 -0.001 0.000 0.236 490 L C 0.477 177.271 176.870 -0.126 0.000 1.169 490 L CA 0.400 55.198 54.840 -0.069 0.000 0.851 490 L CB -1.206 40.839 42.059 -0.023 0.000 0.968 490 L HN 0.702 nan 8.230 nan 0.000 0.453 491 T N -3.186 111.264 114.554 -0.174 0.000 2.909 491 T HA 0.301 4.651 4.350 -0.001 0.000 0.299 491 T C -0.360 174.177 174.700 -0.270 0.000 1.073 491 T CA -0.580 61.409 62.100 -0.185 0.000 0.999 491 T CB 1.515 70.331 68.868 -0.087 0.000 1.098 491 T HN -0.006 nan 8.240 nan 0.000 0.477 492 H N 0.747 119.768 119.070 -0.082 0.000 2.727 492 H HA 0.295 4.850 4.556 -0.001 0.000 0.312 492 H C 1.594 176.862 175.328 -0.101 0.000 1.204 492 H CA -0.310 55.691 56.048 -0.078 0.000 1.122 492 H CB -0.635 29.080 29.762 -0.079 0.000 1.453 492 H HN 0.276 nan 8.280 nan 0.000 0.514 493 V N -0.491 119.358 119.914 -0.109 0.000 2.380 493 V HA -0.299 3.820 4.120 -0.001 0.000 0.251 493 V C 1.496 177.332 176.094 -0.430 0.000 1.063 493 V CA 1.857 63.968 62.300 -0.315 0.000 1.055 493 V CB -0.497 30.986 31.823 -0.565 0.000 0.657 493 V HN 0.515 nan 8.190 nan 0.000 0.455 494 F N -0.384 119.530 119.950 -0.060 0.000 2.569 494 F HA 0.140 4.666 4.527 -0.001 0.000 0.295 494 F C 1.930 177.651 175.800 -0.131 0.000 1.115 494 F CA 0.853 58.798 58.000 -0.092 0.000 1.450 494 F CB -0.219 38.737 39.000 -0.073 0.000 1.107 494 F HN 0.160 nan 8.300 nan 0.000 0.563 495 N N 0.390 119.128 118.700 0.063 0.000 2.276 495 N HA 0.044 4.784 4.740 -0.001 0.000 0.212 495 N C 1.233 176.709 175.510 -0.057 0.000 1.127 495 N CA -0.011 53.043 53.050 0.007 0.000 0.834 495 N CB -0.157 38.379 38.487 0.080 0.000 1.014 495 N HN 0.007 nan 8.380 nan 0.000 0.491 496 R N -0.395 120.020 120.500 -0.142 0.000 2.338 496 R HA -0.222 4.117 4.340 -0.001 0.000 0.272 496 R C 0.047 176.561 176.300 0.356 0.000 1.180 496 R CA 1.468 57.544 56.100 -0.040 0.000 1.020 496 R CB -0.573 29.604 30.300 -0.206 0.000 0.885 496 R HN 0.394 nan 8.270 nan 0.000 0.488 497 F N 0.647 120.607 119.950 0.016 0.000 2.798 497 F HA 0.252 4.778 4.527 -0.001 0.000 0.333 497 F C -1.462 174.356 175.800 0.030 0.000 1.324 497 F CA -2.281 55.730 58.000 0.019 0.000 1.183 497 F CB 0.895 39.908 39.000 0.023 0.000 1.132 497 F HN -0.144 nan 8.300 nan 0.000 0.521 498 P HA -0.139 nan 4.420 nan 0.000 0.261 498 P C -0.045 177.319 177.300 0.106 0.000 1.277 498 P CA 1.258 64.415 63.100 0.094 0.000 0.748 498 P CB 0.154 31.862 31.700 0.012 0.000 1.062 499 E N -1.268 119.020 120.200 0.147 0.000 2.520 499 E HA 0.046 4.395 4.350 -0.001 0.000 0.201 499 E C 0.857 177.583 176.600 0.210 0.000 0.894 499 E CA -0.257 56.229 56.400 0.143 0.000 1.161 499 E CB -0.862 28.905 29.700 0.112 0.000 1.137 499 E HN 0.041 nan 8.360 nan 0.000 0.510 500 N N 2.581 121.429 118.700 0.247 0.000 2.374 500 N HA -0.107 4.633 4.740 -0.001 0.000 0.269 500 N C 0.497 176.151 175.510 0.240 0.000 1.310 500 N CA 0.245 53.480 53.050 0.308 0.000 0.877 500 N CB 0.640 39.287 38.487 0.267 0.000 1.096 500 N HN 0.090 nan 8.380 nan 0.000 0.484 501 Q N 2.842 122.802 119.800 0.267 0.000 2.368 501 Q HA -0.106 4.233 4.340 -0.001 0.000 0.210 501 Q C 1.096 177.272 176.000 0.293 0.000 0.982 501 Q CA 1.051 57.033 55.803 0.299 0.000 0.884 501 Q CB 0.170 29.149 28.738 0.402 0.000 0.933 501 Q HN 0.666 nan 8.270 nan 0.000 0.460 502 I N -0.538 120.078 120.570 0.077 0.000 3.284 502 I HA -0.146 4.023 4.170 -0.001 0.000 0.231 502 I C 1.909 178.035 176.117 0.015 0.000 1.041 502 I CA 0.484 61.762 61.300 -0.037 0.000 1.478 502 I CB -0.843 36.984 38.000 -0.289 0.000 1.340 502 I HN 0.020 nan 8.210 nan 0.000 0.449 503 L N 1.170 122.413 121.223 0.033 0.000 2.683 503 L HA -0.178 4.161 4.340 -0.001 0.000 0.236 503 L C 1.326 178.259 176.870 0.105 0.000 1.179 503 L CA 0.116 55.032 54.840 0.126 0.000 0.822 503 L CB -1.463 40.864 42.059 0.447 0.000 0.952 503 L HN 0.277 nan 8.230 nan 0.000 0.455 504 A N 0.745 123.638 122.820 0.121 0.000 2.407 504 A HA 0.083 4.403 4.320 -0.001 0.000 0.257 504 A C 0.832 178.439 177.584 0.038 0.000 1.131 504 A CA -0.084 52.011 52.037 0.096 0.000 0.803 504 A CB 0.040 19.114 19.000 0.122 0.000 1.083 504 A HN 0.357 nan 8.150 nan 0.000 0.512 505 R N 0.441 120.958 120.500 0.030 0.000 2.216 505 R HA 0.322 4.661 4.340 -0.001 0.000 0.332 505 R C -2.605 173.700 176.300 0.009 0.000 1.056 505 R CA -1.555 54.553 56.100 0.014 0.000 0.901 505 R CB 0.121 30.436 30.300 0.024 0.000 1.039 505 R HN 0.395 nan 8.270 nan 0.000 0.456 506 P HA -0.027 nan 4.420 nan 0.000 0.266 506 P C -2.493 174.787 177.300 -0.033 0.000 1.186 506 P CA -0.546 62.544 63.100 -0.017 0.000 0.767 506 P CB 0.135 31.824 31.700 -0.018 0.000 0.820 507 P HA 0.134 nan 4.420 nan 0.000 0.271 507 P C -0.752 176.522 177.300 -0.044 0.000 1.218 507 P CA 0.001 63.082 63.100 -0.030 0.000 0.780 507 P CB 0.445 32.131 31.700 -0.023 0.000 0.901 508 A N 4.889 127.682 122.820 -0.045 0.000 2.409 508 A HA 0.477 4.796 4.320 -0.001 0.000 0.262 508 A C -2.080 175.466 177.584 -0.063 0.000 1.113 508 A CA -1.337 50.660 52.037 -0.066 0.000 0.790 508 A CB -0.589 18.370 19.000 -0.068 0.000 1.046 508 A HN 0.407 nan 8.150 nan 0.000 0.496 509 P HA 0.249 nan 4.420 nan 0.000 0.282 509 P C -0.108 177.123 177.300 -0.116 0.000 1.249 509 P CA -0.118 62.935 63.100 -0.077 0.000 0.806 509 P CB 0.952 32.607 31.700 -0.075 0.000 0.984 510 T N -0.288 114.175 114.554 -0.151 0.000 2.919 510 T HA 0.352 4.702 4.350 -0.001 0.000 0.302 510 T C 0.522 175.112 174.700 -0.184 0.000 1.031 510 T CA -0.306 61.621 62.100 -0.289 0.000 1.127 510 T CB -0.483 68.162 68.868 -0.372 0.000 0.952 510 T HN 0.327 nan 8.240 nan 0.000 0.540 511 I N 0.975 121.442 120.570 -0.172 0.000 6.568 511 I HA -0.158 4.011 4.170 -0.001 0.000 0.126 511 I C 0.766 176.888 176.117 0.008 0.000 1.827 511 I CA 0.581 61.877 61.300 -0.007 0.000 2.037 511 I CB -2.208 35.809 38.000 0.028 0.000 3.509 511 I HN 1.126 nan 8.210 nan 0.000 0.169 512 T N 0.802 115.385 114.554 0.049 0.000 2.918 512 T HA 0.858 5.207 4.350 -0.001 0.000 0.283 512 T C 0.335 175.117 174.700 0.136 0.000 1.001 512 T CA -0.607 61.521 62.100 0.047 0.000 1.041 512 T CB 1.891 70.766 68.868 0.012 0.000 1.028 512 T HN 0.423 nan 8.240 nan 0.000 0.511 513 T N 0.888 115.497 114.554 0.092 0.000 2.912 513 T HA 0.674 5.023 4.350 -0.001 0.000 0.288 513 T C -0.855 173.929 174.700 0.140 0.000 1.030 513 T CA -0.701 61.471 62.100 0.121 0.000 1.020 513 T CB 1.618 70.513 68.868 0.047 0.000 1.056 513 T HN 0.614 nan 8.240 nan 0.000 0.480 514 V N 2.178 122.208 119.914 0.193 0.000 2.711 514 V HA 0.419 4.538 4.120 -0.001 0.000 0.304 514 V C 0.069 176.286 176.094 0.205 0.000 1.097 514 V CA -1.167 61.252 62.300 0.198 0.000 0.906 514 V CB 2.183 34.126 31.823 0.200 0.000 1.015 514 V HN 1.118 nan 8.190 nan 0.000 0.427 515 S N 3.322 119.164 115.700 0.237 0.000 2.549 515 S HA 0.446 4.916 4.470 -0.001 0.000 0.283 515 S C -0.370 174.360 174.600 0.216 0.000 1.320 515 S CA -0.152 58.178 58.200 0.217 0.000 1.058 515 S CB 1.042 64.369 63.200 0.210 0.000 0.882 515 S HN 0.884 nan 8.310 nan 0.000 0.498 516 E N 2.315 122.612 120.200 0.162 0.000 2.275 516 E HA 0.238 4.587 4.350 -0.001 0.000 0.270 516 E C -1.088 175.569 176.600 0.094 0.000 0.882 516 E CA -0.712 55.754 56.400 0.109 0.000 0.758 516 E CB 1.073 30.839 29.700 0.110 0.000 1.195 516 E HN 0.764 nan 8.360 nan 0.000 0.419 517 N N 2.312 121.060 118.700 0.080 0.000 2.529 517 N HA 0.277 5.017 4.740 -0.001 0.000 0.278 517 N C -1.282 174.296 175.510 0.112 0.000 1.146 517 N CA -0.002 53.104 53.050 0.094 0.000 0.980 517 N CB 1.896 40.432 38.487 0.081 0.000 1.124 517 N HN 0.253 nan 8.380 nan 0.000 0.458 518 V N 4.254 124.226 119.914 0.097 0.000 2.808 518 V HA 0.436 4.555 4.120 -0.001 0.000 0.308 518 V C -2.370 173.781 176.094 0.096 0.000 1.099 518 V CA -1.900 60.422 62.300 0.036 0.000 0.920 518 V CB 2.561 34.274 31.823 -0.183 0.000 1.014 518 V HN 0.545 nan 8.190 nan 0.000 0.425 519 P HA 0.292 nan 4.420 nan 0.000 0.268 519 P C -0.960 176.343 177.300 0.005 0.000 1.205 519 P CA -0.093 62.961 63.100 -0.078 0.000 0.771 519 P CB 1.321 32.828 31.700 -0.321 0.000 0.858 520 A N 4.590 127.458 122.820 0.079 0.000 2.323 520 A HA 0.417 4.736 4.320 -0.001 0.000 0.305 520 A C 0.040 177.677 177.584 0.089 0.000 1.275 520 A CA -0.751 51.337 52.037 0.085 0.000 0.804 520 A CB 0.170 19.250 19.000 0.135 0.000 1.152 520 A HN 0.525 nan 8.150 nan 0.000 0.487 521 L N 3.296 124.546 121.223 0.045 0.000 2.387 521 L HA 0.186 4.525 4.340 -0.001 0.000 0.267 521 L C 1.016 177.891 176.870 0.007 0.000 1.197 521 L CA -0.052 54.805 54.840 0.027 0.000 1.070 521 L CB 0.231 42.295 42.059 0.007 0.000 1.349 521 L HN 0.796 nan 8.230 nan 0.000 0.422 522 T N 0.734 115.292 114.554 0.007 0.000 2.824 522 T HA 0.183 4.533 4.350 -0.001 0.000 0.277 522 T C -0.607 173.976 174.700 -0.196 0.000 0.975 522 T CA -0.415 61.635 62.100 -0.083 0.000 0.966 522 T CB 1.126 69.956 68.868 -0.063 0.000 1.054 522 T HN 0.511 nan 8.240 nan 0.000 0.533 523 D N 0.816 121.009 120.400 -0.344 0.000 2.613 523 D HA 0.179 4.818 4.640 -0.001 0.000 0.230 523 D C -0.842 175.205 176.300 -0.422 0.000 1.365 523 D CA -0.411 53.402 54.000 -0.313 0.000 0.976 523 D CB 0.683 41.395 40.800 -0.148 0.000 1.415 523 D HN 0.600 nan 8.370 nan 0.000 0.589 524 H N 1.058 120.069 119.070 -0.100 0.000 2.505 524 H HA 0.504 5.060 4.556 -0.001 0.000 0.358 524 H C 0.963 176.248 175.328 -0.072 0.000 1.304 524 H CA -0.339 55.655 56.048 -0.091 0.000 1.393 524 H CB 1.093 30.767 29.762 -0.148 0.000 1.591 524 H HN 0.439 nan 8.280 nan 0.000 0.595 525 G N -0.350 108.489 108.800 0.065 0.000 2.535 525 G HA2 0.213 4.172 3.960 -0.001 0.000 0.282 525 G HA3 0.213 4.172 3.960 -0.001 0.000 0.282 525 G C -0.321 174.586 174.900 0.012 0.000 1.350 525 G CA -0.505 44.608 45.100 0.020 0.000 1.039 525 G HN 0.623 nan 8.290 nan 0.000 0.509 526 T N -0.941 113.616 114.554 0.005 0.000 2.901 526 T HA 0.519 4.868 4.350 -0.001 0.000 0.301 526 T C 0.018 174.721 174.700 0.005 0.000 1.012 526 T CA -0.195 61.908 62.100 0.005 0.000 1.135 526 T CB 0.661 69.535 68.868 0.009 0.000 0.936 526 T HN 0.283 nan 8.240 nan 0.000 0.539 527 L N 3.447 124.670 121.223 0.000 0.000 2.354 527 L HA 0.527 4.866 4.340 -0.001 0.000 0.264 527 L C -2.485 174.393 176.870 0.012 0.000 1.008 527 L CA -3.050 51.787 54.840 -0.004 0.000 0.819 527 L CB 2.464 44.504 42.059 -0.032 0.000 1.339 527 L HN 0.403 nan 8.230 nan 0.000 0.420 528 P HA 0.231 nan 4.420 nan 0.000 0.269 528 P C -1.032 176.292 177.300 0.039 0.000 1.209 528 P CA 0.035 63.159 63.100 0.040 0.000 0.776 528 P CB 0.607 32.319 31.700 0.019 0.000 0.876 529 L N 2.084 123.355 121.223 0.081 0.000 2.286 529 L HA 0.559 4.898 4.340 -0.001 0.000 0.265 529 L C 0.812 177.718 176.870 0.060 0.000 1.012 529 L CA -1.153 53.716 54.840 0.048 0.000 0.818 529 L CB 1.434 43.519 42.059 0.043 0.000 1.337 529 L HN 0.208 nan 8.230 nan 0.000 0.438 530 R N 0.464 120.971 120.500 0.012 0.000 2.459 530 R HA 0.209 4.549 4.340 -0.001 0.000 0.281 530 R C -0.100 176.198 176.300 -0.004 0.000 1.050 530 R CA -0.601 55.510 56.100 0.019 0.000 1.055 530 R CB 0.589 30.883 30.300 -0.009 0.000 1.045 530 R HN 0.493 nan 8.270 nan 0.000 0.495 531 N N -0.099 118.616 118.700 0.025 0.000 2.515 531 N HA -0.065 4.674 4.740 -0.001 0.000 0.191 531 N C -0.654 174.811 175.510 -0.075 0.000 1.182 531 N CA 0.287 53.321 53.050 -0.026 0.000 0.879 531 N CB 0.385 38.910 38.487 0.062 0.000 0.984 531 N HN 0.447 nan 8.380 nan 0.000 0.453 532 S N -0.245 115.421 115.700 -0.058 0.000 2.620 532 S HA 0.418 4.887 4.470 -0.001 0.000 0.244 532 S C -0.570 173.994 174.600 -0.060 0.000 1.192 532 S CA -0.842 57.324 58.200 -0.057 0.000 1.148 532 S CB 0.177 63.359 63.200 -0.030 0.000 1.106 532 S HN 0.035 nan 8.310 nan 0.000 0.474 533 I N 3.160 123.681 120.570 -0.080 0.000 2.337 533 I HA 0.390 4.559 4.170 -0.001 0.000 0.291 533 I C 1.296 177.378 176.117 -0.059 0.000 1.046 533 I CA -0.392 60.861 61.300 -0.078 0.000 1.324 533 I CB 0.725 38.662 38.000 -0.105 0.000 1.409 533 I HN 0.843 nan 8.210 nan 0.000 0.494 534 G N 3.931 112.699 108.800 -0.053 0.000 2.554 534 G HA2 0.177 4.137 3.960 -0.001 0.000 0.238 534 G HA3 0.177 4.137 3.960 -0.001 0.000 0.238 534 G C 1.092 175.968 174.900 -0.040 0.000 1.259 534 G CA 0.000 45.075 45.100 -0.041 0.000 0.843 534 G HN 0.884 nan 8.290 nan 0.000 0.582 535 G N -0.334 108.450 108.800 -0.027 0.000 2.442 535 G HA2 0.079 4.038 3.960 -0.001 0.000 0.219 535 G HA3 0.079 4.038 3.960 -0.001 0.000 0.219 535 G C 0.802 175.688 174.900 -0.024 0.000 1.141 535 G CA 1.488 46.575 45.100 -0.022 0.000 0.763 535 G HN 1.429 nan 8.290 nan 0.000 0.554 536 V N -2.244 117.656 119.914 -0.024 0.000 2.409 536 V HA 0.662 4.781 4.120 -0.001 0.000 0.291 536 V C -1.035 175.030 176.094 -0.050 0.000 1.020 536 V CA -1.274 61.011 62.300 -0.024 0.000 0.848 536 V CB 1.769 33.587 31.823 -0.008 0.000 0.990 536 V HN 0.036 nan 8.190 nan 0.000 0.430 537 Q N 3.118 122.877 119.800 -0.068 0.000 2.257 537 Q HA 0.564 4.903 4.340 -0.001 0.000 0.262 537 Q C -0.700 175.206 176.000 -0.156 0.000 0.997 537 Q CA -0.581 55.156 55.803 -0.112 0.000 0.873 537 Q CB 2.793 31.462 28.738 -0.115 0.000 1.312 537 Q HN 0.931 nan 8.270 nan 0.000 0.450 538 R N 0.653 121.029 120.500 -0.206 0.000 2.387 538 R HA 0.547 4.887 4.340 -0.001 0.000 0.314 538 R C -1.193 174.901 176.300 -0.343 0.000 0.958 538 R CA -0.348 55.595 56.100 -0.262 0.000 0.846 538 R CB 0.950 31.112 30.300 -0.231 0.000 1.147 538 R HN 0.334 nan 8.270 nan 0.000 0.447 539 V N 3.440 123.048 119.914 -0.509 0.000 2.547 539 V HA 0.525 4.644 4.120 -0.001 0.000 0.299 539 V C -0.335 175.578 176.094 -0.301 0.000 1.040 539 V CA -0.409 61.613 62.300 -0.463 0.000 0.913 539 V CB 2.075 33.425 31.823 -0.788 0.000 0.992 539 V HN 0.857 nan 8.190 nan 0.000 0.449 540 T N 5.430 119.936 114.554 -0.079 0.000 3.293 540 T HA 0.504 4.854 4.350 -0.001 0.000 0.320 540 T C -0.726 173.969 174.700 -0.009 0.000 0.995 540 T CA -0.187 61.920 62.100 0.011 0.000 1.041 540 T CB 0.701 69.644 68.868 0.124 0.000 1.058 540 T HN 0.386 nan 8.240 nan 0.000 0.453 541 I N 3.615 124.123 120.570 -0.103 0.000 2.321 541 I HA 0.440 4.609 4.170 -0.001 0.000 0.291 541 I C 0.513 176.562 176.117 -0.113 0.000 0.998 541 I CA -0.436 60.706 61.300 -0.265 0.000 1.227 541 I CB 1.621 39.338 38.000 -0.471 0.000 1.368 541 I HN 0.507 nan 8.210 nan 0.000 0.466 542 T N 3.682 118.190 114.554 -0.076 0.000 2.940 542 T HA 0.375 4.724 4.350 -0.001 0.000 0.288 542 T C -0.549 174.105 174.700 -0.076 0.000 1.045 542 T CA -0.746 61.323 62.100 -0.053 0.000 1.018 542 T CB 1.990 70.829 68.868 -0.050 0.000 1.151 542 T HN 0.661 nan 8.240 nan 0.000 0.529 543 D N -0.598 119.754 120.400 -0.080 0.000 0.000 543 D HA 0.501 5.140 4.640 -0.001 0.000 0.000 543 D C 1.480 177.634 176.300 -0.243 0.000 0.000 543 D CA -0.547 53.404 54.000 -0.083 0.000 0.000 543 D CB 1.120 41.950 40.800 0.049 0.000 0.000 543 D HN 0.503 nan 8.370 nan 0.000 0.000 544 A N 0.473 123.185 122.820 -0.181 0.000 1.915 544 A HA -0.266 4.053 4.320 -0.001 0.000 0.220 544 A C 2.056 179.531 177.584 -0.182 0.000 1.198 544 A CA 1.776 53.698 52.037 -0.191 0.000 0.647 544 A CB -0.707 18.261 19.000 -0.053 0.000 0.825 544 A HN 0.643 nan 8.150 nan 0.000 0.456 545 R N -1.886 118.540 120.500 -0.123 0.000 2.310 545 R HA 0.120 4.459 4.340 -0.001 0.000 0.202 545 R C -0.416 175.841 176.300 -0.072 0.000 0.933 545 R CA -0.062 55.995 56.100 -0.072 0.000 1.054 545 R CB 0.225 30.496 30.300 -0.048 0.000 0.985 545 R HN 0.299 nan 8.270 nan 0.000 0.489 546 R N 1.168 121.595 120.500 -0.122 0.000 2.598 546 R HA -0.127 4.212 4.340 -0.001 0.000 0.323 546 R C -1.046 175.231 176.300 -0.039 0.000 0.993 546 R CA 0.697 56.739 56.100 -0.098 0.000 0.724 546 R CB -1.697 28.558 30.300 -0.074 0.000 2.060 546 R HN 0.630 nan 8.270 nan 0.000 0.470 547 R N -2.064 118.428 120.500 -0.014 0.000 2.644 547 R HA 0.290 4.630 4.340 -0.001 0.000 0.257 547 R C -0.215 176.094 176.300 0.015 0.000 1.082 547 R CA -0.517 55.593 56.100 0.015 0.000 0.927 547 R CB 0.592 30.933 30.300 0.070 0.000 1.258 547 R HN 0.254 nan 8.270 nan 0.000 0.459 548 T N -1.010 113.530 114.554 -0.023 0.000 2.854 548 T HA -0.005 4.344 4.350 -0.001 0.000 0.336 548 T C 0.299 174.925 174.700 -0.124 0.000 1.095 548 T CA -0.230 61.837 62.100 -0.054 0.000 1.118 548 T CB 0.674 69.503 68.868 -0.066 0.000 1.025 548 T HN 0.707 nan 8.240 nan 0.000 0.549 549 C N 5.689 124.909 119.300 -0.134 0.000 2.291 549 C HA 0.553 5.012 4.460 -0.001 0.000 0.322 549 C C -1.277 173.551 174.990 -0.271 0.000 1.205 549 C CA -1.853 57.035 59.018 -0.217 0.000 1.495 549 C CB 0.146 27.904 27.740 0.032 0.000 2.127 549 C HN 0.807 nan 8.230 nan 0.000 0.452 550 P HA -0.142 nan 4.420 nan 0.000 0.218 550 P C 0.198 177.192 177.300 -0.512 0.000 1.146 550 P CA 1.562 64.342 63.100 -0.534 0.000 0.820 550 P CB -0.108 31.137 31.700 -0.759 0.000 0.778 551 Y N -1.502 118.702 120.300 -0.160 0.000 2.471 551 Y HA 0.105 4.655 4.550 -0.001 0.000 0.321 551 Y C 0.675 176.559 175.900 -0.025 0.000 1.195 551 Y CA -0.374 57.688 58.100 -0.063 0.000 1.272 551 Y CB -0.598 37.859 38.460 -0.005 0.000 1.097 551 Y HN -0.257 nan 8.280 nan 0.000 0.507 552 V N 0.653 120.591 119.914 0.040 0.000 2.383 552 V HA -0.016 4.103 4.120 -0.001 0.000 0.275 552 V C 0.451 176.625 176.094 0.134 0.000 1.036 552 V CA -0.614 61.733 62.300 0.078 0.000 0.889 552 V CB 0.769 32.622 31.823 0.049 0.000 0.985 552 V HN 0.331 nan 8.190 nan 0.000 0.459 553 Y N 4.768 125.097 120.300 0.048 0.000 2.479 553 Y HA 0.429 4.978 4.550 -0.001 0.000 0.283 553 Y C 0.700 176.761 175.900 0.268 0.000 1.109 553 Y CA 0.342 58.520 58.100 0.132 0.000 1.239 553 Y CB 0.461 38.914 38.460 -0.010 0.000 1.108 553 Y HN 0.510 nan 8.280 nan 0.000 0.548 554 K N 1.270 121.542 120.400 -0.214 0.000 2.535 554 K HA 0.703 5.022 4.320 -0.001 0.000 0.251 554 K C -1.984 174.558 176.600 -0.096 0.000 0.942 554 K CA -0.338 55.717 56.287 -0.386 0.000 0.798 554 K CB 1.669 33.887 32.500 -0.470 0.000 1.267 554 K HN 0.165 nan 8.250 nan 0.000 0.434 555 A N 3.526 126.278 122.820 -0.113 0.000 2.455 555 A HA 0.847 5.166 4.320 -0.001 0.000 0.300 555 A C -1.833 175.876 177.584 0.207 0.000 1.040 555 A CA -0.611 51.523 52.037 0.161 0.000 0.697 555 A CB 0.709 19.835 19.000 0.210 0.000 1.265 555 A HN 0.958 nan 8.150 nan 0.000 0.407 556 L N -0.784 120.622 121.223 0.307 0.000 2.672 556 L HA 0.965 5.304 4.340 -0.001 0.000 0.256 556 L C -0.368 176.597 176.870 0.158 0.000 0.946 556 L CA 0.003 54.981 54.840 0.229 0.000 0.889 556 L CB 1.169 43.290 42.059 0.103 0.000 1.441 556 L HN 1.352 nan 8.230 nan 0.000 0.418 557 G N 1.156 110.012 108.800 0.094 0.000 2.672 557 G HA2 0.819 4.778 3.960 -0.001 0.000 0.292 557 G HA3 0.819 4.778 3.960 -0.001 0.000 0.292 557 G C -1.622 173.285 174.900 0.012 0.000 1.375 557 G CA -0.854 44.234 45.100 -0.020 0.000 0.890 557 G HN 0.721 nan 8.290 nan 0.000 0.476 558 I N 0.803 121.355 120.570 -0.029 0.000 2.436 558 I HA 0.409 4.578 4.170 -0.001 0.000 0.289 558 I C -0.571 175.469 176.117 -0.128 0.000 1.010 558 I CA -0.976 60.289 61.300 -0.058 0.000 1.098 558 I CB 2.187 40.182 38.000 -0.008 0.000 1.266 558 I HN 0.064 nan 8.210 nan 0.000 0.434 559 V N 4.579 124.382 119.914 -0.185 0.000 2.555 559 V HA 0.442 4.561 4.120 -0.001 0.000 0.302 559 V C -0.190 175.799 176.094 -0.174 0.000 1.038 559 V CA -0.506 61.701 62.300 -0.156 0.000 0.887 559 V CB 1.961 33.699 31.823 -0.141 0.000 0.991 559 V HN 0.806 nan 8.190 nan 0.000 0.434 560 S N 5.800 121.435 115.700 -0.109 0.000 2.542 560 S HA 0.433 4.903 4.470 -0.001 0.000 0.245 560 S C -2.581 172.012 174.600 -0.012 0.000 1.325 560 S CA -1.219 56.933 58.200 -0.081 0.000 1.176 560 S CB 1.083 64.246 63.200 -0.062 0.000 1.045 560 S HN 0.636 nan 8.310 nan 0.000 0.481 561 P HA 0.328 nan 4.420 nan 0.000 0.272 561 P C -0.516 176.951 177.300 0.279 0.000 1.230 561 P CA -0.362 62.813 63.100 0.125 0.000 0.788 561 P CB 0.601 32.310 31.700 0.014 0.000 0.949 562 R N -0.600 120.159 120.500 0.432 0.000 2.687 562 R HA 0.421 4.760 4.340 -0.001 0.000 0.265 562 R C -1.293 175.018 176.300 0.017 0.000 1.048 562 R CA -1.002 55.271 56.100 0.290 0.000 0.884 562 R CB 0.041 30.406 30.300 0.109 0.000 1.258 562 R HN 0.089 nan 8.270 nan 0.000 0.469 563 V N 2.650 122.304 119.914 -0.433 0.000 2.999 563 V HA 0.035 4.154 4.120 -0.001 0.000 0.307 563 V C 1.065 176.976 176.094 -0.305 0.000 1.084 563 V CA 0.322 62.216 62.300 -0.676 0.000 1.155 563 V CB 0.669 32.095 31.823 -0.662 0.000 0.975 563 V HN 0.721 nan 8.190 nan 0.000 0.490 564 L N 1.772 122.834 121.223 -0.269 0.000 3.017 564 L HA 0.310 4.650 4.340 -0.001 0.000 0.265 564 L C 0.474 177.291 176.870 -0.089 0.000 1.128 564 L CA 0.630 55.399 54.840 -0.118 0.000 0.984 564 L CB 0.931 42.966 42.059 -0.040 0.000 1.464 564 L HN 0.921 nan 8.230 nan 0.000 0.556 565 S N -1.070 114.560 115.700 -0.115 0.000 2.690 565 S HA 0.377 4.846 4.470 -0.001 0.000 0.264 565 S C -0.955 173.575 174.600 -0.116 0.000 1.040 565 S CA -0.414 57.743 58.200 -0.071 0.000 0.869 565 S CB 0.975 64.187 63.200 0.020 0.000 1.132 565 S HN 0.052 nan 8.310 nan 0.000 0.474 566 S N 0.027 115.667 115.700 -0.100 0.000 2.677 566 S HA 0.846 5.315 4.470 -0.001 0.000 0.304 566 S C -0.308 174.199 174.600 -0.155 0.000 1.108 566 S CA -1.215 56.888 58.200 -0.162 0.000 0.944 566 S CB 1.355 64.475 63.200 -0.132 0.000 1.127 566 S HN 0.911 nan 8.310 nan 0.000 0.511 567 R N 0.000 120.375 120.500 -0.208 0.000 2.786 567 R HA 0.000 4.339 4.340 -0.001 0.000 0.208 567 R CA 0.000 56.014 56.100 -0.144 0.000 0.921 567 R CB 0.000 30.187 30.300 -0.188 0.000 0.687 567 R HN 0.000 nan 8.270 nan 0.000 0.535