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 2z7x_1_B DATA FIRST_RESID 25 DATA SEQUENCE SEFLVDRSKN GLIHVPKDLS QKTTILNISQ NYISELWTSD ILSLSKLRIL DATA SEQUENCE IISHNRIQYL DISVFKFNQE LEYLDLSHNK LVKIScHPTV NLKHLDLSFN DATA SEQUENCE AFDALPIcKE FGNMSQLKFL GLSTTHLEKS SVLPIAHLNI SKVLLVLGET DATA SEQUENCE YGEKEDPEGL QDFNTESLHI VFPTNKEFHF ILDVSVKTVA NLELSNIKcV DATA SEQUENCE LEDNKcSYFL SILAKLQTNP KLSNLTLNNI ETTWNSFIRI LQLVWHTTVW DATA SEQUENCE YFSISNVKLQ GQLDFRDFDY SGTSLKALSI HQVVSDVFGF PQSYIYEIFS DATA SEQUENCE NMNIKNFTVS GTRMVHMLcP SKISPFLHLD FSNNLLTDTV FENcGHLTEL DATA SEQUENCE ETLILQMNQL KELSKIAEMT TQMKSLQQLD ISQNSVSYDE KKGDcSWTKS DATA SEQUENCE LLSLNMSSNI LTDTIFRcLP PRIKVLDLHS NKIKSIPKQV VKLEALQELN DATA SEQUENCE VASNQLKSVP DGIFDRLTSL QKIWLHTNPW DcSCPRIDYL SRWLNKNSQK DATA SEQUENCE EQGSAKcSGS GKPVRSIICP 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 25 S HA 0.000 nan 4.470 nan 0.000 0.327 25 S C 0.000 174.646 174.600 0.077 0.000 1.055 25 S CA 0.000 58.232 58.200 0.053 0.000 1.107 25 S CB 0.000 63.229 63.200 0.049 0.000 0.593 26 E N 1.794 122.031 120.200 0.060 0.000 2.129 26 E HA 0.560 4.927 4.350 0.029 0.000 0.283 26 E C -1.159 175.501 176.600 0.100 0.000 1.080 26 E CA -0.213 56.222 56.400 0.060 0.000 0.867 26 E CB 0.297 30.001 29.700 0.006 0.000 1.056 26 E HN 0.522 nan 8.360 nan 0.000 0.404 27 F N 5.820 125.762 119.950 -0.014 0.000 2.444 27 F HA 0.415 4.960 4.527 0.029 0.000 0.342 27 F C -1.259 174.533 175.800 -0.014 0.000 1.121 27 F CA -1.033 56.961 58.000 -0.011 0.000 0.997 27 F CB 0.876 39.875 39.000 -0.003 0.000 1.130 27 F HN 0.330 nan 8.300 nan 0.000 0.454 28 L N 7.555 128.542 121.223 -0.393 0.000 2.365 28 L HA 0.712 5.069 4.340 0.029 0.000 0.273 28 L C -1.807 174.912 176.870 -0.251 0.000 1.000 28 L CA -0.731 53.981 54.840 -0.212 0.000 0.819 28 L CB 1.864 43.813 42.059 -0.184 0.000 1.284 28 L HN 0.409 nan 8.230 nan 0.000 0.418 29 V N 4.010 123.895 119.914 -0.048 0.000 2.380 29 V HA 0.290 4.427 4.120 0.029 0.000 0.286 29 V C -0.892 175.201 176.094 -0.001 0.000 1.015 29 V CA -0.626 61.676 62.300 0.003 0.000 0.834 29 V CB 1.628 33.526 31.823 0.125 0.000 1.009 29 V HN 0.797 nan 8.190 nan 0.000 0.428 30 D N 4.450 124.835 120.400 -0.025 0.000 2.441 30 D HA 0.425 5.082 4.640 0.029 0.000 0.231 30 D C 0.495 176.791 176.300 -0.006 0.000 1.073 30 D CA -0.521 53.468 54.000 -0.019 0.000 0.850 30 D CB 0.918 41.694 40.800 -0.041 0.000 1.062 30 D HN 0.279 nan 8.370 nan 0.000 0.524 31 R N 2.489 122.994 120.500 0.008 0.000 2.700 31 R HA 0.184 4.542 4.340 0.029 0.000 0.399 31 R C 0.026 176.325 176.300 -0.001 0.000 1.115 31 R CA -0.353 55.754 56.100 0.012 0.000 1.058 31 R CB -0.124 30.196 30.300 0.033 0.000 1.389 31 R HN 0.509 nan 8.270 nan 0.000 0.582 32 S N 0.503 116.195 115.700 -0.013 0.000 2.585 32 S HA 0.180 4.667 4.470 0.029 0.000 0.273 32 S C 0.362 174.933 174.600 -0.049 0.000 1.339 32 S CA -0.466 57.717 58.200 -0.029 0.000 1.028 32 S CB 1.158 64.340 63.200 -0.029 0.000 0.906 32 S HN 0.347 nan 8.310 nan 0.000 0.528 33 K N 0.330 120.683 120.400 -0.079 0.000 3.069 33 K HA -0.186 4.152 4.320 0.029 0.000 0.267 33 K C -0.347 176.213 176.600 -0.068 0.000 1.082 33 K CA 0.957 57.186 56.287 -0.096 0.000 0.782 33 K CB -2.034 30.418 32.500 -0.080 0.000 1.230 33 K HN 0.624 nan 8.250 nan 0.000 0.488 34 N N -0.145 118.520 118.700 -0.057 0.000 2.280 34 N HA 0.119 4.876 4.740 0.029 0.000 0.192 34 N C 1.004 176.514 175.510 0.001 0.000 1.109 34 N CA 0.860 53.899 53.050 -0.017 0.000 0.855 34 N CB 1.102 39.590 38.487 0.002 0.000 0.974 34 N HN 0.482 nan 8.380 nan 0.000 0.482 35 G N 0.591 109.361 108.800 -0.052 0.000 2.179 35 G HA2 -0.287 3.691 3.960 0.029 0.000 0.257 35 G HA3 -0.287 3.691 3.960 0.029 0.000 0.257 35 G C -0.149 174.841 174.900 0.151 0.000 1.010 35 G CA -0.060 45.072 45.100 0.054 0.000 0.736 35 G HN 0.273 nan 8.290 nan 0.000 0.513 36 L N 0.132 121.384 121.223 0.048 0.000 2.453 36 L HA 0.304 4.661 4.340 0.029 0.000 0.272 36 L C 2.127 179.049 176.870 0.086 0.000 1.182 36 L CA 0.257 55.140 54.840 0.072 0.000 0.858 36 L CB 0.524 42.616 42.059 0.054 0.000 1.120 36 L HN 0.356 nan 8.230 nan 0.000 0.474 37 I N -1.844 118.727 120.570 0.002 0.000 3.941 37 I HA 0.209 4.396 4.170 0.029 0.000 0.321 37 I C 0.310 176.214 176.117 -0.354 0.000 1.284 37 I CA -0.011 61.190 61.300 -0.165 0.000 1.226 37 I CB 0.097 37.903 38.000 -0.323 0.000 1.045 37 I HN 0.486 nan 8.210 nan 0.000 0.420 38 H N 0.881 120.027 119.070 0.127 0.000 2.895 38 H HA 0.420 4.993 4.556 0.029 0.000 0.373 38 H C -0.650 174.750 175.328 0.120 0.000 1.174 38 H CA -0.927 55.201 56.048 0.134 0.000 1.144 38 H CB 2.588 32.430 29.762 0.133 0.000 1.793 38 H HN -0.208 nan 8.280 nan 0.000 0.551 39 V N 5.031 125.103 119.914 0.264 0.000 2.509 39 V HA -0.013 4.124 4.120 0.029 0.000 0.297 39 V C -1.645 174.552 176.094 0.171 0.000 1.014 39 V CA -0.749 61.663 62.300 0.187 0.000 1.127 39 V CB -0.072 31.859 31.823 0.181 0.000 0.925 39 V HN 0.554 nan 8.190 nan 0.000 0.480 40 P HA 0.090 nan 4.420 nan 0.000 0.263 40 P C -0.428 176.935 177.300 0.104 0.000 1.195 40 P CA 0.066 63.235 63.100 0.116 0.000 0.762 40 P CB 0.633 32.390 31.700 0.096 0.000 0.799 41 K N 1.718 122.172 120.400 0.089 0.000 2.177 41 K HA 0.203 4.541 4.320 0.029 0.000 0.238 41 K C 0.074 176.708 176.600 0.056 0.000 1.015 41 K CA -0.570 55.759 56.287 0.070 0.000 0.922 41 K CB 0.152 32.683 32.500 0.051 0.000 1.127 41 K HN 0.383 nan 8.250 nan 0.000 0.469 42 D N 0.598 121.023 120.400 0.042 0.000 2.828 42 D HA -0.178 4.479 4.640 0.029 0.000 0.241 42 D C -0.747 175.577 176.300 0.041 0.000 1.142 42 D CA 0.770 54.789 54.000 0.032 0.000 0.755 42 D CB -1.339 39.478 40.800 0.027 0.000 1.014 42 D HN 0.281 nan 8.370 nan 0.000 0.420 43 L N -0.323 120.926 121.223 0.043 0.000 2.322 43 L HA 0.459 4.816 4.340 0.029 0.000 0.269 43 L C 1.077 177.953 176.870 0.009 0.000 1.012 43 L CA -1.054 53.820 54.840 0.057 0.000 0.815 43 L CB 1.764 43.875 42.059 0.087 0.000 1.295 43 L HN 0.104 nan 8.230 nan 0.000 0.438 44 S N 0.408 116.093 115.700 -0.024 0.000 2.552 44 S HA -0.031 4.456 4.470 0.029 0.000 0.289 44 S C 0.743 175.226 174.600 -0.195 0.000 1.304 44 S CA -0.037 58.047 58.200 -0.193 0.000 1.063 44 S CB 0.576 63.454 63.200 -0.536 0.000 0.848 44 S HN 0.673 nan 8.310 nan 0.000 0.499 45 Q N 2.775 122.470 119.800 -0.175 0.000 2.515 45 Q HA 0.038 4.395 4.340 0.029 0.000 0.212 45 Q C 1.453 177.357 176.000 -0.160 0.000 0.970 45 Q CA 0.639 56.371 55.803 -0.120 0.000 0.941 45 Q CB 0.075 28.762 28.738 -0.085 0.000 0.998 45 Q HN 0.666 nan 8.270 nan 0.000 0.518 46 K N -0.160 120.043 120.400 -0.329 0.000 2.314 46 K HA 0.050 4.387 4.320 0.029 0.000 0.198 46 K C 0.363 176.857 176.600 -0.177 0.000 1.045 46 K CA 0.231 56.314 56.287 -0.341 0.000 0.988 46 K CB 0.393 32.496 32.500 -0.661 0.000 0.783 46 K HN 0.034 nan 8.250 nan 0.000 0.484 47 T N 1.835 116.305 114.554 -0.141 0.000 2.718 47 T HA -0.087 4.280 4.350 0.029 0.000 0.265 47 T C 1.201 175.986 174.700 0.141 0.000 1.014 47 T CA 0.835 63.050 62.100 0.191 0.000 1.172 47 T CB 0.543 69.517 68.868 0.177 0.000 1.007 47 T HN 0.412 nan 8.240 nan 0.000 0.500 48 T N 0.154 114.812 114.554 0.173 0.000 2.955 48 T HA 0.373 4.741 4.350 0.029 0.000 0.251 48 T C 0.447 175.185 174.700 0.064 0.000 1.002 48 T CA -0.150 62.008 62.100 0.097 0.000 0.970 48 T CB 0.265 69.182 68.868 0.082 0.000 1.091 48 T HN 0.533 nan 8.240 nan 0.000 0.495 49 I N 1.854 122.465 120.570 0.070 0.000 2.500 49 I HA 0.520 4.707 4.170 0.029 0.000 0.286 49 I C -1.776 174.367 176.117 0.043 0.000 1.063 49 I CA -1.207 60.104 61.300 0.018 0.000 1.062 49 I CB 2.548 40.523 38.000 -0.042 0.000 1.223 49 I HN 0.057 nan 8.210 nan 0.000 0.435 50 L N 7.137 128.391 121.223 0.052 0.000 2.325 50 L HA 0.583 4.941 4.340 0.029 0.000 0.281 50 L C -0.862 176.039 176.870 0.052 0.000 1.004 50 L CA -0.059 54.822 54.840 0.068 0.000 0.823 50 L CB 1.411 43.530 42.059 0.100 0.000 1.236 50 L HN 0.498 nan 8.230 nan 0.000 0.415 51 N N 5.712 124.434 118.700 0.036 0.000 2.569 51 N HA 0.351 5.108 4.740 0.029 0.000 0.254 51 N C -0.451 175.079 175.510 0.035 0.000 1.004 51 N CA -0.451 52.616 53.050 0.029 0.000 0.904 51 N CB 0.704 39.190 38.487 -0.002 0.000 1.165 51 N HN 0.698 nan 8.380 nan 0.000 0.513 52 I N 0.298 120.900 120.570 0.052 0.000 3.531 52 I HA 0.358 4.545 4.170 0.029 0.000 0.341 52 I C 0.522 176.661 176.117 0.038 0.000 1.550 52 I CA -0.639 60.687 61.300 0.045 0.000 1.087 52 I CB 0.295 38.334 38.000 0.065 0.000 1.408 52 I HN 0.151 nan 8.210 nan 0.000 0.484 53 S N 1.513 117.237 115.700 0.040 0.000 2.584 53 S HA 0.128 4.615 4.470 0.029 0.000 0.270 53 S C 0.589 175.193 174.600 0.006 0.000 1.346 53 S CA 0.402 58.636 58.200 0.056 0.000 1.018 53 S CB 0.279 63.525 63.200 0.077 0.000 0.899 53 S HN 0.672 nan 8.310 nan 0.000 0.542 54 Q N 1.064 120.879 119.800 0.025 0.000 2.454 54 Q HA -0.228 4.129 4.340 0.029 0.000 0.341 54 Q C -0.625 175.257 176.000 -0.197 0.000 1.437 54 Q CA 0.764 56.520 55.803 -0.078 0.000 0.935 54 Q CB -1.783 26.872 28.738 -0.139 0.000 1.164 54 Q HN 0.721 nan 8.270 nan 0.000 0.373 55 N N -1.375 117.194 118.700 -0.218 0.000 3.513 55 N HA 0.544 5.301 4.740 0.029 0.000 0.351 55 N C -0.809 174.417 175.510 -0.473 0.000 1.624 55 N CA -0.718 52.105 53.050 -0.378 0.000 0.712 55 N CB 0.784 39.185 38.487 -0.144 0.000 2.106 55 N HN 0.208 nan 8.380 nan 0.000 0.649 56 Y N 0.235 120.540 120.300 0.009 0.000 2.713 56 Y HA 0.480 5.047 4.550 0.029 0.000 0.269 56 Y C -0.449 175.443 175.900 -0.015 0.000 1.106 56 Y CA -0.467 57.630 58.100 -0.004 0.000 1.174 56 Y CB 0.245 38.691 38.460 -0.023 0.000 1.186 56 Y HN 0.134 nan 8.280 nan 0.000 0.555 57 I N 1.124 121.750 120.570 0.094 0.000 2.588 57 I HA -0.022 4.166 4.170 0.029 0.000 0.283 57 I C 1.077 177.239 176.117 0.075 0.000 1.119 57 I CA 0.583 61.930 61.300 0.078 0.000 1.419 57 I CB 1.196 39.242 38.000 0.077 0.000 1.394 57 I HN 0.275 nan 8.210 nan 0.000 0.562 58 S N 3.223 118.965 115.700 0.070 0.000 2.578 58 S HA 0.325 4.813 4.470 0.029 0.000 0.228 58 S C 0.163 174.769 174.600 0.011 0.000 1.022 58 S CA -0.497 57.734 58.200 0.051 0.000 0.967 58 S CB 0.269 63.506 63.200 0.061 0.000 0.914 58 S HN 0.703 nan 8.310 nan 0.000 0.515 59 E N 0.445 120.640 120.200 -0.008 0.000 2.390 59 E HA 0.520 4.887 4.350 0.029 0.000 0.277 59 E C -1.994 174.485 176.600 -0.202 0.000 0.939 59 E CA -0.709 55.582 56.400 -0.182 0.000 0.769 59 E CB 2.266 31.766 29.700 -0.334 0.000 1.251 59 E HN 0.092 nan 8.360 nan 0.000 0.450 60 L N 2.690 123.706 121.223 -0.345 0.000 2.377 60 L HA 0.467 4.824 4.340 0.029 0.000 0.270 60 L C -1.651 175.027 176.870 -0.319 0.000 0.991 60 L CA -0.544 54.167 54.840 -0.213 0.000 0.851 60 L CB 0.608 42.580 42.059 -0.145 0.000 1.218 60 L HN 0.615 nan 8.230 nan 0.000 0.420 61 W N 3.287 124.586 121.300 -0.000 0.000 2.448 61 W HA 0.361 5.038 4.660 0.029 0.000 0.339 61 W C 1.581 178.083 176.519 -0.029 0.000 1.124 61 W CA -0.502 56.837 57.345 -0.010 0.000 1.262 61 W CB 1.312 30.783 29.460 0.018 0.000 1.251 61 W HN 0.458 nan 8.180 nan 0.000 0.597 62 T N 0.240 114.940 114.554 0.243 0.000 2.759 62 T HA -0.249 4.118 4.350 0.029 0.000 0.269 62 T C 1.915 176.740 174.700 0.208 0.000 1.042 62 T CA 2.122 64.316 62.100 0.156 0.000 1.140 62 T CB -0.426 68.539 68.868 0.162 0.000 0.864 62 T HN 0.559 nan 8.240 nan 0.000 0.455 63 S N 1.446 117.273 115.700 0.211 0.000 2.507 63 S HA -0.104 4.384 4.470 0.029 0.000 0.235 63 S C 1.399 176.079 174.600 0.133 0.000 0.988 63 S CA 0.724 59.005 58.200 0.136 0.000 0.944 63 S CB -0.256 62.976 63.200 0.053 0.000 0.762 63 S HN 0.371 nan 8.310 nan 0.000 0.526 64 D N 2.074 122.586 120.400 0.186 0.000 2.234 64 D HA 0.080 4.737 4.640 0.029 0.000 0.205 64 D C 1.714 178.099 176.300 0.142 0.000 0.962 64 D CA 1.288 55.389 54.000 0.167 0.000 0.855 64 D CB -0.024 40.898 40.800 0.203 0.000 0.951 64 D HN 0.772 nan 8.370 nan 0.000 0.500 65 I N -2.186 118.476 120.570 0.152 0.000 4.338 65 I HA 0.117 4.304 4.170 0.029 0.000 0.329 65 I C 1.484 177.704 176.117 0.171 0.000 1.378 65 I CA -0.224 61.172 61.300 0.159 0.000 1.170 65 I CB 0.023 38.138 38.000 0.192 0.000 1.206 65 I HN -0.232 nan 8.210 nan 0.000 0.432 66 L N 1.289 122.624 121.223 0.187 0.000 2.261 66 L HA -0.047 4.310 4.340 0.029 0.000 0.216 66 L C 2.337 179.254 176.870 0.078 0.000 1.114 66 L CA 2.113 57.078 54.840 0.208 0.000 0.777 66 L CB -1.872 40.310 42.059 0.205 0.000 0.910 66 L HN 0.401 nan 8.230 nan 0.000 0.440 67 S N -0.348 115.381 115.700 0.049 0.000 2.470 67 S HA 0.114 4.602 4.470 0.029 0.000 0.225 67 S C 1.351 175.967 174.600 0.028 0.000 1.006 67 S CA 0.042 58.249 58.200 0.010 0.000 0.934 67 S CB -0.910 62.289 63.200 -0.002 0.000 0.778 67 S HN 0.488 nan 8.310 nan 0.000 0.517 68 L N 3.015 124.277 121.223 0.064 0.000 2.650 68 L HA 0.229 4.586 4.340 0.029 0.000 0.239 68 L C 1.149 178.065 176.870 0.077 0.000 1.412 68 L CA -0.387 54.492 54.840 0.065 0.000 1.219 68 L CB -0.875 41.240 42.059 0.094 0.000 1.534 68 L HN 0.242 nan 8.230 nan 0.000 0.430 69 S N 0.119 115.853 115.700 0.056 0.000 2.440 69 S HA -0.167 4.320 4.470 0.029 0.000 0.240 69 S C 1.682 176.318 174.600 0.060 0.000 1.014 69 S CA 1.417 59.656 58.200 0.064 0.000 0.980 69 S CB -0.081 63.141 63.200 0.036 0.000 0.775 69 S HN 0.559 nan 8.310 nan 0.000 0.499 70 K N 0.375 120.802 120.400 0.046 0.000 2.372 70 K HA 0.227 4.565 4.320 0.029 0.000 0.200 70 K C -0.197 176.438 176.600 0.058 0.000 1.022 70 K CA -0.283 56.031 56.287 0.044 0.000 1.125 70 K CB 0.116 32.632 32.500 0.027 0.000 0.855 70 K HN 0.164 nan 8.250 nan 0.000 0.524 71 L N 1.807 123.074 121.223 0.074 0.000 2.584 71 L HA -0.048 4.309 4.340 0.029 0.000 0.272 71 L C 1.130 178.040 176.870 0.066 0.000 1.195 71 L CA 0.852 55.742 54.840 0.082 0.000 0.920 71 L CB 0.297 42.421 42.059 0.109 0.000 1.173 71 L HN 0.057 nan 8.230 nan 0.000 0.489 72 R N 4.315 124.844 120.500 0.049 0.000 2.257 72 R HA 0.400 4.757 4.340 0.029 0.000 0.195 72 R C -0.237 176.083 176.300 0.035 0.000 0.921 72 R CA 0.039 56.161 56.100 0.036 0.000 1.069 72 R CB 0.453 30.765 30.300 0.019 0.000 1.115 72 R HN 0.632 nan 8.270 nan 0.000 0.571 73 I N 2.112 122.692 120.570 0.018 0.000 2.478 73 I HA 0.285 4.472 4.170 0.029 0.000 0.287 73 I C -1.566 174.582 176.117 0.051 0.000 1.042 73 I CA -1.081 60.224 61.300 0.008 0.000 1.067 73 I CB 2.307 40.195 38.000 -0.188 0.000 1.233 73 I HN -0.045 nan 8.210 nan 0.000 0.431 74 L N 8.557 129.854 121.223 0.123 0.000 2.349 74 L HA 0.633 4.990 4.340 0.029 0.000 0.278 74 L C -1.149 175.819 176.870 0.163 0.000 0.996 74 L CA -0.189 54.727 54.840 0.126 0.000 0.825 74 L CB 1.366 43.500 42.059 0.126 0.000 1.243 74 L HN 0.413 nan 8.230 nan 0.000 0.412 75 I N 6.978 127.628 120.570 0.133 0.000 2.390 75 I HA 0.358 4.546 4.170 0.029 0.000 0.283 75 I C 0.025 176.214 176.117 0.120 0.000 1.016 75 I CA -0.067 61.319 61.300 0.144 0.000 1.151 75 I CB 1.179 39.247 38.000 0.114 0.000 1.293 75 I HN 0.561 nan 8.210 nan 0.000 0.458 76 I N 4.767 125.413 120.570 0.126 0.000 3.326 76 I HA 0.105 4.292 4.170 0.029 0.000 0.336 76 I C 0.794 176.970 176.117 0.098 0.000 1.543 76 I CA -0.169 61.196 61.300 0.109 0.000 1.013 76 I CB 0.130 38.201 38.000 0.120 0.000 1.468 76 I HN 0.538 nan 8.210 nan 0.000 0.515 77 S N -0.027 115.737 115.700 0.107 0.000 2.600 77 S HA 0.186 4.674 4.470 0.029 0.000 0.265 77 S C 0.684 175.342 174.600 0.098 0.000 1.325 77 S CA 0.032 58.277 58.200 0.075 0.000 1.002 77 S CB 0.258 63.514 63.200 0.094 0.000 0.921 77 S HN 0.510 nan 8.310 nan 0.000 0.554 78 H N -0.041 119.090 119.070 0.101 0.000 2.672 78 H HA -0.136 4.437 4.556 0.029 0.000 0.325 78 H C -0.440 174.888 175.328 -0.000 0.000 1.158 78 H CA 1.081 57.146 56.048 0.028 0.000 1.134 78 H CB -1.884 27.842 29.762 -0.060 0.000 1.553 78 H HN 0.756 nan 8.280 nan 0.000 0.419 79 N N -0.174 118.577 118.700 0.085 0.000 3.229 79 N HA 0.418 5.175 4.740 0.029 0.000 0.315 79 N C 0.418 175.971 175.510 0.073 0.000 1.520 79 N CA -0.837 52.251 53.050 0.063 0.000 0.769 79 N CB 1.332 39.853 38.487 0.055 0.000 1.766 79 N HN 0.322 nan 8.380 nan 0.000 0.618 80 R N 0.575 121.121 120.500 0.077 0.000 2.816 80 R HA 0.465 4.822 4.340 0.029 0.000 0.382 80 R C -0.874 175.451 176.300 0.041 0.000 1.140 80 R CA -0.291 55.850 56.100 0.067 0.000 1.050 80 R CB -0.618 29.738 30.300 0.093 0.000 1.396 80 R HN 0.364 nan 8.270 nan 0.000 0.583 81 I N 1.833 122.418 120.570 0.025 0.000 2.471 81 I HA 0.021 4.208 4.170 0.029 0.000 0.286 81 I C 1.088 177.195 176.117 -0.017 0.000 1.079 81 I CA -0.026 61.277 61.300 0.004 0.000 1.398 81 I CB 1.448 39.446 38.000 -0.004 0.000 1.403 81 I HN 0.353 nan 8.210 nan 0.000 0.530 82 Q N 4.792 124.591 119.800 -0.001 0.000 2.349 82 Q HA 0.074 4.432 4.340 0.029 0.000 0.209 82 Q C -0.496 175.527 176.000 0.039 0.000 0.920 82 Q CA 0.587 56.386 55.803 -0.006 0.000 0.901 82 Q CB 0.711 29.459 28.738 0.018 0.000 1.021 82 Q HN 0.675 nan 8.270 nan 0.000 0.519 83 Y N 0.260 120.516 120.300 -0.072 0.000 2.524 83 Y HA 0.547 5.115 4.550 0.029 0.000 0.347 83 Y C -1.845 174.022 175.900 -0.054 0.000 1.005 83 Y CA -1.210 56.859 58.100 -0.050 0.000 1.025 83 Y CB 1.587 40.016 38.460 -0.052 0.000 1.275 83 Y HN -0.126 nan 8.280 nan 0.000 0.460 84 L N 6.039 126.690 121.223 -0.954 0.000 2.476 84 L HA 0.361 4.718 4.340 0.029 0.000 0.269 84 L C -1.834 174.532 176.870 -0.839 0.000 0.965 84 L CA -0.482 53.948 54.840 -0.683 0.000 0.845 84 L CB 1.813 43.742 42.059 -0.217 0.000 1.259 84 L HN 0.844 nan 8.230 nan 0.000 0.403 85 D N 4.825 124.868 120.400 -0.596 0.000 2.347 85 D HA 0.134 4.791 4.640 0.029 0.000 0.235 85 D C 1.037 177.251 176.300 -0.143 0.000 1.149 85 D CA -0.131 53.722 54.000 -0.245 0.000 0.850 85 D CB 1.238 42.021 40.800 -0.028 0.000 1.061 85 D HN 0.657 nan 8.370 nan 0.000 0.487 86 I N 2.942 123.530 120.570 0.030 0.000 2.756 86 I HA -0.230 3.958 4.170 0.029 0.000 0.262 86 I C 1.736 177.921 176.117 0.114 0.000 1.225 86 I CA 0.822 62.220 61.300 0.163 0.000 1.472 86 I CB 0.185 38.344 38.000 0.264 0.000 1.094 86 I HN 0.359 nan 8.210 nan 0.000 0.454 87 S N -0.987 114.713 115.700 -0.001 0.000 2.561 87 S HA -0.026 4.461 4.470 0.029 0.000 0.225 87 S C 1.694 176.165 174.600 -0.215 0.000 0.977 87 S CA 0.404 58.515 58.200 -0.148 0.000 0.926 87 S CB -0.324 62.605 63.200 -0.452 0.000 0.769 87 S HN 0.266 nan 8.310 nan 0.000 0.533 88 V N 0.743 120.481 119.914 -0.292 0.000 2.913 88 V HA -0.007 4.130 4.120 0.029 0.000 0.260 88 V C 1.298 177.161 176.094 -0.384 0.000 1.098 88 V CA 1.372 63.449 62.300 -0.372 0.000 1.121 88 V CB -0.993 30.526 31.823 -0.506 0.000 0.714 88 V HN 0.645 nan 8.190 nan 0.000 0.487 89 F N 0.199 120.131 119.950 -0.030 0.000 2.693 89 F HA 0.126 4.670 4.527 0.029 0.000 0.303 89 F C 2.025 177.791 175.800 -0.057 0.000 1.097 89 F CA -0.027 57.971 58.000 -0.003 0.000 1.330 89 F CB -0.272 38.743 39.000 0.025 0.000 1.067 89 F HN 0.157 nan 8.300 nan 0.000 0.565 90 K N 0.530 120.883 120.400 -0.078 0.000 2.286 90 K HA -0.180 4.158 4.320 0.029 0.000 0.203 90 K C 0.963 177.440 176.600 -0.205 0.000 1.045 90 K CA 1.731 57.887 56.287 -0.218 0.000 0.935 90 K CB -0.711 31.519 32.500 -0.450 0.000 0.737 90 K HN 0.329 nan 8.250 nan 0.000 0.460 91 F N 1.026 121.036 119.950 0.100 0.000 2.727 91 F HA 0.183 4.728 4.527 0.029 0.000 0.302 91 F C 0.379 176.235 175.800 0.094 0.000 1.097 91 F CA -0.833 57.215 58.000 0.081 0.000 1.330 91 F CB 0.300 39.338 39.000 0.063 0.000 1.084 91 F HN -0.017 nan 8.300 nan 0.000 0.578 92 N N 1.476 120.330 118.700 0.257 0.000 3.170 92 N HA 0.045 4.802 4.740 0.029 0.000 0.305 92 N C 0.738 176.334 175.510 0.144 0.000 1.499 92 N CA 0.038 53.210 53.050 0.205 0.000 1.110 92 N CB 0.540 39.170 38.487 0.238 0.000 1.390 92 N HN 0.242 nan 8.380 nan 0.000 0.508 93 Q N 0.131 120.009 119.800 0.131 0.000 2.508 93 Q HA -0.074 4.283 4.340 0.029 0.000 0.214 93 Q C 0.646 176.689 176.000 0.071 0.000 0.979 93 Q CA 0.978 56.838 55.803 0.095 0.000 0.911 93 Q CB 0.356 29.150 28.738 0.094 0.000 0.969 93 Q HN 0.447 nan 8.270 nan 0.000 0.504 94 E N -0.203 120.040 120.200 0.071 0.000 2.452 94 E HA 0.029 4.396 4.350 0.029 0.000 0.197 94 E C 0.294 176.921 176.600 0.046 0.000 1.022 94 E CA -0.309 56.123 56.400 0.054 0.000 0.890 94 E CB 0.093 29.825 29.700 0.054 0.000 0.918 94 E HN 0.145 nan 8.360 nan 0.000 0.496 95 L N 2.966 124.216 121.223 0.044 0.000 2.584 95 L HA -0.076 4.281 4.340 0.029 0.000 0.272 95 L C 1.143 178.016 176.870 0.005 0.000 1.195 95 L CA 0.883 55.732 54.840 0.014 0.000 0.920 95 L CB 0.260 42.298 42.059 -0.036 0.000 1.173 95 L HN 0.103 nan 8.230 nan 0.000 0.489 96 E N 3.730 123.949 120.200 0.032 0.000 2.603 96 E HA 0.038 4.405 4.350 0.029 0.000 0.224 96 E C -0.679 175.986 176.600 0.109 0.000 0.896 96 E CA -0.365 56.065 56.400 0.050 0.000 1.224 96 E CB 0.205 29.941 29.700 0.061 0.000 1.206 96 E HN 0.507 nan 8.360 nan 0.000 0.576 97 Y N 1.114 121.384 120.300 -0.050 0.000 2.329 97 Y HA 0.502 5.069 4.550 0.029 0.000 0.328 97 Y C -1.832 174.033 175.900 -0.057 0.000 0.992 97 Y CA -1.359 56.716 58.100 -0.042 0.000 1.151 97 Y CB 1.795 40.181 38.460 -0.124 0.000 1.150 97 Y HN 0.125 nan 8.280 nan 0.000 0.450 98 L N 6.817 127.993 121.223 -0.079 0.000 2.406 98 L HA 0.511 4.868 4.340 0.029 0.000 0.272 98 L C -1.820 175.021 176.870 -0.049 0.000 0.980 98 L CA -0.325 54.473 54.840 -0.071 0.000 0.831 98 L CB 1.631 43.549 42.059 -0.235 0.000 1.253 98 L HN 0.689 nan 8.230 nan 0.000 0.406 99 D N 4.832 125.265 120.400 0.054 0.000 2.453 99 D HA 0.338 4.995 4.640 0.029 0.000 0.238 99 D C -0.225 176.139 176.300 0.105 0.000 1.088 99 D CA -0.052 54.003 54.000 0.091 0.000 0.854 99 D CB 0.946 41.849 40.800 0.170 0.000 1.076 99 D HN 0.639 nan 8.370 nan 0.000 0.533 100 L N 2.475 123.751 121.223 0.089 0.000 2.910 100 L HA 0.177 4.535 4.340 0.029 0.000 0.252 100 L C 0.906 177.819 176.870 0.073 0.000 1.195 100 L CA -0.344 54.551 54.840 0.093 0.000 1.003 100 L CB 0.149 42.275 42.059 0.110 0.000 1.328 100 L HN 0.310 nan 8.230 nan 0.000 0.540 101 S N -1.095 114.647 115.700 0.070 0.000 2.569 101 S HA -0.007 4.480 4.470 0.029 0.000 0.274 101 S C 0.640 175.225 174.600 -0.025 0.000 1.353 101 S CA -0.115 58.102 58.200 0.029 0.000 1.023 101 S CB 0.122 63.372 63.200 0.083 0.000 0.876 101 S HN 0.478 nan 8.310 nan 0.000 0.540 102 H N -0.027 119.028 119.070 -0.025 0.000 2.756 102 H HA -0.134 4.440 4.556 0.029 0.000 0.315 102 H C -0.203 175.063 175.328 -0.104 0.000 1.210 102 H CA 1.089 57.040 56.048 -0.161 0.000 1.150 102 H CB -1.954 27.402 29.762 -0.677 0.000 1.463 102 H HN 0.741 nan 8.280 nan 0.000 0.427 103 N N 0.112 118.828 118.700 0.025 0.000 3.357 103 N HA 0.343 5.101 4.740 0.029 0.000 0.359 103 N C 0.548 176.051 175.510 -0.012 0.000 1.477 103 N CA -0.643 52.417 53.050 0.017 0.000 0.645 103 N CB 1.044 39.533 38.487 0.004 0.000 1.703 103 N HN 0.116 nan 8.380 nan 0.000 0.597 104 K N 0.373 120.744 120.400 -0.049 0.000 2.826 104 K HA 0.355 4.693 4.320 0.029 0.000 0.206 104 K C -0.806 175.685 176.600 -0.181 0.000 1.116 104 K CA -0.097 56.141 56.287 -0.081 0.000 1.045 104 K CB 0.261 32.744 32.500 -0.029 0.000 0.758 104 K HN 0.253 nan 8.250 nan 0.000 0.465 105 L N 2.209 123.254 121.223 -0.297 0.000 2.584 105 L HA -0.029 4.329 4.340 0.029 0.000 0.272 105 L C 1.432 177.769 176.870 -0.888 0.000 1.195 105 L CA -0.096 54.428 54.840 -0.526 0.000 0.920 105 L CB 0.470 42.176 42.059 -0.587 0.000 1.173 105 L HN 0.108 nan 8.230 nan 0.000 0.489 106 V N -0.202 119.423 119.914 -0.482 0.000 3.604 106 V HA 0.344 4.481 4.120 0.029 0.000 0.277 106 V C 0.131 176.227 176.094 0.003 0.000 1.399 106 V CA 0.107 62.232 62.300 -0.292 0.000 1.034 106 V CB 0.479 32.250 31.823 -0.087 0.000 0.824 106 V HN 0.740 nan 8.190 nan 0.000 0.439 107 K N 0.652 121.113 120.400 0.102 0.000 2.557 107 K HA 0.640 4.977 4.320 0.029 0.000 0.261 107 K C -1.829 174.946 176.600 0.291 0.000 0.932 107 K CA -0.492 55.989 56.287 0.322 0.000 0.829 107 K CB 2.347 35.032 32.500 0.308 0.000 1.358 107 K HN 0.335 nan 8.250 nan 0.000 0.430 108 I N 2.460 123.185 120.570 0.258 0.000 2.447 108 I HA 0.465 4.653 4.170 0.029 0.000 0.287 108 I C -1.143 174.990 176.117 0.027 0.000 1.023 108 I CA -0.399 60.945 61.300 0.074 0.000 1.083 108 I CB 2.010 40.086 38.000 0.126 0.000 1.245 108 I HN 0.610 nan 8.210 nan 0.000 0.434 109 S N 6.516 122.204 115.700 -0.020 0.000 2.465 109 S HA 0.300 4.787 4.470 0.029 0.000 0.279 109 S C -0.364 174.214 174.600 -0.037 0.000 1.201 109 S CA -0.518 57.711 58.200 0.049 0.000 1.053 109 S CB 0.279 63.615 63.200 0.226 0.000 0.953 109 S HN 0.645 nan 8.310 nan 0.000 0.488 110 c N 5.426 123.905 118.600 -0.202 0.000 2.514 110 c HA 0.521 5.108 4.570 0.029 0.000 0.392 110 c C 0.412 174.196 174.090 -0.509 0.000 1.294 110 c CA -0.531 55.637 56.329 -0.268 0.000 1.957 110 c CB -0.977 41.357 42.510 -0.294 0.000 2.541 110 c HN 0.778 nan 8.230 nan 0.000 0.569 111 H N 0.706 119.771 119.070 -0.008 0.000 3.064 111 H HA 0.273 4.846 4.556 0.029 0.000 0.352 111 H C -2.718 172.629 175.328 0.033 0.000 1.260 111 H CA -1.158 54.894 56.048 0.008 0.000 1.160 111 H CB 1.330 31.100 29.762 0.013 0.000 1.879 111 H HN 0.272 nan 8.280 nan 0.000 0.544 112 P HA -0.002 nan 4.420 nan 0.000 0.263 112 P C 0.089 177.466 177.300 0.129 0.000 1.195 112 P CA 0.654 63.822 63.100 0.114 0.000 0.762 112 P CB 0.660 32.410 31.700 0.082 0.000 0.799 113 T N 1.963 116.601 114.554 0.140 0.000 2.844 113 T HA 0.453 4.821 4.350 0.029 0.000 0.274 113 T C 0.156 174.910 174.700 0.090 0.000 0.991 113 T CA -0.731 61.452 62.100 0.137 0.000 0.983 113 T CB 0.519 69.485 68.868 0.164 0.000 1.310 113 T HN -0.029 nan 8.240 nan 0.000 0.596 114 V N 1.772 121.725 119.914 0.065 0.000 3.385 114 V HA 0.282 4.419 4.120 0.029 0.000 0.301 114 V C 0.952 177.063 176.094 0.028 0.000 1.082 114 V CA -0.618 61.708 62.300 0.043 0.000 1.085 114 V CB 0.341 32.181 31.823 0.028 0.000 1.152 114 V HN 0.856 nan 8.190 nan 0.000 0.465 115 N N 1.541 120.256 118.700 0.024 0.000 2.807 115 N HA 0.201 4.958 4.740 0.029 0.000 0.259 115 N C -0.845 174.664 175.510 -0.002 0.000 1.149 115 N CA -0.641 52.418 53.050 0.016 0.000 1.042 115 N CB 0.111 38.612 38.487 0.025 0.000 1.367 115 N HN 0.336 nan 8.380 nan 0.000 0.516 116 L N 2.484 123.688 121.223 -0.033 0.000 2.467 116 L HA 0.040 4.398 4.340 0.029 0.000 0.270 116 L C 1.461 178.315 176.870 -0.027 0.000 1.205 116 L CA 0.893 55.704 54.840 -0.048 0.000 0.828 116 L CB 0.749 42.735 42.059 -0.121 0.000 1.101 116 L HN 0.411 nan 8.230 nan 0.000 0.479 117 K N 0.453 120.866 120.400 0.021 0.000 2.365 117 K HA 0.105 4.442 4.320 0.029 0.000 0.195 117 K C -0.280 176.377 176.600 0.095 0.000 1.079 117 K CA 0.166 56.487 56.287 0.056 0.000 0.979 117 K CB 0.464 33.022 32.500 0.096 0.000 0.929 117 K HN 0.595 nan 8.250 nan 0.000 0.523 118 H N 0.288 119.318 119.070 -0.067 0.000 2.924 118 H HA 0.360 4.934 4.556 0.029 0.000 0.333 118 H C -2.024 173.155 175.328 -0.248 0.000 0.979 118 H CA -0.916 55.053 56.048 -0.132 0.000 1.326 118 H CB 1.091 30.667 29.762 -0.309 0.000 1.600 118 H HN -0.120 nan 8.280 nan 0.000 0.520 119 L N 5.169 126.231 121.223 -0.270 0.000 2.372 119 L HA 0.392 4.749 4.340 0.029 0.000 0.273 119 L C -1.448 175.257 176.870 -0.275 0.000 0.989 119 L CA -0.439 54.235 54.840 -0.277 0.000 0.841 119 L CB 1.481 43.296 42.059 -0.407 0.000 1.225 119 L HN 0.699 nan 8.230 nan 0.000 0.414 120 D N 4.950 125.275 120.400 -0.125 0.000 2.441 120 D HA 0.317 4.974 4.640 0.029 0.000 0.231 120 D C 0.061 176.359 176.300 -0.003 0.000 1.073 120 D CA -0.044 53.946 54.000 -0.017 0.000 0.850 120 D CB 1.050 41.945 40.800 0.159 0.000 1.062 120 D HN 0.657 nan 8.370 nan 0.000 0.524 121 L N 2.422 123.619 121.223 -0.044 0.000 2.910 121 L HA 0.135 4.492 4.340 0.029 0.000 0.252 121 L C 1.000 177.902 176.870 0.054 0.000 1.195 121 L CA -0.276 54.598 54.840 0.056 0.000 1.003 121 L CB 0.202 42.279 42.059 0.030 0.000 1.328 121 L HN 0.257 nan 8.230 nan 0.000 0.540 122 S N -0.762 114.915 115.700 -0.039 0.000 2.600 122 S HA 0.272 4.759 4.470 0.029 0.000 0.265 122 S C 0.363 174.897 174.600 -0.110 0.000 1.325 122 S CA -0.359 57.744 58.200 -0.163 0.000 1.002 122 S CB 0.218 63.278 63.200 -0.235 0.000 0.921 122 S HN 0.249 nan 8.310 nan 0.000 0.554 123 F N -0.226 119.580 119.950 -0.241 0.000 2.969 123 F HA -0.202 4.342 4.527 0.028 0.000 0.273 123 F C 0.258 175.938 175.800 -0.200 0.000 0.986 123 F CA 0.657 58.468 58.000 -0.315 0.000 0.926 123 F CB -2.226 36.276 39.000 -0.830 0.000 0.887 123 F HN 0.719 nan 8.300 nan 0.000 0.816 124 N N -0.529 118.168 118.700 -0.005 0.000 3.091 124 N HA 0.799 5.556 4.740 0.029 0.000 0.329 124 N C 0.277 175.729 175.510 -0.098 0.000 1.430 124 N CA -0.349 52.658 53.050 -0.071 0.000 0.755 124 N CB 0.982 39.381 38.487 -0.147 0.000 1.626 124 N HN 0.060 nan 8.380 nan 0.000 0.614 125 A N 0.030 122.702 122.820 -0.248 0.000 2.507 125 A HA 0.348 4.686 4.320 0.029 0.000 0.270 125 A C -0.603 176.907 177.584 -0.124 0.000 1.318 125 A CA -0.371 51.575 52.037 -0.151 0.000 0.924 125 A CB -0.826 18.099 19.000 -0.125 0.000 1.061 125 A HN 0.475 nan 8.150 nan 0.000 0.516 126 F N 0.421 120.374 119.950 0.005 0.000 2.607 126 F HA 0.024 4.568 4.527 0.029 0.000 0.374 126 F C 1.298 177.113 175.800 0.024 0.000 1.104 126 F CA 0.157 58.164 58.000 0.012 0.000 1.296 126 F CB 0.622 39.623 39.000 0.001 0.000 1.085 126 F HN 0.242 nan 8.300 nan 0.000 0.584 127 D N 1.513 122.054 120.400 0.236 0.000 2.201 127 D HA 0.092 4.749 4.640 0.029 0.000 0.209 127 D C 0.732 177.145 176.300 0.188 0.000 0.961 127 D CA 0.790 54.890 54.000 0.166 0.000 0.861 127 D CB 0.213 41.078 40.800 0.109 0.000 0.997 127 D HN 0.480 nan 8.370 nan 0.000 0.486 128 A N 0.395 123.318 122.820 0.172 0.000 2.299 128 A HA 0.462 4.800 4.320 0.029 0.000 0.332 128 A C -0.574 177.036 177.584 0.044 0.000 1.131 128 A CA -0.515 51.600 52.037 0.131 0.000 0.844 128 A CB 1.029 20.087 19.000 0.097 0.000 1.251 128 A HN 0.093 nan 8.150 nan 0.000 0.486 129 L N 2.346 123.562 121.223 -0.011 0.000 2.534 129 L HA 0.248 4.606 4.340 0.029 0.000 0.271 129 L C -1.564 175.189 176.870 -0.193 0.000 1.178 129 L CA -1.112 53.672 54.840 -0.092 0.000 0.907 129 L CB 0.391 42.409 42.059 -0.068 0.000 1.164 129 L HN 0.457 nan 8.230 nan 0.000 0.482 130 P HA 0.117 nan 4.420 nan 0.000 0.226 130 P C -0.526 176.643 177.300 -0.219 0.000 1.783 130 P CA 0.236 63.019 63.100 -0.527 0.000 0.980 130 P CB -0.429 30.482 31.700 -1.315 0.000 1.967 131 I N 1.348 121.810 120.570 -0.181 0.000 2.328 131 I HA 0.207 4.394 4.170 0.029 0.000 0.287 131 I C 0.535 176.375 176.117 -0.462 0.000 1.012 131 I CA -0.757 60.452 61.300 -0.152 0.000 1.195 131 I CB 1.212 39.185 38.000 -0.046 0.000 1.350 131 I HN 0.081 nan 8.210 nan 0.000 0.464 132 c N 5.352 123.262 118.600 -1.150 0.000 2.536 132 c HA 0.084 4.671 4.570 0.029 0.000 0.396 132 c C 2.065 175.789 174.090 -0.610 0.000 1.279 132 c CA -0.526 55.230 56.329 -0.955 0.000 2.148 132 c CB 0.886 42.637 42.510 -1.266 0.000 2.584 132 c HN 0.842 nan 8.230 nan 0.000 0.579 133 K N 1.088 121.290 120.400 -0.329 0.000 2.211 133 K HA -0.162 4.175 4.320 0.029 0.000 0.204 133 K C 1.403 177.937 176.600 -0.111 0.000 1.047 133 K CA 1.729 57.915 56.287 -0.168 0.000 0.935 133 K CB 0.088 32.515 32.500 -0.121 0.000 0.728 133 K HN 0.674 nan 8.250 nan 0.000 0.452 134 E N 0.057 120.158 120.200 -0.165 0.000 2.153 134 E HA -0.122 4.245 4.350 0.029 0.000 0.194 134 E C 1.394 178.079 176.600 0.142 0.000 0.988 134 E CA 1.150 57.535 56.400 -0.024 0.000 0.811 134 E CB -0.188 29.499 29.700 -0.021 0.000 0.746 134 E HN 0.377 nan 8.360 nan 0.000 0.466 135 F N -0.109 119.829 119.950 -0.021 0.000 2.287 135 F HA -0.161 4.383 4.527 0.029 0.000 0.301 135 F C 2.220 178.012 175.800 -0.013 0.000 1.069 135 F CA 0.249 58.229 58.000 -0.033 0.000 1.372 135 F CB -0.243 38.717 39.000 -0.067 0.000 1.056 135 F HN 0.204 nan 8.300 nan 0.000 0.523 136 G N -0.253 108.676 108.800 0.215 0.000 2.535 136 G HA2 -0.220 3.757 3.960 0.029 0.000 0.218 136 G HA3 -0.220 3.757 3.960 0.029 0.000 0.218 136 G C 1.216 176.274 174.900 0.263 0.000 1.122 136 G CA 0.468 45.721 45.100 0.255 0.000 0.769 136 G HN 0.260 nan 8.290 nan 0.000 0.549 137 N N 0.139 118.938 118.700 0.166 0.000 2.280 137 N HA 0.136 4.894 4.740 0.029 0.000 0.192 137 N C 0.801 176.367 175.510 0.093 0.000 1.109 137 N CA 0.002 53.127 53.050 0.123 0.000 0.855 137 N CB 0.224 38.765 38.487 0.090 0.000 0.974 137 N HN 0.313 nan 8.380 nan 0.000 0.482 138 M N 1.292 120.940 119.600 0.081 0.000 3.586 138 M HA 0.082 4.580 4.480 0.029 0.000 0.225 138 M C 1.272 177.576 176.300 0.007 0.000 1.428 138 M CA -0.171 55.147 55.300 0.029 0.000 1.613 138 M CB -0.002 32.590 32.600 -0.014 0.000 1.063 138 M HN -0.003 nan 8.290 nan 0.000 0.593 139 S N 0.347 116.064 115.700 0.029 0.000 2.423 139 S HA -0.221 4.267 4.470 0.029 0.000 0.238 139 S C 1.353 175.957 174.600 0.007 0.000 1.028 139 S CA 1.229 59.443 58.200 0.024 0.000 1.000 139 S CB -0.254 62.969 63.200 0.039 0.000 0.797 139 S HN 0.718 nan 8.310 nan 0.000 0.487 140 Q N 0.144 119.947 119.800 0.005 0.000 2.220 140 Q HA 0.373 4.730 4.340 0.029 0.000 0.205 140 Q C -0.576 175.422 176.000 -0.003 0.000 0.865 140 Q CA -0.407 55.400 55.803 0.007 0.000 0.960 140 Q CB 0.174 28.922 28.738 0.017 0.000 1.097 140 Q HN 0.428 nan 8.270 nan 0.000 0.493 141 L N 1.570 122.775 121.223 -0.030 0.000 2.530 141 L HA -0.015 4.342 4.340 0.029 0.000 0.273 141 L C 0.562 177.408 176.870 -0.040 0.000 1.141 141 L CA 0.909 55.714 54.840 -0.058 0.000 0.905 141 L CB 0.387 42.376 42.059 -0.116 0.000 1.202 141 L HN -0.049 nan 8.230 nan 0.000 0.473 142 K N 4.333 124.736 120.400 0.005 0.000 2.287 142 K HA 0.144 4.481 4.320 0.029 0.000 0.199 142 K C -0.207 176.431 176.600 0.064 0.000 1.061 142 K CA 0.357 56.668 56.287 0.040 0.000 0.976 142 K CB 0.385 32.938 32.500 0.087 0.000 0.898 142 K HN 0.411 nan 8.250 nan 0.000 0.492 143 F N 1.392 121.258 119.950 -0.140 0.000 2.529 143 F HA 0.474 5.018 4.527 0.029 0.000 0.320 143 F C -1.629 173.953 175.800 -0.364 0.000 1.118 143 F CA -1.500 56.352 58.000 -0.247 0.000 0.915 143 F CB 1.470 40.280 39.000 -0.317 0.000 1.161 143 F HN -0.264 nan 8.300 nan 0.000 0.445 144 L N 5.968 126.507 121.223 -1.140 0.000 2.404 144 L HA 0.764 5.121 4.340 0.029 0.000 0.272 144 L C -0.733 175.466 176.870 -1.118 0.000 0.980 144 L CA -0.253 54.047 54.840 -0.900 0.000 0.836 144 L CB 1.575 43.327 42.059 -0.512 0.000 1.238 144 L HN 0.701 nan 8.230 nan 0.000 0.408 145 G N 5.624 113.908 108.800 -0.860 0.000 2.343 145 G HA2 0.660 4.637 3.960 0.029 0.000 0.319 145 G HA3 0.660 4.637 3.960 0.029 0.000 0.319 145 G C -1.145 173.549 174.900 -0.343 0.000 1.126 145 G CA -0.415 44.358 45.100 -0.544 0.000 0.889 145 G HN 0.597 nan 8.290 nan 0.000 0.457 146 L N 0.703 121.733 121.223 -0.322 0.000 2.303 146 L HA 0.770 5.127 4.340 0.029 0.000 0.256 146 L C -0.036 176.699 176.870 -0.226 0.000 1.034 146 L CA -0.959 53.737 54.840 -0.239 0.000 0.832 146 L CB 2.513 44.446 42.059 -0.210 0.000 1.403 146 L HN 0.498 nan 8.230 nan 0.000 0.419 147 S N -0.615 115.012 115.700 -0.123 0.000 2.541 147 S HA 0.874 5.361 4.470 0.029 0.000 0.271 147 S C -1.186 173.419 174.600 0.008 0.000 1.133 147 S CA -0.623 57.536 58.200 -0.067 0.000 0.876 147 S CB 2.359 65.612 63.200 0.089 0.000 1.105 147 S HN 0.783 nan 8.310 nan 0.000 0.470 148 T N -1.642 112.900 114.554 -0.020 0.000 2.827 148 T HA 0.473 4.840 4.350 0.029 0.000 0.328 148 T C 0.195 174.937 174.700 0.070 0.000 1.598 148 T CA -0.386 61.744 62.100 0.050 0.000 1.043 148 T CB 1.073 69.954 68.868 0.021 0.000 1.447 148 T HN 0.575 nan 8.240 nan 0.000 0.491 149 T N -2.436 112.218 114.554 0.166 0.000 2.975 149 T HA 0.321 4.688 4.350 0.029 0.000 0.257 149 T C 0.159 175.058 174.700 0.332 0.000 1.003 149 T CA 0.334 62.570 62.100 0.226 0.000 0.932 149 T CB -0.263 68.700 68.868 0.160 0.000 1.087 149 T HN 0.986 nan 8.240 nan 0.000 0.512 150 H N -0.083 119.090 119.070 0.172 0.000 2.856 150 H HA 0.682 5.255 4.556 0.029 0.000 0.355 150 H C -1.974 173.434 175.328 0.133 0.000 1.079 150 H CA -1.120 55.007 56.048 0.132 0.000 1.240 150 H CB 1.654 31.452 29.762 0.060 0.000 1.701 150 H HN 0.193 nan 8.280 nan 0.000 0.527 151 L N 4.225 125.233 121.223 -0.357 0.000 2.372 151 L HA 0.475 4.832 4.340 0.029 0.000 0.274 151 L C -1.158 175.520 176.870 -0.320 0.000 0.988 151 L CA -0.153 54.553 54.840 -0.223 0.000 0.833 151 L CB 1.669 43.726 42.059 -0.004 0.000 1.236 151 L HN 0.758 nan 8.230 nan 0.000 0.410 152 E N 3.850 123.910 120.200 -0.232 0.000 2.171 152 E HA 0.215 4.582 4.350 0.029 0.000 0.271 152 E C 0.036 176.571 176.600 -0.108 0.000 0.916 152 E CA -0.531 55.783 56.400 -0.142 0.000 0.774 152 E CB 2.236 31.901 29.700 -0.058 0.000 1.128 152 E HN 0.586 nan 8.360 nan 0.000 0.403 153 K N 1.865 122.213 120.400 -0.086 0.000 2.127 153 K HA -0.241 4.096 4.320 0.029 0.000 0.208 153 K C 1.883 178.406 176.600 -0.128 0.000 1.047 153 K CA 2.238 58.464 56.287 -0.101 0.000 0.927 153 K CB -0.005 32.459 32.500 -0.061 0.000 0.716 153 K HN 0.493 nan 8.250 nan 0.000 0.450 154 S N 0.165 115.809 115.700 -0.092 0.000 2.383 154 S HA -0.147 4.341 4.470 0.029 0.000 0.227 154 S C 1.957 176.491 174.600 -0.111 0.000 1.026 154 S CA 1.409 59.556 58.200 -0.088 0.000 0.981 154 S CB -0.571 62.597 63.200 -0.054 0.000 0.818 154 S HN 0.470 nan 8.310 nan 0.000 0.472 155 S N 1.124 116.756 115.700 -0.115 0.000 2.493 155 S HA 0.007 4.495 4.470 0.029 0.000 0.243 155 S C 1.512 176.004 174.600 -0.180 0.000 0.991 155 S CA 0.832 58.958 58.200 -0.123 0.000 0.957 155 S CB -0.717 62.423 63.200 -0.098 0.000 0.756 155 S HN 0.435 nan 8.310 nan 0.000 0.521 156 V N 0.943 120.700 119.914 -0.263 0.000 3.354 156 V HA 0.188 4.326 4.120 0.029 0.000 0.258 156 V C 2.149 178.091 176.094 -0.254 0.000 1.159 156 V CA 0.356 62.420 62.300 -0.394 0.000 1.125 156 V CB -0.623 30.730 31.823 -0.784 0.000 0.774 156 V HN 0.445 nan 8.190 nan 0.000 0.464 157 L N 0.756 121.877 121.223 -0.170 0.000 2.103 157 L HA -0.198 4.160 4.340 0.029 0.000 0.215 157 L C -0.059 176.793 176.870 -0.030 0.000 1.080 157 L CA 2.188 56.972 54.840 -0.092 0.000 0.764 157 L CB -1.129 40.888 42.059 -0.071 0.000 0.890 157 L HN 0.371 nan 8.230 nan 0.000 0.435 158 P HA -0.146 nan 4.420 nan 0.000 0.220 158 P C 1.158 178.520 177.300 0.103 0.000 1.148 158 P CA 1.375 64.492 63.100 0.029 0.000 0.803 158 P CB -0.015 31.666 31.700 -0.031 0.000 0.782 159 I N -6.602 113.963 120.570 -0.009 0.000 4.009 159 I HA 0.442 4.629 4.170 0.029 0.000 0.331 159 I C 1.567 177.570 176.117 -0.189 0.000 1.462 159 I CA -0.207 61.019 61.300 -0.122 0.000 1.117 159 I CB -0.253 37.708 38.000 -0.066 0.000 1.091 159 I HN -0.278 nan 8.210 nan 0.000 0.410 160 A N 2.488 125.268 122.820 -0.066 0.000 1.978 160 A HA -0.230 4.108 4.320 0.029 0.000 0.220 160 A C 2.268 179.842 177.584 -0.016 0.000 1.170 160 A CA 2.073 54.085 52.037 -0.043 0.000 0.636 160 A CB -1.094 17.900 19.000 -0.010 0.000 0.810 160 A HN 0.788 nan 8.150 nan 0.000 0.448 161 H N -1.155 117.902 119.070 -0.021 0.000 2.548 161 H HA 0.245 4.818 4.556 0.029 0.000 0.268 161 H C 0.408 175.734 175.328 -0.003 0.000 0.975 161 H CA 0.023 56.064 56.048 -0.011 0.000 1.195 161 H CB -0.759 28.997 29.762 -0.011 0.000 1.397 161 H HN 0.365 nan 8.280 nan 0.000 0.572 162 L N 2.568 123.511 121.223 -0.467 0.000 2.367 162 L HA 0.083 4.440 4.340 0.029 0.000 0.275 162 L C 0.160 176.959 176.870 -0.119 0.000 1.129 162 L CA -0.316 54.353 54.840 -0.285 0.000 0.839 162 L CB 0.519 42.389 42.059 -0.316 0.000 1.133 162 L HN 0.082 nan 8.230 nan 0.000 0.453 163 N N 5.136 123.797 118.700 -0.065 0.000 2.807 163 N HA 0.293 5.050 4.740 0.029 0.000 0.259 163 N C -0.222 175.266 175.510 -0.036 0.000 1.149 163 N CA 0.015 53.045 53.050 -0.033 0.000 1.042 163 N CB 0.282 38.761 38.487 -0.013 0.000 1.367 163 N HN 0.444 nan 8.380 nan 0.000 0.516 164 I N 0.471 121.013 120.570 -0.046 0.000 2.575 164 I HA 0.000 4.187 4.170 0.029 0.000 0.285 164 I C 1.497 177.595 176.117 -0.033 0.000 1.085 164 I CA -0.049 61.219 61.300 -0.053 0.000 1.403 164 I CB 0.976 38.925 38.000 -0.085 0.000 1.409 164 I HN 0.262 nan 8.210 nan 0.000 0.557 165 S N 3.702 119.395 115.700 -0.012 0.000 2.336 165 S HA -0.055 4.433 4.470 0.029 0.000 0.216 165 S C 0.649 175.256 174.600 0.012 0.000 1.032 165 S CA 0.979 59.188 58.200 0.015 0.000 0.973 165 S CB 0.027 63.257 63.200 0.050 0.000 0.888 165 S HN 0.601 nan 8.310 nan 0.000 0.455 166 K N 0.833 121.246 120.400 0.022 0.000 2.427 166 K HA 0.570 4.908 4.320 0.029 0.000 0.252 166 K C -1.995 174.475 176.600 -0.217 0.000 0.931 166 K CA -0.409 55.884 56.287 0.010 0.000 0.793 166 K CB 1.962 34.591 32.500 0.215 0.000 1.211 166 K HN -0.052 nan 8.250 nan 0.000 0.426 167 V N 4.774 124.513 119.914 -0.292 0.000 2.588 167 V HA 0.439 4.576 4.120 0.029 0.000 0.304 167 V C -1.146 174.687 176.094 -0.435 0.000 1.042 167 V CA -0.962 61.032 62.300 -0.510 0.000 0.877 167 V CB 1.557 33.049 31.823 -0.552 0.000 0.996 167 V HN 0.696 nan 8.190 nan 0.000 0.425 168 L N 6.428 127.333 121.223 -0.529 0.000 2.333 168 L HA 0.776 5.134 4.340 0.029 0.000 0.280 168 L C -1.230 175.362 176.870 -0.464 0.000 1.004 168 L CA -0.318 54.303 54.840 -0.365 0.000 0.820 168 L CB 1.476 43.431 42.059 -0.175 0.000 1.247 168 L HN 0.600 nan 8.230 nan 0.000 0.416 169 L N 6.493 127.425 121.223 -0.485 0.000 2.372 169 L HA 0.627 4.984 4.340 0.029 0.000 0.274 169 L C -1.283 175.258 176.870 -0.550 0.000 0.988 169 L CA -0.334 54.214 54.840 -0.487 0.000 0.833 169 L CB 1.889 43.661 42.059 -0.479 0.000 1.236 169 L HN 0.403 nan 8.230 nan 0.000 0.410 170 V N 6.494 126.071 119.914 -0.561 0.000 2.350 170 V HA 0.399 4.536 4.120 0.029 0.000 0.276 170 V C 0.164 175.978 176.094 -0.468 0.000 1.028 170 V CA -0.539 61.386 62.300 -0.625 0.000 0.860 170 V CB 1.326 32.592 31.823 -0.927 0.000 0.990 170 V HN 0.584 nan 8.190 nan 0.000 0.453 171 L N 4.743 125.667 121.223 -0.498 0.000 2.276 171 L HA 0.537 4.894 4.340 0.029 0.000 0.286 171 L C 1.249 177.977 176.870 -0.236 0.000 1.061 171 L CA -0.135 54.422 54.840 -0.471 0.000 0.807 171 L CB 0.873 42.404 42.059 -0.881 0.000 1.177 171 L HN 0.764 nan 8.230 nan 0.000 0.429 172 G N 1.538 110.287 108.800 -0.085 0.000 2.690 172 G HA2 0.006 3.984 3.960 0.029 0.000 0.239 172 G HA3 0.006 3.984 3.960 0.029 0.000 0.239 172 G C 0.731 175.672 174.900 0.067 0.000 1.233 172 G CA -0.437 44.670 45.100 0.013 0.000 0.847 172 G HN 0.725 nan 8.290 nan 0.000 0.588 173 E N -0.232 120.017 120.200 0.082 0.000 2.265 173 E HA -0.119 4.248 4.350 0.029 0.000 0.196 173 E C 2.467 179.147 176.600 0.134 0.000 0.996 173 E CA 1.576 58.041 56.400 0.108 0.000 0.832 173 E CB -0.283 29.474 29.700 0.095 0.000 0.756 173 E HN 0.629 nan 8.360 nan 0.000 0.491 174 T N -2.543 112.087 114.554 0.128 0.000 3.145 174 T HA 0.037 4.404 4.350 0.029 0.000 0.255 174 T C 0.521 175.309 174.700 0.147 0.000 1.039 174 T CA -0.588 61.585 62.100 0.122 0.000 0.928 174 T CB -0.573 68.345 68.868 0.084 0.000 1.029 174 T HN 0.015 nan 8.240 nan 0.000 0.554 175 Y N 1.495 121.830 120.300 0.057 0.000 2.480 175 Y HA 0.443 5.010 4.550 0.028 0.000 0.338 175 Y C 1.297 177.293 175.900 0.159 0.000 1.220 175 Y CA 1.332 59.460 58.100 0.047 0.000 1.430 175 Y CB 0.346 38.755 38.460 -0.084 0.000 1.311 175 Y HN 0.293 nan 8.280 nan 0.000 0.575 176 G N 3.728 112.135 108.800 -0.656 0.000 4.220 176 G HA2 -0.152 3.825 3.960 0.029 0.000 0.197 176 G HA3 -0.152 3.825 3.960 0.029 0.000 0.197 176 G C -0.280 174.491 174.900 -0.215 0.000 1.518 176 G CA -0.274 44.671 45.100 -0.258 0.000 0.955 176 G HN 0.569 nan 8.290 nan 0.000 0.353 177 E N 1.814 121.940 120.200 -0.124 0.000 2.415 177 E HA 0.389 4.757 4.350 0.029 0.000 0.262 177 E C -0.279 176.287 176.600 -0.057 0.000 1.038 177 E CA 0.049 56.409 56.400 -0.068 0.000 0.921 177 E CB 0.267 29.948 29.700 -0.032 0.000 0.950 177 E HN 0.347 nan 8.360 nan 0.000 0.438 178 K N 1.895 122.282 120.400 -0.022 0.000 4.418 178 K HA -0.267 4.070 4.320 0.029 0.000 0.285 178 K C -0.431 176.171 176.600 0.004 0.000 0.874 178 K CA 0.603 56.900 56.287 0.016 0.000 0.844 178 K CB -0.971 31.563 32.500 0.056 0.000 1.691 178 K HN 0.536 nan 8.250 nan 0.000 0.433 179 E N 1.906 122.086 120.200 -0.032 0.000 2.191 179 E HA 0.156 4.523 4.350 0.029 0.000 0.278 179 E C -0.921 175.692 176.600 0.023 0.000 0.972 179 E CA -0.858 55.514 56.400 -0.046 0.000 0.804 179 E CB 1.090 30.757 29.700 -0.055 0.000 1.110 179 E HN 0.236 nan 8.360 nan 0.000 0.394 180 D N 5.169 125.586 120.400 0.029 0.000 2.373 180 D HA 0.246 4.903 4.640 0.029 0.000 0.227 180 D C -1.927 174.419 176.300 0.077 0.000 1.091 180 D CA -2.545 51.479 54.000 0.040 0.000 0.840 180 D CB 1.761 42.564 40.800 0.006 0.000 1.060 180 D HN 0.245 nan 8.370 nan 0.000 0.502 181 P HA -0.142 nan 4.420 nan 0.000 0.216 181 P C 0.395 177.750 177.300 0.092 0.000 1.150 181 P CA 1.132 64.297 63.100 0.109 0.000 0.843 181 P CB 0.245 32.002 31.700 0.095 0.000 0.787 182 E N -1.134 119.103 120.200 0.061 0.000 2.494 182 E HA 0.052 4.420 4.350 0.029 0.000 0.193 182 E C 2.046 178.667 176.600 0.035 0.000 1.074 182 E CA 0.166 56.593 56.400 0.045 0.000 0.867 182 E CB -0.598 29.116 29.700 0.024 0.000 0.924 182 E HN 0.247 nan 8.360 nan 0.000 0.502 183 G N 1.477 110.304 108.800 0.045 0.000 2.545 183 G HA2 -0.273 3.704 3.960 0.029 0.000 0.222 183 G HA3 -0.273 3.704 3.960 0.029 0.000 0.222 183 G C 1.449 176.377 174.900 0.045 0.000 1.126 183 G CA 0.690 45.807 45.100 0.028 0.000 0.754 183 G HN 0.213 nan 8.290 nan 0.000 0.583 184 L N -0.169 121.123 121.223 0.115 0.000 2.477 184 L HA 0.085 4.443 4.340 0.029 0.000 0.220 184 L C 2.725 179.707 176.870 0.186 0.000 1.106 184 L CA -0.020 54.971 54.840 0.252 0.000 0.851 184 L CB -0.141 42.048 42.059 0.217 0.000 0.994 184 L HN 0.075 nan 8.230 nan 0.000 0.462 185 Q N 0.441 120.286 119.800 0.076 0.000 2.217 185 Q HA -0.241 4.116 4.340 0.029 0.000 0.209 185 Q C 1.167 177.174 176.000 0.013 0.000 0.988 185 Q CA 1.494 57.324 55.803 0.045 0.000 0.878 185 Q CB -0.339 28.412 28.738 0.022 0.000 0.909 185 Q HN 0.497 nan 8.270 nan 0.000 0.424 186 D N -0.832 119.529 120.400 -0.066 0.000 2.355 186 D HA 0.035 4.692 4.640 0.029 0.000 0.218 186 D C -0.096 176.134 176.300 -0.118 0.000 1.004 186 D CA 0.004 53.936 54.000 -0.113 0.000 0.880 186 D CB -0.116 40.576 40.800 -0.180 0.000 0.911 186 D HN 0.134 nan 8.370 nan 0.000 0.528 187 F N 1.237 121.157 119.950 -0.050 0.000 2.572 187 F HA 0.002 4.546 4.527 0.029 0.000 0.370 187 F C 1.381 177.146 175.800 -0.059 0.000 1.103 187 F CA 0.184 58.143 58.000 -0.068 0.000 1.286 187 F CB 0.370 39.322 39.000 -0.081 0.000 1.105 187 F HN -0.243 nan 8.300 nan 0.000 0.583 188 N N 2.608 121.399 118.700 0.153 0.000 2.898 188 N HA 0.271 5.028 4.740 0.029 0.000 0.245 188 N C -1.565 173.966 175.510 0.036 0.000 1.185 188 N CA -0.282 52.804 53.050 0.060 0.000 0.879 188 N CB 0.307 38.802 38.487 0.013 0.000 1.157 188 N HN 0.601 nan 8.380 nan 0.000 0.503 189 T N -0.572 113.997 114.554 0.025 0.000 2.901 189 T HA 0.190 4.558 4.350 0.029 0.000 0.293 189 T C 0.739 175.430 174.700 -0.016 0.000 1.084 189 T CA -0.714 61.376 62.100 -0.018 0.000 1.008 189 T CB 2.384 71.209 68.868 -0.071 0.000 1.170 189 T HN 0.298 nan 8.240 nan 0.000 0.509 190 E N 0.386 120.576 120.200 -0.017 0.000 2.166 190 E HA 0.130 4.497 4.350 0.029 0.000 0.192 190 E C 0.065 176.659 176.600 -0.010 0.000 0.967 190 E CA 0.243 56.637 56.400 -0.010 0.000 0.840 190 E CB 0.413 30.112 29.700 -0.003 0.000 0.795 190 E HN 0.539 nan 8.360 nan 0.000 0.470 191 S N 0.340 116.034 115.700 -0.012 0.000 2.500 191 S HA 0.533 5.020 4.470 0.029 0.000 0.301 191 S C -1.261 173.316 174.600 -0.037 0.000 1.092 191 S CA -0.700 57.498 58.200 -0.003 0.000 1.030 191 S CB 2.004 65.222 63.200 0.029 0.000 1.031 191 S HN 0.208 nan 8.310 nan 0.000 0.483 192 L N 3.251 124.456 121.223 -0.031 0.000 2.436 192 L HA 0.594 4.952 4.340 0.029 0.000 0.268 192 L C -1.558 175.323 176.870 0.018 0.000 0.974 192 L CA -0.262 54.532 54.840 -0.077 0.000 0.826 192 L CB 1.801 43.788 42.059 -0.120 0.000 1.291 192 L HN 0.784 nan 8.230 nan 0.000 0.406 193 H N 5.972 124.963 119.070 -0.132 0.000 2.727 193 H HA 0.560 5.133 4.556 0.029 0.000 0.330 193 H C -1.422 173.803 175.328 -0.171 0.000 0.986 193 H CA -0.881 55.120 56.048 -0.080 0.000 1.251 193 H CB 0.919 30.670 29.762 -0.018 0.000 1.493 193 H HN 0.440 nan 8.280 nan 0.000 0.515 194 I N 6.435 127.081 120.570 0.126 0.000 2.336 194 I HA 0.173 4.360 4.170 0.029 0.000 0.292 194 I C -0.095 175.868 176.117 -0.257 0.000 0.991 194 I CA -0.796 60.344 61.300 -0.267 0.000 1.227 194 I CB 1.443 39.199 38.000 -0.407 0.000 1.366 194 I HN 0.304 nan 8.210 nan 0.000 0.466 195 V N 7.563 127.186 119.914 -0.484 0.000 2.294 195 V HA 0.328 4.466 4.120 0.029 0.000 0.272 195 V C 0.130 176.009 176.094 -0.357 0.000 1.027 195 V CA -0.486 61.634 62.300 -0.299 0.000 0.823 195 V CB 0.541 32.137 31.823 -0.378 0.000 1.030 195 V HN 0.369 nan 8.190 nan 0.000 0.457 196 F N 5.560 125.455 119.950 -0.092 0.000 2.399 196 F HA 0.416 4.962 4.527 0.031 0.000 0.313 196 F C -1.659 174.077 175.800 -0.107 0.000 1.202 196 F CA -2.089 55.799 58.000 -0.188 0.000 1.192 196 F CB 0.169 39.149 39.000 -0.033 0.000 1.256 196 F HN 0.289 nan 8.300 nan 0.000 0.558 197 P HA 0.094 nan 4.420 nan 0.000 0.269 197 P C -0.563 176.854 177.300 0.195 0.000 1.209 197 P CA -0.212 62.965 63.100 0.128 0.000 0.776 197 P CB 0.472 32.276 31.700 0.174 0.000 0.876 198 T N -1.325 113.323 114.554 0.158 0.000 2.902 198 T HA 0.287 4.654 4.350 0.029 0.000 0.280 198 T C 0.363 175.138 174.700 0.124 0.000 0.992 198 T CA -0.860 61.327 62.100 0.145 0.000 1.015 198 T CB -0.034 68.911 68.868 0.129 0.000 1.044 198 T HN 0.543 nan 8.240 nan 0.000 0.520 199 N N 0.695 119.456 118.700 0.101 0.000 2.721 199 N HA -0.162 4.595 4.740 0.029 0.000 0.249 199 N C -1.087 174.467 175.510 0.074 0.000 1.072 199 N CA 0.526 53.622 53.050 0.077 0.000 0.710 199 N CB -0.802 37.726 38.487 0.069 0.000 0.993 199 N HN 0.598 nan 8.380 nan 0.000 0.547 200 K N 0.533 120.984 120.400 0.085 0.000 2.535 200 K HA 0.209 4.547 4.320 0.029 0.000 0.251 200 K C -0.706 175.884 176.600 -0.015 0.000 0.942 200 K CA -0.830 55.487 56.287 0.050 0.000 0.798 200 K CB 1.878 34.450 32.500 0.120 0.000 1.267 200 K HN -0.004 nan 8.250 nan 0.000 0.434 201 E N 1.374 121.478 120.200 -0.161 0.000 2.467 201 E HA -0.070 4.297 4.350 0.029 0.000 0.264 201 E C -0.554 175.765 176.600 -0.468 0.000 1.020 201 E CA 0.442 56.659 56.400 -0.305 0.000 0.945 201 E CB 0.334 29.733 29.700 -0.501 0.000 0.942 201 E HN 0.366 nan 8.360 nan 0.000 0.449 202 F N 2.686 122.397 119.950 -0.398 0.000 2.462 202 F HA 0.019 4.564 4.527 0.030 0.000 0.360 202 F C 0.826 176.318 175.800 -0.515 0.000 1.134 202 F CA 0.398 58.187 58.000 -0.352 0.000 1.148 202 F CB 0.064 39.017 39.000 -0.079 0.000 1.147 202 F HN 0.426 nan 8.300 nan 0.000 0.550 203 H N 5.375 123.668 119.070 -1.295 0.000 2.665 203 H HA 0.189 4.761 4.556 0.028 0.000 0.248 203 H C -0.769 173.721 175.328 -1.396 0.000 1.175 203 H CA -0.577 54.622 56.048 -1.415 0.000 0.952 203 H CB 0.258 29.368 29.762 -1.087 0.000 1.883 203 H HN 0.373 nan 8.280 nan 0.000 0.623 204 F N 1.292 120.906 119.950 -0.559 0.000 2.379 204 F HA 0.225 4.770 4.527 0.030 0.000 0.332 204 F C 1.364 177.211 175.800 0.079 0.000 1.096 204 F CA -0.927 56.923 58.000 -0.251 0.000 1.105 204 F CB 1.157 39.984 39.000 -0.287 0.000 1.189 204 F HN 0.115 nan 8.300 nan 0.000 0.515 205 I N -0.047 120.724 120.570 0.335 0.000 4.081 205 I HA 0.295 4.482 4.170 0.029 0.000 0.333 205 I C -0.112 176.191 176.117 0.310 0.000 1.413 205 I CA -0.229 61.266 61.300 0.324 0.000 1.110 205 I CB 0.391 38.536 38.000 0.241 0.000 1.082 205 I HN 0.337 nan 8.210 nan 0.000 0.402 206 L N 3.097 124.546 121.223 0.377 0.000 2.584 206 L HA 0.149 4.506 4.340 0.029 0.000 0.272 206 L C 0.096 177.143 176.870 0.295 0.000 1.195 206 L CA 0.631 55.663 54.840 0.321 0.000 0.920 206 L CB -0.083 42.188 42.059 0.353 0.000 1.173 206 L HN 0.194 nan 8.230 nan 0.000 0.489 207 D N 3.550 124.073 120.400 0.205 0.000 2.346 207 D HA 0.047 4.705 4.640 0.029 0.000 0.260 207 D C 0.969 177.363 176.300 0.156 0.000 1.252 207 D CA 0.046 54.146 54.000 0.166 0.000 0.895 207 D CB 0.941 41.810 40.800 0.115 0.000 1.097 207 D HN 0.410 nan 8.370 nan 0.000 0.489 208 V N 1.749 121.767 119.914 0.173 0.000 3.623 208 V HA 0.140 4.277 4.120 0.029 0.000 0.271 208 V C 0.907 177.054 176.094 0.090 0.000 1.248 208 V CA -0.215 62.174 62.300 0.149 0.000 1.156 208 V CB -0.416 31.538 31.823 0.217 0.000 0.870 208 V HN 0.417 nan 8.190 nan 0.000 0.453 209 S N 1.257 117.000 115.700 0.072 0.000 2.411 209 S HA 0.536 5.024 4.470 0.029 0.000 0.304 209 S C -0.390 174.236 174.600 0.042 0.000 1.098 209 S CA -0.300 57.925 58.200 0.041 0.000 1.068 209 S CB 0.341 63.557 63.200 0.027 0.000 1.032 209 S HN 0.340 nan 8.310 nan 0.000 0.511 210 V N 7.324 127.259 119.914 0.036 0.000 2.435 210 V HA 0.336 4.473 4.120 0.029 0.000 0.290 210 V C 1.478 177.586 176.094 0.023 0.000 1.030 210 V CA -0.821 61.504 62.300 0.041 0.000 0.881 210 V CB 1.618 33.474 31.823 0.055 0.000 0.983 210 V HN 0.967 nan 8.190 nan 0.000 0.445 211 K N 3.078 123.492 120.400 0.022 0.000 2.097 211 K HA -0.291 4.047 4.320 0.029 0.000 0.214 211 K C 1.682 178.284 176.600 0.002 0.000 1.052 211 K CA 2.694 58.986 56.287 0.010 0.000 0.932 211 K CB -0.142 32.365 32.500 0.012 0.000 0.716 211 K HN 0.903 nan 8.250 nan 0.000 0.455 212 T N -1.829 112.730 114.554 0.009 0.000 3.100 212 T HA 0.152 4.520 4.350 0.029 0.000 0.253 212 T C 0.629 175.324 174.700 -0.008 0.000 1.118 212 T CA -0.216 61.884 62.100 0.000 0.000 1.058 212 T CB 0.184 69.057 68.868 0.008 0.000 0.953 212 T HN -0.047 nan 8.240 nan 0.000 0.515 213 V N 2.077 121.987 119.914 -0.007 0.000 2.470 213 V HA 0.565 4.703 4.120 0.029 0.000 0.276 213 V C 1.405 177.485 176.094 -0.023 0.000 1.040 213 V CA 0.071 62.363 62.300 -0.014 0.000 1.008 213 V CB 0.453 32.270 31.823 -0.010 0.000 0.990 213 V HN 0.546 nan 8.190 nan 0.000 0.477 214 A N 4.618 127.423 122.820 -0.025 0.000 2.014 214 A HA 0.216 4.553 4.320 0.029 0.000 0.210 214 A C 0.821 178.397 177.584 -0.014 0.000 1.188 214 A CA 0.175 52.188 52.037 -0.039 0.000 0.731 214 A CB -0.056 18.918 19.000 -0.044 0.000 0.858 214 A HN 0.794 nan 8.150 nan 0.000 0.464 215 N N -0.081 118.623 118.700 0.007 0.000 2.518 215 N HA 0.517 5.274 4.740 0.029 0.000 0.254 215 N C -1.343 174.184 175.510 0.028 0.000 0.979 215 N CA -0.276 52.793 53.050 0.032 0.000 0.930 215 N CB 2.111 40.621 38.487 0.039 0.000 1.152 215 N HN 0.256 nan 8.380 nan 0.000 0.505 216 L N 1.497 122.745 121.223 0.040 0.000 2.317 216 L HA 0.508 4.866 4.340 0.029 0.000 0.281 216 L C -0.566 176.340 176.870 0.060 0.000 1.024 216 L CA -0.396 54.472 54.840 0.047 0.000 0.810 216 L CB 1.437 43.527 42.059 0.052 0.000 1.240 216 L HN 0.524 nan 8.230 nan 0.000 0.427 217 E N 4.664 124.888 120.200 0.039 0.000 2.246 217 E HA 0.600 4.967 4.350 0.029 0.000 0.266 217 E C -1.951 174.718 176.600 0.115 0.000 0.880 217 E CA -0.572 55.809 56.400 -0.032 0.000 0.762 217 E CB 1.326 30.811 29.700 -0.359 0.000 1.180 217 E HN 0.665 nan 8.360 nan 0.000 0.416 218 L N 2.859 124.214 121.223 0.219 0.000 2.386 218 L HA 0.501 4.858 4.340 0.029 0.000 0.271 218 L C 0.175 177.281 176.870 0.393 0.000 0.993 218 L CA -0.593 54.496 54.840 0.415 0.000 0.819 218 L CB 1.960 44.335 42.059 0.527 0.000 1.294 218 L HN 0.539 nan 8.230 nan 0.000 0.414 219 S N 0.262 116.250 115.700 0.479 0.000 3.464 219 S HA 0.194 4.682 4.470 0.029 0.000 0.176 219 S C 0.135 174.912 174.600 0.295 0.000 0.824 219 S CA -0.522 57.901 58.200 0.370 0.000 1.290 219 S CB 0.146 63.581 63.200 0.392 0.000 0.644 219 S HN 0.699 nan 8.310 nan 0.000 0.659 220 N N 2.400 121.274 118.700 0.289 0.000 2.355 220 N HA 0.014 4.771 4.740 0.029 0.000 0.282 220 N C -1.113 174.515 175.510 0.197 0.000 1.374 220 N CA 0.735 53.919 53.050 0.224 0.000 0.929 220 N CB -0.556 38.071 38.487 0.234 0.000 1.278 220 N HN 0.322 nan 8.380 nan 0.000 0.491 221 I N 1.551 122.134 120.570 0.021 0.000 2.439 221 I HA 0.227 4.414 4.170 0.029 0.000 0.283 221 I C 0.075 176.112 176.117 -0.132 0.000 1.023 221 I CA -0.501 60.689 61.300 -0.184 0.000 1.100 221 I CB 1.588 39.163 38.000 -0.709 0.000 1.238 221 I HN 0.194 nan 8.210 nan 0.000 0.445 222 K N 6.830 127.223 120.400 -0.011 0.000 2.471 222 K HA 0.735 5.072 4.320 0.029 0.000 0.252 222 K C -1.394 175.213 176.600 0.011 0.000 0.938 222 K CA -0.461 55.822 56.287 -0.007 0.000 0.796 222 K CB 1.633 34.150 32.500 0.029 0.000 1.161 222 K HN 0.815 nan 8.250 nan 0.000 0.425 223 c N 2.901 121.502 118.600 0.002 0.000 3.296 223 c HA 0.267 4.854 4.570 0.029 0.000 0.317 223 c C 0.653 174.773 174.090 0.049 0.000 1.040 223 c CA -0.979 55.378 56.329 0.046 0.000 1.352 223 c CB -0.841 41.725 42.510 0.093 0.000 1.797 223 c HN 0.578 nan 8.230 nan 0.000 0.552 224 V N -0.672 119.269 119.914 0.045 0.000 3.514 224 V HA 0.356 4.493 4.120 0.029 0.000 0.301 224 V C 0.332 176.466 176.094 0.067 0.000 1.346 224 V CA 0.302 62.632 62.300 0.050 0.000 1.156 224 V CB -0.446 31.400 31.823 0.038 0.000 1.029 224 V HN 0.736 nan 8.190 nan 0.000 0.428 225 L N 1.014 122.284 121.223 0.079 0.000 2.259 225 L HA 0.457 4.815 4.340 0.029 0.000 0.288 225 L C 1.557 178.478 176.870 0.084 0.000 1.051 225 L CA -0.266 54.625 54.840 0.085 0.000 0.824 225 L CB 1.199 43.320 42.059 0.104 0.000 1.206 225 L HN 0.133 nan 8.230 nan 0.000 0.429 226 E N 1.365 121.611 120.200 0.078 0.000 2.085 226 E HA -0.140 4.228 4.350 0.029 0.000 0.194 226 E C 0.043 176.678 176.600 0.058 0.000 0.994 226 E CA 1.089 57.532 56.400 0.073 0.000 0.801 226 E CB 0.194 29.938 29.700 0.074 0.000 0.743 226 E HN 0.606 nan 8.360 nan 0.000 0.453 227 D N 1.944 122.378 120.400 0.056 0.000 2.383 227 D HA -0.001 4.656 4.640 0.029 0.000 0.252 227 D C 0.150 176.479 176.300 0.050 0.000 1.166 227 D CA 0.124 54.150 54.000 0.043 0.000 0.879 227 D CB 0.395 41.219 40.800 0.041 0.000 1.164 227 D HN 0.034 nan 8.370 nan 0.000 0.462 228 N N 1.641 120.359 118.700 0.030 0.000 2.727 228 N HA -0.203 4.555 4.740 0.029 0.000 0.251 228 N C -0.475 175.073 175.510 0.064 0.000 1.040 228 N CA 0.498 53.566 53.050 0.028 0.000 0.712 228 N CB -0.909 37.600 38.487 0.036 0.000 0.912 228 N HN 0.590 nan 8.380 nan 0.000 0.545 229 K N -0.873 119.560 120.400 0.054 0.000 2.382 229 K HA 0.360 4.697 4.320 0.029 0.000 0.286 229 K C 0.700 177.357 176.600 0.094 0.000 1.062 229 K CA -0.014 56.319 56.287 0.078 0.000 1.000 229 K CB 0.126 32.665 32.500 0.065 0.000 0.954 229 K HN 0.298 nan 8.250 nan 0.000 0.470 230 c N 2.783 121.470 118.600 0.145 0.000 4.165 230 c HA -0.206 4.381 4.570 0.029 0.000 0.299 230 c C 2.148 176.339 174.090 0.170 0.000 1.445 230 c CA 0.818 57.264 56.329 0.197 0.000 2.029 230 c CB -3.352 39.280 42.510 0.203 0.000 1.288 230 c HN 1.061 nan 8.230 nan 0.000 0.752 231 S N -1.092 114.669 115.700 0.102 0.000 2.382 231 S HA -0.199 4.289 4.470 0.029 0.000 0.228 231 S C 1.264 175.863 174.600 -0.002 0.000 1.027 231 S CA 1.874 60.061 58.200 -0.020 0.000 0.991 231 S CB -0.416 62.697 63.200 -0.144 0.000 0.823 231 S HN 0.717 nan 8.310 nan 0.000 0.469 232 Y N 0.506 120.929 120.300 0.204 0.000 2.133 232 Y HA -0.001 4.567 4.550 0.030 0.000 0.287 232 Y C 2.346 178.452 175.900 0.342 0.000 1.134 232 Y CA 1.567 59.845 58.100 0.295 0.000 1.133 232 Y CB -0.664 38.041 38.460 0.408 0.000 0.987 232 Y HN 0.334 nan 8.280 nan 0.000 0.502 233 F N 0.360 120.462 119.950 0.254 0.000 2.102 233 F HA -0.218 4.325 4.527 0.026 0.000 0.298 233 F C 1.904 177.649 175.800 -0.092 0.000 1.105 233 F CA 1.436 59.276 58.000 -0.267 0.000 1.239 233 F CB -0.701 37.901 39.000 -0.663 0.000 0.991 233 F HN -0.076 nan 8.300 nan 0.000 0.474 234 L N -0.724 120.437 121.223 -0.103 0.000 2.131 234 L HA -0.234 4.123 4.340 0.029 0.000 0.210 234 L C 2.494 179.267 176.870 -0.162 0.000 1.092 234 L CA 1.293 56.023 54.840 -0.183 0.000 0.759 234 L CB -0.841 41.190 42.059 -0.047 0.000 0.903 234 L HN 0.088 nan 8.230 nan 0.000 0.435 235 S N 0.377 116.036 115.700 -0.067 0.000 2.368 235 S HA -0.140 4.348 4.470 0.029 0.000 0.224 235 S C 1.924 176.508 174.600 -0.027 0.000 1.029 235 S CA 1.610 59.792 58.200 -0.029 0.000 0.988 235 S CB -0.251 62.965 63.200 0.026 0.000 0.838 235 S HN 0.554 nan 8.310 nan 0.000 0.462 236 I N -0.881 119.678 120.570 -0.017 0.000 2.439 236 I HA -0.016 4.172 4.170 0.029 0.000 0.251 236 I C 1.926 177.973 176.117 -0.117 0.000 1.139 236 I CA 1.182 62.486 61.300 0.007 0.000 1.438 236 I CB -0.404 37.683 38.000 0.145 0.000 1.085 236 I HN 0.158 nan 8.210 nan 0.000 0.427 237 L N 1.450 122.489 121.223 -0.307 0.000 2.093 237 L HA -0.093 4.264 4.340 0.029 0.000 0.208 237 L C 3.085 179.859 176.870 -0.161 0.000 1.085 237 L CA 1.271 55.928 54.840 -0.303 0.000 0.755 237 L CB -0.595 41.184 42.059 -0.466 0.000 0.904 237 L HN 0.390 nan 8.230 nan 0.000 0.435 238 A N 0.119 122.862 122.820 -0.128 0.000 1.933 238 A HA -0.246 4.092 4.320 0.029 0.000 0.218 238 A C 2.190 179.744 177.584 -0.050 0.000 1.175 238 A CA 1.653 53.645 52.037 -0.075 0.000 0.628 238 A CB -0.341 18.622 19.000 -0.062 0.000 0.814 238 A HN 0.261 nan 8.150 nan 0.000 0.444 239 K N -0.379 119.999 120.400 -0.038 0.000 2.519 239 K HA 0.100 4.437 4.320 0.029 0.000 0.196 239 K C 1.328 177.917 176.600 -0.018 0.000 1.041 239 K CA 0.456 56.734 56.287 -0.015 0.000 0.954 239 K CB -0.268 32.239 32.500 0.012 0.000 0.774 239 K HN 0.513 nan 8.250 nan 0.000 0.480 240 L N 0.009 121.210 121.223 -0.037 0.000 2.395 240 L HA -0.103 4.254 4.340 0.029 0.000 0.218 240 L C 2.265 179.112 176.870 -0.039 0.000 1.130 240 L CA 0.468 55.285 54.840 -0.038 0.000 0.826 240 L CB -0.121 41.902 42.059 -0.060 0.000 0.941 240 L HN 0.180 nan 8.230 nan 0.000 0.451 241 Q N -0.161 119.618 119.800 -0.035 0.000 2.226 241 Q HA -0.200 4.157 4.340 0.029 0.000 0.204 241 Q C 2.025 178.012 176.000 -0.022 0.000 0.975 241 Q CA 1.822 57.610 55.803 -0.026 0.000 0.866 241 Q CB -0.165 28.562 28.738 -0.018 0.000 0.915 241 Q HN 0.179 nan 8.270 nan 0.000 0.440 242 T N -0.443 114.099 114.554 -0.020 0.000 3.148 242 T HA 0.025 4.392 4.350 0.029 0.000 0.253 242 T C -0.010 174.680 174.700 -0.017 0.000 1.134 242 T CA 0.114 62.204 62.100 -0.016 0.000 1.051 242 T CB -0.454 68.408 68.868 -0.010 0.000 0.959 242 T HN 0.368 nan 8.240 nan 0.000 0.525 243 N N 1.151 119.837 118.700 -0.023 0.000 2.817 243 N HA 0.235 4.992 4.740 0.029 0.000 0.234 243 N C -2.278 173.206 175.510 -0.042 0.000 1.066 243 N CA -1.939 51.094 53.050 -0.027 0.000 0.926 243 N CB 1.467 39.940 38.487 -0.024 0.000 1.176 243 N HN 0.070 nan 8.380 nan 0.000 0.506 244 P HA -0.137 nan 4.420 nan 0.000 0.223 244 P C 0.960 178.208 177.300 -0.087 0.000 1.144 244 P CA 0.897 63.964 63.100 -0.055 0.000 0.783 244 P CB 0.260 31.936 31.700 -0.040 0.000 0.771 245 K N -0.641 119.713 120.400 -0.077 0.000 2.296 245 K HA -0.027 4.310 4.320 0.029 0.000 0.200 245 K C 0.530 177.058 176.600 -0.120 0.000 1.048 245 K CA -0.059 56.170 56.287 -0.097 0.000 0.966 245 K CB -0.433 32.029 32.500 -0.064 0.000 0.754 245 K HN 0.064 nan 8.250 nan 0.000 0.466 246 L N 1.168 122.331 121.223 -0.100 0.000 2.615 246 L HA -0.070 4.287 4.340 0.029 0.000 0.271 246 L C 0.866 177.640 176.870 -0.160 0.000 1.183 246 L CA 0.621 55.403 54.840 -0.097 0.000 0.933 246 L CB 1.084 43.100 42.059 -0.071 0.000 1.199 246 L HN -0.077 nan 8.230 nan 0.000 0.487 247 S N 3.065 118.675 115.700 -0.151 0.000 2.564 247 S HA 0.312 4.799 4.470 0.029 0.000 0.231 247 S C 0.272 174.860 174.600 -0.019 0.000 1.067 247 S CA -0.103 57.960 58.200 -0.228 0.000 0.908 247 S CB 0.122 63.158 63.200 -0.273 0.000 0.809 247 S HN 0.788 nan 8.310 nan 0.000 0.491 248 N N 0.655 119.403 118.700 0.080 0.000 2.238 248 N HA 0.640 5.398 4.740 0.029 0.000 0.302 248 N C -1.754 173.835 175.510 0.132 0.000 1.072 248 N CA -0.496 52.670 53.050 0.194 0.000 0.792 248 N CB 2.080 40.707 38.487 0.234 0.000 1.425 248 N HN 0.214 nan 8.380 nan 0.000 0.478 249 L N 0.859 122.195 121.223 0.188 0.000 2.436 249 L HA 0.696 5.053 4.340 0.029 0.000 0.268 249 L C -1.216 175.857 176.870 0.337 0.000 0.974 249 L CA -0.087 54.864 54.840 0.185 0.000 0.826 249 L CB 2.092 44.178 42.059 0.045 0.000 1.291 249 L HN 0.572 nan 8.230 nan 0.000 0.406 250 T N 5.945 120.652 114.554 0.256 0.000 2.879 250 T HA 0.648 5.015 4.350 0.029 0.000 0.290 250 T C -0.785 174.057 174.700 0.237 0.000 0.993 250 T CA -0.352 61.891 62.100 0.239 0.000 0.975 250 T CB 1.161 70.093 68.868 0.108 0.000 0.981 250 T HN 0.446 nan 8.240 nan 0.000 0.439 251 L N 3.998 125.386 121.223 0.275 0.000 2.333 251 L HA 0.603 4.961 4.340 0.029 0.000 0.280 251 L C -0.245 176.735 176.870 0.185 0.000 1.004 251 L CA -0.978 54.021 54.840 0.264 0.000 0.820 251 L CB 1.399 43.669 42.059 0.351 0.000 1.247 251 L HN 0.528 nan 8.230 nan 0.000 0.416 252 N N 2.902 121.702 118.700 0.167 0.000 2.265 252 N HA 0.332 5.089 4.740 0.029 0.000 0.300 252 N C -0.976 174.608 175.510 0.124 0.000 1.148 252 N CA -0.771 52.363 53.050 0.140 0.000 0.772 252 N CB 1.795 40.374 38.487 0.153 0.000 1.434 252 N HN 0.510 nan 8.380 nan 0.000 0.481 253 N N 0.629 119.385 118.700 0.093 0.000 2.608 253 N HA -0.179 4.578 4.740 0.029 0.000 0.273 253 N C -0.864 174.668 175.510 0.036 0.000 1.133 253 N CA 0.766 53.857 53.050 0.069 0.000 0.726 253 N CB -1.133 37.413 38.487 0.098 0.000 0.890 253 N HN 0.540 nan 8.380 nan 0.000 0.548 254 I N 0.216 120.789 120.570 0.006 0.000 2.359 254 I HA 0.249 4.437 4.170 0.029 0.000 0.294 254 I C 0.604 176.686 176.117 -0.057 0.000 0.987 254 I CA -0.465 60.812 61.300 -0.038 0.000 1.225 254 I CB 1.770 39.769 38.000 -0.002 0.000 1.366 254 I HN 0.141 nan 8.210 nan 0.000 0.466 255 E N 5.019 125.182 120.200 -0.061 0.000 2.235 255 E HA 0.499 4.867 4.350 0.029 0.000 0.252 255 E C -1.098 175.471 176.600 -0.051 0.000 0.886 255 E CA -0.208 56.158 56.400 -0.057 0.000 0.767 255 E CB 1.707 31.392 29.700 -0.024 0.000 1.205 255 E HN 0.664 nan 8.360 nan 0.000 0.421 256 T N 1.356 115.872 114.554 -0.064 0.000 2.648 256 T HA 0.383 4.750 4.350 0.029 0.000 0.304 256 T C -0.808 173.874 174.700 -0.029 0.000 1.312 256 T CA -0.179 61.910 62.100 -0.018 0.000 1.023 256 T CB 1.086 69.969 68.868 0.025 0.000 1.612 256 T HN 0.482 nan 8.240 nan 0.000 0.487 257 T N -0.889 113.690 114.554 0.042 0.000 2.902 257 T HA 0.361 4.728 4.350 0.029 0.000 0.280 257 T C 0.851 175.620 174.700 0.116 0.000 0.992 257 T CA -0.464 61.684 62.100 0.080 0.000 1.015 257 T CB 0.815 69.766 68.868 0.139 0.000 1.044 257 T HN 0.722 nan 8.240 nan 0.000 0.520 258 W N 0.638 122.001 121.300 0.106 0.000 2.338 258 W HA -0.077 4.602 4.660 0.032 0.000 0.304 258 W C 2.407 179.027 176.519 0.168 0.000 1.212 258 W CA 0.861 58.277 57.345 0.119 0.000 1.264 258 W CB -0.393 29.056 29.460 -0.019 0.000 1.142 258 W HN 0.667 nan 8.180 nan 0.000 0.512 259 N N -0.193 118.716 118.700 0.348 0.000 2.058 259 N HA -0.159 4.598 4.740 0.029 0.000 0.191 259 N C 1.727 177.406 175.510 0.281 0.000 1.037 259 N CA 1.996 55.216 53.050 0.284 0.000 0.848 259 N CB -1.095 37.493 38.487 0.169 0.000 1.021 259 N HN -0.014 nan 8.380 nan 0.000 0.422 260 S N 0.771 116.606 115.700 0.225 0.000 2.370 260 S HA -0.107 4.380 4.470 0.029 0.000 0.226 260 S C 1.713 176.481 174.600 0.280 0.000 1.033 260 S CA 0.605 58.928 58.200 0.204 0.000 1.011 260 S CB -0.429 62.871 63.200 0.166 0.000 0.852 260 S HN 0.339 nan 8.310 nan 0.000 0.457 261 F N 2.605 122.645 119.950 0.151 0.000 2.095 261 F HA -0.137 4.404 4.527 0.024 0.000 0.298 261 F C 1.797 177.753 175.800 0.260 0.000 1.104 261 F CA 1.127 59.224 58.000 0.162 0.000 1.232 261 F CB -0.325 38.711 39.000 0.059 0.000 0.987 261 F HN 0.099 nan 8.300 nan 0.000 0.475 262 I N 0.363 121.110 120.570 0.296 0.000 2.394 262 I HA -0.208 3.979 4.170 0.029 0.000 0.251 262 I C 2.400 178.704 176.117 0.311 0.000 1.136 262 I CA 1.205 62.637 61.300 0.220 0.000 1.425 262 I CB -1.328 36.838 38.000 0.277 0.000 1.079 262 I HN 0.209 nan 8.210 nan 0.000 0.425 263 R N 0.428 121.121 120.500 0.321 0.000 2.092 263 R HA -0.053 4.304 4.340 0.029 0.000 0.231 263 R C 2.360 178.742 176.300 0.136 0.000 1.119 263 R CA 1.076 57.300 56.100 0.207 0.000 0.970 263 R CB -0.204 30.128 30.300 0.053 0.000 0.864 263 R HN 0.288 nan 8.270 nan 0.000 0.440 264 I N 0.551 121.210 120.570 0.149 0.000 2.163 264 I HA -0.302 3.886 4.170 0.029 0.000 0.243 264 I C 2.074 178.306 176.117 0.192 0.000 1.085 264 I CA 0.985 62.388 61.300 0.172 0.000 1.347 264 I CB -0.228 37.930 38.000 0.265 0.000 1.044 264 I HN 0.113 nan 8.210 nan 0.000 0.408 265 L N 0.527 121.852 121.223 0.169 0.000 2.012 265 L HA -0.263 4.094 4.340 0.029 0.000 0.210 265 L C 2.588 179.700 176.870 0.403 0.000 1.073 265 L CA 1.891 56.937 54.840 0.342 0.000 0.748 265 L CB -0.987 41.151 42.059 0.132 0.000 0.891 265 L HN 0.263 nan 8.230 nan 0.000 0.431 266 Q N -0.595 119.317 119.800 0.186 0.000 2.050 266 Q HA -0.226 4.131 4.340 0.029 0.000 0.202 266 Q C 2.302 178.205 176.000 -0.161 0.000 0.980 266 Q CA 1.990 57.614 55.803 -0.299 0.000 0.840 266 Q CB -0.574 27.941 28.738 -0.372 0.000 0.898 266 Q HN 0.527 nan 8.270 nan 0.000 0.424 267 L N -0.723 120.483 121.223 -0.028 0.000 2.017 267 L HA -0.147 4.211 4.340 0.029 0.000 0.208 267 L C 2.025 178.880 176.870 -0.025 0.000 1.073 267 L CA 1.222 56.050 54.840 -0.020 0.000 0.745 267 L CB -0.227 41.814 42.059 -0.031 0.000 0.894 267 L HN 0.177 nan 8.230 nan 0.000 0.432 268 V N -1.106 118.790 119.914 -0.031 0.000 2.515 268 V HA -0.308 3.829 4.120 0.029 0.000 0.250 268 V C 2.139 178.175 176.094 -0.095 0.000 1.058 268 V CA 1.735 63.927 62.300 -0.179 0.000 1.064 268 V CB -0.813 30.681 31.823 -0.549 0.000 0.675 268 V HN 0.663 nan 8.190 nan 0.000 0.461 269 W N 0.393 121.591 121.300 -0.170 0.000 2.331 269 W HA -0.192 4.491 4.660 0.037 0.000 0.291 269 W C 2.112 178.523 176.519 -0.179 0.000 1.214 269 W CA 1.751 58.997 57.345 -0.164 0.000 1.228 269 W CB -0.181 29.128 29.460 -0.252 0.000 1.135 269 W HN 0.420 nan 8.180 nan 0.000 0.537 270 H N -0.529 118.610 119.070 0.115 0.000 2.524 270 H HA 0.075 4.647 4.556 0.027 0.000 0.280 270 H C 1.181 176.495 175.328 -0.024 0.000 1.018 270 H CA 1.146 57.216 56.048 0.036 0.000 1.165 270 H CB -0.433 29.342 29.762 0.022 0.000 1.411 270 H HN -0.048 nan 8.280 nan 0.000 0.569 271 T N -1.482 113.086 114.554 0.023 0.000 2.865 271 T HA 0.113 4.480 4.350 0.029 0.000 0.302 271 T C 1.645 176.329 174.700 -0.027 0.000 1.078 271 T CA 0.029 62.114 62.100 -0.025 0.000 0.942 271 T CB 0.879 69.693 68.868 -0.091 0.000 1.387 271 T HN 0.174 nan 8.240 nan 0.000 0.557 272 T N -1.679 112.852 114.554 -0.039 0.000 3.086 272 T HA 0.247 4.615 4.350 0.029 0.000 0.250 272 T C 0.931 175.615 174.700 -0.027 0.000 1.074 272 T CA -0.043 62.046 62.100 -0.018 0.000 0.988 272 T CB -1.149 67.688 68.868 -0.053 0.000 0.988 272 T HN 0.848 nan 8.240 nan 0.000 0.530 273 V N -1.094 118.781 119.914 -0.066 0.000 2.763 273 V HA 0.229 4.367 4.120 0.029 0.000 0.306 273 V C 0.778 176.909 176.094 0.062 0.000 1.059 273 V CA -0.566 61.696 62.300 -0.064 0.000 1.138 273 V CB 0.407 32.157 31.823 -0.122 0.000 0.940 273 V HN 0.375 nan 8.190 nan 0.000 0.489 274 W N 2.561 123.647 121.300 -0.356 0.000 2.699 274 W HA 0.412 5.089 4.660 0.028 0.000 0.265 274 W C 0.341 176.446 176.519 -0.690 0.000 1.210 274 W CA -0.462 56.498 57.345 -0.642 0.000 1.414 274 W CB -0.375 28.455 29.460 -1.051 0.000 1.043 274 W HN 0.676 nan 8.180 nan 0.000 0.599 275 Y N -0.288 120.191 120.300 0.298 0.000 2.326 275 Y HA 0.365 4.932 4.550 0.029 0.000 0.331 275 Y C -0.722 175.364 175.900 0.310 0.000 0.962 275 Y CA -1.169 57.088 58.100 0.262 0.000 1.167 275 Y CB 1.017 39.611 38.460 0.223 0.000 1.148 275 Y HN -0.315 nan 8.280 nan 0.000 0.463 276 F N 2.864 122.959 119.950 0.242 0.000 2.449 276 F HA 0.655 5.198 4.527 0.027 0.000 0.342 276 F C -0.620 175.324 175.800 0.240 0.000 1.127 276 F CA -0.559 57.562 58.000 0.203 0.000 0.975 276 F CB 0.978 40.070 39.000 0.154 0.000 1.146 276 F HN 0.407 nan 8.300 nan 0.000 0.444 277 S N 6.931 122.840 115.700 0.349 0.000 2.502 277 S HA 0.653 5.140 4.470 0.029 0.000 0.304 277 S C -0.751 173.882 174.600 0.056 0.000 1.097 277 S CA -0.600 57.685 58.200 0.142 0.000 1.045 277 S CB 1.824 65.140 63.200 0.193 0.000 1.019 277 S HN 0.512 nan 8.310 nan 0.000 0.481 278 I N 2.856 123.431 120.570 0.009 0.000 2.533 278 I HA 0.526 4.713 4.170 0.029 0.000 0.290 278 I C -0.400 175.794 176.117 0.130 0.000 1.056 278 I CA -0.453 60.886 61.300 0.065 0.000 1.057 278 I CB 2.142 40.163 38.000 0.036 0.000 1.240 278 I HN 0.685 nan 8.210 nan 0.000 0.423 279 S N 3.274 119.051 115.700 0.128 0.000 2.540 279 S HA 0.589 5.076 4.470 0.029 0.000 0.275 279 S C -0.785 173.864 174.600 0.081 0.000 1.123 279 S CA -0.836 57.435 58.200 0.119 0.000 0.907 279 S CB 1.728 64.994 63.200 0.110 0.000 1.081 279 S HN 0.736 nan 8.310 nan 0.000 0.476 280 N N -0.487 118.246 118.700 0.055 0.000 2.522 280 N HA -0.084 4.673 4.740 0.029 0.000 0.281 280 N C -1.206 174.300 175.510 -0.007 0.000 1.267 280 N CA 0.676 53.740 53.050 0.024 0.000 0.675 280 N CB -1.118 37.392 38.487 0.039 0.000 0.890 280 N HN 0.707 nan 8.380 nan 0.000 0.542 281 V N 1.533 121.409 119.914 -0.064 0.000 2.604 281 V HA 0.548 4.685 4.120 0.029 0.000 0.305 281 V C 0.066 176.047 176.094 -0.189 0.000 1.043 281 V CA -0.733 61.477 62.300 -0.150 0.000 0.888 281 V CB 2.205 33.858 31.823 -0.283 0.000 0.995 281 V HN 0.173 nan 8.190 nan 0.000 0.429 282 K N 4.647 124.936 120.400 -0.185 0.000 2.358 282 K HA 0.675 5.013 4.320 0.029 0.000 0.260 282 K C -1.519 174.931 176.600 -0.250 0.000 0.956 282 K CA -0.724 55.464 56.287 -0.165 0.000 0.834 282 K CB 2.456 34.905 32.500 -0.085 0.000 1.102 282 K HN 0.300 nan 8.250 nan 0.000 0.431 283 L N 2.443 123.473 121.223 -0.322 0.000 2.342 283 L HA 0.455 4.812 4.340 0.029 0.000 0.271 283 L C 0.012 176.762 176.870 -0.200 0.000 1.008 283 L CA -0.295 54.259 54.840 -0.478 0.000 0.818 283 L CB 1.784 43.166 42.059 -1.129 0.000 1.296 283 L HN 0.732 nan 8.230 nan 0.000 0.427 284 Q N 1.316 121.062 119.800 -0.091 0.000 2.626 284 Q HA 0.823 5.181 4.340 0.029 0.000 0.300 284 Q C -0.229 175.954 176.000 0.304 0.000 0.988 284 Q CA -0.553 55.342 55.803 0.152 0.000 0.761 284 Q CB 1.980 30.778 28.738 0.100 0.000 1.494 284 Q HN 0.888 nan 8.270 nan 0.000 0.439 285 G N 0.399 109.402 108.800 0.338 0.000 2.725 285 G HA2 -0.103 3.875 3.960 0.029 0.000 0.220 285 G HA3 -0.103 3.875 3.960 0.029 0.000 0.220 285 G C -1.326 173.853 174.900 0.466 0.000 1.357 285 G CA -0.402 44.901 45.100 0.338 0.000 0.866 285 G HN 0.602 nan 8.290 nan 0.000 0.548 286 Q N -0.727 119.267 119.800 0.322 0.000 2.316 286 Q HA 0.572 4.930 4.340 0.029 0.000 0.264 286 Q C -0.190 175.724 176.000 -0.143 0.000 0.987 286 Q CA -1.014 54.947 55.803 0.264 0.000 0.852 286 Q CB 2.050 30.951 28.738 0.273 0.000 1.287 286 Q HN 0.893 nan 8.270 nan 0.000 0.448 287 L N 3.366 123.975 121.223 -1.023 0.000 2.369 287 L HA 0.153 4.510 4.340 0.029 0.000 0.279 287 L C 0.120 176.730 176.870 -0.433 0.000 1.108 287 L CA 0.871 55.216 54.840 -0.825 0.000 0.852 287 L CB 0.151 41.349 42.059 -1.435 0.000 1.169 287 L HN 0.490 nan 8.230 nan 0.000 0.452 288 D N 4.056 124.379 120.400 -0.128 0.000 2.455 288 D HA -0.015 4.643 4.640 0.029 0.000 0.228 288 D C 0.057 176.362 176.300 0.007 0.000 1.070 288 D CA 0.380 54.358 54.000 -0.036 0.000 0.881 288 D CB 0.214 41.027 40.800 0.022 0.000 1.087 288 D HN 0.404 nan 8.370 nan 0.000 0.498 289 F N 3.175 123.049 119.950 -0.127 0.000 2.509 289 F HA 0.229 4.760 4.527 0.006 0.000 0.350 289 F C 1.127 176.839 175.800 -0.146 0.000 1.220 289 F CA -0.330 57.602 58.000 -0.113 0.000 1.151 289 F CB -0.026 38.939 39.000 -0.058 0.000 1.379 289 F HN -0.281 nan 8.300 nan 0.000 0.610 290 R N 1.225 121.534 120.500 -0.318 0.000 2.254 290 R HA 0.077 4.435 4.340 0.029 0.000 0.193 290 R C -0.295 175.727 176.300 -0.463 0.000 0.929 290 R CA -0.003 55.820 56.100 -0.462 0.000 1.038 290 R CB 0.191 30.196 30.300 -0.491 0.000 1.009 290 R HN 0.381 nan 8.270 nan 0.000 0.512 291 D N 1.593 121.775 120.400 -0.364 0.000 2.482 291 D HA -0.021 4.636 4.640 0.029 0.000 0.244 291 D C -0.924 175.154 176.300 -0.370 0.000 1.242 291 D CA 0.539 54.396 54.000 -0.238 0.000 1.097 291 D CB -0.402 40.378 40.800 -0.034 0.000 1.109 291 D HN -0.035 nan 8.370 nan 0.000 0.510 292 F N 1.531 121.124 119.950 -0.595 0.000 2.394 292 F HA 0.168 4.709 4.527 0.023 0.000 0.340 292 F C 0.462 175.856 175.800 -0.677 0.000 1.105 292 F CA -0.886 56.648 58.000 -0.777 0.000 1.124 292 F CB 1.114 39.450 39.000 -1.107 0.000 1.145 292 F HN -0.048 nan 8.300 nan 0.000 0.505 293 D N 4.534 124.469 120.400 -0.776 0.000 2.427 293 D HA 0.133 4.791 4.640 0.029 0.000 0.226 293 D C -0.217 175.865 176.300 -0.363 0.000 1.076 293 D CA -0.156 53.629 54.000 -0.359 0.000 0.849 293 D CB 0.337 41.053 40.800 -0.140 0.000 1.052 293 D HN 0.452 nan 8.370 nan 0.000 0.515 294 Y N 1.438 121.770 120.300 0.053 0.000 2.490 294 Y HA 0.059 4.627 4.550 0.030 0.000 0.281 294 Y C 1.555 177.671 175.900 0.360 0.000 1.174 294 Y CA -0.199 58.004 58.100 0.172 0.000 1.295 294 Y CB -0.107 38.430 38.460 0.128 0.000 1.062 294 Y HN 0.283 nan 8.280 nan 0.000 0.522 295 S N -0.133 115.798 115.700 0.386 0.000 2.593 295 S HA 0.386 4.873 4.470 0.029 0.000 0.269 295 S C 1.347 176.158 174.600 0.352 0.000 1.334 295 S CA -0.078 58.302 58.200 0.300 0.000 1.015 295 S CB 0.978 64.278 63.200 0.166 0.000 0.912 295 S HN 0.759 nan 8.310 nan 0.000 0.541 296 G N 0.614 109.542 108.800 0.213 0.000 2.273 296 G HA2 -0.217 3.761 3.960 0.029 0.000 0.280 296 G HA3 -0.217 3.761 3.960 0.029 0.000 0.280 296 G C 0.065 175.084 174.900 0.198 0.000 1.047 296 G CA 0.406 45.607 45.100 0.169 0.000 0.869 296 G HN 1.139 nan 8.290 nan 0.000 0.502 297 T N -1.426 113.213 114.554 0.142 0.000 2.944 297 T HA 0.664 5.032 4.350 0.029 0.000 0.284 297 T C 1.265 175.913 174.700 -0.088 0.000 1.010 297 T CA 0.419 62.495 62.100 -0.041 0.000 1.025 297 T CB 1.376 70.047 68.868 -0.329 0.000 1.079 297 T HN 0.259 nan 8.240 nan 0.000 0.516 298 S N 1.562 117.179 115.700 -0.139 0.000 2.666 298 S HA 0.332 4.819 4.470 0.029 0.000 0.239 298 S C 0.334 174.799 174.600 -0.226 0.000 1.031 298 S CA -0.435 57.700 58.200 -0.108 0.000 1.015 298 S CB -0.026 63.244 63.200 0.117 0.000 0.981 298 S HN 0.568 nan 8.310 nan 0.000 0.547 299 L N 2.313 123.354 121.223 -0.304 0.000 2.540 299 L HA 0.104 4.461 4.340 0.029 0.000 0.276 299 L C 1.237 177.956 176.870 -0.252 0.000 1.212 299 L CA 0.429 55.087 54.840 -0.304 0.000 0.893 299 L CB 0.527 42.284 42.059 -0.504 0.000 1.138 299 L HN 0.141 nan 8.230 nan 0.000 0.491 300 K N 2.493 122.771 120.400 -0.204 0.000 2.329 300 K HA 0.337 4.675 4.320 0.029 0.000 0.198 300 K C 0.054 176.711 176.600 0.095 0.000 1.085 300 K CA 0.261 56.476 56.287 -0.119 0.000 0.961 300 K CB 0.787 33.166 32.500 -0.201 0.000 0.971 300 K HN 0.672 nan 8.250 nan 0.000 0.502 301 A N 1.344 124.277 122.820 0.188 0.000 2.455 301 A HA 0.615 4.953 4.320 0.029 0.000 0.300 301 A C -1.962 175.822 177.584 0.333 0.000 1.040 301 A CA -0.644 51.578 52.037 0.308 0.000 0.697 301 A CB 1.418 20.656 19.000 0.397 0.000 1.265 301 A HN 0.096 nan 8.150 nan 0.000 0.407 302 L N 2.378 123.828 121.223 0.377 0.000 2.409 302 L HA 0.818 5.176 4.340 0.029 0.000 0.272 302 L C -0.311 176.811 176.870 0.420 0.000 0.980 302 L CA 0.110 55.193 54.840 0.404 0.000 0.826 302 L CB 2.073 44.407 42.059 0.460 0.000 1.268 302 L HN 0.914 nan 8.230 nan 0.000 0.407 303 S N 5.010 120.862 115.700 0.254 0.000 2.526 303 S HA 0.869 5.356 4.470 0.029 0.000 0.293 303 S C -0.711 173.935 174.600 0.077 0.000 1.092 303 S CA -0.671 57.619 58.200 0.149 0.000 0.980 303 S CB 1.455 64.775 63.200 0.199 0.000 1.048 303 S HN 0.543 nan 8.310 nan 0.000 0.483 304 I N 2.498 123.026 120.570 -0.071 0.000 2.478 304 I HA 0.426 4.613 4.170 0.029 0.000 0.287 304 I C -1.201 174.772 176.117 -0.240 0.000 1.042 304 I CA -0.540 60.736 61.300 -0.039 0.000 1.067 304 I CB 1.911 39.932 38.000 0.034 0.000 1.233 304 I HN 0.733 nan 8.210 nan 0.000 0.431 305 H N 4.883 123.959 119.070 0.009 0.000 2.637 305 H HA 0.446 5.020 4.556 0.030 0.000 0.363 305 H C -1.034 174.285 175.328 -0.016 0.000 1.131 305 H CA -0.484 55.560 56.048 -0.008 0.000 1.183 305 H CB 1.487 31.250 29.762 0.002 0.000 1.637 305 H HN 0.325 nan 8.280 nan 0.000 0.531 306 Q N 0.736 120.592 119.800 0.094 0.000 2.401 306 Q HA -0.120 4.237 4.340 0.029 0.000 0.355 306 Q C -1.246 174.744 176.000 -0.016 0.000 1.355 306 Q CA 0.365 56.189 55.803 0.035 0.000 0.971 306 Q CB -1.587 27.179 28.738 0.047 0.000 1.102 306 Q HN 0.359 nan 8.270 nan 0.000 0.309 307 V N 1.953 121.838 119.914 -0.049 0.000 2.588 307 V HA 0.722 4.859 4.120 0.029 0.000 0.304 307 V C -0.140 175.907 176.094 -0.077 0.000 1.042 307 V CA -0.869 61.365 62.300 -0.109 0.000 0.877 307 V CB 2.356 34.081 31.823 -0.164 0.000 0.996 307 V HN 0.439 nan 8.190 nan 0.000 0.425 308 V N 4.103 123.961 119.914 -0.093 0.000 2.540 308 V HA 0.828 4.966 4.120 0.029 0.000 0.302 308 V C -0.322 175.742 176.094 -0.050 0.000 1.035 308 V CA 0.105 62.380 62.300 -0.041 0.000 0.873 308 V CB 2.221 34.028 31.823 -0.026 0.000 0.992 308 V HN 0.957 nan 8.190 nan 0.000 0.428 309 S N 4.167 119.897 115.700 0.050 0.000 2.513 309 S HA 0.510 4.997 4.470 0.029 0.000 0.299 309 S C -0.812 173.908 174.600 0.199 0.000 1.087 309 S CA -0.641 57.649 58.200 0.150 0.000 1.012 309 S CB 1.675 65.138 63.200 0.437 0.000 1.044 309 S HN 0.999 nan 8.310 nan 0.000 0.485 310 D N 1.839 122.378 120.400 0.232 0.000 2.377 310 D HA 0.268 4.925 4.640 0.029 0.000 0.245 310 D C 0.143 176.586 176.300 0.238 0.000 1.196 310 D CA -0.249 53.864 54.000 0.189 0.000 0.962 310 D CB 0.929 41.836 40.800 0.178 0.000 1.127 310 D HN 0.298 nan 8.370 nan 0.000 0.471 311 V N 1.482 121.443 119.914 0.077 0.000 3.139 311 V HA 0.238 4.375 4.120 0.029 0.000 0.307 311 V C 0.111 176.205 176.094 -0.001 0.000 1.095 311 V CA 0.598 62.836 62.300 -0.102 0.000 1.160 311 V CB -0.073 31.679 31.823 -0.118 0.000 1.003 311 V HN 0.506 nan 8.190 nan 0.000 0.489 312 F N -0.159 119.703 119.950 -0.145 0.000 2.711 312 F HA 0.752 5.297 4.527 0.031 0.000 0.313 312 F C 0.553 176.140 175.800 -0.355 0.000 1.141 312 F CA -0.572 57.287 58.000 -0.234 0.000 0.941 312 F CB 1.306 40.058 39.000 -0.414 0.000 1.349 312 F HN 0.434 nan 8.300 nan 0.000 0.464 313 G N -0.217 108.583 108.800 -0.001 0.000 3.062 313 G HA2 0.242 4.219 3.960 0.029 0.000 0.228 313 G HA3 0.242 4.219 3.960 0.029 0.000 0.228 313 G C -0.208 174.658 174.900 -0.055 0.000 1.094 313 G CA -0.074 44.989 45.100 -0.061 0.000 0.782 313 G HN 0.577 nan 8.290 nan 0.000 0.541 314 F N 0.630 120.621 119.950 0.069 0.000 2.382 314 F HA 0.695 5.245 4.527 0.037 0.000 0.331 314 F C -2.572 173.046 175.800 -0.303 0.000 1.121 314 F CA -3.987 53.890 58.000 -0.205 0.000 1.183 314 F CB -0.245 38.580 39.000 -0.291 0.000 1.207 314 F HN -0.273 nan 8.300 nan 0.000 0.555 315 P HA 0.042 nan 4.420 nan 0.000 0.264 315 P C -0.011 177.118 177.300 -0.285 0.000 1.193 315 P CA 0.149 63.019 63.100 -0.384 0.000 0.763 315 P CB 0.649 32.085 31.700 -0.440 0.000 0.810 316 Q N 1.673 121.371 119.800 -0.170 0.000 2.234 316 Q HA -0.168 4.190 4.340 0.029 0.000 0.206 316 Q C 1.879 177.620 176.000 -0.431 0.000 0.980 316 Q CA 1.848 57.500 55.803 -0.251 0.000 0.869 316 Q CB -0.359 28.281 28.738 -0.164 0.000 0.912 316 Q HN 0.612 nan 8.270 nan 0.000 0.436 317 S N -0.269 115.359 115.700 -0.119 0.000 2.440 317 S HA -0.190 4.298 4.470 0.029 0.000 0.238 317 S C 1.573 176.265 174.600 0.153 0.000 1.010 317 S CA 0.754 59.000 58.200 0.076 0.000 0.972 317 S CB -0.427 62.885 63.200 0.187 0.000 0.774 317 S HN 0.321 nan 8.310 nan 0.000 0.501 318 Y N 1.883 122.132 120.300 -0.084 0.000 2.165 318 Y HA 0.021 4.579 4.550 0.013 0.000 0.286 318 Y C 2.226 178.029 175.900 -0.161 0.000 1.155 318 Y CA 0.012 58.038 58.100 -0.124 0.000 1.164 318 Y CB -0.937 37.409 38.460 -0.190 0.000 0.978 318 Y HN 0.320 nan 8.280 nan 0.000 0.513 319 I N -1.638 118.896 120.570 -0.060 0.000 2.193 319 I HA -0.329 3.859 4.170 0.029 0.000 0.240 319 I C 2.135 178.436 176.117 0.308 0.000 1.084 319 I CA 1.355 62.670 61.300 0.025 0.000 1.365 319 I CB -0.850 37.048 38.000 -0.169 0.000 1.064 319 I HN 0.096 nan 8.210 nan 0.000 0.410 320 Y N 0.959 121.418 120.300 0.264 0.000 2.207 320 Y HA -0.245 4.326 4.550 0.036 0.000 0.287 320 Y C 2.587 178.622 175.900 0.225 0.000 1.156 320 Y CA 0.693 58.943 58.100 0.250 0.000 1.182 320 Y CB -0.410 38.138 38.460 0.146 0.000 0.979 320 Y HN 0.217 nan 8.280 nan 0.000 0.521 321 E N 0.627 120.995 120.200 0.281 0.000 2.077 321 E HA -0.190 4.178 4.350 0.029 0.000 0.193 321 E C 2.063 178.708 176.600 0.076 0.000 0.989 321 E CA 1.247 57.747 56.400 0.167 0.000 0.800 321 E CB -0.179 29.582 29.700 0.102 0.000 0.746 321 E HN 0.495 nan 8.360 nan 0.000 0.452 322 I N 0.114 120.660 120.570 -0.040 0.000 2.163 322 I HA -0.279 3.908 4.170 0.029 0.000 0.243 322 I C 1.902 177.786 176.117 -0.388 0.000 1.085 322 I CA 1.296 62.393 61.300 -0.337 0.000 1.347 322 I CB -0.247 37.363 38.000 -0.650 0.000 1.044 322 I HN 0.077 nan 8.210 nan 0.000 0.408 323 F N 0.748 120.721 119.950 0.038 0.000 2.206 323 F HA -0.163 4.382 4.527 0.030 0.000 0.298 323 F C 2.896 178.832 175.800 0.226 0.000 1.090 323 F CA 1.269 59.324 58.000 0.093 0.000 1.323 323 F CB -0.726 38.478 39.000 0.340 0.000 1.028 323 F HN 0.097 nan 8.300 nan 0.000 0.492 324 S N -0.456 115.502 115.700 0.430 0.000 2.447 324 S HA -0.116 4.372 4.470 0.029 0.000 0.233 324 S C 1.347 176.075 174.600 0.214 0.000 1.006 324 S CA 1.057 59.545 58.200 0.480 0.000 0.957 324 S CB -0.464 62.974 63.200 0.398 0.000 0.773 324 S HN 0.356 nan 8.310 nan 0.000 0.507 325 N N 0.780 119.445 118.700 -0.059 0.000 2.235 325 N HA 0.307 5.064 4.740 0.029 0.000 0.209 325 N C -0.451 174.542 175.510 -0.861 0.000 1.122 325 N CA 0.036 52.835 53.050 -0.419 0.000 0.845 325 N CB 0.107 38.350 38.487 -0.407 0.000 1.004 325 N HN 0.518 nan 8.380 nan 0.000 0.499 326 M N 1.872 121.168 119.600 -0.506 0.000 2.238 326 M HA 0.025 4.522 4.480 0.029 0.000 0.350 326 M C 0.450 176.555 176.300 -0.325 0.000 1.321 326 M CA 0.019 55.143 55.300 -0.294 0.000 1.097 326 M CB 0.315 32.956 32.600 0.068 0.000 1.713 326 M HN 0.020 nan 8.290 nan 0.000 0.455 327 N N 5.842 124.505 118.700 -0.062 0.000 3.250 327 N HA 0.264 5.021 4.740 0.029 0.000 0.307 327 N C -0.890 174.624 175.510 0.007 0.000 1.355 327 N CA -0.128 52.864 53.050 -0.096 0.000 1.192 327 N CB -0.562 37.918 38.487 -0.012 0.000 1.478 327 N HN 0.692 nan 8.380 nan 0.000 0.543 328 I N -4.115 116.461 120.570 0.009 0.000 3.108 328 I HA 0.475 4.662 4.170 0.029 0.000 0.312 328 I C 0.478 176.690 176.117 0.160 0.000 1.095 328 I CA -1.204 60.145 61.300 0.083 0.000 1.000 328 I CB 2.061 40.149 38.000 0.147 0.000 1.229 328 I HN -0.252 nan 8.210 nan 0.000 0.454 329 K N 0.851 121.338 120.400 0.144 0.000 2.128 329 K HA 0.174 4.511 4.320 0.029 0.000 0.202 329 K C -0.075 176.677 176.600 0.252 0.000 1.050 329 K CA 0.865 57.249 56.287 0.161 0.000 0.966 329 K CB -0.021 32.526 32.500 0.077 0.000 0.759 329 K HN 0.532 nan 8.250 nan 0.000 0.454 330 N N 0.202 119.071 118.700 0.282 0.000 2.392 330 N HA 0.274 5.031 4.740 0.029 0.000 0.283 330 N C -1.730 174.020 175.510 0.401 0.000 1.003 330 N CA -0.374 52.860 53.050 0.307 0.000 0.892 330 N CB 1.035 39.690 38.487 0.281 0.000 1.193 330 N HN -0.083 nan 8.380 nan 0.000 0.487 331 F N 1.157 121.162 119.950 0.093 0.000 2.588 331 F HA 0.506 5.050 4.527 0.028 0.000 0.318 331 F C -1.136 174.663 175.800 -0.000 0.000 1.155 331 F CA -0.506 57.550 58.000 0.093 0.000 0.967 331 F CB 1.443 40.491 39.000 0.081 0.000 1.236 331 F HN 0.250 nan 8.300 nan 0.000 0.455 332 T N 5.417 119.847 114.554 -0.207 0.000 2.886 332 T HA 0.716 5.084 4.350 0.029 0.000 0.292 332 T C -1.449 172.961 174.700 -0.484 0.000 1.012 332 T CA -0.629 61.272 62.100 -0.332 0.000 0.982 332 T CB 1.926 70.716 68.868 -0.128 0.000 1.018 332 T HN 0.361 nan 8.240 nan 0.000 0.451 333 V N 2.737 122.418 119.914 -0.389 0.000 2.532 333 V HA 0.631 4.768 4.120 0.029 0.000 0.294 333 V C -0.604 175.333 176.094 -0.261 0.000 1.036 333 V CA -0.648 61.421 62.300 -0.385 0.000 0.876 333 V CB 1.780 33.324 31.823 -0.466 0.000 1.012 333 V HN 0.966 nan 8.190 nan 0.000 0.432 334 S N 2.035 117.544 115.700 -0.318 0.000 2.549 334 S HA 0.789 5.276 4.470 0.029 0.000 0.280 334 S C 0.532 175.103 174.600 -0.049 0.000 1.109 334 S CA -0.023 58.096 58.200 -0.135 0.000 0.905 334 S CB 1.886 65.070 63.200 -0.026 0.000 1.081 334 S HN 1.790 nan 8.310 nan 0.000 0.477 335 G N 1.728 110.522 108.800 -0.010 0.000 2.256 335 G HA2 -0.167 3.810 3.960 0.029 0.000 0.272 335 G HA3 -0.167 3.810 3.960 0.029 0.000 0.272 335 G C 0.009 174.897 174.900 -0.020 0.000 1.076 335 G CA 0.408 45.511 45.100 0.005 0.000 0.882 335 G HN 1.174 nan 8.290 nan 0.000 0.497 336 T N -3.762 110.767 114.554 -0.041 0.000 2.865 336 T HA 0.743 5.111 4.350 0.029 0.000 0.294 336 T C 0.686 175.376 174.700 -0.016 0.000 1.119 336 T CA -0.907 61.173 62.100 -0.033 0.000 1.007 336 T CB 1.721 70.555 68.868 -0.057 0.000 1.225 336 T HN 0.020 nan 8.240 nan 0.000 0.515 337 R N 0.819 121.333 120.500 0.023 0.000 2.480 337 R HA 0.245 4.603 4.340 0.029 0.000 0.277 337 R C 0.663 176.995 176.300 0.053 0.000 1.008 337 R CA -0.443 55.675 56.100 0.030 0.000 1.090 337 R CB -1.096 29.230 30.300 0.043 0.000 1.234 337 R HN 0.790 nan 8.270 nan 0.000 0.549 338 M N 1.565 121.190 119.600 0.040 0.000 2.338 338 M HA -0.073 4.425 4.480 0.029 0.000 0.360 338 M C 1.003 177.273 176.300 -0.051 0.000 1.547 338 M CA 0.575 55.903 55.300 0.047 0.000 1.001 338 M CB 0.761 33.299 32.600 -0.104 0.000 2.008 338 M HN 0.020 nan 8.290 nan 0.000 0.464 339 V N 1.612 121.533 119.914 0.013 0.000 3.621 339 V HA 0.324 4.462 4.120 0.029 0.000 0.285 339 V C 0.007 176.060 176.094 -0.067 0.000 1.346 339 V CA 0.433 62.717 62.300 -0.027 0.000 1.104 339 V CB -0.889 30.951 31.823 0.028 0.000 0.913 339 V HN 1.012 nan 8.190 nan 0.000 0.432 340 H N -0.411 118.380 119.070 -0.466 0.000 3.003 340 H HA 0.739 5.311 4.556 0.027 0.000 0.327 340 H C -1.425 173.290 175.328 -1.022 0.000 1.353 340 H CA -0.610 55.087 56.048 -0.585 0.000 1.142 340 H CB 1.936 31.500 29.762 -0.331 0.000 1.864 340 H HN 0.199 nan 8.280 nan 0.000 0.529 341 M N 2.965 121.751 119.600 -1.358 0.000 2.322 341 M HA 0.450 4.948 4.480 0.029 0.000 0.286 341 M C -2.024 173.782 176.300 -0.823 0.000 1.111 341 M CA -0.391 54.292 55.300 -1.027 0.000 0.941 341 M CB 1.485 33.492 32.600 -0.988 0.000 1.671 341 M HN 0.499 nan 8.290 nan 0.000 0.470 342 L N 2.580 123.670 121.223 -0.222 0.000 2.421 342 L HA 0.567 4.924 4.340 0.029 0.000 0.263 342 L C 0.019 177.103 176.870 0.356 0.000 1.122 342 L CA -0.840 54.045 54.840 0.076 0.000 0.804 342 L CB 1.389 43.565 42.059 0.195 0.000 1.150 342 L HN 0.844 nan 8.230 nan 0.000 0.457 343 c N 2.523 121.317 118.600 0.323 0.000 2.601 343 c HA 0.367 4.954 4.570 0.029 0.000 0.409 343 c C -1.938 172.284 174.090 0.221 0.000 1.293 343 c CA -1.334 55.161 56.329 0.277 0.000 2.101 343 c CB 0.177 42.769 42.510 0.137 0.000 2.639 343 c HN 0.485 nan 8.230 nan 0.000 0.592 344 P HA 0.121 nan 4.420 nan 0.000 0.269 344 P C 0.296 177.736 177.300 0.234 0.000 1.209 344 P CA 0.348 63.539 63.100 0.152 0.000 0.776 344 P CB 0.587 32.317 31.700 0.049 0.000 0.876 345 S N 0.555 116.329 115.700 0.125 0.000 2.515 345 S HA -0.065 4.422 4.470 0.029 0.000 0.231 345 S C 0.709 175.377 174.600 0.113 0.000 0.987 345 S CA 0.890 59.178 58.200 0.146 0.000 0.936 345 S CB -0.546 62.684 63.200 0.050 0.000 0.766 345 S HN 0.560 nan 8.310 nan 0.000 0.528 346 K N -0.263 120.056 120.400 -0.135 0.000 2.522 346 K HA 0.487 4.824 4.320 0.029 0.000 0.275 346 K C -1.113 175.029 176.600 -0.764 0.000 1.006 346 K CA -0.975 54.955 56.287 -0.594 0.000 0.890 346 K CB 0.620 32.938 32.500 -0.303 0.000 1.475 346 K HN -0.105 nan 8.250 nan 0.000 0.441 347 I N 2.300 122.399 120.570 -0.785 0.000 2.919 347 I HA -0.118 4.069 4.170 0.029 0.000 0.299 347 I C 0.324 176.283 176.117 -0.264 0.000 1.221 347 I CA 0.590 61.654 61.300 -0.392 0.000 1.424 347 I CB 0.500 38.360 38.000 -0.233 0.000 1.358 347 I HN 0.603 nan 8.210 nan 0.000 0.551 348 S N 8.587 124.172 115.700 -0.192 0.000 2.578 348 S HA 0.473 4.960 4.470 0.029 0.000 0.283 348 S C -1.363 173.113 174.600 -0.208 0.000 1.195 348 S CA -1.425 56.618 58.200 -0.261 0.000 1.050 348 S CB 1.372 64.390 63.200 -0.304 0.000 1.012 348 S HN 0.514 nan 8.310 nan 0.000 0.511 349 P HA 0.167 nan 4.420 nan 0.000 0.261 349 P C -0.066 177.204 177.300 -0.050 0.000 1.268 349 P CA -0.214 62.798 63.100 -0.146 0.000 0.833 349 P CB -0.186 31.425 31.700 -0.148 0.000 1.231 350 F N 0.468 120.389 119.950 -0.049 0.000 2.612 350 F HA -0.107 4.437 4.527 0.027 0.000 0.389 350 F C 1.756 177.491 175.800 -0.108 0.000 1.055 350 F CA -0.588 57.391 58.000 -0.035 0.000 1.232 350 F CB 0.626 39.621 39.000 -0.009 0.000 1.044 350 F HN -0.125 nan 8.300 nan 0.000 0.560 351 L N 3.160 124.409 121.223 0.043 0.000 2.526 351 L HA 0.152 4.509 4.340 0.029 0.000 0.210 351 L C 0.011 176.543 176.870 -0.564 0.000 1.048 351 L CA 0.784 55.446 54.840 -0.298 0.000 0.852 351 L CB 0.044 41.859 42.059 -0.408 0.000 1.128 351 L HN 0.439 nan 8.230 nan 0.000 0.482 352 H N 0.212 119.307 119.070 0.041 0.000 2.823 352 H HA 0.545 5.118 4.556 0.029 0.000 0.332 352 H C -1.103 174.155 175.328 -0.116 0.000 0.980 352 H CA -0.509 55.520 56.048 -0.031 0.000 1.286 352 H CB 1.388 31.147 29.762 -0.005 0.000 1.541 352 H HN -0.055 nan 8.280 nan 0.000 0.521 353 L N 2.830 123.959 121.223 -0.158 0.000 2.333 353 L HA 0.268 4.626 4.340 0.029 0.000 0.280 353 L C -0.159 176.400 176.870 -0.519 0.000 1.004 353 L CA -0.649 53.892 54.840 -0.498 0.000 0.820 353 L CB 1.989 43.586 42.059 -0.769 0.000 1.247 353 L HN 0.467 nan 8.230 nan 0.000 0.416 354 D N 3.226 123.298 120.400 -0.547 0.000 2.462 354 D HA 0.291 4.948 4.640 0.029 0.000 0.245 354 D C -0.568 175.563 176.300 -0.282 0.000 1.122 354 D CA -0.146 53.657 54.000 -0.328 0.000 0.864 354 D CB 0.742 41.452 40.800 -0.150 0.000 1.098 354 D HN 0.320 nan 8.370 nan 0.000 0.541 355 F N 1.745 121.590 119.950 -0.176 0.000 2.908 355 F HA 0.102 4.648 4.527 0.031 0.000 0.328 355 F C 1.172 176.878 175.800 -0.156 0.000 1.211 355 F CA -0.878 56.991 58.000 -0.219 0.000 1.291 355 F CB 0.594 39.454 39.000 -0.232 0.000 0.962 355 F HN 0.180 nan 8.300 nan 0.000 0.505 356 S N -0.359 115.365 115.700 0.039 0.000 2.576 356 S HA 0.113 4.600 4.470 0.029 0.000 0.276 356 S C 0.532 175.133 174.600 0.003 0.000 1.339 356 S CA -0.502 57.706 58.200 0.014 0.000 1.039 356 S CB 1.000 64.204 63.200 0.005 0.000 0.902 356 S HN 0.525 nan 8.310 nan 0.000 0.516 357 N N 1.044 119.742 118.700 -0.004 0.000 2.746 357 N HA -0.182 4.575 4.740 0.029 0.000 0.250 357 N C -0.971 174.522 175.510 -0.027 0.000 1.055 357 N CA 1.108 54.153 53.050 -0.009 0.000 0.699 357 N CB -1.885 36.607 38.487 0.008 0.000 0.919 357 N HN 0.884 nan 8.380 nan 0.000 0.548 358 N N -0.600 118.074 118.700 -0.043 0.000 3.512 358 N HA 0.616 5.373 4.740 0.029 0.000 0.360 358 N C -0.122 175.353 175.510 -0.058 0.000 1.593 358 N CA -0.782 52.228 53.050 -0.067 0.000 0.672 358 N CB 0.441 38.853 38.487 -0.125 0.000 2.105 358 N HN 0.033 nan 8.380 nan 0.000 0.645 359 L N 0.989 122.169 121.223 -0.071 0.000 3.218 359 L HA 0.427 4.784 4.340 0.029 0.000 0.279 359 L C -0.891 175.936 176.870 -0.072 0.000 1.287 359 L CA -0.143 54.663 54.840 -0.056 0.000 1.024 359 L CB -0.095 41.942 42.059 -0.036 0.000 1.409 359 L HN 0.241 nan 8.230 nan 0.000 0.580 360 L N 0.546 121.709 121.223 -0.100 0.000 2.456 360 L HA 0.177 4.534 4.340 0.029 0.000 0.272 360 L C 1.037 177.869 176.870 -0.062 0.000 1.189 360 L CA 0.336 55.108 54.840 -0.113 0.000 0.846 360 L CB 0.628 42.590 42.059 -0.162 0.000 1.111 360 L HN 0.268 nan 8.230 nan 0.000 0.475 361 T N -3.040 111.489 114.554 -0.042 0.000 2.919 361 T HA 0.237 4.604 4.350 0.029 0.000 0.282 361 T C 0.635 175.329 174.700 -0.010 0.000 1.020 361 T CA -0.796 61.289 62.100 -0.025 0.000 0.994 361 T CB 1.320 70.170 68.868 -0.031 0.000 1.180 361 T HN 0.501 nan 8.240 nan 0.000 0.566 362 D N 1.066 121.461 120.400 -0.008 0.000 2.228 362 D HA -0.068 4.590 4.640 0.029 0.000 0.203 362 D C 1.961 178.272 176.300 0.018 0.000 0.988 362 D CA 1.962 55.962 54.000 0.001 0.000 0.864 362 D CB -0.580 40.215 40.800 -0.008 0.000 0.928 362 D HN 0.841 nan 8.370 nan 0.000 0.469 363 T N -1.893 112.680 114.554 0.030 0.000 3.219 363 T HA 0.128 4.495 4.350 0.029 0.000 0.249 363 T C 0.810 175.618 174.700 0.180 0.000 1.099 363 T CA -0.436 61.710 62.100 0.076 0.000 0.988 363 T CB -0.138 68.746 68.868 0.027 0.000 0.999 363 T HN -0.076 nan 8.240 nan 0.000 0.550 364 V N 2.318 122.276 119.914 0.074 0.000 2.585 364 V HA 0.253 4.390 4.120 0.029 0.000 0.296 364 V C 0.512 176.575 176.094 -0.051 0.000 1.035 364 V CA 0.021 62.230 62.300 -0.152 0.000 1.084 364 V CB -1.200 30.427 31.823 -0.327 0.000 0.953 364 V HN 0.792 nan 8.190 nan 0.000 0.483 365 F N 2.457 122.379 119.950 -0.047 0.000 3.084 365 F HA -0.207 4.337 4.527 0.028 0.000 0.286 365 F C 1.184 177.007 175.800 0.038 0.000 0.855 365 F CA 0.877 58.885 58.000 0.014 0.000 1.091 365 F CB -1.073 37.957 39.000 0.050 0.000 1.177 365 F HN 0.848 nan 8.300 nan 0.000 0.542 366 E N 1.155 121.485 120.200 0.216 0.000 2.408 366 E HA 0.120 4.487 4.350 0.029 0.000 0.259 366 E C 0.626 177.290 176.600 0.106 0.000 1.110 366 E CA -0.116 56.367 56.400 0.139 0.000 0.929 366 E CB 0.291 30.057 29.700 0.110 0.000 0.971 366 E HN 0.292 nan 8.360 nan 0.000 0.438 367 N N -0.313 118.422 118.700 0.058 0.000 2.714 367 N HA -0.189 4.568 4.740 0.029 0.000 0.253 367 N C -1.229 174.280 175.510 -0.001 0.000 1.024 367 N CA 0.948 54.013 53.050 0.024 0.000 0.726 367 N CB -1.905 36.598 38.487 0.026 0.000 0.908 367 N HN 0.521 nan 8.380 nan 0.000 0.542 368 c N -1.097 117.502 118.600 -0.002 0.000 2.456 368 c HA 0.781 5.369 4.570 0.029 0.000 0.325 368 c C 1.391 175.432 174.090 -0.081 0.000 1.217 368 c CA 0.299 56.595 56.329 -0.054 0.000 1.687 368 c CB 1.306 43.814 42.510 -0.004 0.000 2.270 368 c HN 0.578 nan 8.230 nan 0.000 0.499 369 G N 1.404 110.105 108.800 -0.164 0.000 4.165 369 G HA2 0.214 4.191 3.960 0.029 0.000 0.287 369 G HA3 0.214 4.191 3.960 0.029 0.000 0.287 369 G C 0.406 175.340 174.900 0.056 0.000 1.019 369 G CA -0.019 45.039 45.100 -0.071 0.000 0.806 369 G HN 0.913 nan 8.290 nan 0.000 0.447 370 H N -0.272 118.775 119.070 -0.038 0.000 2.652 370 H HA 0.314 4.887 4.556 0.028 0.000 0.274 370 H C 0.842 176.124 175.328 -0.076 0.000 1.021 370 H CA -0.202 55.814 56.048 -0.054 0.000 1.187 370 H CB 0.941 30.672 29.762 -0.051 0.000 1.505 370 H HN 0.145 nan 8.280 nan 0.000 0.530 371 L N 2.084 123.317 121.223 0.016 0.000 3.064 371 L HA 0.096 4.453 4.340 0.029 0.000 0.233 371 L C 1.457 178.314 176.870 -0.022 0.000 1.333 371 L CA -0.139 54.675 54.840 -0.043 0.000 1.140 371 L CB 0.120 42.074 42.059 -0.175 0.000 1.519 371 L HN 0.276 nan 8.230 nan 0.000 0.493 372 T N -4.656 109.898 114.554 -0.001 0.000 3.085 372 T HA -0.012 4.355 4.350 0.029 0.000 0.263 372 T C 1.245 175.937 174.700 -0.013 0.000 1.127 372 T CA 0.565 62.665 62.100 -0.001 0.000 1.103 372 T CB 0.089 68.962 68.868 0.009 0.000 0.921 372 T HN 0.246 nan 8.240 nan 0.000 0.510 373 E N 0.327 120.514 120.200 -0.022 0.000 2.489 373 E HA 0.286 4.653 4.350 0.029 0.000 0.204 373 E C 0.420 176.993 176.600 -0.045 0.000 1.006 373 E CA -0.339 56.041 56.400 -0.033 0.000 0.936 373 E CB -0.083 29.592 29.700 -0.042 0.000 1.002 373 E HN 0.389 nan 8.360 nan 0.000 0.488 374 L N 2.501 123.703 121.223 -0.035 0.000 2.559 374 L HA -0.064 4.294 4.340 0.029 0.000 0.274 374 L C 1.002 177.838 176.870 -0.056 0.000 1.205 374 L CA 0.853 55.662 54.840 -0.052 0.000 0.907 374 L CB 0.374 42.406 42.059 -0.045 0.000 1.153 374 L HN -0.031 nan 8.230 nan 0.000 0.490 375 E N 1.777 121.920 120.200 -0.094 0.000 2.330 375 E HA 0.143 4.511 4.350 0.029 0.000 0.200 375 E C -0.187 176.439 176.600 0.044 0.000 0.922 375 E CA 0.297 56.682 56.400 -0.026 0.000 0.935 375 E CB 0.509 30.198 29.700 -0.018 0.000 0.917 375 E HN 0.641 nan 8.360 nan 0.000 0.491 376 T N 1.354 115.954 114.554 0.078 0.000 2.886 376 T HA 0.515 4.882 4.350 0.029 0.000 0.292 376 T C -1.564 173.152 174.700 0.027 0.000 1.012 376 T CA -0.557 61.612 62.100 0.115 0.000 0.982 376 T CB 1.927 70.962 68.868 0.277 0.000 1.018 376 T HN -0.079 nan 8.240 nan 0.000 0.451 377 L N 4.284 125.504 121.223 -0.006 0.000 2.482 377 L HA 0.666 5.023 4.340 0.029 0.000 0.269 377 L C -1.757 175.086 176.870 -0.045 0.000 0.967 377 L CA -0.462 54.347 54.840 -0.051 0.000 0.851 377 L CB 1.147 43.209 42.059 0.005 0.000 1.242 377 L HN 0.670 nan 8.230 nan 0.000 0.404 378 I N 6.406 126.919 120.570 -0.094 0.000 2.362 378 I HA 0.339 4.527 4.170 0.029 0.000 0.289 378 I C 0.054 176.150 176.117 -0.035 0.000 0.994 378 I CA -0.280 60.984 61.300 -0.059 0.000 1.158 378 I CB 1.563 39.524 38.000 -0.066 0.000 1.315 378 I HN 0.601 nan 8.210 nan 0.000 0.451 379 L N 6.121 127.344 121.223 0.001 0.000 3.289 379 L HA 0.262 4.619 4.340 0.029 0.000 0.291 379 L C 0.508 177.383 176.870 0.008 0.000 1.279 379 L CA -0.104 54.752 54.840 0.026 0.000 1.025 379 L CB 0.387 42.472 42.059 0.043 0.000 1.413 379 L HN 0.633 nan 8.230 nan 0.000 0.593 380 Q N 1.474 121.272 119.800 -0.004 0.000 2.361 380 Q HA 0.084 4.441 4.340 0.029 0.000 0.276 380 Q C 0.559 176.553 176.000 -0.009 0.000 1.022 380 Q CA -0.002 55.794 55.803 -0.012 0.000 0.898 380 Q CB 0.641 29.369 28.738 -0.017 0.000 1.246 380 Q HN 0.247 nan 8.270 nan 0.000 0.410 381 M N 3.012 122.603 119.600 -0.015 0.000 2.450 381 M HA -0.263 4.235 4.480 0.029 0.000 0.192 381 M C -2.022 174.267 176.300 -0.017 0.000 0.753 381 M CA 1.018 56.309 55.300 -0.014 0.000 0.532 381 M CB -1.446 31.148 32.600 -0.009 0.000 1.263 381 M HN 0.884 nan 8.290 nan 0.000 0.885 382 N N -0.695 117.993 118.700 -0.020 0.000 3.464 382 N HA 0.568 5.325 4.740 0.029 0.000 0.335 382 N C -0.586 174.908 175.510 -0.027 0.000 1.489 382 N CA -0.674 52.359 53.050 -0.028 0.000 0.652 382 N CB 0.519 38.987 38.487 -0.031 0.000 2.334 382 N HN 0.408 nan 8.380 nan 0.000 0.560 383 Q N 0.922 120.705 119.800 -0.029 0.000 2.333 383 Q HA 0.362 4.719 4.340 0.029 0.000 0.365 383 Q C -1.199 174.788 176.000 -0.021 0.000 0.882 383 Q CA -0.077 55.711 55.803 -0.026 0.000 1.124 383 Q CB 0.516 29.235 28.738 -0.030 0.000 1.345 383 Q HN 0.433 nan 8.270 nan 0.000 0.409 384 L N 0.200 121.414 121.223 -0.015 0.000 2.397 384 L HA 0.256 4.613 4.340 0.029 0.000 0.271 384 L C 1.200 178.067 176.870 -0.006 0.000 1.148 384 L CA 0.305 55.140 54.840 -0.007 0.000 0.825 384 L CB 0.665 42.727 42.059 0.004 0.000 1.117 384 L HN 0.104 nan 8.230 nan 0.000 0.456 385 K N 0.791 121.189 120.400 -0.004 0.000 2.585 385 K HA 0.183 4.520 4.320 0.029 0.000 0.198 385 K C -0.243 176.360 176.600 0.005 0.000 1.403 385 K CA -0.131 56.154 56.287 -0.003 0.000 1.021 385 K CB 0.680 33.172 32.500 -0.012 0.000 1.558 385 K HN 0.516 nan 8.250 nan 0.000 0.524 386 E N 2.127 122.328 120.200 0.002 0.000 2.081 386 E HA 0.078 4.446 4.350 0.029 0.000 0.276 386 E C 0.145 176.753 176.600 0.014 0.000 0.950 386 E CA -0.218 56.187 56.400 0.008 0.000 0.776 386 E CB 1.509 31.203 29.700 -0.010 0.000 1.094 386 E HN 0.029 nan 8.360 nan 0.000 0.402 387 L N 3.001 124.258 121.223 0.056 0.000 2.042 387 L HA -0.214 4.143 4.340 0.029 0.000 0.210 387 L C 1.939 178.752 176.870 -0.095 0.000 1.076 387 L CA 1.925 56.782 54.840 0.029 0.000 0.749 387 L CB -0.258 41.866 42.059 0.109 0.000 0.893 387 L HN 0.432 nan 8.230 nan 0.000 0.432 388 S N -0.528 115.173 115.700 0.002 0.000 2.365 388 S HA -0.274 4.213 4.470 0.029 0.000 0.225 388 S C 1.994 176.499 174.600 -0.159 0.000 1.039 388 S CA 1.773 59.926 58.200 -0.078 0.000 1.033 388 S CB -0.345 62.867 63.200 0.021 0.000 0.887 388 S HN 0.367 nan 8.310 nan 0.000 0.447 389 K N 1.426 121.770 120.400 -0.094 0.000 2.097 389 K HA 0.108 4.445 4.320 0.029 0.000 0.205 389 K C 1.720 178.260 176.600 -0.101 0.000 1.050 389 K CA 1.138 57.378 56.287 -0.079 0.000 0.938 389 K CB -0.475 32.001 32.500 -0.039 0.000 0.718 389 K HN 0.374 nan 8.250 nan 0.000 0.442 390 I N 0.267 120.766 120.570 -0.118 0.000 2.315 390 I HA -0.223 3.964 4.170 0.029 0.000 0.248 390 I C 2.194 178.162 176.117 -0.249 0.000 1.117 390 I CA 1.112 62.354 61.300 -0.096 0.000 1.404 390 I CB -0.351 37.639 38.000 -0.016 0.000 1.071 390 I HN 0.218 nan 8.210 nan 0.000 0.419 391 A N 0.461 122.902 122.820 -0.631 0.000 1.930 391 A HA -0.205 4.133 4.320 0.029 0.000 0.217 391 A C 2.179 179.511 177.584 -0.420 0.000 1.175 391 A CA 1.531 52.922 52.037 -1.076 0.000 0.627 391 A CB -0.498 17.499 19.000 -1.671 0.000 0.815 391 A HN 0.431 nan 8.150 nan 0.000 0.443 392 E N -0.837 119.203 120.200 -0.267 0.000 2.150 392 E HA -0.157 4.210 4.350 0.029 0.000 0.193 392 E C 1.970 178.544 176.600 -0.044 0.000 0.985 392 E CA 1.088 57.414 56.400 -0.124 0.000 0.814 392 E CB -0.249 29.397 29.700 -0.090 0.000 0.752 392 E HN 0.736 nan 8.360 nan 0.000 0.466 393 M N 0.451 120.039 119.600 -0.019 0.000 2.279 393 M HA -0.148 4.349 4.480 0.029 0.000 0.264 393 M C 1.677 178.023 176.300 0.078 0.000 1.062 393 M CA 1.315 56.651 55.300 0.061 0.000 1.099 393 M CB 0.048 32.711 32.600 0.106 0.000 1.394 393 M HN -0.036 nan 8.290 nan 0.000 0.426 394 T N 0.496 115.094 114.554 0.072 0.000 3.043 394 T HA -0.033 4.334 4.350 0.029 0.000 0.263 394 T C 1.427 176.187 174.700 0.101 0.000 1.094 394 T CA 1.527 63.706 62.100 0.132 0.000 1.127 394 T CB -0.173 68.867 68.868 0.287 0.000 0.905 394 T HN 0.521 nan 8.240 nan 0.000 0.490 395 T N 2.239 116.825 114.554 0.055 0.000 2.653 395 T HA -0.153 4.214 4.350 0.029 0.000 0.268 395 T C 1.687 176.412 174.700 0.042 0.000 1.035 395 T CA 1.146 63.273 62.100 0.045 0.000 1.154 395 T CB -0.175 68.700 68.868 0.011 0.000 0.862 395 T HN 0.266 nan 8.240 nan 0.000 0.441 396 Q N -0.025 119.794 119.800 0.030 0.000 2.320 396 Q HA 0.308 4.665 4.340 0.029 0.000 0.201 396 Q C 0.443 176.457 176.000 0.022 0.000 0.910 396 Q CA 0.101 55.918 55.803 0.022 0.000 0.946 396 Q CB -0.213 28.531 28.738 0.009 0.000 1.062 396 Q HN 0.589 nan 8.270 nan 0.000 0.503 397 M N 0.851 120.470 119.600 0.032 0.000 3.422 397 M HA 0.108 4.606 4.480 0.029 0.000 0.248 397 M C 0.900 177.218 176.300 0.030 0.000 1.433 397 M CA 0.086 55.400 55.300 0.023 0.000 1.592 397 M CB 0.189 32.809 32.600 0.033 0.000 1.078 397 M HN -0.133 nan 8.290 nan 0.000 0.578 398 K N -0.277 120.137 120.400 0.023 0.000 2.360 398 K HA -0.075 4.262 4.320 0.029 0.000 0.201 398 K C 1.161 177.771 176.600 0.016 0.000 1.046 398 K CA 0.950 57.250 56.287 0.022 0.000 0.940 398 K CB 0.110 32.620 32.500 0.018 0.000 0.748 398 K HN 0.427 nan 8.250 nan 0.000 0.465 399 S N 0.411 116.116 115.700 0.009 0.000 2.539 399 S HA 0.088 4.575 4.470 0.029 0.000 0.221 399 S C 0.033 174.637 174.600 0.005 0.000 0.987 399 S CA -0.524 57.678 58.200 0.003 0.000 0.929 399 S CB 0.210 63.404 63.200 -0.010 0.000 0.832 399 S HN 0.117 nan 8.310 nan 0.000 0.492 400 L N 2.989 124.219 121.223 0.013 0.000 2.584 400 L HA 0.069 4.427 4.340 0.029 0.000 0.272 400 L C 0.910 177.787 176.870 0.011 0.000 1.195 400 L CA 1.096 55.946 54.840 0.016 0.000 0.920 400 L CB 0.328 42.409 42.059 0.036 0.000 1.173 400 L HN 0.153 nan 8.230 nan 0.000 0.489 401 Q N 3.064 122.870 119.800 0.009 0.000 2.422 401 Q HA 0.209 4.566 4.340 0.029 0.000 0.255 401 Q C -0.418 175.572 176.000 -0.017 0.000 0.864 401 Q CA 0.191 55.993 55.803 -0.001 0.000 0.968 401 Q CB 0.830 29.576 28.738 0.014 0.000 1.130 401 Q HN 0.690 nan 8.270 nan 0.000 0.556 402 Q N 0.819 120.616 119.800 -0.006 0.000 2.323 402 Q HA 0.574 4.932 4.340 0.029 0.000 0.271 402 Q C -1.508 174.479 176.000 -0.021 0.000 1.048 402 Q CA -0.319 55.471 55.803 -0.022 0.000 0.792 402 Q CB 2.916 31.650 28.738 -0.007 0.000 1.280 402 Q HN 0.047 nan 8.270 nan 0.000 0.441 403 L N 2.456 123.651 121.223 -0.047 0.000 2.438 403 L HA 0.491 4.849 4.340 0.029 0.000 0.270 403 L C -1.784 175.062 176.870 -0.041 0.000 0.972 403 L CA -0.547 54.277 54.840 -0.026 0.000 0.831 403 L CB 1.997 44.046 42.059 -0.017 0.000 1.273 403 L HN 0.678 nan 8.230 nan 0.000 0.405 404 D N 5.476 125.863 120.400 -0.023 0.000 2.425 404 D HA 0.368 5.026 4.640 0.029 0.000 0.240 404 D C 0.176 176.468 176.300 -0.012 0.000 1.080 404 D CA -0.321 53.660 54.000 -0.032 0.000 0.836 404 D CB 1.088 41.867 40.800 -0.036 0.000 1.125 404 D HN 0.528 nan 8.370 nan 0.000 0.525 405 I N 1.140 121.701 120.570 -0.014 0.000 3.491 405 I HA 0.308 4.495 4.170 0.029 0.000 0.332 405 I C 0.118 176.219 176.117 -0.026 0.000 1.565 405 I CA -0.709 60.592 61.300 0.001 0.000 1.050 405 I CB 0.256 38.281 38.000 0.042 0.000 1.348 405 I HN 0.147 nan 8.210 nan 0.000 0.506 406 S N 0.499 116.169 115.700 -0.051 0.000 2.600 406 S HA 0.263 4.750 4.470 0.029 0.000 0.265 406 S C 0.495 175.060 174.600 -0.058 0.000 1.325 406 S CA -0.136 58.017 58.200 -0.080 0.000 1.002 406 S CB 0.777 63.913 63.200 -0.107 0.000 0.921 406 S HN 0.599 nan 8.310 nan 0.000 0.554 407 Q N 0.145 119.904 119.800 -0.068 0.000 2.460 407 Q HA -0.223 4.135 4.340 0.029 0.000 0.311 407 Q C -0.619 175.362 176.000 -0.033 0.000 1.396 407 Q CA 0.767 56.543 55.803 -0.046 0.000 0.838 407 Q CB -2.176 26.542 28.738 -0.033 0.000 1.140 407 Q HN 0.829 nan 8.270 nan 0.000 0.415 408 N N -1.051 117.629 118.700 -0.033 0.000 3.512 408 N HA 0.492 5.250 4.740 0.029 0.000 0.360 408 N C -0.581 174.916 175.510 -0.023 0.000 1.593 408 N CA -0.480 52.556 53.050 -0.023 0.000 0.672 408 N CB 1.222 39.700 38.487 -0.016 0.000 2.105 408 N HN 0.022 nan 8.380 nan 0.000 0.645 409 S N 0.485 116.175 115.700 -0.017 0.000 2.617 409 S HA 0.331 4.818 4.470 0.029 0.000 0.237 409 S C -1.291 173.304 174.600 -0.008 0.000 1.142 409 S CA -0.402 57.789 58.200 -0.015 0.000 1.167 409 S CB -0.363 62.828 63.200 -0.016 0.000 1.068 409 S HN 0.249 nan 8.310 nan 0.000 0.470 410 V N 3.553 123.465 119.914 -0.004 0.000 2.555 410 V HA 0.511 4.649 4.120 0.029 0.000 0.286 410 V C 0.447 176.554 176.094 0.022 0.000 1.044 410 V CA -0.064 62.244 62.300 0.013 0.000 1.026 410 V CB 0.989 32.825 31.823 0.022 0.000 0.981 410 V HN 0.740 nan 8.190 nan 0.000 0.480 411 S N 4.432 120.154 115.700 0.037 0.000 2.599 411 S HA 0.744 5.231 4.470 0.029 0.000 0.287 411 S C -1.256 173.411 174.600 0.111 0.000 1.105 411 S CA -0.807 57.424 58.200 0.052 0.000 0.899 411 S CB 1.965 65.174 63.200 0.014 0.000 1.100 411 S HN 0.632 nan 8.310 nan 0.000 0.482 412 Y N 1.314 121.603 120.300 -0.019 0.000 2.350 412 Y HA 0.577 5.144 4.550 0.029 0.000 0.338 412 Y C -1.234 174.655 175.900 -0.017 0.000 0.961 412 Y CA -1.135 56.954 58.100 -0.019 0.000 1.100 412 Y CB 1.576 40.031 38.460 -0.010 0.000 1.179 412 Y HN 0.850 nan 8.280 nan 0.000 0.454 413 D N 4.834 124.815 120.400 -0.698 0.000 2.428 413 D HA 0.107 4.765 4.640 0.029 0.000 0.221 413 D C 0.830 176.508 176.300 -1.038 0.000 1.123 413 D CA -0.214 53.398 54.000 -0.647 0.000 0.869 413 D CB 0.798 41.415 40.800 -0.305 0.000 1.032 413 D HN 0.808 nan 8.370 nan 0.000 0.506 414 E N 2.937 122.580 120.200 -0.929 0.000 2.267 414 E HA -0.224 4.144 4.350 0.029 0.000 0.197 414 E C 0.874 177.342 176.600 -0.220 0.000 0.998 414 E CA 0.706 56.790 56.400 -0.526 0.000 0.830 414 E CB 0.030 29.643 29.700 -0.145 0.000 0.751 414 E HN 0.205 nan 8.360 nan 0.000 0.491 415 K N 0.858 121.130 120.400 -0.212 0.000 2.442 415 K HA -0.010 4.328 4.320 0.029 0.000 0.198 415 K C 1.477 178.027 176.600 -0.083 0.000 1.042 415 K CA 0.581 56.802 56.287 -0.110 0.000 0.958 415 K CB 0.056 32.497 32.500 -0.098 0.000 0.766 415 K HN 0.148 nan 8.250 nan 0.000 0.474 416 K N 0.461 120.794 120.400 -0.111 0.000 2.418 416 K HA 0.038 4.375 4.320 0.029 0.000 0.195 416 K C 1.040 177.654 176.600 0.023 0.000 1.035 416 K CA 0.673 56.935 56.287 -0.041 0.000 1.003 416 K CB -0.046 32.434 32.500 -0.033 0.000 0.793 416 K HN 0.314 nan 8.250 nan 0.000 0.494 417 G N 1.996 110.829 108.800 0.054 0.000 2.632 417 G HA2 -0.214 3.763 3.960 0.029 0.000 0.224 417 G HA3 -0.214 3.763 3.960 0.029 0.000 0.224 417 G C -1.000 173.985 174.900 0.141 0.000 1.341 417 G CA -0.491 44.661 45.100 0.087 0.000 0.880 417 G HN 0.210 nan 8.290 nan 0.000 0.566 418 D N -0.159 120.293 120.400 0.086 0.000 2.472 418 D HA 0.304 4.961 4.640 0.029 0.000 0.237 418 D C 0.918 177.226 176.300 0.013 0.000 1.141 418 D CA 0.559 54.596 54.000 0.062 0.000 0.875 418 D CB 0.599 41.427 40.800 0.046 0.000 1.192 418 D HN 0.619 nan 8.370 nan 0.000 0.450 419 c N 1.021 119.593 118.600 -0.047 0.000 2.443 419 c HA 0.200 4.787 4.570 0.029 0.000 0.369 419 c C 1.304 175.290 174.090 -0.173 0.000 1.241 419 c CA -0.447 55.757 56.329 -0.209 0.000 2.413 419 c CB 0.711 42.942 42.510 -0.465 0.000 2.451 419 c HN 0.498 nan 8.230 nan 0.000 0.595 420 S N 0.518 116.066 115.700 -0.254 0.000 2.519 420 S HA 0.115 4.602 4.470 0.029 0.000 0.245 420 S C -0.411 174.158 174.600 -0.052 0.000 1.152 420 S CA -0.389 57.742 58.200 -0.114 0.000 1.175 420 S CB -0.261 62.884 63.200 -0.092 0.000 0.829 420 S HN 0.718 nan 8.310 nan 0.000 0.472 421 W N 2.847 124.139 121.300 -0.013 0.000 2.170 421 W HA 0.147 4.824 4.660 0.029 0.000 0.342 421 W C 1.030 177.546 176.519 -0.006 0.000 1.294 421 W CA -0.601 56.735 57.345 -0.014 0.000 1.246 421 W CB 0.116 29.560 29.460 -0.027 0.000 1.156 421 W HN 0.107 nan 8.180 nan 0.000 0.572 422 T N 1.078 115.797 114.554 0.276 0.000 2.900 422 T HA 0.059 4.426 4.350 0.029 0.000 0.307 422 T C 0.934 175.707 174.700 0.121 0.000 1.065 422 T CA -0.758 61.431 62.100 0.147 0.000 1.105 422 T CB 0.998 69.930 68.868 0.108 0.000 0.979 422 T HN 0.315 nan 8.240 nan 0.000 0.544 423 K N 1.172 121.618 120.400 0.078 0.000 2.486 423 K HA -0.003 4.335 4.320 0.029 0.000 0.194 423 K C 2.337 178.953 176.600 0.025 0.000 1.033 423 K CA 0.683 57.000 56.287 0.051 0.000 1.004 423 K CB -0.275 32.252 32.500 0.043 0.000 0.798 423 K HN 0.805 nan 8.250 nan 0.000 0.495 424 S N 0.280 115.996 115.700 0.027 0.000 2.489 424 S HA -0.001 4.487 4.470 0.029 0.000 0.228 424 S C 0.915 175.510 174.600 -0.007 0.000 0.995 424 S CA -0.263 57.944 58.200 0.012 0.000 0.934 424 S CB -0.227 62.983 63.200 0.017 0.000 0.771 424 S HN 0.058 nan 8.310 nan 0.000 0.522 425 L N 2.435 123.645 121.223 -0.023 0.000 2.534 425 L HA 0.278 4.635 4.340 0.029 0.000 0.271 425 L C 0.667 177.484 176.870 -0.089 0.000 1.178 425 L CA 0.117 54.913 54.840 -0.073 0.000 0.907 425 L CB 0.005 41.975 42.059 -0.149 0.000 1.164 425 L HN 0.334 nan 8.230 nan 0.000 0.482 426 L N 1.993 123.173 121.223 -0.072 0.000 2.577 426 L HA 0.240 4.598 4.340 0.029 0.000 0.225 426 L C 0.613 177.442 176.870 -0.069 0.000 1.053 426 L CA 0.159 54.964 54.840 -0.057 0.000 0.866 426 L CB 0.294 42.338 42.059 -0.026 0.000 1.132 426 L HN 0.636 nan 8.230 nan 0.000 0.486 427 S N 0.620 116.272 115.700 -0.080 0.000 2.605 427 S HA 0.616 5.104 4.470 0.029 0.000 0.308 427 S C -1.362 173.162 174.600 -0.126 0.000 1.113 427 S CA -0.412 57.739 58.200 -0.082 0.000 1.049 427 S CB 1.417 64.587 63.200 -0.049 0.000 1.001 427 S HN 0.041 nan 8.310 nan 0.000 0.480 428 L N 5.434 126.563 121.223 -0.156 0.000 2.404 428 L HA 0.636 4.993 4.340 0.029 0.000 0.272 428 L C -1.026 175.750 176.870 -0.157 0.000 0.980 428 L CA -0.286 54.432 54.840 -0.204 0.000 0.836 428 L CB 1.719 43.571 42.059 -0.345 0.000 1.238 428 L HN 0.688 nan 8.230 nan 0.000 0.408 429 N N 5.776 124.399 118.700 -0.128 0.000 2.469 429 N HA 0.431 5.189 4.740 0.029 0.000 0.253 429 N C -0.523 174.917 175.510 -0.116 0.000 0.970 429 N CA -0.185 52.794 53.050 -0.118 0.000 0.940 429 N CB 1.022 39.452 38.487 -0.095 0.000 1.128 429 N HN 0.721 nan 8.380 nan 0.000 0.503 430 M N 1.001 120.518 119.600 -0.138 0.000 2.603 430 M HA 0.104 4.602 4.480 0.029 0.000 0.380 430 M C 0.406 176.604 176.300 -0.169 0.000 1.158 430 M CA -0.437 54.791 55.300 -0.120 0.000 0.921 430 M CB 0.287 32.828 32.600 -0.098 0.000 1.417 430 M HN 0.388 nan 8.290 nan 0.000 0.523 431 S N -0.006 115.539 115.700 -0.258 0.000 2.579 431 S HA 0.310 4.798 4.470 0.029 0.000 0.275 431 S C 0.705 175.109 174.600 -0.326 0.000 1.345 431 S CA -0.285 57.650 58.200 -0.443 0.000 1.031 431 S CB 0.892 63.514 63.200 -0.964 0.000 0.892 431 S HN 0.427 nan 8.310 nan 0.000 0.529 432 S N 1.398 116.915 115.700 -0.305 0.000 3.791 432 S HA -0.147 4.340 4.470 0.029 0.000 0.393 432 S C -0.275 174.265 174.600 -0.099 0.000 0.936 432 S CA 0.895 59.001 58.200 -0.157 0.000 1.234 432 S CB -2.182 60.943 63.200 -0.124 0.000 0.891 432 S HN 0.928 nan 8.310 nan 0.000 0.519 433 N N -0.010 118.640 118.700 -0.085 0.000 3.550 433 N HA 0.751 5.509 4.740 0.029 0.000 0.345 433 N C -0.129 175.359 175.510 -0.037 0.000 1.647 433 N CA -0.745 52.274 53.050 -0.052 0.000 0.737 433 N CB 0.750 39.209 38.487 -0.047 0.000 2.178 433 N HN 0.307 nan 8.380 nan 0.000 0.638 434 I N -0.402 120.155 120.570 -0.021 0.000 3.061 434 I HA 0.442 4.629 4.170 0.029 0.000 0.341 434 I C -1.334 174.783 176.117 -0.001 0.000 1.457 434 I CA -0.363 60.929 61.300 -0.012 0.000 0.921 434 I CB -0.094 37.901 38.000 -0.010 0.000 1.845 434 I HN 0.072 nan 8.210 nan 0.000 0.535 435 L N 2.167 123.387 121.223 -0.005 0.000 2.395 435 L HA 0.520 4.877 4.340 0.029 0.000 0.269 435 L C 1.043 177.924 176.870 0.017 0.000 1.133 435 L CA -0.113 54.733 54.840 0.011 0.000 0.812 435 L CB 1.548 43.596 42.059 -0.019 0.000 1.125 435 L HN 0.506 nan 8.230 nan 0.000 0.452 436 T N -3.298 111.283 114.554 0.045 0.000 2.870 436 T HA 0.222 4.589 4.350 0.029 0.000 0.277 436 T C 0.610 175.368 174.700 0.096 0.000 1.000 436 T CA -0.342 61.793 62.100 0.059 0.000 0.982 436 T CB 1.083 69.985 68.868 0.056 0.000 1.249 436 T HN 0.656 nan 8.240 nan 0.000 0.589 437 D N -0.085 120.400 120.400 0.142 0.000 2.309 437 D HA -0.130 4.527 4.640 0.029 0.000 0.212 437 D C 1.874 178.341 176.300 0.278 0.000 0.968 437 D CA 1.411 55.568 54.000 0.261 0.000 0.882 437 D CB -1.069 39.862 40.800 0.218 0.000 0.918 437 D HN 0.730 nan 8.370 nan 0.000 0.503 438 T N -1.600 113.073 114.554 0.200 0.000 2.977 438 T HA -0.168 4.199 4.350 0.029 0.000 0.271 438 T C 1.796 176.643 174.700 0.245 0.000 1.105 438 T CA 0.432 62.681 62.100 0.248 0.000 1.116 438 T CB -0.522 68.498 68.868 0.252 0.000 0.878 438 T HN 0.171 nan 8.240 nan 0.000 0.509 439 I N 1.056 121.675 120.570 0.081 0.000 2.335 439 I HA -0.036 4.151 4.170 0.029 0.000 0.251 439 I C 1.419 177.366 176.117 -0.283 0.000 1.129 439 I CA 0.481 61.675 61.300 -0.177 0.000 1.402 439 I CB -0.737 37.064 38.000 -0.330 0.000 1.069 439 I HN 0.258 nan 8.210 nan 0.000 0.424 440 F N 0.313 120.281 119.950 0.030 0.000 2.722 440 F HA 0.002 4.547 4.527 0.029 0.000 0.298 440 F C 2.140 177.953 175.800 0.021 0.000 1.175 440 F CA 0.571 58.583 58.000 0.020 0.000 1.462 440 F CB -0.405 38.612 39.000 0.029 0.000 1.111 440 F HN -0.021 nan 8.300 nan 0.000 0.592 441 R N -1.192 119.386 120.500 0.130 0.000 2.334 441 R HA 0.154 4.512 4.340 0.029 0.000 0.216 441 R C 0.012 176.316 176.300 0.007 0.000 0.905 441 R CA 0.174 56.341 56.100 0.111 0.000 1.064 441 R CB 0.321 30.732 30.300 0.185 0.000 1.046 441 R HN 0.208 nan 8.270 nan 0.000 0.508 442 c N 1.324 119.851 118.600 -0.120 0.000 3.495 442 c HA 0.511 5.098 4.570 0.029 0.000 0.201 442 c C -1.113 173.062 174.090 0.141 0.000 1.408 442 c CA -0.611 55.636 56.329 -0.137 0.000 1.367 442 c CB -1.019 41.049 42.510 -0.737 0.000 1.845 442 c HN 0.220 nan 8.230 nan 0.000 0.500 443 L N 4.312 125.614 121.223 0.131 0.000 2.422 443 L HA 0.629 4.986 4.340 0.029 0.000 0.264 443 L C -2.098 174.745 176.870 -0.045 0.000 0.984 443 L CA -1.687 53.137 54.840 -0.027 0.000 0.819 443 L CB 2.698 44.716 42.059 -0.069 0.000 1.330 443 L HN 0.280 nan 8.230 nan 0.000 0.410 444 P HA 0.124 nan 4.420 nan 0.000 0.268 444 P C -2.402 174.858 177.300 -0.066 0.000 1.204 444 P CA -1.076 61.926 63.100 -0.163 0.000 0.768 444 P CB 0.608 32.106 31.700 -0.336 0.000 0.842 445 P HA -0.120 nan 4.420 nan 0.000 0.213 445 P C 0.966 178.268 177.300 0.003 0.000 1.170 445 P CA 1.782 64.891 63.100 0.015 0.000 0.902 445 P CB -0.050 31.668 31.700 0.030 0.000 0.789 446 R N -1.070 119.425 120.500 -0.007 0.000 2.346 446 R HA 0.171 4.529 4.340 0.029 0.000 0.225 446 R C 0.464 176.752 176.300 -0.021 0.000 0.987 446 R CA -0.508 55.589 56.100 -0.006 0.000 1.106 446 R CB -0.949 29.350 30.300 -0.003 0.000 1.090 446 R HN 0.195 nan 8.270 nan 0.000 0.502 447 I N 1.840 122.384 120.570 -0.043 0.000 2.821 447 I HA -0.197 3.990 4.170 0.029 0.000 0.294 447 I C 0.804 176.909 176.117 -0.019 0.000 1.210 447 I CA 0.957 62.221 61.300 -0.061 0.000 1.430 447 I CB 0.554 38.498 38.000 -0.095 0.000 1.356 447 I HN 0.095 nan 8.210 nan 0.000 0.563 448 K N 4.638 125.028 120.400 -0.017 0.000 2.306 448 K HA 0.269 4.606 4.320 0.029 0.000 0.200 448 K C -0.474 176.141 176.600 0.025 0.000 1.083 448 K CA 0.321 56.614 56.287 0.011 0.000 0.959 448 K CB 0.512 33.019 32.500 0.011 0.000 0.994 448 K HN 0.397 nan 8.250 nan 0.000 0.492 449 V N 2.674 122.588 119.914 0.001 0.000 2.444 449 V HA 0.316 4.454 4.120 0.029 0.000 0.294 449 V C -1.353 174.723 176.094 -0.030 0.000 1.022 449 V CA -0.850 61.456 62.300 0.009 0.000 0.850 449 V CB 1.693 33.517 31.823 0.002 0.000 0.992 449 V HN 0.078 nan 8.190 nan 0.000 0.426 450 L N 4.557 125.775 121.223 -0.008 0.000 2.415 450 L HA 0.646 5.003 4.340 0.029 0.000 0.268 450 L C -0.932 175.913 176.870 -0.041 0.000 0.984 450 L CA -0.028 54.786 54.840 -0.043 0.000 0.853 450 L CB 1.569 43.621 42.059 -0.011 0.000 1.215 450 L HN 0.632 nan 8.230 nan 0.000 0.419 451 D N 4.894 125.237 120.400 -0.094 0.000 2.329 451 D HA 0.340 4.997 4.640 0.029 0.000 0.232 451 D C 0.035 176.263 176.300 -0.119 0.000 1.088 451 D CA -0.022 53.910 54.000 -0.113 0.000 0.835 451 D CB 1.174 41.892 40.800 -0.138 0.000 1.078 451 D HN 0.670 nan 8.370 nan 0.000 0.495 452 L N 4.330 125.508 121.223 -0.075 0.000 3.122 452 L HA 0.110 4.468 4.340 0.029 0.000 0.274 452 L C 0.942 177.770 176.870 -0.070 0.000 1.222 452 L CA -0.615 54.169 54.840 -0.092 0.000 1.028 452 L CB -0.013 42.013 42.059 -0.055 0.000 1.386 452 L HN 0.500 nan 8.230 nan 0.000 0.578 453 H N -0.839 118.170 119.070 -0.101 0.000 2.852 453 H HA 0.081 4.654 4.556 0.029 0.000 0.362 453 H C 0.115 175.403 175.328 -0.065 0.000 1.122 453 H CA 0.536 56.529 56.048 -0.091 0.000 1.419 453 H CB 0.899 30.578 29.762 -0.138 0.000 1.401 453 H HN 0.106 nan 8.280 nan 0.000 0.609 454 S N 1.906 117.645 115.700 0.064 0.000 3.791 454 S HA -0.200 4.287 4.470 0.029 0.000 0.393 454 S C -0.493 174.078 174.600 -0.047 0.000 0.936 454 S CA 0.955 59.163 58.200 0.013 0.000 1.234 454 S CB -1.674 61.545 63.200 0.032 0.000 0.891 454 S HN 0.906 nan 8.310 nan 0.000 0.519 455 N N 0.191 118.873 118.700 -0.029 0.000 3.379 455 N HA 0.548 5.305 4.740 0.029 0.000 0.350 455 N C -0.492 175.010 175.510 -0.014 0.000 1.553 455 N CA -1.083 51.949 53.050 -0.031 0.000 0.712 455 N CB 0.490 38.953 38.487 -0.040 0.000 1.880 455 N HN -0.037 nan 8.380 nan 0.000 0.648 456 K N 0.996 121.392 120.400 -0.007 0.000 3.135 456 K HA 0.407 4.744 4.320 0.029 0.000 0.210 456 K C -0.822 175.785 176.600 0.011 0.000 1.176 456 K CA -0.080 56.206 56.287 -0.002 0.000 1.064 456 K CB -0.223 32.276 32.500 -0.001 0.000 1.009 456 K HN 0.454 nan 8.250 nan 0.000 0.472 457 I N 1.423 122.006 120.570 0.021 0.000 2.396 457 I HA 0.082 4.269 4.170 0.029 0.000 0.289 457 I C 1.145 177.277 176.117 0.026 0.000 1.056 457 I CA 0.091 61.426 61.300 0.058 0.000 1.365 457 I CB 0.739 38.809 38.000 0.116 0.000 1.407 457 I HN 0.008 nan 8.210 nan 0.000 0.509 458 K N 3.869 124.287 120.400 0.029 0.000 2.358 458 K HA 0.148 4.485 4.320 0.029 0.000 0.197 458 K C -0.005 176.595 176.600 -0.000 0.000 1.025 458 K CA 0.076 56.360 56.287 -0.006 0.000 1.104 458 K CB 0.398 32.896 32.500 -0.003 0.000 0.855 458 K HN 0.786 nan 8.250 nan 0.000 0.531 459 S N -0.555 115.168 115.700 0.038 0.000 2.595 459 S HA 0.433 4.920 4.470 0.029 0.000 0.270 459 S C -1.135 173.482 174.600 0.028 0.000 1.145 459 S CA -1.039 57.175 58.200 0.025 0.000 0.825 459 S CB 1.043 64.250 63.200 0.011 0.000 1.107 459 S HN 0.039 nan 8.310 nan 0.000 0.461 460 I N 2.673 123.204 120.570 -0.065 0.000 2.359 460 I HA 0.392 4.580 4.170 0.029 0.000 0.284 460 I C -2.159 173.788 176.117 -0.282 0.000 1.018 460 I CA -2.170 58.969 61.300 -0.268 0.000 1.173 460 I CB 1.887 39.734 38.000 -0.254 0.000 1.326 460 I HN 0.536 nan 8.210 nan 0.000 0.462 461 P HA 0.100 nan 4.420 nan 0.000 0.275 461 P C 0.235 177.412 177.300 -0.204 0.000 1.266 461 P CA -0.461 62.542 63.100 -0.161 0.000 0.793 461 P CB 0.832 32.514 31.700 -0.031 0.000 1.074 462 K N 0.518 120.843 120.400 -0.125 0.000 2.211 462 K HA -0.177 4.160 4.320 0.029 0.000 0.203 462 K C 1.521 178.070 176.600 -0.085 0.000 1.050 462 K CA 1.344 57.561 56.287 -0.116 0.000 0.945 462 K CB -0.536 31.916 32.500 -0.080 0.000 0.732 462 K HN 0.172 nan 8.250 nan 0.000 0.451 463 Q N 1.417 121.190 119.800 -0.044 0.000 2.248 463 Q HA -0.096 4.261 4.340 0.029 0.000 0.208 463 Q C 2.082 178.090 176.000 0.013 0.000 0.984 463 Q CA 1.499 57.310 55.803 0.014 0.000 0.875 463 Q CB -0.497 28.294 28.738 0.087 0.000 0.910 463 Q HN 0.176 nan 8.270 nan 0.000 0.433 464 V N 0.526 120.394 119.914 -0.077 0.000 2.453 464 V HA -0.259 3.878 4.120 0.029 0.000 0.252 464 V C 2.196 178.287 176.094 -0.005 0.000 1.068 464 V CA 1.647 63.908 62.300 -0.065 0.000 1.070 464 V CB -1.217 30.440 31.823 -0.277 0.000 0.664 464 V HN 0.480 nan 8.190 nan 0.000 0.461 465 V N -2.106 117.789 119.914 -0.032 0.000 2.720 465 V HA -0.167 3.970 4.120 0.029 0.000 0.256 465 V C 2.281 178.387 176.094 0.019 0.000 1.082 465 V CA 1.622 63.917 62.300 -0.008 0.000 1.101 465 V CB -0.854 30.950 31.823 -0.032 0.000 0.693 465 V HN 0.380 nan 8.190 nan 0.000 0.479 466 K N 0.800 121.216 120.400 0.026 0.000 2.362 466 K HA 0.190 4.528 4.320 0.029 0.000 0.200 466 K C 1.073 177.701 176.600 0.046 0.000 1.046 466 K CA 0.483 56.792 56.287 0.036 0.000 0.952 466 K CB -0.444 32.081 32.500 0.042 0.000 0.753 466 K HN 0.529 nan 8.250 nan 0.000 0.466 467 L N 2.365 123.623 121.223 0.058 0.000 2.391 467 L HA 0.072 4.429 4.340 0.029 0.000 0.249 467 L C 1.154 178.058 176.870 0.057 0.000 1.308 467 L CA -0.132 54.746 54.840 0.063 0.000 1.209 467 L CB -0.257 41.855 42.059 0.089 0.000 1.401 467 L HN 0.097 nan 8.230 nan 0.000 0.416 468 E N 1.659 121.887 120.200 0.046 0.000 2.153 468 E HA -0.197 4.171 4.350 0.029 0.000 0.194 468 E C 1.893 178.520 176.600 0.045 0.000 0.988 468 E CA 1.285 57.712 56.400 0.045 0.000 0.811 468 E CB 0.160 29.882 29.700 0.036 0.000 0.746 468 E HN 0.759 nan 8.360 nan 0.000 0.466 469 A N 0.995 123.839 122.820 0.040 0.000 2.238 469 A HA 0.075 4.413 4.320 0.029 0.000 0.210 469 A C 0.902 178.512 177.584 0.043 0.000 1.179 469 A CA -0.325 51.734 52.037 0.036 0.000 0.827 469 A CB -0.026 18.988 19.000 0.024 0.000 0.856 469 A HN 0.134 nan 8.150 nan 0.000 0.488 470 L N 0.696 121.952 121.223 0.055 0.000 2.628 470 L HA -0.025 4.332 4.340 0.029 0.000 0.274 470 L C 0.988 177.903 176.870 0.075 0.000 1.209 470 L CA 0.994 55.875 54.840 0.069 0.000 0.930 470 L CB 0.193 42.307 42.059 0.092 0.000 1.183 470 L HN 0.475 nan 8.230 nan 0.000 0.492 471 Q N 3.136 122.981 119.800 0.075 0.000 2.442 471 Q HA 0.232 4.589 4.340 0.029 0.000 0.228 471 Q C -0.473 175.593 176.000 0.109 0.000 0.902 471 Q CA 0.348 56.198 55.803 0.078 0.000 0.933 471 Q CB 0.738 29.514 28.738 0.063 0.000 1.071 471 Q HN 0.674 nan 8.270 nan 0.000 0.562 472 E N 1.103 121.389 120.200 0.142 0.000 2.241 472 E HA 0.445 4.812 4.350 0.029 0.000 0.263 472 E C -1.667 175.084 176.600 0.252 0.000 0.882 472 E CA -0.552 55.997 56.400 0.249 0.000 0.769 472 E CB 2.484 32.365 29.700 0.301 0.000 1.185 472 E HN -0.082 nan 8.360 nan 0.000 0.415 473 L N 3.295 124.715 121.223 0.329 0.000 2.381 473 L HA 0.475 4.832 4.340 0.029 0.000 0.274 473 L C -1.396 175.725 176.870 0.419 0.000 0.988 473 L CA -0.429 54.580 54.840 0.283 0.000 0.824 473 L CB 1.574 43.770 42.059 0.228 0.000 1.263 473 L HN 0.382 nan 8.230 nan 0.000 0.410 474 N N 4.130 122.972 118.700 0.237 0.000 2.524 474 N HA 0.346 5.103 4.740 0.029 0.000 0.261 474 N C -0.428 175.168 175.510 0.144 0.000 0.998 474 N CA -0.287 52.868 53.050 0.176 0.000 0.915 474 N CB 1.679 39.956 38.487 -0.350 0.000 1.187 474 N HN 0.485 nan 8.380 nan 0.000 0.507 475 V N 1.185 121.226 119.914 0.211 0.000 3.006 475 V HA 0.602 4.739 4.120 0.029 0.000 0.357 475 V C 0.890 177.054 176.094 0.116 0.000 1.377 475 V CA -0.683 61.724 62.300 0.178 0.000 1.198 475 V CB -0.337 31.637 31.823 0.252 0.000 1.216 475 V HN 0.555 nan 8.190 nan 0.000 0.520 476 A N -0.181 122.663 122.820 0.042 0.000 2.386 476 A HA 0.572 4.909 4.320 0.029 0.000 0.246 476 A C 1.238 178.802 177.584 -0.034 0.000 1.089 476 A CA 0.656 52.616 52.037 -0.128 0.000 0.790 476 A CB -0.127 18.519 19.000 -0.590 0.000 1.042 476 A HN 1.470 nan 8.150 nan 0.000 0.497 477 S N 0.131 115.808 115.700 -0.039 0.000 3.631 477 S HA -0.179 4.308 4.470 0.029 0.000 0.366 477 S C 0.132 174.736 174.600 0.006 0.000 0.993 477 S CA 1.455 59.665 58.200 0.017 0.000 1.167 477 S CB -1.883 61.360 63.200 0.072 0.000 0.909 477 S HN 0.885 nan 8.310 nan 0.000 0.478 478 N N 0.375 119.055 118.700 -0.033 0.000 3.384 478 N HA 0.557 5.315 4.740 0.029 0.000 0.352 478 N C 0.306 175.762 175.510 -0.090 0.000 1.466 478 N CA -0.796 52.230 53.050 -0.040 0.000 0.629 478 N CB 0.426 38.902 38.487 -0.018 0.000 1.810 478 N HN 0.237 nan 8.380 nan 0.000 0.575 479 Q N 0.280 120.016 119.800 -0.108 0.000 2.144 479 Q HA 0.393 4.751 4.340 0.029 0.000 0.305 479 Q C -1.164 174.712 176.000 -0.207 0.000 0.876 479 Q CA -0.119 55.601 55.803 -0.139 0.000 1.130 479 Q CB 0.533 29.224 28.738 -0.078 0.000 1.267 479 Q HN 0.289 nan 8.270 nan 0.000 0.433 480 L N 0.863 121.879 121.223 -0.346 0.000 2.360 480 L HA 0.169 4.527 4.340 0.029 0.000 0.276 480 L C 1.059 177.530 176.870 -0.666 0.000 1.121 480 L CA 0.286 54.844 54.840 -0.470 0.000 0.845 480 L CB 0.694 42.397 42.059 -0.594 0.000 1.143 480 L HN 0.152 nan 8.230 nan 0.000 0.452 481 K N 1.039 121.268 120.400 -0.284 0.000 2.335 481 K HA 0.137 4.475 4.320 0.029 0.000 0.195 481 K C 0.279 177.009 176.600 0.216 0.000 1.058 481 K CA 0.291 56.523 56.287 -0.092 0.000 0.988 481 K CB 0.656 33.144 32.500 -0.019 0.000 0.880 481 K HN 0.775 nan 8.250 nan 0.000 0.513 482 S N -0.738 115.118 115.700 0.259 0.000 2.636 482 S HA 0.523 5.011 4.470 0.029 0.000 0.268 482 S C -1.067 173.732 174.600 0.333 0.000 1.159 482 S CA -0.962 57.486 58.200 0.414 0.000 0.815 482 S CB 1.398 64.721 63.200 0.205 0.000 1.130 482 S HN -0.056 nan 8.310 nan 0.000 0.471 483 V N -2.341 117.703 119.914 0.217 0.000 3.040 483 V HA 0.868 5.005 4.120 0.029 0.000 0.312 483 V C -3.224 172.828 176.094 -0.071 0.000 1.115 483 V CA -2.440 59.883 62.300 0.038 0.000 0.998 483 V CB 0.661 32.450 31.823 -0.055 0.000 1.042 483 V HN 0.816 nan 8.190 nan 0.000 0.433 484 P HA 0.269 nan 4.420 nan 0.000 0.271 484 P C -0.839 176.240 177.300 -0.369 0.000 1.218 484 P CA 0.003 62.974 63.100 -0.216 0.000 0.780 484 P CB 0.235 31.802 31.700 -0.222 0.000 0.901 485 D N 1.662 121.842 120.400 -0.367 0.000 2.488 485 D HA 0.172 4.829 4.640 0.029 0.000 0.238 485 D C 1.594 177.339 176.300 -0.925 0.000 1.138 485 D CA 1.461 55.065 54.000 -0.660 0.000 0.873 485 D CB 0.129 40.718 40.800 -0.351 0.000 1.183 485 D HN 0.694 nan 8.370 nan 0.000 0.458 486 G N 2.093 109.785 108.800 -1.846 0.000 2.168 486 G HA2 -0.373 3.605 3.960 0.029 0.000 0.263 486 G HA3 -0.373 3.605 3.960 0.029 0.000 0.263 486 G C 1.157 175.702 174.900 -0.591 0.000 0.977 486 G CA 0.403 44.905 45.100 -0.997 0.000 0.659 486 G HN 0.536 nan 8.290 nan 0.000 0.533 487 I N -0.078 120.057 120.570 -0.725 0.000 2.236 487 I HA -0.081 4.106 4.170 0.029 0.000 0.249 487 I C 2.147 177.971 176.117 -0.488 0.000 1.102 487 I CA 1.856 62.791 61.300 -0.607 0.000 1.365 487 I CB -0.281 37.226 38.000 -0.821 0.000 1.051 487 I HN 0.357 nan 8.210 nan 0.000 0.420 488 F N -0.496 119.345 119.950 -0.183 0.000 2.765 488 F HA 0.049 4.593 4.527 0.029 0.000 0.302 488 F C 1.865 177.644 175.800 -0.035 0.000 1.111 488 F CA -0.270 57.589 58.000 -0.236 0.000 1.359 488 F CB -0.307 38.236 39.000 -0.763 0.000 1.097 488 F HN 0.010 nan 8.300 nan 0.000 0.577 489 D N 0.878 121.369 120.400 0.152 0.000 2.221 489 D HA -0.135 4.523 4.640 0.029 0.000 0.204 489 D C 1.709 178.088 176.300 0.131 0.000 0.982 489 D CA 1.178 55.285 54.000 0.178 0.000 0.857 489 D CB -0.207 40.656 40.800 0.106 0.000 0.934 489 D HN 0.308 nan 8.370 nan 0.000 0.475 490 R N -0.204 120.346 120.500 0.084 0.000 2.388 490 R HA 0.258 4.615 4.340 0.029 0.000 0.247 490 R C 0.329 176.681 176.300 0.086 0.000 0.931 490 R CA -0.098 56.044 56.100 0.069 0.000 1.082 490 R CB 0.433 30.752 30.300 0.030 0.000 1.135 490 R HN 0.088 nan 8.270 nan 0.000 0.525 491 L N 1.905 123.204 121.223 0.127 0.000 2.598 491 L HA 0.145 4.503 4.340 0.029 0.000 0.241 491 L C 1.288 178.238 176.870 0.134 0.000 1.244 491 L CA -0.228 54.690 54.840 0.129 0.000 1.198 491 L CB 0.512 42.666 42.059 0.160 0.000 1.448 491 L HN 0.178 nan 8.230 nan 0.000 0.406 492 T N -4.825 109.793 114.554 0.106 0.000 3.007 492 T HA -0.107 4.260 4.350 0.029 0.000 0.270 492 T C 1.571 176.317 174.700 0.076 0.000 1.107 492 T CA 1.176 63.332 62.100 0.093 0.000 1.118 492 T CB 0.025 68.936 68.868 0.071 0.000 0.889 492 T HN 0.396 nan 8.240 nan 0.000 0.506 493 S N 0.516 116.260 115.700 0.073 0.000 2.524 493 S HA 0.322 4.810 4.470 0.029 0.000 0.216 493 S C 0.491 175.130 174.600 0.065 0.000 0.987 493 S CA -0.596 57.639 58.200 0.059 0.000 0.909 493 S CB -0.301 62.931 63.200 0.053 0.000 0.781 493 S HN 0.408 nan 8.310 nan 0.000 0.521 494 L N 2.583 123.858 121.223 0.086 0.000 2.578 494 L HA -0.015 4.342 4.340 0.029 0.000 0.279 494 L C 0.808 177.715 176.870 0.062 0.000 1.227 494 L CA 1.208 56.102 54.840 0.089 0.000 0.900 494 L CB 0.353 42.484 42.059 0.121 0.000 1.144 494 L HN 0.141 nan 8.230 nan 0.000 0.496 495 Q N 2.824 122.649 119.800 0.041 0.000 2.279 495 Q HA 0.292 4.650 4.340 0.029 0.000 0.261 495 Q C -0.513 175.458 176.000 -0.049 0.000 0.796 495 Q CA 0.018 55.819 55.803 -0.002 0.000 0.971 495 Q CB 0.912 29.654 28.738 0.006 0.000 1.179 495 Q HN 0.550 nan 8.270 nan 0.000 0.505 496 K N 0.777 121.157 120.400 -0.033 0.000 2.501 496 K HA 0.608 4.946 4.320 0.029 0.000 0.252 496 K C -1.668 174.869 176.600 -0.105 0.000 0.934 496 K CA -0.472 55.711 56.287 -0.173 0.000 0.797 496 K CB 3.022 35.394 32.500 -0.214 0.000 1.270 496 K HN -0.056 nan 8.250 nan 0.000 0.431 497 I N 1.313 121.724 120.570 -0.265 0.000 2.692 497 I HA 0.438 4.625 4.170 0.029 0.000 0.293 497 I C -1.551 174.506 176.117 -0.100 0.000 1.200 497 I CA -0.558 60.728 61.300 -0.023 0.000 1.036 497 I CB 1.573 39.539 38.000 -0.057 0.000 1.258 497 I HN 0.634 nan 8.210 nan 0.000 0.421 498 W N 8.135 129.469 121.300 0.056 0.000 2.417 498 W HA 0.449 5.127 4.660 0.030 0.000 0.315 498 W C -0.404 176.148 176.519 0.055 0.000 1.045 498 W CA -0.472 56.909 57.345 0.059 0.000 1.221 498 W CB 1.813 31.274 29.460 0.002 0.000 1.309 498 W HN 0.446 nan 8.180 nan 0.000 0.453 499 L N 2.967 124.365 121.223 0.290 0.000 3.217 499 L HA 0.020 4.377 4.340 0.029 0.000 0.288 499 L C 1.282 178.424 176.870 0.452 0.000 1.202 499 L CA -0.243 54.836 54.840 0.398 0.000 1.027 499 L CB -0.115 42.203 42.059 0.430 0.000 1.427 499 L HN 0.392 nan 8.230 nan 0.000 0.600 500 H N -0.944 118.341 119.070 0.359 0.000 2.730 500 H HA 0.059 4.632 4.556 0.029 0.000 0.376 500 H C -0.060 175.404 175.328 0.227 0.000 1.299 500 H CA 0.701 56.928 56.048 0.297 0.000 1.447 500 H CB 0.252 30.134 29.762 0.200 0.000 1.493 500 H HN 0.054 nan 8.280 nan 0.000 0.619 501 T N 0.366 115.122 114.554 0.337 0.000 3.970 501 T HA -0.221 4.146 4.350 0.029 0.000 0.361 501 T C -0.588 174.130 174.700 0.031 0.000 0.758 501 T CA 1.159 63.368 62.100 0.182 0.000 1.940 501 T CB -2.114 66.886 68.868 0.220 0.000 1.821 501 T HN 0.819 nan 8.240 nan 0.000 0.818 502 N N 1.122 119.792 118.700 -0.050 0.000 2.225 502 N HA 0.459 5.216 4.740 0.029 0.000 0.298 502 N C -2.710 172.552 175.510 -0.413 0.000 1.076 502 N CA -1.998 50.827 53.050 -0.376 0.000 0.792 502 N CB 2.096 40.089 38.487 -0.825 0.000 1.498 502 N HN -0.072 nan 8.380 nan 0.000 0.474 503 P HA 0.042 nan 4.420 nan 0.000 0.230 503 P C -0.963 176.253 177.300 -0.141 0.000 1.791 503 P CA -0.178 62.821 63.100 -0.168 0.000 1.020 503 P CB -0.568 31.064 31.700 -0.113 0.000 1.977 504 W N 1.436 122.768 121.300 0.053 0.000 2.322 504 W HA 0.023 4.700 4.660 0.029 0.000 0.328 504 W C 1.020 177.565 176.519 0.043 0.000 1.395 504 W CA -0.347 57.030 57.345 0.053 0.000 1.267 504 W CB 0.228 29.725 29.460 0.063 0.000 1.259 504 W HN 0.239 nan 8.180 nan 0.000 0.560 505 D N 3.987 124.569 120.400 0.303 0.000 2.393 505 D HA 0.088 4.745 4.640 0.029 0.000 0.232 505 D C -0.048 176.356 176.300 0.175 0.000 1.192 505 D CA -0.333 53.776 54.000 0.183 0.000 0.882 505 D CB 0.408 41.288 40.800 0.134 0.000 1.038 505 D HN 0.344 nan 8.370 nan 0.000 0.499 506 c N 3.363 122.047 118.600 0.140 0.000 2.454 506 c HA 0.134 4.722 4.570 0.029 0.000 0.321 506 c C 0.908 175.040 174.090 0.069 0.000 1.299 506 c CA -0.410 55.979 56.329 0.100 0.000 1.683 506 c CB -2.325 40.236 42.510 0.086 0.000 1.772 506 c HN 0.621 nan 8.230 nan 0.000 0.596 507 S N -0.753 114.988 115.700 0.069 0.000 2.533 507 S HA 0.061 4.548 4.470 0.029 0.000 0.282 507 S C 1.125 175.754 174.600 0.047 0.000 1.304 507 S CA -0.418 57.813 58.200 0.051 0.000 1.063 507 S CB 0.513 63.741 63.200 0.048 0.000 0.881 507 S HN 0.560 nan 8.310 nan 0.000 0.493 508 C N 3.610 122.932 119.300 0.037 0.000 2.376 508 C HA -0.045 4.432 4.460 0.029 0.000 0.275 508 C C 0.031 175.042 174.990 0.036 0.000 1.200 508 C CA 1.232 60.270 59.018 0.034 0.000 1.756 508 C CB -1.749 26.007 27.740 0.026 0.000 2.050 508 C HN 0.834 nan 8.230 nan 0.000 0.460 509 P HA -0.039 nan 4.420 nan 0.000 0.269 509 P C 0.700 178.022 177.300 0.037 0.000 1.376 509 P CA 1.364 64.483 63.100 0.031 0.000 0.775 509 P CB -0.290 31.425 31.700 0.024 0.000 1.345 510 R N -0.897 119.631 120.500 0.048 0.000 2.663 510 R HA 0.205 4.562 4.340 0.029 0.000 0.199 510 R C 1.531 177.876 176.300 0.076 0.000 0.870 510 R CA -0.155 55.980 56.100 0.058 0.000 1.040 510 R CB -0.173 30.163 30.300 0.061 0.000 1.524 510 R HN -0.059 nan 8.270 nan 0.000 0.643 511 I N 2.064 122.676 120.570 0.070 0.000 3.684 511 I HA 0.033 4.220 4.170 0.029 0.000 0.304 511 I C 1.070 177.215 176.117 0.046 0.000 1.278 511 I CA 0.621 61.956 61.300 0.059 0.000 1.272 511 I CB 0.209 38.239 38.000 0.048 0.000 1.029 511 I HN 0.184 nan 8.210 nan 0.000 0.458 512 D N 0.192 120.630 120.400 0.064 0.000 2.103 512 D HA -0.351 4.307 4.640 0.029 0.000 0.190 512 D C 2.100 178.456 176.300 0.093 0.000 0.997 512 D CA 2.001 56.041 54.000 0.067 0.000 0.833 512 D CB -0.300 40.543 40.800 0.072 0.000 0.961 512 D HN 0.447 nan 8.370 nan 0.000 0.447 513 Y N 0.801 121.111 120.300 0.015 0.000 2.081 513 Y HA -0.176 4.391 4.550 0.029 0.000 0.280 513 Y C 2.246 178.194 175.900 0.080 0.000 1.163 513 Y CA 1.645 59.767 58.100 0.036 0.000 1.135 513 Y CB -0.660 37.794 38.460 -0.010 0.000 0.970 513 Y HN 0.101 nan 8.280 nan 0.000 0.498 514 L N -0.201 120.960 121.223 -0.104 0.000 2.017 514 L HA -0.238 4.119 4.340 0.029 0.000 0.208 514 L C 2.630 179.422 176.870 -0.129 0.000 1.073 514 L CA 2.093 56.820 54.840 -0.188 0.000 0.745 514 L CB -0.753 41.205 42.059 -0.169 0.000 0.894 514 L HN 0.533 nan 8.230 nan 0.000 0.432 515 S N -0.531 115.112 115.700 -0.095 0.000 2.368 515 S HA -0.231 4.256 4.470 0.029 0.000 0.225 515 S C 1.951 176.510 174.600 -0.069 0.000 1.030 515 S CA 0.949 59.102 58.200 -0.078 0.000 0.999 515 S CB -0.452 62.720 63.200 -0.048 0.000 0.844 515 S HN 0.438 nan 8.310 nan 0.000 0.459 516 R N -0.311 120.152 120.500 -0.062 0.000 2.062 516 R HA -0.003 4.354 4.340 0.029 0.000 0.231 516 R C 2.161 178.410 176.300 -0.085 0.000 1.136 516 R CA 1.468 57.533 56.100 -0.058 0.000 0.948 516 R CB -0.532 29.758 30.300 -0.017 0.000 0.845 516 R HN 0.576 nan 8.270 nan 0.000 0.430 517 W N 1.201 122.306 121.300 -0.325 0.000 2.335 517 W HA -0.206 4.471 4.660 0.029 0.000 0.311 517 W C 1.689 178.072 176.519 -0.227 0.000 1.213 517 W CA 1.137 58.291 57.345 -0.319 0.000 1.274 517 W CB -0.258 28.878 29.460 -0.541 0.000 1.148 517 W HN 0.005 nan 8.180 nan 0.000 0.498 518 L N 1.031 122.271 121.223 0.030 0.000 2.265 518 L HA -0.188 4.169 4.340 0.029 0.000 0.215 518 L C 1.934 178.676 176.870 -0.213 0.000 1.117 518 L CA 2.108 56.901 54.840 -0.080 0.000 0.782 518 L CB -1.244 40.795 42.059 -0.033 0.000 0.914 518 L HN 0.109 nan 8.230 nan 0.000 0.441 519 N N -0.925 117.659 118.700 -0.192 0.000 2.251 519 N HA -0.167 4.591 4.740 0.029 0.000 0.181 519 N C 1.810 177.185 175.510 -0.225 0.000 1.019 519 N CA 0.774 53.719 53.050 -0.175 0.000 0.862 519 N CB 0.062 38.477 38.487 -0.120 0.000 0.992 519 N HN 0.018 nan 8.380 nan 0.000 0.429 520 K N 0.331 120.562 120.400 -0.282 0.000 2.228 520 K HA 0.170 4.507 4.320 0.029 0.000 0.202 520 K C 0.055 176.411 176.600 -0.408 0.000 1.051 520 K CA 1.005 57.115 56.287 -0.296 0.000 0.960 520 K CB 0.105 32.444 32.500 -0.267 0.000 0.743 520 K HN 0.171 nan 8.250 nan 0.000 0.458 521 N N 0.436 118.756 118.700 -0.634 0.000 2.453 521 N HA 0.001 4.758 4.740 0.029 0.000 0.270 521 N C 0.192 175.385 175.510 -0.528 0.000 1.195 521 N CA 0.058 52.670 53.050 -0.730 0.000 0.902 521 N CB 0.928 38.542 38.487 -1.455 0.000 1.186 521 N HN 0.095 nan 8.380 nan 0.000 0.510 522 S N 1.196 116.683 115.700 -0.356 0.000 2.392 522 S HA -0.199 4.289 4.470 0.029 0.000 0.232 522 S C 1.716 176.182 174.600 -0.223 0.000 1.041 522 S CA 1.515 59.564 58.200 -0.252 0.000 1.026 522 S CB 0.134 63.222 63.200 -0.188 0.000 0.845 522 S HN 0.423 nan 8.310 nan 0.000 0.465 523 Q N -0.065 119.604 119.800 -0.218 0.000 2.224 523 Q HA -0.061 4.297 4.340 0.029 0.000 0.203 523 Q C 2.155 178.034 176.000 -0.200 0.000 0.970 523 Q CA 1.032 56.726 55.803 -0.182 0.000 0.865 523 Q CB -0.107 28.540 28.738 -0.153 0.000 0.922 523 Q HN 0.590 nan 8.270 nan 0.000 0.445 524 K N 1.037 121.293 120.400 -0.240 0.000 2.116 524 K HA -0.046 4.291 4.320 0.029 0.000 0.203 524 K C 0.815 177.260 176.600 -0.259 0.000 1.052 524 K CA 0.273 56.424 56.287 -0.227 0.000 0.952 524 K CB 0.041 32.413 32.500 -0.214 0.000 0.729 524 K HN 0.164 nan 8.250 nan 0.000 0.446 525 E N 2.192 122.248 120.200 -0.240 0.000 2.366 525 E HA -0.063 4.304 4.350 0.029 0.000 0.266 525 E C -0.649 175.769 176.600 -0.303 0.000 1.015 525 E CA -0.133 56.133 56.400 -0.223 0.000 0.906 525 E CB 0.523 30.141 29.700 -0.136 0.000 0.979 525 E HN -0.006 nan 8.360 nan 0.000 0.443 526 Q N 2.708 122.221 119.800 -0.480 0.000 2.290 526 Q HA 0.433 4.790 4.340 0.029 0.000 0.259 526 Q C 0.377 176.254 176.000 -0.205 0.000 0.941 526 Q CA 0.109 55.577 55.803 -0.557 0.000 0.912 526 Q CB 1.621 29.496 28.738 -1.438 0.000 1.244 526 Q HN 0.878 nan 8.270 nan 0.000 0.441 527 G N 1.884 110.622 108.800 -0.104 0.000 2.693 527 G HA2 -0.202 3.775 3.960 0.029 0.000 0.226 527 G HA3 -0.202 3.775 3.960 0.029 0.000 0.226 527 G C -0.745 174.151 174.900 -0.007 0.000 1.354 527 G CA -0.172 44.891 45.100 -0.062 0.000 0.873 527 G HN 0.687 nan 8.290 nan 0.000 0.562 528 S N -0.576 115.141 115.700 0.028 0.000 2.789 528 S HA 0.728 5.215 4.470 0.029 0.000 0.286 528 S C 0.293 174.981 174.600 0.147 0.000 1.153 528 S CA 0.877 59.110 58.200 0.055 0.000 1.084 528 S CB 0.487 63.691 63.200 0.008 0.000 1.036 528 S HN 2.219 nan 8.310 nan 0.000 0.484 529 A N 4.981 127.899 122.820 0.164 0.000 2.477 529 A HA 0.529 4.866 4.320 0.029 0.000 0.246 529 A C 0.075 177.765 177.584 0.177 0.000 1.078 529 A CA 0.178 52.364 52.037 0.249 0.000 0.770 529 A CB 0.180 19.227 19.000 0.079 0.000 1.011 529 A HN 0.805 nan 8.150 nan 0.000 0.494 530 K N 1.127 121.708 120.400 0.300 0.000 2.395 530 K HA 0.467 4.805 4.320 0.029 0.000 0.247 530 K C -1.067 175.701 176.600 0.280 0.000 0.973 530 K CA -0.709 55.705 56.287 0.211 0.000 0.828 530 K CB 1.901 34.492 32.500 0.152 0.000 1.272 530 K HN 0.689 nan 8.250 nan 0.000 0.439 531 c N 1.351 120.061 118.600 0.184 0.000 2.637 531 c HA 0.119 4.706 4.570 0.029 0.000 0.418 531 c C 1.149 175.330 174.090 0.151 0.000 1.319 531 c CA -0.402 56.038 56.329 0.185 0.000 1.949 531 c CB 0.205 42.786 42.510 0.118 0.000 2.639 531 c HN 0.719 nan 8.230 nan 0.000 0.594 532 S N 2.089 117.878 115.700 0.149 0.000 2.525 532 S HA 0.417 4.904 4.470 0.029 0.000 0.285 532 S C 1.284 175.926 174.600 0.070 0.000 1.283 532 S CA 1.025 59.281 58.200 0.092 0.000 1.072 532 S CB -0.219 63.024 63.200 0.072 0.000 0.867 532 S HN 1.632 nan 8.310 nan 0.000 0.492 533 G N 4.100 112.933 108.800 0.055 0.000 3.444 533 G HA2 -0.386 3.591 3.960 0.029 0.000 0.222 533 G HA3 -0.386 3.591 3.960 0.029 0.000 0.222 533 G C 1.482 176.408 174.900 0.043 0.000 1.358 533 G CA 1.069 46.195 45.100 0.043 0.000 0.880 533 G HN 1.191 nan 8.290 nan 0.000 0.555 534 S N 0.829 116.559 115.700 0.050 0.000 2.353 534 S HA 0.218 4.705 4.470 0.029 0.000 0.222 534 S C 2.525 177.152 174.600 0.045 0.000 1.035 534 S CA 3.057 61.284 58.200 0.045 0.000 1.025 534 S CB -0.761 62.468 63.200 0.049 0.000 0.902 534 S HN 2.642 nan 8.310 nan 0.000 0.440 535 G N 0.571 109.406 108.800 0.059 0.000 2.195 535 G HA2 -0.224 3.753 3.960 0.029 0.000 0.246 535 G HA3 -0.224 3.753 3.960 0.029 0.000 0.246 535 G C -0.016 174.916 174.900 0.054 0.000 0.984 535 G CA 0.368 45.503 45.100 0.058 0.000 0.633 535 G HN 0.627 nan 8.290 nan 0.000 0.525 536 K N 1.925 122.354 120.400 0.049 0.000 2.237 536 K HA 0.405 4.743 4.320 0.029 0.000 0.270 536 K C -2.255 174.369 176.600 0.041 0.000 1.015 536 K CA -1.375 54.933 56.287 0.036 0.000 0.949 536 K CB 0.951 33.468 32.500 0.027 0.000 0.976 536 K HN 0.111 nan 8.250 nan 0.000 0.472 537 P HA -0.048 nan 4.420 nan 0.000 0.271 537 P C 0.871 178.168 177.300 -0.005 0.000 1.226 537 P CA -0.019 63.090 63.100 0.015 0.000 0.765 537 P CB 0.783 32.481 31.700 -0.003 0.000 0.835 538 V N 4.806 124.706 119.914 -0.023 0.000 2.317 538 V HA -0.278 3.859 4.120 0.029 0.000 0.251 538 V C 2.798 178.848 176.094 -0.073 0.000 1.065 538 V CA 2.437 64.695 62.300 -0.070 0.000 1.049 538 V CB -1.268 30.432 31.823 -0.205 0.000 0.651 538 V HN 0.677 nan 8.190 nan 0.000 0.450 539 R N 1.128 121.584 120.500 -0.074 0.000 2.170 539 R HA -0.200 4.158 4.340 0.029 0.000 0.242 539 R C 2.084 178.350 176.300 -0.056 0.000 1.145 539 R CA 1.993 58.049 56.100 -0.074 0.000 0.984 539 R CB -0.328 29.926 30.300 -0.077 0.000 0.869 539 R HN 0.675 nan 8.270 nan 0.000 0.455 540 S N -0.650 115.026 115.700 -0.040 0.000 2.575 540 S HA 0.152 4.640 4.470 0.029 0.000 0.215 540 S C 0.407 174.995 174.600 -0.020 0.000 0.966 540 S CA -0.598 57.585 58.200 -0.029 0.000 0.911 540 S CB -0.008 63.180 63.200 -0.021 0.000 0.780 540 S HN 0.114 nan 8.310 nan 0.000 0.514 541 I N 2.349 122.907 120.570 -0.019 0.000 2.474 541 I HA 0.386 4.573 4.170 0.029 0.000 0.287 541 I C -0.105 176.007 176.117 -0.009 0.000 1.048 541 I CA -0.507 60.788 61.300 -0.008 0.000 1.383 541 I CB 0.956 38.956 38.000 -0.001 0.000 1.412 541 I HN 0.247 nan 8.210 nan 0.000 0.531 542 I N 5.506 126.074 120.570 -0.002 0.000 2.418 542 I HA 0.381 4.568 4.170 0.029 0.000 0.287 542 I C -0.795 175.326 176.117 0.007 0.000 1.008 542 I CA -0.413 60.886 61.300 -0.001 0.000 1.104 542 I CB 1.426 39.424 38.000 -0.004 0.000 1.264 542 I HN 0.488 nan 8.210 nan 0.000 0.438 543 C N 5.744 125.051 119.300 0.011 0.000 2.399 543 C HA 0.695 5.172 4.460 0.029 0.000 0.348 543 C C -1.394 173.605 174.990 0.014 0.000 1.183 543 C CA -0.755 58.272 59.018 0.016 0.000 2.023 543 C CB 0.749 28.503 27.740 0.023 0.000 2.361 543 C HN 0.610 nan 8.230 nan 0.000 0.521 544 P HA 0.000 nan 4.420 nan 0.000 0.216 544 P CA 0.000 63.107 63.100 0.012 0.000 0.800 544 P CB 0.000 31.706 31.700 0.011 0.000 0.726