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 2qxl_1_B DATA FIRST_RESID 3 DATA SEQUENCE TPFGLDLGNN NSVLAVARNR GIDIVVNEVS NRSTPSVVGF GPKNRYLGET DATA SEQUENCE GKNKQTSNIK NTVANLKRII GLDYHHPDFE QESKHFTSKL VELDDKKTGA DATA SEQUENCE EVRFAGEKHV FSATQLAAMF IDKVKDTVKQ DTKANITDVC IAVPPWYTEE DATA SEQUENCE QRYNIADAAR IAGLNPVRIV NDVTAAGVSY GIFKTDLPEG EEKPRIVAFV DATA SEQUENCE DIGHSSYTCS IMAFKKGQLK VLGTACDKHF GGRDFDLAIT EHFADEFKTK DATA SEQUENCE YKIDIRENPK AYNRILTAAE KLKKVLSANT NAPFSVESVM NDVDVSSQLS DATA SEQUENCE REELEELVKP LLERVTEPVT KALAQAKLSA EEVDFVEIIG GTTRIPTLKQ DATA SEQUENCE SISEAFGKPL STTLNQDEAI AKGAAFICAI HSPTLRVRPF KFEDIHPYSV DATA SEQUENCE SYSWDKQVED EDHMEVFPAG SSFPSTKLIT LNRTGDFSMA ASYTDITQLP DATA SEQUENCE PNTPEQIANW EITXXQLPEG QDSVPVKLKL RCDPSGLHTI EEAYTIEDIE DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXKTVKKDD LTIVAHTFGL DAKKLNELIE DATA SEQUENCE KENEMLAQDK LVAETEDRKN TLEEYIYTLR GKLEEEYAPF ASDAEKTKLQ DATA SEQUENCE GMLNKAEEWL YDEGFDSIKA KYIAKYEELA SLGNIIRGRY LAKEEEKKQA 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 3 T HA 0.000 nan 4.350 nan 0.000 0.228 3 T C 0.000 174.739 174.700 0.065 0.000 1.109 3 T CA 0.000 62.116 62.100 0.026 0.000 1.349 3 T CB 0.000 68.868 68.868 0.000 0.000 0.612 4 P HA 0.316 nan 4.420 nan 0.000 0.262 4 P C -1.008 176.395 177.300 0.172 0.000 1.182 4 P CA -0.308 62.847 63.100 0.092 0.000 0.761 4 P CB 0.140 31.868 31.700 0.047 0.000 0.795 5 F N 3.532 123.474 119.950 -0.013 0.000 2.477 5 F HA 0.652 5.179 4.527 -0.001 0.000 0.335 5 F C -0.233 175.558 175.800 -0.015 0.000 1.130 5 F CA -1.346 56.643 58.000 -0.017 0.000 0.948 5 F CB 1.350 40.335 39.000 -0.025 0.000 1.154 5 F HN 0.325 nan 8.300 nan 0.000 0.439 6 G N 6.244 115.045 108.800 0.003 0.000 2.368 6 G HA2 0.552 4.511 3.960 -0.001 0.000 0.320 6 G HA3 0.552 4.511 3.960 -0.001 0.000 0.320 6 G C -2.219 172.527 174.900 -0.257 0.000 1.158 6 G CA -0.630 44.361 45.100 -0.181 0.000 0.912 6 G HN 0.707 nan 8.290 nan 0.000 0.456 7 L N 2.174 123.164 121.223 -0.387 0.000 2.319 7 L HA 0.544 4.883 4.340 -0.001 0.000 0.281 7 L C -0.972 175.819 176.870 -0.132 0.000 1.005 7 L CA -0.980 53.705 54.840 -0.259 0.000 0.828 7 L CB 1.930 43.748 42.059 -0.401 0.000 1.227 7 L HN 0.426 nan 8.230 nan 0.000 0.415 8 D N 4.809 125.176 120.400 -0.055 0.000 2.411 8 D HA 0.173 4.813 4.640 -0.001 0.000 0.225 8 D C -0.852 175.441 176.300 -0.011 0.000 1.156 8 D CA -0.261 53.709 54.000 -0.050 0.000 0.874 8 D CB 0.642 41.420 40.800 -0.037 0.000 1.034 8 D HN 0.417 nan 8.370 nan 0.000 0.502 9 L N 4.949 126.151 121.223 -0.034 0.000 2.334 9 L HA 0.533 4.872 4.340 -0.001 0.000 0.286 9 L C 0.468 177.314 176.870 -0.039 0.000 1.108 9 L CA -0.250 54.596 54.840 0.009 0.000 0.875 9 L CB 0.305 42.369 42.059 0.008 0.000 1.246 9 L HN 0.419 nan 8.230 nan 0.000 0.439 10 G N 2.783 111.567 108.800 -0.028 0.000 2.451 10 G HA2 0.089 4.049 3.960 -0.001 0.000 0.303 10 G HA3 0.089 4.049 3.960 -0.001 0.000 0.303 10 G C 0.731 175.586 174.900 -0.075 0.000 1.166 10 G CA -0.454 44.620 45.100 -0.043 0.000 0.884 10 G HN 0.701 nan 8.290 nan 0.000 0.514 11 N N 0.240 118.924 118.700 -0.026 0.000 2.166 11 N HA -0.149 4.590 4.740 -0.001 0.000 0.186 11 N C 1.638 177.031 175.510 -0.194 0.000 1.019 11 N CA 1.165 54.199 53.050 -0.026 0.000 0.856 11 N CB 0.056 38.633 38.487 0.149 0.000 0.993 11 N HN 0.667 nan 8.380 nan 0.000 0.426 12 N N 0.300 118.823 118.700 -0.295 0.000 2.420 12 N HA -0.069 4.670 4.740 -0.001 0.000 0.185 12 N C -0.424 174.927 175.510 -0.264 0.000 1.033 12 N CA 0.601 53.354 53.050 -0.495 0.000 0.879 12 N CB 0.309 38.423 38.487 -0.621 0.000 1.071 12 N HN 0.339 nan 8.380 nan 0.000 0.437 13 N N -1.145 117.461 118.700 -0.157 0.000 2.329 13 N HA 0.305 5.044 4.740 -0.001 0.000 0.282 13 N C -1.884 173.620 175.510 -0.009 0.000 1.198 13 N CA -0.698 52.307 53.050 -0.073 0.000 0.790 13 N CB 2.048 40.505 38.487 -0.049 0.000 1.579 13 N HN -0.223 nan 8.380 nan 0.000 0.475 14 S N 0.166 115.916 115.700 0.083 0.000 2.503 14 S HA 0.664 5.133 4.470 -0.001 0.000 0.301 14 S C -0.871 173.791 174.600 0.104 0.000 1.087 14 S CA -0.704 57.578 58.200 0.137 0.000 1.042 14 S CB 1.350 64.758 63.200 0.347 0.000 1.043 14 S HN 0.435 nan 8.310 nan 0.000 0.489 15 V N 3.801 123.758 119.914 0.072 0.000 2.495 15 V HA 0.530 4.649 4.120 -0.001 0.000 0.298 15 V C -0.717 175.424 176.094 0.079 0.000 1.031 15 V CA -0.713 61.620 62.300 0.054 0.000 0.871 15 V CB 1.316 33.152 31.823 0.020 0.000 0.988 15 V HN 0.703 nan 8.190 nan 0.000 0.432 16 L N 3.946 125.227 121.223 0.097 0.000 2.341 16 L HA 0.956 5.295 4.340 -0.001 0.000 0.278 16 L C -0.010 176.938 176.870 0.131 0.000 1.005 16 L CA -0.582 54.367 54.840 0.181 0.000 0.818 16 L CB 1.760 43.921 42.059 0.170 0.000 1.259 16 L HN 0.728 nan 8.230 nan 0.000 0.418 17 A N 2.736 125.663 122.820 0.179 0.000 2.414 17 A HA 0.893 5.212 4.320 -0.001 0.000 0.306 17 A C -0.789 176.895 177.584 0.166 0.000 1.054 17 A CA -0.627 51.480 52.037 0.118 0.000 0.724 17 A CB 2.153 21.193 19.000 0.067 0.000 1.267 17 A HN 0.574 nan 8.150 nan 0.000 0.418 18 V N -1.012 118.961 119.914 0.098 0.000 2.823 18 V HA 0.926 5.045 4.120 -0.001 0.000 0.312 18 V C 0.125 176.257 176.094 0.062 0.000 1.072 18 V CA -0.513 61.841 62.300 0.090 0.000 0.937 18 V CB 1.323 33.169 31.823 0.039 0.000 1.013 18 V HN 1.824 nan 8.190 nan 0.000 0.430 19 A N 5.155 128.011 122.820 0.061 0.000 2.276 19 A HA 0.919 5.238 4.320 -0.001 0.000 0.300 19 A C 0.253 177.855 177.584 0.029 0.000 1.235 19 A CA -0.360 51.705 52.037 0.047 0.000 0.867 19 A CB 0.235 19.257 19.000 0.036 0.000 1.137 19 A HN 1.336 nan 8.150 nan 0.000 0.527 20 R N 2.411 122.926 120.500 0.025 0.000 2.756 20 R HA 0.458 4.797 4.340 -0.001 0.000 0.273 20 R C -0.186 176.123 176.300 0.016 0.000 1.030 20 R CA -0.603 55.506 56.100 0.015 0.000 0.887 20 R CB 0.302 30.605 30.300 0.006 0.000 1.274 20 R HN 0.523 nan 8.270 nan 0.000 0.461 21 N N 0.071 118.777 118.700 0.010 0.000 1.188 21 N HA -0.237 4.502 4.740 -0.001 0.000 0.128 21 N C -0.447 175.073 175.510 0.017 0.000 0.759 21 N CA 1.543 54.599 53.050 0.010 0.000 0.905 21 N CB -0.687 37.805 38.487 0.009 0.000 1.156 21 N HN 0.743 nan 8.380 nan 0.000 0.553 22 R N 1.827 122.340 120.500 0.020 0.000 2.767 22 R HA 0.527 4.866 4.340 -0.001 0.000 0.377 22 R C 0.587 176.910 176.300 0.040 0.000 1.151 22 R CA 0.442 56.559 56.100 0.029 0.000 1.046 22 R CB 0.501 30.816 30.300 0.024 0.000 1.404 22 R HN 0.617 nan 8.270 nan 0.000 0.580 23 G N -0.053 108.772 108.800 0.042 0.000 2.650 23 G HA2 0.511 4.470 3.960 -0.001 0.000 0.310 23 G HA3 0.511 4.470 3.960 -0.001 0.000 0.310 23 G C -1.467 173.466 174.900 0.055 0.000 1.270 23 G CA -0.601 44.529 45.100 0.051 0.000 0.810 23 G HN 0.050 nan 8.290 nan 0.000 0.493 24 I N 1.296 121.896 120.570 0.051 0.000 2.466 24 I HA 0.380 4.549 4.170 -0.001 0.000 0.289 24 I C -1.305 174.826 176.117 0.024 0.000 1.026 24 I CA -0.689 60.640 61.300 0.048 0.000 1.078 24 I CB 2.310 40.350 38.000 0.067 0.000 1.249 24 I HN 0.240 nan 8.210 nan 0.000 0.429 25 D N 6.328 126.740 120.400 0.021 0.000 2.457 25 D HA 0.444 5.083 4.640 -0.001 0.000 0.240 25 D C -0.410 175.896 176.300 0.010 0.000 1.041 25 D CA -0.440 53.565 54.000 0.008 0.000 0.861 25 D CB 2.783 43.584 40.800 0.002 0.000 1.394 25 D HN 0.115 nan 8.370 nan 0.000 0.473 26 I N 1.410 121.980 120.570 0.000 0.000 2.474 26 I HA 0.082 4.251 4.170 -0.001 0.000 0.287 26 I C 0.433 176.547 176.117 -0.005 0.000 1.048 26 I CA -0.402 60.900 61.300 0.003 0.000 1.383 26 I CB 0.957 38.953 38.000 -0.006 0.000 1.412 26 I HN 0.022 nan 8.210 nan 0.000 0.531 27 V N 7.063 126.975 119.914 -0.004 0.000 2.406 27 V HA 0.196 4.316 4.120 -0.001 0.000 0.272 27 V C 0.454 176.532 176.094 -0.027 0.000 1.043 27 V CA -0.702 61.581 62.300 -0.029 0.000 0.915 27 V CB 1.433 33.220 31.823 -0.059 0.000 0.988 27 V HN 0.583 nan 8.190 nan 0.000 0.466 28 V N 3.500 123.396 119.914 -0.030 0.000 2.953 28 V HA 0.566 4.685 4.120 -0.001 0.000 0.304 28 V C 0.353 176.425 176.094 -0.038 0.000 1.073 28 V CA -0.640 61.643 62.300 -0.027 0.000 1.064 28 V CB 1.322 33.130 31.823 -0.024 0.000 1.047 28 V HN 0.954 nan 8.190 nan 0.000 0.478 29 N N 2.060 120.741 118.700 -0.032 0.000 2.531 29 N HA 0.163 4.902 4.740 -0.001 0.000 0.301 29 N C 0.956 176.444 175.510 -0.037 0.000 1.310 29 N CA 0.118 53.145 53.050 -0.039 0.000 0.949 29 N CB -0.149 38.320 38.487 -0.029 0.000 1.111 29 N HN 0.795 nan 8.380 nan 0.000 0.565 30 E N -0.715 119.462 120.200 -0.037 0.000 2.418 30 E HA -0.080 4.270 4.350 -0.001 0.000 0.197 30 E C 0.809 177.392 176.600 -0.028 0.000 1.026 30 E CA 0.911 57.290 56.400 -0.035 0.000 0.862 30 E CB -0.498 29.180 29.700 -0.035 0.000 0.799 30 E HN 0.486 nan 8.360 nan 0.000 0.518 31 V N -2.721 117.179 119.914 -0.024 0.000 3.214 31 V HA 0.347 4.466 4.120 -0.001 0.000 0.330 31 V C 0.448 176.530 176.094 -0.020 0.000 1.403 31 V CA -0.113 62.174 62.300 -0.022 0.000 1.143 31 V CB -0.213 31.597 31.823 -0.020 0.000 1.098 31 V HN 0.066 nan 8.190 nan 0.000 0.463 32 S N 0.633 116.320 115.700 -0.022 0.000 3.482 32 S HA -0.166 4.303 4.470 -0.001 0.000 0.294 32 S C 0.277 174.866 174.600 -0.018 0.000 1.244 32 S CA 0.944 59.132 58.200 -0.021 0.000 0.911 32 S CB -1.888 61.300 63.200 -0.019 0.000 1.070 32 S HN 0.827 nan 8.310 nan 0.000 0.614 33 N N 0.981 119.672 118.700 -0.015 0.000 2.530 33 N HA 0.291 5.030 4.740 -0.001 0.000 0.277 33 N C 1.069 176.573 175.510 -0.010 0.000 1.168 33 N CA -0.305 52.738 53.050 -0.012 0.000 0.979 33 N CB 0.495 38.977 38.487 -0.008 0.000 1.141 33 N HN 0.359 nan 8.380 nan 0.000 0.459 34 R N -0.273 120.221 120.500 -0.009 0.000 2.297 34 R HA 0.076 4.415 4.340 -0.001 0.000 0.197 34 R C 0.226 176.528 176.300 0.002 0.000 0.943 34 R CA 0.202 56.298 56.100 -0.007 0.000 1.038 34 R CB 0.092 30.385 30.300 -0.012 0.000 0.957 34 R HN 0.617 nan 8.270 nan 0.000 0.484 35 S N -1.079 114.625 115.700 0.007 0.000 2.632 35 S HA 0.517 4.986 4.470 -0.001 0.000 0.289 35 S C -0.471 174.149 174.600 0.034 0.000 1.115 35 S CA -0.795 57.418 58.200 0.022 0.000 0.889 35 S CB 2.685 65.893 63.200 0.013 0.000 1.116 35 S HN -0.135 nan 8.310 nan 0.000 0.486 36 T N 2.949 117.548 114.554 0.075 0.000 2.824 36 T HA 0.588 4.938 4.350 -0.001 0.000 0.282 36 T C -2.986 171.796 174.700 0.135 0.000 0.993 36 T CA -1.306 60.862 62.100 0.114 0.000 0.967 36 T CB 1.538 70.496 68.868 0.150 0.000 0.960 36 T HN 0.421 nan 8.240 nan 0.000 0.441 37 P HA 0.135 nan 4.420 nan 0.000 0.264 37 P C -0.339 176.922 177.300 -0.066 0.000 1.193 37 P CA -0.125 62.968 63.100 -0.011 0.000 0.763 37 P CB 0.269 31.956 31.700 -0.020 0.000 0.810 38 S N 2.216 117.731 115.700 -0.308 0.000 4.183 38 S HA 0.245 4.714 4.470 -0.001 0.000 0.195 38 S C 0.103 174.331 174.600 -0.621 0.000 1.421 38 S CA -0.216 57.484 58.200 -0.832 0.000 0.920 38 S CB -0.686 62.127 63.200 -0.645 0.000 1.525 38 S HN 0.169 nan 8.310 nan 0.000 0.447 39 V N 1.833 121.505 119.914 -0.403 0.000 2.841 39 V HA 0.510 4.629 4.120 -0.001 0.000 0.310 39 V C -0.487 175.563 176.094 -0.074 0.000 1.090 39 V CA -0.731 61.463 62.300 -0.175 0.000 0.930 39 V CB 2.329 34.100 31.823 -0.086 0.000 1.014 39 V HN 0.242 nan 8.190 nan 0.000 0.425 40 V N 3.088 122.951 119.914 -0.085 0.000 2.447 40 V HA 0.797 4.917 4.120 -0.001 0.000 0.292 40 V C 0.472 176.405 176.094 -0.268 0.000 1.021 40 V CA -0.125 62.063 62.300 -0.186 0.000 0.850 40 V CB 1.561 33.276 31.823 -0.179 0.000 1.005 40 V HN 1.011 nan 8.190 nan 0.000 0.426 41 G N 3.107 111.718 108.800 -0.316 0.000 2.489 41 G HA2 0.824 4.784 3.960 -0.001 0.000 0.327 41 G HA3 0.824 4.784 3.960 -0.001 0.000 0.327 41 G C -1.507 173.034 174.900 -0.599 0.000 1.189 41 G CA -0.529 44.472 45.100 -0.165 0.000 0.962 41 G HN 0.380 nan 8.290 nan 0.000 0.486 42 F N -0.713 119.253 119.950 0.026 0.000 2.565 42 F HA 0.704 5.230 4.527 -0.001 0.000 0.313 42 F C 0.659 176.482 175.800 0.039 0.000 1.091 42 F CA -0.469 57.461 58.000 -0.117 0.000 0.915 42 F CB 2.767 41.733 39.000 -0.057 0.000 1.208 42 F HN 0.772 nan 8.300 nan 0.000 0.453 43 G N 1.097 109.955 108.800 0.096 0.000 3.015 43 G HA2 0.543 4.502 3.960 -0.001 0.000 0.281 43 G HA3 0.543 4.502 3.960 -0.001 0.000 0.281 43 G C -2.438 172.592 174.900 0.217 0.000 1.386 43 G CA -1.507 43.694 45.100 0.168 0.000 0.959 43 G HN 0.304 nan 8.290 nan 0.000 0.522 44 P HA 0.023 nan 4.420 nan 0.000 0.223 44 P C 0.708 178.024 177.300 0.026 0.000 1.151 44 P CA 1.198 64.357 63.100 0.099 0.000 0.787 44 P CB 0.413 32.178 31.700 0.109 0.000 0.788 45 K N -1.478 118.943 120.400 0.035 0.000 2.511 45 K HA 0.130 4.449 4.320 -0.001 0.000 0.206 45 K C 0.927 177.536 176.600 0.015 0.000 1.333 45 K CA 0.027 56.314 56.287 -0.000 0.000 0.957 45 K CB 0.487 33.000 32.500 0.021 0.000 1.172 45 K HN 0.232 nan 8.250 nan 0.000 0.547 46 N N 0.425 119.145 118.700 0.033 0.000 2.934 46 N HA 0.248 4.987 4.740 -0.001 0.000 0.253 46 N C -1.324 174.097 175.510 -0.148 0.000 1.466 46 N CA -0.859 52.215 53.050 0.040 0.000 0.858 46 N CB 1.357 39.822 38.487 -0.037 0.000 1.459 46 N HN -0.204 nan 8.380 nan 0.000 0.532 47 R N -0.437 119.922 120.500 -0.235 0.000 2.500 47 R HA 0.341 4.680 4.340 -0.001 0.000 0.275 47 R C -0.947 175.038 176.300 -0.525 0.000 1.051 47 R CA -0.393 55.370 56.100 -0.561 0.000 1.088 47 R CB 0.586 30.544 30.300 -0.569 0.000 1.063 47 R HN 0.506 nan 8.270 nan 0.000 0.511 48 Y N 2.534 122.695 120.300 -0.231 0.000 2.587 48 Y HA 0.330 4.879 4.550 -0.001 0.000 0.328 48 Y C -0.291 175.507 175.900 -0.171 0.000 0.980 48 Y CA -0.695 57.318 58.100 -0.145 0.000 1.272 48 Y CB 0.530 38.936 38.460 -0.090 0.000 1.094 48 Y HN 0.203 nan 8.280 nan 0.000 0.503 49 L N 3.001 124.221 121.223 -0.005 0.000 2.307 49 L HA 0.812 5.151 4.340 -0.001 0.000 0.284 49 L C 0.938 177.853 176.870 0.076 0.000 1.023 49 L CA -0.446 54.397 54.840 0.003 0.000 0.810 49 L CB 1.443 43.470 42.059 -0.053 0.000 1.231 49 L HN 0.846 nan 8.230 nan 0.000 0.423 50 G N 2.266 111.176 108.800 0.183 0.000 2.523 50 G HA2 -0.362 3.597 3.960 -0.001 0.000 0.271 50 G HA3 -0.362 3.597 3.960 -0.001 0.000 0.271 50 G C 0.679 175.634 174.900 0.091 0.000 1.146 50 G CA 0.625 45.851 45.100 0.212 0.000 0.961 50 G HN 0.695 nan 8.290 nan 0.000 0.549 51 E N 0.092 120.326 120.200 0.057 0.000 2.070 51 E HA -0.116 4.233 4.350 -0.001 0.000 0.197 51 E C 2.914 179.515 176.600 0.001 0.000 1.004 51 E CA 3.375 59.787 56.400 0.020 0.000 0.805 51 E CB -0.547 29.157 29.700 0.007 0.000 0.744 51 E HN 0.894 nan 8.360 nan 0.000 0.451 52 T N -3.053 111.506 114.554 0.008 0.000 2.904 52 T HA -0.017 4.333 4.350 -0.001 0.000 0.267 52 T C 2.043 176.726 174.700 -0.028 0.000 1.059 52 T CA 0.983 63.072 62.100 -0.018 0.000 1.137 52 T CB -0.730 68.149 68.868 0.019 0.000 0.879 52 T HN 0.203 nan 8.240 nan 0.000 0.467 53 G N 1.743 110.569 108.800 0.043 0.000 2.440 53 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.218 53 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.218 53 G C 1.651 176.550 174.900 -0.001 0.000 1.154 53 G CA 1.140 46.269 45.100 0.048 0.000 0.767 53 G HN 0.547 nan 8.290 nan 0.000 0.552 54 K N 1.063 121.456 120.400 -0.012 0.000 2.057 54 K HA -0.017 4.302 4.320 -0.001 0.000 0.206 54 K C 2.249 178.830 176.600 -0.033 0.000 1.050 54 K CA 1.248 57.521 56.287 -0.023 0.000 0.935 54 K CB -0.353 32.132 32.500 -0.025 0.000 0.715 54 K HN 0.173 nan 8.250 nan 0.000 0.439 55 N N 0.850 119.521 118.700 -0.049 0.000 2.223 55 N HA -0.125 4.614 4.740 -0.001 0.000 0.185 55 N C 0.732 176.193 175.510 -0.081 0.000 1.016 55 N CA 1.195 54.207 53.050 -0.064 0.000 0.863 55 N CB -0.024 38.417 38.487 -0.077 0.000 0.983 55 N HN 0.283 nan 8.380 nan 0.000 0.429 56 K N 0.745 121.075 120.400 -0.116 0.000 2.410 56 K HA 0.095 4.414 4.320 -0.001 0.000 0.200 56 K C 1.491 178.065 176.600 -0.045 0.000 1.023 56 K CA -0.149 56.059 56.287 -0.133 0.000 1.149 56 K CB 0.347 32.663 32.500 -0.307 0.000 0.859 56 K HN 0.241 nan 8.250 nan 0.000 0.514 57 Q N 0.603 120.393 119.800 -0.017 0.000 2.124 57 Q HA -0.147 4.192 4.340 -0.001 0.000 0.202 57 Q C 1.115 177.140 176.000 0.041 0.000 0.977 57 Q CA 1.702 57.518 55.803 0.022 0.000 0.850 57 Q CB 0.165 28.913 28.738 0.016 0.000 0.901 57 Q HN 0.195 nan 8.270 nan 0.000 0.429 58 T N -0.188 114.383 114.554 0.028 0.000 2.852 58 T HA -0.026 4.324 4.350 -0.001 0.000 0.256 58 T C 2.020 176.745 174.700 0.042 0.000 1.038 58 T CA 1.015 63.140 62.100 0.042 0.000 1.141 58 T CB -0.158 68.729 68.868 0.032 0.000 0.869 58 T HN 0.212 nan 8.240 nan 0.000 0.439 59 S N 1.963 117.675 115.700 0.020 0.000 2.365 59 S HA -0.121 4.348 4.470 -0.001 0.000 0.225 59 S C 1.667 176.298 174.600 0.052 0.000 1.039 59 S CA 1.226 59.439 58.200 0.022 0.000 1.033 59 S CB -0.282 62.911 63.200 -0.012 0.000 0.887 59 S HN 0.382 nan 8.310 nan 0.000 0.447 60 N N 0.318 119.056 118.700 0.063 0.000 2.389 60 N HA 0.299 5.038 4.740 -0.001 0.000 0.260 60 N C 0.818 176.409 175.510 0.136 0.000 1.191 60 N CA -0.150 52.971 53.050 0.119 0.000 0.885 60 N CB -0.355 38.221 38.487 0.148 0.000 1.162 60 N HN 0.329 nan 8.380 nan 0.000 0.512 61 I N 0.136 120.773 120.570 0.111 0.000 2.185 61 I HA -0.294 3.875 4.170 -0.001 0.000 0.246 61 I C 1.376 177.576 176.117 0.139 0.000 1.088 61 I CA 1.283 62.653 61.300 0.116 0.000 1.347 61 I CB 0.287 38.349 38.000 0.102 0.000 1.041 61 I HN 0.084 nan 8.210 nan 0.000 0.415 62 K N 0.606 121.090 120.400 0.140 0.000 2.365 62 K HA 0.000 4.319 4.320 -0.001 0.000 0.199 62 K C 0.714 177.425 176.600 0.186 0.000 1.045 62 K CA 0.700 57.075 56.287 0.148 0.000 0.962 62 K CB -0.420 32.155 32.500 0.125 0.000 0.759 62 K HN 0.473 nan 8.250 nan 0.000 0.469 63 N N 0.573 119.407 118.700 0.223 0.000 2.282 63 N HA 0.037 4.777 4.740 -0.001 0.000 0.240 63 N C -0.668 175.071 175.510 0.381 0.000 1.182 63 N CA 0.062 53.299 53.050 0.311 0.000 0.874 63 N CB 1.272 39.961 38.487 0.336 0.000 1.126 63 N HN -0.113 nan 8.380 nan 0.000 0.516 64 T N 0.948 115.667 114.554 0.275 0.000 2.770 64 T HA 0.399 4.748 4.350 -0.001 0.000 0.283 64 T C 0.082 174.911 174.700 0.215 0.000 0.988 64 T CA -0.371 61.856 62.100 0.212 0.000 0.957 64 T CB 2.286 71.235 68.868 0.136 0.000 0.930 64 T HN -0.258 nan 8.240 nan 0.000 0.443 65 V N 2.987 123.032 119.914 0.218 0.000 2.370 65 V HA 0.813 4.932 4.120 -0.001 0.000 0.283 65 V C 0.373 176.502 176.094 0.059 0.000 1.023 65 V CA -0.586 61.853 62.300 0.233 0.000 0.857 65 V CB 0.813 32.848 31.823 0.352 0.000 0.985 65 V HN 1.088 nan 8.190 nan 0.000 0.443 66 A N 3.608 126.377 122.820 -0.086 0.000 2.793 66 A HA 0.665 4.985 4.320 -0.001 0.000 0.236 66 A C 0.569 177.976 177.584 -0.295 0.000 1.242 66 A CA -0.632 51.283 52.037 -0.203 0.000 0.885 66 A CB 0.431 19.297 19.000 -0.223 0.000 1.436 66 A HN 0.841 nan 8.150 nan 0.000 0.483 67 N N -0.634 117.905 118.700 -0.267 0.000 2.716 67 N HA -0.167 4.572 4.740 -0.001 0.000 0.250 67 N C 0.761 176.319 175.510 0.081 0.000 1.033 67 N CA 1.007 53.976 53.050 -0.134 0.000 0.727 67 N CB -1.373 36.943 38.487 -0.284 0.000 0.950 67 N HN 0.556 nan 8.380 nan 0.000 0.541 68 L N 0.327 121.567 121.223 0.030 0.000 2.083 68 L HA -0.186 4.153 4.340 -0.001 0.000 0.209 68 L C 2.461 179.423 176.870 0.152 0.000 1.083 68 L CA 1.910 56.811 54.840 0.101 0.000 0.752 68 L CB -0.389 41.665 42.059 -0.009 0.000 0.899 68 L HN 0.403 nan 8.230 nan 0.000 0.433 69 K N -0.509 119.971 120.400 0.134 0.000 2.366 69 K HA -0.047 4.273 4.320 -0.001 0.000 0.198 69 K C 1.850 178.649 176.600 0.332 0.000 1.044 69 K CA 0.446 56.865 56.287 0.219 0.000 0.973 69 K CB 0.037 32.610 32.500 0.122 0.000 0.767 69 K HN 0.188 nan 8.250 nan 0.000 0.475 70 R N 1.263 121.940 120.500 0.295 0.000 2.200 70 R HA 0.086 4.425 4.340 -0.001 0.000 0.208 70 R C 2.216 178.653 176.300 0.229 0.000 1.033 70 R CA 0.869 57.162 56.100 0.321 0.000 1.000 70 R CB -0.338 30.128 30.300 0.275 0.000 0.906 70 R HN 0.506 nan 8.270 nan 0.000 0.462 71 I N -1.975 118.728 120.570 0.222 0.000 3.860 71 I HA 0.193 4.362 4.170 -0.001 0.000 0.319 71 I C 0.561 176.741 176.117 0.105 0.000 1.279 71 I CA -0.250 61.130 61.300 0.132 0.000 1.220 71 I CB 0.151 38.214 38.000 0.106 0.000 1.027 71 I HN -0.238 nan 8.210 nan 0.000 0.428 72 I N 4.136 124.776 120.570 0.117 0.000 2.742 72 I HA -0.010 4.159 4.170 -0.001 0.000 0.287 72 I C 1.542 177.640 176.117 -0.033 0.000 1.186 72 I CA 1.588 62.923 61.300 0.058 0.000 1.417 72 I CB -0.219 37.832 38.000 0.085 0.000 1.377 72 I HN 0.652 nan 8.210 nan 0.000 0.556 73 G N 5.640 114.428 108.800 -0.019 0.000 2.166 73 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.260 73 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.260 73 G C 0.113 175.009 174.900 -0.007 0.000 0.986 73 G CA -0.074 44.995 45.100 -0.052 0.000 0.683 73 G HN 0.529 nan 8.290 nan 0.000 0.527 74 L N 1.609 122.854 121.223 0.038 0.000 2.342 74 L HA 0.574 4.913 4.340 -0.001 0.000 0.285 74 L C 0.164 177.131 176.870 0.162 0.000 1.095 74 L CA -0.848 54.035 54.840 0.071 0.000 0.843 74 L CB 0.435 42.525 42.059 0.051 0.000 1.201 74 L HN 0.144 nan 8.230 nan 0.000 0.445 75 D N 3.032 123.548 120.400 0.193 0.000 2.487 75 D HA -0.096 4.544 4.640 -0.001 0.000 0.243 75 D C 0.677 177.132 176.300 0.258 0.000 1.154 75 D CA 0.567 54.700 54.000 0.221 0.000 0.876 75 D CB 0.501 41.435 40.800 0.224 0.000 1.161 75 D HN 0.527 nan 8.370 nan 0.000 0.478 76 Y N 2.463 122.770 120.300 0.011 0.000 2.298 76 Y HA -0.220 4.330 4.550 -0.001 0.000 0.287 76 Y C 1.446 176.989 175.900 -0.595 0.000 1.164 76 Y CA 1.611 59.537 58.100 -0.291 0.000 1.229 76 Y CB 0.154 38.375 38.460 -0.398 0.000 0.977 76 Y HN 0.606 nan 8.280 nan 0.000 0.538 77 H N -1.376 117.671 119.070 -0.039 0.000 2.505 77 H HA 0.064 4.619 4.556 -0.001 0.000 0.289 77 H C 0.145 175.477 175.328 0.006 0.000 1.052 77 H CA -0.073 55.918 56.048 -0.095 0.000 1.156 77 H CB -0.537 29.199 29.762 -0.044 0.000 1.507 77 H HN 0.249 nan 8.280 nan 0.000 0.548 78 H N 3.516 122.643 119.070 0.094 0.000 3.064 78 H HA -0.037 4.519 4.556 -0.001 0.000 0.329 78 H C -1.319 174.071 175.328 0.103 0.000 1.020 78 H CA -0.842 55.274 56.048 0.113 0.000 1.402 78 H CB 1.477 31.327 29.762 0.146 0.000 1.379 78 H HN 0.157 nan 8.280 nan 0.000 0.594 79 P HA -0.091 nan 4.420 nan 0.000 0.223 79 P C 0.328 177.728 177.300 0.167 0.000 1.151 79 P CA 0.903 64.016 63.100 0.021 0.000 0.787 79 P CB 0.415 32.062 31.700 -0.089 0.000 0.788 80 D N -1.410 119.256 120.400 0.443 0.000 2.328 80 D HA 0.025 4.664 4.640 -0.001 0.000 0.226 80 D C 1.364 177.772 176.300 0.179 0.000 1.066 80 D CA -0.175 53.983 54.000 0.263 0.000 0.861 80 D CB -0.919 40.048 40.800 0.277 0.000 0.912 80 D HN 0.113 nan 8.370 nan 0.000 0.521 81 F N 2.068 122.074 119.950 0.092 0.000 2.091 81 F HA -0.233 4.293 4.527 -0.001 0.000 0.299 81 F C 1.965 177.730 175.800 -0.059 0.000 1.103 81 F CA 1.668 59.649 58.000 -0.033 0.000 1.228 81 F CB 0.258 39.177 39.000 -0.135 0.000 0.984 81 F HN -0.073 nan 8.300 nan 0.000 0.477 82 E N -0.411 119.864 120.200 0.124 0.000 2.150 82 E HA -0.238 4.112 4.350 -0.001 0.000 0.193 82 E C 2.143 178.697 176.600 -0.077 0.000 0.985 82 E CA 1.150 57.562 56.400 0.021 0.000 0.814 82 E CB -0.328 29.399 29.700 0.046 0.000 0.752 82 E HN 0.644 nan 8.360 nan 0.000 0.466 83 Q N 0.427 120.180 119.800 -0.079 0.000 2.135 83 Q HA -0.180 4.159 4.340 -0.001 0.000 0.204 83 Q C 1.960 177.979 176.000 0.031 0.000 0.981 83 Q CA 0.996 56.745 55.803 -0.089 0.000 0.856 83 Q CB 0.058 28.657 28.738 -0.233 0.000 0.902 83 Q HN 0.256 nan 8.270 nan 0.000 0.425 84 E N 0.201 120.396 120.200 -0.007 0.000 2.051 84 E HA -0.098 4.252 4.350 -0.001 0.000 0.189 84 E C 2.158 178.825 176.600 0.113 0.000 0.979 84 E CA 1.377 57.827 56.400 0.084 0.000 0.803 84 E CB -0.258 29.399 29.700 -0.071 0.000 0.761 84 E HN 0.315 nan 8.360 nan 0.000 0.451 85 S N 1.651 117.234 115.700 -0.195 0.000 2.453 85 S HA -0.112 4.358 4.470 -0.001 0.000 0.231 85 S C 1.822 176.446 174.600 0.039 0.000 1.005 85 S CA 0.968 59.085 58.200 -0.139 0.000 0.949 85 S CB -0.358 62.606 63.200 -0.394 0.000 0.774 85 S HN 0.320 nan 8.310 nan 0.000 0.510 86 K N 0.485 120.831 120.400 -0.089 0.000 2.442 86 K HA -0.045 4.274 4.320 -0.001 0.000 0.198 86 K C 1.088 177.538 176.600 -0.251 0.000 1.042 86 K CA 1.188 57.358 56.287 -0.196 0.000 0.958 86 K CB -0.471 31.849 32.500 -0.300 0.000 0.766 86 K HN 0.506 nan 8.250 nan 0.000 0.474 87 H N -0.505 118.614 119.070 0.082 0.000 2.551 87 H HA 0.188 4.744 4.556 -0.001 0.000 0.271 87 H C -0.521 174.756 175.328 -0.086 0.000 0.984 87 H CA -0.175 55.880 56.048 0.011 0.000 1.164 87 H CB 0.003 29.746 29.762 -0.031 0.000 1.437 87 H HN 0.069 nan 8.280 nan 0.000 0.550 88 F N 0.057 120.051 119.950 0.074 0.000 2.422 88 F HA 0.177 4.704 4.527 -0.001 0.000 0.333 88 F C 1.535 177.367 175.800 0.054 0.000 1.095 88 F CA -0.152 57.888 58.000 0.067 0.000 1.038 88 F CB 2.105 41.128 39.000 0.038 0.000 1.156 88 F HN -0.208 nan 8.300 nan 0.000 0.483 89 T N -0.015 114.678 114.554 0.231 0.000 2.971 89 T HA 0.076 4.425 4.350 -0.001 0.000 0.252 89 T C 0.454 175.268 174.700 0.190 0.000 1.022 89 T CA 0.317 62.517 62.100 0.166 0.000 0.980 89 T CB -0.026 68.917 68.868 0.124 0.000 1.044 89 T HN 0.559 nan 8.240 nan 0.000 0.501 90 S N 0.626 116.485 115.700 0.265 0.000 2.722 90 S HA 0.575 5.044 4.470 -0.001 0.000 0.292 90 S C -0.342 174.377 174.600 0.199 0.000 1.135 90 S CA -0.880 57.459 58.200 0.230 0.000 1.003 90 S CB 1.678 65.037 63.200 0.266 0.000 1.067 90 S HN 0.272 nan 8.310 nan 0.000 0.546 91 K N 0.964 121.448 120.400 0.139 0.000 2.379 91 K HA 0.297 4.617 4.320 -0.001 0.000 0.284 91 K C -1.016 175.634 176.600 0.082 0.000 1.044 91 K CA -0.281 56.067 56.287 0.102 0.000 0.974 91 K CB -0.012 32.535 32.500 0.078 0.000 0.962 91 K HN 0.602 nan 8.250 nan 0.000 0.474 92 L N 5.597 126.871 121.223 0.084 0.000 2.307 92 L HA 0.430 4.769 4.340 -0.001 0.000 0.282 92 L C -0.253 176.745 176.870 0.213 0.000 1.051 92 L CA -1.003 53.901 54.840 0.108 0.000 0.804 92 L CB 1.461 43.566 42.059 0.077 0.000 1.197 92 L HN 0.475 nan 8.230 nan 0.000 0.431 93 V N -0.422 119.551 119.914 0.098 0.000 3.001 93 V HA 0.524 4.643 4.120 -0.001 0.000 0.314 93 V C -0.520 175.309 176.094 -0.442 0.000 1.099 93 V CA -0.969 61.248 62.300 -0.138 0.000 0.989 93 V CB 1.965 33.713 31.823 -0.124 0.000 1.040 93 V HN 0.788 nan 8.190 nan 0.000 0.434 94 E N 1.430 121.076 120.200 -0.923 0.000 2.313 94 E HA 0.535 4.885 4.350 -0.001 0.000 0.276 94 E C -1.063 175.322 176.600 -0.359 0.000 1.031 94 E CA -0.536 55.322 56.400 -0.903 0.000 0.857 94 E CB 1.219 30.286 29.700 -1.055 0.000 1.040 94 E HN 0.672 nan 8.360 nan 0.000 0.408 95 L N 3.284 124.388 121.223 -0.198 0.000 2.387 95 L HA 0.207 4.546 4.340 -0.001 0.000 0.266 95 L C 0.881 177.708 176.870 -0.072 0.000 1.059 95 L CA -0.872 53.909 54.840 -0.098 0.000 0.801 95 L CB 0.776 42.816 42.059 -0.032 0.000 1.223 95 L HN 0.574 nan 8.230 nan 0.000 0.456 96 D N 0.357 120.729 120.400 -0.047 0.000 2.271 96 D HA -0.181 4.459 4.640 -0.001 0.000 0.207 96 D C 1.009 177.303 176.300 -0.010 0.000 0.983 96 D CA 1.259 55.241 54.000 -0.030 0.000 0.878 96 D CB -0.088 40.699 40.800 -0.022 0.000 0.920 96 D HN 0.595 nan 8.370 nan 0.000 0.479 97 D N -0.825 119.577 120.400 0.004 0.000 2.368 97 D HA 0.001 4.641 4.640 -0.001 0.000 0.218 97 D C 0.529 176.854 176.300 0.040 0.000 1.112 97 D CA -0.031 53.984 54.000 0.025 0.000 0.834 97 D CB 0.289 41.111 40.800 0.038 0.000 0.953 97 D HN -0.125 nan 8.370 nan 0.000 0.505 98 K N -1.070 119.347 120.400 0.028 0.000 3.583 98 K HA -0.121 4.198 4.320 -0.001 0.000 0.287 98 K C 0.377 177.030 176.600 0.090 0.000 1.269 98 K CA 0.842 57.165 56.287 0.059 0.000 0.998 98 K CB -1.289 31.263 32.500 0.088 0.000 1.284 98 K HN 0.280 nan 8.250 nan 0.000 0.472 99 K N 1.117 121.563 120.400 0.077 0.000 2.386 99 K HA 0.294 4.613 4.320 -0.001 0.000 0.249 99 K C 0.586 177.260 176.600 0.123 0.000 1.055 99 K CA 0.105 56.458 56.287 0.110 0.000 0.930 99 K CB 0.221 32.774 32.500 0.089 0.000 1.230 99 K HN 0.016 nan 8.250 nan 0.000 0.507 100 T N 0.114 114.768 114.554 0.167 0.000 2.797 100 T HA 0.586 4.935 4.350 -0.001 0.000 0.279 100 T C 0.134 174.902 174.700 0.114 0.000 0.991 100 T CA -0.786 61.443 62.100 0.214 0.000 0.979 100 T CB 1.682 70.743 68.868 0.321 0.000 0.943 100 T HN 0.599 nan 8.240 nan 0.000 0.444 101 G N 0.709 109.554 108.800 0.076 0.000 3.042 101 G HA2 0.780 4.740 3.960 -0.001 0.000 0.278 101 G HA3 0.780 4.740 3.960 -0.001 0.000 0.278 101 G C -1.559 173.377 174.900 0.060 0.000 1.371 101 G CA -0.964 44.179 45.100 0.071 0.000 1.009 101 G HN 0.934 nan 8.290 nan 0.000 0.523 102 A N -0.379 122.495 122.820 0.090 0.000 2.355 102 A HA 0.743 5.062 4.320 -0.001 0.000 0.317 102 A C -0.526 177.084 177.584 0.043 0.000 1.094 102 A CA -0.540 51.550 52.037 0.090 0.000 0.764 102 A CB 1.587 20.693 19.000 0.177 0.000 1.230 102 A HN 0.574 nan 8.150 nan 0.000 0.448 103 E N 1.474 121.687 120.200 0.022 0.000 2.156 103 E HA 0.556 4.905 4.350 -0.001 0.000 0.279 103 E C -0.843 175.761 176.600 0.007 0.000 0.965 103 E CA -0.481 55.906 56.400 -0.022 0.000 0.789 103 E CB 1.249 30.935 29.700 -0.023 0.000 1.098 103 E HN 0.750 nan 8.360 nan 0.000 0.397 104 V N 1.362 121.255 119.914 -0.035 0.000 3.159 104 V HA 0.618 4.737 4.120 -0.001 0.000 0.308 104 V C -0.811 175.320 176.094 0.060 0.000 1.190 104 V CA -1.287 61.012 62.300 -0.002 0.000 1.037 104 V CB 1.817 33.535 31.823 -0.175 0.000 1.060 104 V HN 0.695 nan 8.190 nan 0.000 0.437 105 R N 1.856 122.438 120.500 0.137 0.000 2.229 105 R HA 0.676 5.016 4.340 -0.001 0.000 0.328 105 R C -1.670 174.823 176.300 0.321 0.000 1.009 105 R CA -0.352 55.867 56.100 0.198 0.000 0.864 105 R CB 0.957 31.354 30.300 0.162 0.000 1.085 105 R HN 0.834 nan 8.270 nan 0.000 0.453 106 F N 3.690 123.729 119.950 0.148 0.000 2.574 106 F HA 0.442 4.968 4.527 -0.001 0.000 0.313 106 F C -0.319 175.546 175.800 0.108 0.000 1.130 106 F CA -0.547 57.516 58.000 0.105 0.000 0.936 106 F CB 1.807 40.776 39.000 -0.051 0.000 1.219 106 F HN 0.804 nan 8.300 nan 0.000 0.445 107 A N 3.625 126.240 122.820 -0.342 0.000 2.783 107 A HA 0.168 4.488 4.320 -0.001 0.000 0.292 107 A C 1.689 179.209 177.584 -0.107 0.000 1.495 107 A CA 1.680 53.487 52.037 -0.383 0.000 0.787 107 A CB -2.205 16.333 19.000 -0.770 0.000 1.017 107 A HN 2.802 nan 8.150 nan 0.000 0.516 108 G N -2.389 106.415 108.800 0.008 0.000 2.159 108 G HA2 -0.186 3.773 3.960 -0.001 0.000 0.256 108 G HA3 -0.186 3.773 3.960 -0.001 0.000 0.256 108 G C -0.191 174.740 174.900 0.051 0.000 0.977 108 G CA 1.043 46.166 45.100 0.039 0.000 0.652 108 G HN 1.408 nan 8.290 nan 0.000 0.531 109 E N -0.915 119.344 120.200 0.098 0.000 2.433 109 E HA 0.487 4.836 4.350 -0.001 0.000 0.273 109 E C -0.541 176.123 176.600 0.106 0.000 0.950 109 E CA -1.107 55.327 56.400 0.056 0.000 0.796 109 E CB 1.687 31.369 29.700 -0.030 0.000 1.330 109 E HN 0.140 nan 8.360 nan 0.000 0.455 110 K N 1.532 121.905 120.400 -0.046 0.000 2.258 110 K HA 0.252 4.571 4.320 -0.001 0.000 0.284 110 K C -1.319 175.134 176.600 -0.244 0.000 1.051 110 K CA -0.060 56.191 56.287 -0.061 0.000 0.923 110 K CB 0.395 32.848 32.500 -0.078 0.000 1.046 110 K HN 0.457 nan 8.250 nan 0.000 0.474 111 H N 1.033 119.995 119.070 -0.179 0.000 2.717 111 H HA 0.367 4.922 4.556 -0.001 0.000 0.366 111 H C -1.226 173.789 175.328 -0.522 0.000 1.132 111 H CA -0.682 55.127 56.048 -0.400 0.000 1.180 111 H CB 2.000 31.460 29.762 -0.504 0.000 1.678 111 H HN 0.209 nan 8.280 nan 0.000 0.537 112 V N 4.147 123.777 119.914 -0.472 0.000 2.417 112 V HA 0.350 4.470 4.120 -0.001 0.000 0.291 112 V C -0.905 174.888 176.094 -0.501 0.000 1.024 112 V CA -0.596 61.486 62.300 -0.365 0.000 0.861 112 V CB 0.483 32.189 31.823 -0.196 0.000 0.985 112 V HN 0.521 nan 8.190 nan 0.000 0.436 113 F N 2.320 122.270 119.950 -0.001 0.000 2.495 113 F HA 0.577 5.104 4.527 -0.001 0.000 0.327 113 F C 0.758 176.585 175.800 0.045 0.000 1.103 113 F CA -0.634 57.384 58.000 0.030 0.000 0.949 113 F CB 2.108 41.125 39.000 0.028 0.000 1.142 113 F HN 0.535 nan 8.300 nan 0.000 0.457 114 S N 1.564 117.411 115.700 0.245 0.000 2.600 114 S HA 0.473 4.942 4.470 -0.001 0.000 0.265 114 S C 1.195 175.902 174.600 0.178 0.000 1.325 114 S CA -0.191 58.109 58.200 0.166 0.000 1.002 114 S CB 1.299 64.577 63.200 0.130 0.000 0.921 114 S HN 0.857 nan 8.310 nan 0.000 0.554 115 A N 2.017 124.923 122.820 0.144 0.000 1.908 115 A HA -0.041 4.278 4.320 -0.001 0.000 0.218 115 A C 2.287 179.955 177.584 0.140 0.000 1.181 115 A CA 2.251 54.375 52.037 0.145 0.000 0.627 115 A CB -1.953 17.122 19.000 0.124 0.000 0.818 115 A HN 0.918 nan 8.150 nan 0.000 0.445 116 T N -0.106 114.524 114.554 0.127 0.000 2.746 116 T HA -0.181 4.168 4.350 -0.001 0.000 0.267 116 T C 2.082 176.853 174.700 0.119 0.000 1.039 116 T CA 1.722 63.893 62.100 0.119 0.000 1.142 116 T CB -0.264 68.670 68.868 0.111 0.000 0.866 116 T HN 0.626 nan 8.240 nan 0.000 0.444 117 Q N 0.339 120.218 119.800 0.132 0.000 2.030 117 Q HA -0.043 4.296 4.340 -0.001 0.000 0.204 117 Q C 2.446 178.491 176.000 0.074 0.000 0.986 117 Q CA 1.265 57.138 55.803 0.117 0.000 0.843 117 Q CB -0.441 28.411 28.738 0.189 0.000 0.904 117 Q HN 0.454 nan 8.270 nan 0.000 0.420 118 L N 0.180 121.469 121.223 0.110 0.000 2.012 118 L HA -0.242 4.097 4.340 -0.001 0.000 0.210 118 L C 2.520 179.453 176.870 0.105 0.000 1.073 118 L CA 1.227 56.127 54.840 0.100 0.000 0.748 118 L CB -0.617 41.547 42.059 0.175 0.000 0.891 118 L HN 0.230 nan 8.230 nan 0.000 0.431 119 A N -0.224 122.673 122.820 0.128 0.000 1.933 119 A HA -0.167 4.152 4.320 -0.001 0.000 0.218 119 A C 2.520 180.193 177.584 0.147 0.000 1.175 119 A CA 1.719 53.847 52.037 0.153 0.000 0.628 119 A CB -0.748 18.339 19.000 0.144 0.000 0.814 119 A HN 0.412 nan 8.150 nan 0.000 0.444 120 A N -0.409 122.471 122.820 0.100 0.000 1.933 120 A HA -0.118 4.202 4.320 -0.001 0.000 0.218 120 A C 2.239 179.845 177.584 0.037 0.000 1.175 120 A CA 1.751 53.829 52.037 0.069 0.000 0.628 120 A CB -0.571 18.464 19.000 0.059 0.000 0.814 120 A HN 0.551 nan 8.150 nan 0.000 0.444 121 M N -2.074 117.535 119.600 0.014 0.000 2.080 121 M HA -0.137 4.343 4.480 -0.001 0.000 0.260 121 M C 2.176 178.476 176.300 0.000 0.000 1.068 121 M CA 1.975 57.252 55.300 -0.040 0.000 1.109 121 M CB -0.552 31.974 32.600 -0.124 0.000 1.342 121 M HN 0.501 nan 8.290 nan 0.000 0.405 122 F N 1.338 121.251 119.950 -0.062 0.000 2.102 122 F HA -0.147 4.379 4.527 -0.001 0.000 0.298 122 F C 2.040 177.837 175.800 -0.006 0.000 1.105 122 F CA 1.440 59.415 58.000 -0.042 0.000 1.239 122 F CB -0.288 38.696 39.000 -0.026 0.000 0.991 122 F HN -0.034 nan 8.300 nan 0.000 0.474 123 I N -0.051 120.499 120.570 -0.034 0.000 2.226 123 I HA -0.297 3.872 4.170 -0.001 0.000 0.245 123 I C 2.173 178.237 176.117 -0.089 0.000 1.100 123 I CA 1.667 62.931 61.300 -0.061 0.000 1.374 123 I CB -0.578 37.453 38.000 0.052 0.000 1.057 123 I HN 0.102 nan 8.210 nan 0.000 0.413 124 D N 0.940 121.297 120.400 -0.073 0.000 2.144 124 D HA -0.209 4.430 4.640 -0.001 0.000 0.199 124 D C 2.038 178.260 176.300 -0.130 0.000 0.984 124 D CA 1.186 55.142 54.000 -0.072 0.000 0.834 124 D CB 0.046 40.816 40.800 -0.051 0.000 0.955 124 D HN 0.055 nan 8.370 nan 0.000 0.465 125 K N 0.552 120.832 120.400 -0.199 0.000 2.009 125 K HA -0.129 4.191 4.320 -0.001 0.000 0.210 125 K C 2.090 178.527 176.600 -0.272 0.000 1.049 125 K CA 2.010 58.156 56.287 -0.235 0.000 0.929 125 K CB -0.764 31.572 32.500 -0.274 0.000 0.714 125 K HN 0.152 nan 8.250 nan 0.000 0.440 126 V N -0.624 119.057 119.914 -0.389 0.000 2.626 126 V HA -0.106 4.013 4.120 -0.001 0.000 0.252 126 V C 2.331 178.288 176.094 -0.229 0.000 1.067 126 V CA 1.988 64.112 62.300 -0.294 0.000 1.081 126 V CB -0.710 30.932 31.823 -0.301 0.000 0.686 126 V HN 0.375 nan 8.190 nan 0.000 0.468 127 K N 0.981 121.280 120.400 -0.168 0.000 2.026 127 K HA -0.294 4.025 4.320 -0.001 0.000 0.208 127 K C 2.018 178.480 176.600 -0.229 0.000 1.048 127 K CA 2.225 58.385 56.287 -0.211 0.000 0.929 127 K CB -0.459 32.011 32.500 -0.051 0.000 0.713 127 K HN 0.572 nan 8.250 nan 0.000 0.439 128 D N -0.265 120.035 120.400 -0.166 0.000 2.123 128 D HA -0.150 4.490 4.640 -0.001 0.000 0.196 128 D C 1.473 177.679 176.300 -0.156 0.000 0.992 128 D CA 1.934 55.850 54.000 -0.140 0.000 0.833 128 D CB -0.105 40.629 40.800 -0.110 0.000 0.954 128 D HN 0.227 nan 8.370 nan 0.000 0.455 129 T N -0.609 113.841 114.554 -0.174 0.000 2.665 129 T HA -0.159 4.190 4.350 -0.001 0.000 0.268 129 T C 2.084 176.668 174.700 -0.193 0.000 1.035 129 T CA 1.515 63.518 62.100 -0.163 0.000 1.151 129 T CB -0.508 68.266 68.868 -0.158 0.000 0.862 129 T HN 0.012 nan 8.240 nan 0.000 0.438 130 V N 1.577 121.313 119.914 -0.297 0.000 2.295 130 V HA -0.194 3.926 4.120 -0.001 0.000 0.246 130 V C 2.476 178.422 176.094 -0.246 0.000 1.049 130 V CA 1.594 63.682 62.300 -0.352 0.000 1.024 130 V CB -0.521 30.873 31.823 -0.715 0.000 0.648 130 V HN 0.490 nan 8.190 nan 0.000 0.447 131 K N -0.282 119.986 120.400 -0.221 0.000 2.097 131 K HA -0.206 4.113 4.320 -0.001 0.000 0.206 131 K C 2.214 178.748 176.600 -0.110 0.000 1.049 131 K CA 1.481 57.681 56.287 -0.146 0.000 0.933 131 K CB -0.226 32.202 32.500 -0.121 0.000 0.717 131 K HN 0.540 nan 8.250 nan 0.000 0.442 132 Q N 0.393 120.128 119.800 -0.109 0.000 2.297 132 Q HA -0.156 4.183 4.340 -0.001 0.000 0.204 132 Q C 1.415 177.369 176.000 -0.076 0.000 0.962 132 Q CA 1.244 56.997 55.803 -0.083 0.000 0.879 132 Q CB 0.043 28.735 28.738 -0.077 0.000 0.947 132 Q HN 0.339 nan 8.270 nan 0.000 0.462 133 D N -0.154 120.192 120.400 -0.091 0.000 2.162 133 D HA -0.100 4.539 4.640 -0.001 0.000 0.205 133 D C 1.839 178.098 176.300 -0.068 0.000 0.964 133 D CA 1.663 55.617 54.000 -0.077 0.000 0.847 133 D CB 0.297 41.046 40.800 -0.086 0.000 0.988 133 D HN 0.234 nan 8.370 nan 0.000 0.480 134 T N -3.019 111.487 114.554 -0.081 0.000 3.057 134 T HA 0.096 4.446 4.350 -0.001 0.000 0.254 134 T C 0.966 175.634 174.700 -0.053 0.000 1.094 134 T CA -0.021 62.039 62.100 -0.065 0.000 1.088 134 T CB 0.160 68.983 68.868 -0.075 0.000 0.934 134 T HN -0.045 nan 8.240 nan 0.000 0.497 135 K N 0.286 120.651 120.400 -0.057 0.000 3.349 135 K HA -0.132 4.187 4.320 -0.001 0.000 0.310 135 K C 0.384 176.959 176.600 -0.042 0.000 1.267 135 K CA 0.970 57.229 56.287 -0.046 0.000 0.920 135 K CB -2.543 29.936 32.500 -0.036 0.000 1.240 135 K HN 0.787 nan 8.250 nan 0.000 0.453 136 A N 0.697 123.488 122.820 -0.048 0.000 2.282 136 A HA 0.636 4.955 4.320 -0.001 0.000 0.324 136 A C 0.084 177.640 177.584 -0.046 0.000 1.119 136 A CA -0.434 51.579 52.037 -0.040 0.000 0.880 136 A CB 0.860 19.839 19.000 -0.035 0.000 1.294 136 A HN 0.167 nan 8.150 nan 0.000 0.493 137 N N 0.018 118.699 118.700 -0.033 0.000 2.498 137 N HA 0.418 5.157 4.740 -0.001 0.000 0.287 137 N C -1.039 174.455 175.510 -0.027 0.000 1.097 137 N CA -0.314 52.717 53.050 -0.032 0.000 0.973 137 N CB 0.506 38.982 38.487 -0.018 0.000 1.153 137 N HN 0.364 nan 8.380 nan 0.000 0.472 138 I N 2.194 122.743 120.570 -0.034 0.000 2.354 138 I HA 0.215 4.384 4.170 -0.001 0.000 0.292 138 I C 1.118 177.253 176.117 0.031 0.000 0.989 138 I CA -0.176 61.116 61.300 -0.014 0.000 1.188 138 I CB 0.966 38.911 38.000 -0.092 0.000 1.342 138 I HN 0.612 nan 8.210 nan 0.000 0.457 139 T N 3.551 118.139 114.554 0.057 0.000 2.969 139 T HA 0.204 4.553 4.350 -0.001 0.000 0.258 139 T C 0.197 174.937 174.700 0.067 0.000 0.962 139 T CA 0.279 62.412 62.100 0.054 0.000 0.903 139 T CB 0.269 69.159 68.868 0.037 0.000 1.177 139 T HN 0.540 nan 8.240 nan 0.000 0.511 140 D N 1.251 121.704 120.400 0.088 0.000 2.575 140 D HA 0.572 5.211 4.640 -0.001 0.000 0.236 140 D C -0.882 175.460 176.300 0.069 0.000 1.075 140 D CA -0.286 53.747 54.000 0.056 0.000 0.860 140 D CB 2.827 43.647 40.800 0.033 0.000 1.475 140 D HN 0.206 nan 8.370 nan 0.000 0.474 141 V N -1.262 118.628 119.914 -0.040 0.000 2.925 141 V HA 0.473 4.593 4.120 -0.001 0.000 0.311 141 V C -0.446 175.534 176.094 -0.191 0.000 1.104 141 V CA -0.972 61.209 62.300 -0.199 0.000 0.954 141 V CB 1.765 33.388 31.823 -0.334 0.000 1.022 141 V HN 0.740 nan 8.190 nan 0.000 0.427 142 C N 5.213 124.375 119.300 -0.230 0.000 2.281 142 C HA 0.756 5.215 4.460 -0.001 0.000 0.325 142 C C -0.121 174.738 174.990 -0.219 0.000 1.282 142 C CA -0.319 58.598 59.018 -0.169 0.000 1.640 142 C CB -1.169 26.516 27.740 -0.092 0.000 2.288 142 C HN 0.807 nan 8.230 nan 0.000 0.507 143 I N 6.050 126.516 120.570 -0.173 0.000 2.354 143 I HA 0.465 4.635 4.170 -0.001 0.000 0.292 143 I C 0.649 176.680 176.117 -0.143 0.000 0.989 143 I CA -0.130 61.067 61.300 -0.172 0.000 1.188 143 I CB 1.486 39.402 38.000 -0.140 0.000 1.342 143 I HN 0.778 nan 8.210 nan 0.000 0.457 144 A N 6.996 129.723 122.820 -0.153 0.000 2.289 144 A HA 0.709 5.028 4.320 -0.001 0.000 0.298 144 A C -0.223 177.218 177.584 -0.238 0.000 1.208 144 A CA -0.415 51.525 52.037 -0.162 0.000 0.845 144 A CB 0.676 19.593 19.000 -0.140 0.000 1.125 144 A HN 0.616 nan 8.150 nan 0.000 0.517 145 V N -0.092 119.636 119.914 -0.311 0.000 3.001 145 V HA 0.806 4.926 4.120 -0.001 0.000 0.314 145 V C -2.998 172.763 176.094 -0.555 0.000 1.099 145 V CA -2.880 59.070 62.300 -0.584 0.000 0.989 145 V CB 1.724 33.075 31.823 -0.786 0.000 1.040 145 V HN 0.644 nan 8.190 nan 0.000 0.434 146 P HA 0.329 nan 4.420 nan 0.000 0.271 146 P C -2.431 174.542 177.300 -0.544 0.000 1.218 146 P CA -1.679 61.021 63.100 -0.667 0.000 0.780 146 P CB 0.101 31.155 31.700 -1.076 0.000 0.901 147 P HA -0.101 nan 4.420 nan 0.000 0.222 147 P C 1.151 178.485 177.300 0.056 0.000 1.147 147 P CA 1.259 64.331 63.100 -0.047 0.000 0.790 147 P CB -0.457 31.268 31.700 0.042 0.000 0.780 148 W N -2.736 118.635 121.300 0.119 0.000 2.937 148 W HA 0.069 4.728 4.660 -0.001 0.000 0.245 148 W C -0.283 176.364 176.519 0.212 0.000 1.306 148 W CA -0.543 56.887 57.345 0.141 0.000 1.470 148 W CB -1.572 27.943 29.460 0.092 0.000 1.132 148 W HN -0.116 nan 8.180 nan 0.000 0.675 149 Y N 4.244 124.379 120.300 -0.275 0.000 2.881 149 Y HA -0.059 4.490 4.550 -0.001 0.000 0.335 149 Y C 1.786 177.710 175.900 0.040 0.000 1.263 149 Y CA 0.618 58.607 58.100 -0.184 0.000 1.572 149 Y CB 0.253 38.531 38.460 -0.303 0.000 1.237 149 Y HN -0.091 nan 8.280 nan 0.000 0.568 150 T N -0.167 114.416 114.554 0.049 0.000 2.788 150 T HA 0.112 4.461 4.350 -0.001 0.000 0.287 150 T C 1.270 175.993 174.700 0.038 0.000 1.007 150 T CA -0.247 61.889 62.100 0.059 0.000 1.005 150 T CB 0.923 69.778 68.868 -0.022 0.000 1.012 150 T HN 0.749 nan 8.240 nan 0.000 0.530 151 E N 0.265 120.539 120.200 0.123 0.000 2.097 151 E HA -0.266 4.083 4.350 -0.001 0.000 0.196 151 E C 2.020 178.719 176.600 0.165 0.000 1.000 151 E CA 1.896 58.417 56.400 0.202 0.000 0.804 151 E CB -0.184 29.757 29.700 0.401 0.000 0.740 151 E HN 0.892 nan 8.360 nan 0.000 0.454 152 E N 0.032 120.094 120.200 -0.229 0.000 2.058 152 E HA -0.295 4.054 4.350 -0.001 0.000 0.194 152 E C 2.193 178.699 176.600 -0.157 0.000 0.997 152 E CA 1.561 57.643 56.400 -0.529 0.000 0.801 152 E CB -0.072 28.877 29.700 -1.252 0.000 0.746 152 E HN 0.393 nan 8.360 nan 0.000 0.450 153 Q N -0.190 119.469 119.800 -0.235 0.000 2.170 153 Q HA -0.165 4.174 4.340 -0.001 0.000 0.203 153 Q C 2.295 178.244 176.000 -0.086 0.000 0.976 153 Q CA 1.460 57.061 55.803 -0.335 0.000 0.858 153 Q CB -0.019 28.163 28.738 -0.927 0.000 0.907 153 Q HN 0.229 nan 8.270 nan 0.000 0.433 154 R N -0.719 119.801 120.500 0.034 0.000 2.075 154 R HA -0.121 4.218 4.340 -0.001 0.000 0.232 154 R C 1.903 178.222 176.300 0.032 0.000 1.126 154 R CA 1.331 57.482 56.100 0.084 0.000 0.963 154 R CB -0.240 30.062 30.300 0.003 0.000 0.858 154 R HN 0.301 nan 8.270 nan 0.000 0.435 155 Y N 1.340 121.683 120.300 0.071 0.000 2.145 155 Y HA -0.228 4.321 4.550 -0.001 0.000 0.286 155 Y C 2.181 178.127 175.900 0.077 0.000 1.145 155 Y CA 1.289 59.445 58.100 0.094 0.000 1.148 155 Y CB -0.153 38.401 38.460 0.157 0.000 0.981 155 Y HN 0.103 nan 8.280 nan 0.000 0.507 156 N N 0.148 118.974 118.700 0.211 0.000 2.084 156 N HA -0.190 4.549 4.740 -0.001 0.000 0.190 156 N C 1.802 177.391 175.510 0.132 0.000 1.030 156 N CA 1.416 54.551 53.050 0.142 0.000 0.849 156 N CB -0.650 37.883 38.487 0.076 0.000 1.012 156 N HN 0.299 nan 8.380 nan 0.000 0.423 157 I N 1.117 121.770 120.570 0.138 0.000 2.394 157 I HA -0.098 4.072 4.170 -0.001 0.000 0.251 157 I C 1.978 178.147 176.117 0.087 0.000 1.136 157 I CA 0.509 61.889 61.300 0.133 0.000 1.425 157 I CB -0.428 37.685 38.000 0.188 0.000 1.079 157 I HN 0.095 nan 8.210 nan 0.000 0.425 158 A N -0.266 122.600 122.820 0.076 0.000 1.902 158 A HA -0.215 4.104 4.320 -0.001 0.000 0.217 158 A C 2.060 179.688 177.584 0.073 0.000 1.181 158 A CA 2.051 54.117 52.037 0.048 0.000 0.623 158 A CB -0.784 18.229 19.000 0.021 0.000 0.818 158 A HN 0.424 nan 8.150 nan 0.000 0.443 159 D N -0.096 120.370 120.400 0.110 0.000 2.178 159 D HA -0.002 4.637 4.640 -0.001 0.000 0.202 159 D C 2.214 178.568 176.300 0.090 0.000 0.974 159 D CA 1.278 55.342 54.000 0.107 0.000 0.841 159 D CB -0.308 40.569 40.800 0.130 0.000 0.953 159 D HN 0.414 nan 8.370 nan 0.000 0.478 160 A N 1.164 124.039 122.820 0.093 0.000 1.902 160 A HA -0.082 4.237 4.320 -0.001 0.000 0.217 160 A C 2.338 179.965 177.584 0.070 0.000 1.181 160 A CA 2.106 54.195 52.037 0.087 0.000 0.623 160 A CB -0.650 18.411 19.000 0.100 0.000 0.818 160 A HN 0.229 nan 8.150 nan 0.000 0.443 161 A N -0.267 122.588 122.820 0.058 0.000 1.940 161 A HA -0.190 4.129 4.320 -0.001 0.000 0.219 161 A C 2.260 179.871 177.584 0.045 0.000 1.176 161 A CA 1.633 53.695 52.037 0.042 0.000 0.631 161 A CB -0.456 18.553 19.000 0.015 0.000 0.814 161 A HN 0.564 nan 8.150 nan 0.000 0.446 162 R N -0.706 119.824 120.500 0.050 0.000 2.075 162 R HA -0.011 4.328 4.340 -0.001 0.000 0.232 162 R C 1.990 178.320 176.300 0.051 0.000 1.126 162 R CA 1.495 57.626 56.100 0.050 0.000 0.963 162 R CB -0.498 29.837 30.300 0.058 0.000 0.858 162 R HN 0.578 nan 8.270 nan 0.000 0.435 163 I N 0.724 121.328 120.570 0.057 0.000 2.248 163 I HA -0.268 3.901 4.170 -0.001 0.000 0.248 163 I C 2.149 178.292 176.117 0.044 0.000 1.107 163 I CA 1.347 62.680 61.300 0.055 0.000 1.373 163 I CB -0.260 37.779 38.000 0.064 0.000 1.055 163 I HN 0.177 nan 8.210 nan 0.000 0.418 164 A N 0.250 123.095 122.820 0.042 0.000 2.259 164 A HA 0.363 4.682 4.320 -0.001 0.000 0.208 164 A C 1.757 179.361 177.584 0.032 0.000 1.201 164 A CA 0.668 52.724 52.037 0.031 0.000 0.824 164 A CB -0.664 18.356 19.000 0.034 0.000 0.838 164 A HN 0.594 nan 8.150 nan 0.000 0.485 165 G N -1.346 107.476 108.800 0.036 0.000 2.136 165 G HA2 -0.190 3.769 3.960 -0.001 0.000 0.242 165 G HA3 -0.190 3.769 3.960 -0.001 0.000 0.242 165 G C -0.109 174.815 174.900 0.040 0.000 0.989 165 G CA 0.325 45.445 45.100 0.034 0.000 0.682 165 G HN 0.457 nan 8.290 nan 0.000 0.522 166 L N 0.028 121.279 121.223 0.047 0.000 2.346 166 L HA 0.508 4.847 4.340 -0.001 0.000 0.274 166 L C 0.202 177.092 176.870 0.033 0.000 1.007 166 L CA -1.274 53.597 54.840 0.052 0.000 0.818 166 L CB 1.782 43.885 42.059 0.075 0.000 1.284 166 L HN 0.141 nan 8.230 nan 0.000 0.424 167 N N 4.017 122.732 118.700 0.025 0.000 2.411 167 N HA 0.234 4.974 4.740 -0.001 0.000 0.259 167 N C -2.510 172.986 175.510 -0.024 0.000 1.103 167 N CA -1.540 51.514 53.050 0.006 0.000 0.954 167 N CB 1.005 39.496 38.487 0.007 0.000 1.085 167 N HN 0.166 nan 8.380 nan 0.000 0.485 168 P HA 0.042 nan 4.420 nan 0.000 0.280 168 P C 1.069 178.304 177.300 -0.107 0.000 1.386 168 P CA -0.466 62.593 63.100 -0.068 0.000 0.899 168 P CB 0.732 32.404 31.700 -0.046 0.000 1.098 169 V N 1.845 121.662 119.914 -0.162 0.000 2.515 169 V HA 0.038 4.158 4.120 -0.001 0.000 0.250 169 V C 0.898 176.856 176.094 -0.227 0.000 1.058 169 V CA 1.151 63.267 62.300 -0.306 0.000 1.064 169 V CB -0.795 30.752 31.823 -0.460 0.000 0.675 169 V HN 0.417 nan 8.190 nan 0.000 0.461 170 R N -0.544 119.881 120.500 -0.124 0.000 2.594 170 R HA 0.510 4.849 4.340 -0.001 0.000 0.265 170 R C -1.872 174.402 176.300 -0.044 0.000 1.070 170 R CA -0.831 55.239 56.100 -0.051 0.000 0.909 170 R CB 1.941 32.254 30.300 0.021 0.000 1.243 170 R HN 0.227 nan 8.270 nan 0.000 0.455 171 I N 4.434 124.987 120.570 -0.029 0.000 2.330 171 I HA 0.263 4.432 4.170 -0.001 0.000 0.286 171 I C -0.036 176.089 176.117 0.013 0.000 1.025 171 I CA -0.530 60.750 61.300 -0.034 0.000 1.197 171 I CB 1.142 39.116 38.000 -0.043 0.000 1.358 171 I HN 0.292 nan 8.210 nan 0.000 0.467 172 V N 7.632 127.546 119.914 0.001 0.000 2.547 172 V HA 0.430 4.550 4.120 -0.001 0.000 0.299 172 V C 0.234 176.319 176.094 -0.015 0.000 1.040 172 V CA -0.696 61.633 62.300 0.049 0.000 0.913 172 V CB 1.962 33.815 31.823 0.051 0.000 0.992 172 V HN 0.644 nan 8.190 nan 0.000 0.449 173 N N 3.858 122.576 118.700 0.030 0.000 2.483 173 N HA 0.042 4.781 4.740 -0.001 0.000 0.264 173 N C 0.632 176.090 175.510 -0.087 0.000 1.197 173 N CA 0.332 53.364 53.050 -0.031 0.000 0.927 173 N CB 1.226 39.736 38.487 0.039 0.000 1.065 173 N HN 0.867 nan 8.380 nan 0.000 0.461 174 D N 1.637 121.959 120.400 -0.130 0.000 2.117 174 D HA -0.140 4.499 4.640 -0.001 0.000 0.197 174 D C 1.425 177.647 176.300 -0.129 0.000 0.987 174 D CA 1.075 54.995 54.000 -0.132 0.000 0.829 174 D CB -0.375 40.343 40.800 -0.138 0.000 0.961 174 D HN 0.266 nan 8.370 nan 0.000 0.460 175 V N 0.734 120.582 119.914 -0.110 0.000 2.515 175 V HA -0.191 3.929 4.120 -0.001 0.000 0.250 175 V C 2.536 178.479 176.094 -0.252 0.000 1.058 175 V CA 1.970 64.184 62.300 -0.145 0.000 1.064 175 V CB -0.953 30.836 31.823 -0.057 0.000 0.675 175 V HN 0.297 nan 8.190 nan 0.000 0.461 176 T N 0.817 115.259 114.554 -0.186 0.000 2.720 176 T HA -0.207 4.142 4.350 -0.001 0.000 0.268 176 T C 2.118 176.625 174.700 -0.322 0.000 1.037 176 T CA 1.717 63.685 62.100 -0.221 0.000 1.144 176 T CB -0.452 68.354 68.868 -0.104 0.000 0.864 176 T HN 0.581 nan 8.240 nan 0.000 0.444 177 A N 1.452 124.109 122.820 -0.272 0.000 1.908 177 A HA 0.118 4.437 4.320 -0.001 0.000 0.218 177 A C 2.643 180.060 177.584 -0.277 0.000 1.181 177 A CA 1.881 53.750 52.037 -0.279 0.000 0.627 177 A CB -1.072 17.817 19.000 -0.184 0.000 0.818 177 A HN 0.527 nan 8.150 nan 0.000 0.445 178 A N -0.576 122.083 122.820 -0.268 0.000 1.930 178 A HA 0.180 4.499 4.320 -0.001 0.000 0.217 178 A C 2.386 179.759 177.584 -0.352 0.000 1.175 178 A CA 1.742 53.623 52.037 -0.259 0.000 0.627 178 A CB -1.301 17.574 19.000 -0.208 0.000 0.815 178 A HN 0.718 nan 8.150 nan 0.000 0.443 179 G N -0.350 108.120 108.800 -0.550 0.000 2.440 179 G HA2 -0.146 3.813 3.960 -0.001 0.000 0.218 179 G HA3 -0.146 3.813 3.960 -0.001 0.000 0.218 179 G C 1.497 176.379 174.900 -0.031 0.000 1.154 179 G CA 1.283 46.139 45.100 -0.406 0.000 0.767 179 G HN 0.312 nan 8.290 nan 0.000 0.552 180 V N 0.907 120.651 119.914 -0.284 0.000 2.343 180 V HA -0.192 3.928 4.120 -0.001 0.000 0.247 180 V C 3.097 178.842 176.094 -0.582 0.000 1.051 180 V CA 2.186 64.158 62.300 -0.546 0.000 1.036 180 V CB -0.598 30.857 31.823 -0.613 0.000 0.654 180 V HN 0.364 nan 8.190 nan 0.000 0.451 181 S N -1.346 114.138 115.700 -0.360 0.000 2.359 181 S HA -0.264 4.205 4.470 -0.001 0.000 0.224 181 S C 1.845 176.346 174.600 -0.166 0.000 1.035 181 S CA 2.123 60.159 58.200 -0.274 0.000 1.018 181 S CB -0.460 62.627 63.200 -0.187 0.000 0.876 181 S HN 0.702 nan 8.310 nan 0.000 0.448 182 Y N 1.988 122.180 120.300 -0.179 0.000 2.145 182 Y HA -0.118 4.431 4.550 -0.001 0.000 0.286 182 Y C 2.438 178.229 175.900 -0.182 0.000 1.145 182 Y CA 1.558 59.596 58.100 -0.104 0.000 1.148 182 Y CB -0.951 37.499 38.460 -0.016 0.000 0.981 182 Y HN 0.250 nan 8.280 nan 0.000 0.507 183 G N 0.684 109.461 108.800 -0.039 0.000 2.418 183 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.217 183 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.217 183 G C 1.587 176.286 174.900 -0.335 0.000 1.158 183 G CA 1.314 46.375 45.100 -0.065 0.000 0.771 183 G HN 0.669 nan 8.290 nan 0.000 0.545 184 I N -3.298 116.905 120.570 -0.613 0.000 3.059 184 I HA 0.294 4.464 4.170 -0.001 0.000 0.270 184 I C 2.272 178.270 176.117 -0.198 0.000 1.238 184 I CA 0.457 61.494 61.300 -0.439 0.000 1.478 184 I CB -0.156 37.425 38.000 -0.698 0.000 1.097 184 I HN 0.058 nan 8.210 nan 0.000 0.455 185 F N 2.387 122.128 119.950 -0.348 0.000 2.220 185 F HA 0.296 4.822 4.527 -0.001 0.000 0.290 185 F C 1.266 176.881 175.800 -0.308 0.000 1.080 185 F CA 0.380 58.202 58.000 -0.298 0.000 1.318 185 F CB 0.074 38.889 39.000 -0.308 0.000 1.063 185 F HN -0.235 nan 8.300 nan 0.000 0.498 186 K N 1.351 121.423 120.400 -0.547 0.000 2.448 186 K HA 0.088 4.407 4.320 -0.001 0.000 0.278 186 K C 0.943 177.317 176.600 -0.376 0.000 1.009 186 K CA 0.773 56.701 56.287 -0.599 0.000 0.995 186 K CB 0.357 32.479 32.500 -0.630 0.000 0.917 186 K HN 0.378 nan 8.250 nan 0.000 0.481 187 T N -2.671 111.674 114.554 -0.348 0.000 3.040 187 T HA 0.025 4.374 4.350 -0.001 0.000 0.266 187 T C 0.358 174.973 174.700 -0.141 0.000 1.005 187 T CA -0.243 61.729 62.100 -0.213 0.000 0.906 187 T CB 0.075 68.809 68.868 -0.223 0.000 1.082 187 T HN 0.524 nan 8.240 nan 0.000 0.531 188 D N 1.129 121.439 120.400 -0.149 0.000 2.538 188 D HA 0.190 4.830 4.640 -0.001 0.000 0.231 188 D C 0.330 176.607 176.300 -0.038 0.000 1.229 188 D CA -0.502 53.445 54.000 -0.089 0.000 0.828 188 D CB -0.315 40.421 40.800 -0.107 0.000 1.035 188 D HN 0.363 nan 8.370 nan 0.000 0.495 189 L N 0.760 121.972 121.223 -0.017 0.000 2.467 189 L HA 0.263 4.602 4.340 -0.001 0.000 0.270 189 L C -1.856 175.056 176.870 0.071 0.000 1.205 189 L CA -1.507 53.368 54.840 0.057 0.000 0.828 189 L CB 0.046 42.175 42.059 0.117 0.000 1.101 189 L HN -0.227 nan 8.230 nan 0.000 0.479 190 P HA 0.102 nan 4.420 nan 0.000 0.268 190 P C -1.059 176.282 177.300 0.069 0.000 1.208 190 P CA 0.001 63.149 63.100 0.080 0.000 0.777 190 P CB 0.571 32.329 31.700 0.096 0.000 0.875 191 E N 0.205 120.434 120.200 0.049 0.000 2.336 191 E HA 0.503 4.853 4.350 -0.001 0.000 0.267 191 E C 0.630 177.248 176.600 0.029 0.000 0.906 191 E CA -0.707 55.716 56.400 0.037 0.000 0.781 191 E CB 1.618 31.335 29.700 0.028 0.000 1.261 191 E HN 0.577 nan 8.360 nan 0.000 0.436 192 G N 1.068 109.881 108.800 0.022 0.000 2.634 192 G HA2 -0.506 3.453 3.960 -0.001 0.000 0.318 192 G HA3 -0.506 3.453 3.960 -0.001 0.000 0.318 192 G C 0.916 175.826 174.900 0.017 0.000 1.207 192 G CA 0.979 46.089 45.100 0.016 0.000 0.987 192 G HN 0.694 nan 8.290 nan 0.000 0.547 193 E N 0.908 121.118 120.200 0.017 0.000 2.400 193 E HA 0.355 4.705 4.350 -0.001 0.000 0.195 193 E C 1.128 177.742 176.600 0.023 0.000 1.012 193 E CA 1.382 57.793 56.400 0.017 0.000 0.875 193 E CB -0.287 29.421 29.700 0.014 0.000 0.859 193 E HN 0.844 nan 8.360 nan 0.000 0.498 194 E N 0.740 120.957 120.200 0.028 0.000 2.467 194 E HA 0.161 4.511 4.350 -0.001 0.000 0.264 194 E C -0.312 176.313 176.600 0.042 0.000 1.020 194 E CA -0.082 56.339 56.400 0.034 0.000 0.945 194 E CB 0.437 30.161 29.700 0.039 0.000 0.942 194 E HN 0.142 nan 8.360 nan 0.000 0.449 195 K N 3.701 124.127 120.400 0.043 0.000 2.511 195 K HA 0.016 4.335 4.320 -0.001 0.000 0.280 195 K C -2.154 174.489 176.600 0.071 0.000 1.008 195 K CA -0.696 55.620 56.287 0.049 0.000 1.050 195 K CB 0.024 32.550 32.500 0.044 0.000 0.889 195 K HN 0.277 nan 8.250 nan 0.000 0.484 196 P HA -0.008 nan 4.420 nan 0.000 0.269 196 P C -0.848 176.541 177.300 0.148 0.000 1.215 196 P CA -0.149 63.021 63.100 0.117 0.000 0.780 196 P CB 0.615 32.373 31.700 0.097 0.000 0.898 197 R N 2.667 123.301 120.500 0.223 0.000 2.298 197 R HA 0.265 4.605 4.340 -0.001 0.000 0.310 197 R C -0.235 176.239 176.300 0.290 0.000 1.068 197 R CA -0.485 55.770 56.100 0.258 0.000 0.957 197 R CB 0.112 30.604 30.300 0.321 0.000 1.003 197 R HN 0.356 nan 8.270 nan 0.000 0.454 198 I N 5.996 126.682 120.570 0.193 0.000 2.304 198 I HA 0.230 4.400 4.170 -0.001 0.000 0.291 198 I C -0.250 175.939 176.117 0.120 0.000 1.018 198 I CA -0.612 60.782 61.300 0.157 0.000 1.260 198 I CB 1.179 39.228 38.000 0.081 0.000 1.390 198 I HN 0.324 nan 8.210 nan 0.000 0.475 199 V N 5.469 125.465 119.914 0.137 0.000 2.540 199 V HA 0.683 4.803 4.120 -0.001 0.000 0.302 199 V C 0.384 176.358 176.094 -0.201 0.000 1.035 199 V CA -0.768 61.455 62.300 -0.127 0.000 0.873 199 V CB 1.835 33.408 31.823 -0.417 0.000 0.992 199 V HN 0.859 nan 8.190 nan 0.000 0.428 200 A N 4.655 127.238 122.820 -0.395 0.000 2.301 200 A HA 0.876 5.196 4.320 -0.001 0.000 0.312 200 A C -1.034 176.256 177.584 -0.491 0.000 1.182 200 A CA -0.222 51.628 52.037 -0.311 0.000 0.826 200 A CB 0.335 19.028 19.000 -0.511 0.000 1.134 200 A HN 0.641 nan 8.150 nan 0.000 0.501 201 F N 1.675 121.601 119.950 -0.041 0.000 2.467 201 F HA 0.509 5.035 4.527 -0.001 0.000 0.336 201 F C -0.066 175.763 175.800 0.048 0.000 1.123 201 F CA -0.576 57.409 58.000 -0.025 0.000 0.964 201 F CB 2.367 41.359 39.000 -0.014 0.000 1.136 201 F HN 0.254 nan 8.300 nan 0.000 0.447 202 V N 2.448 122.479 119.914 0.194 0.000 2.378 202 V HA 0.295 4.414 4.120 -0.001 0.000 0.288 202 V C -1.134 175.055 176.094 0.158 0.000 1.016 202 V CA -0.678 61.749 62.300 0.211 0.000 0.840 202 V CB 1.763 33.706 31.823 0.200 0.000 0.994 202 V HN 0.707 nan 8.190 nan 0.000 0.431 203 D N 5.011 125.519 120.400 0.180 0.000 2.471 203 D HA 0.584 5.223 4.640 -0.001 0.000 0.245 203 D C -0.786 175.593 176.300 0.133 0.000 1.116 203 D CA -0.265 53.810 54.000 0.124 0.000 0.853 203 D CB 1.063 41.928 40.800 0.108 0.000 1.123 203 D HN 0.466 nan 8.370 nan 0.000 0.540 204 I N 3.632 124.229 120.570 0.045 0.000 2.382 204 I HA 0.568 4.738 4.170 -0.001 0.000 0.286 204 I C 0.953 177.111 176.117 0.068 0.000 1.002 204 I CA -0.720 60.605 61.300 0.042 0.000 1.135 204 I CB 1.870 39.799 38.000 -0.117 0.000 1.288 204 I HN 0.468 nan 8.210 nan 0.000 0.448 205 G N 2.985 111.857 108.800 0.120 0.000 3.194 205 G HA2 0.112 4.071 3.960 -0.001 0.000 0.160 205 G HA3 0.112 4.071 3.960 -0.001 0.000 0.160 205 G C 0.718 175.706 174.900 0.148 0.000 1.267 205 G CA 0.013 45.182 45.100 0.115 0.000 0.962 205 G HN 0.690 nan 8.290 nan 0.000 0.612 206 H N -0.351 118.750 119.070 0.052 0.000 2.403 206 H HA -0.028 4.527 4.556 -0.001 0.000 0.298 206 H C 2.154 177.513 175.328 0.051 0.000 1.059 206 H CA 2.039 58.107 56.048 0.034 0.000 1.363 206 H CB 0.429 30.190 29.762 -0.003 0.000 1.410 206 H HN 0.407 nan 8.280 nan 0.000 0.528 207 S N -1.372 114.382 115.700 0.091 0.000 2.631 207 S HA 0.219 4.689 4.470 -0.001 0.000 0.246 207 S C 0.470 175.165 174.600 0.158 0.000 1.068 207 S CA -0.544 57.684 58.200 0.047 0.000 0.995 207 S CB 0.962 64.204 63.200 0.069 0.000 0.944 207 S HN 0.043 nan 8.310 nan 0.000 0.529 208 S N 0.520 116.365 115.700 0.241 0.000 2.566 208 S HA 0.617 5.086 4.470 -0.001 0.000 0.298 208 S C -1.845 172.963 174.600 0.346 0.000 1.083 208 S CA -0.709 57.679 58.200 0.313 0.000 0.978 208 S CB 1.657 65.127 63.200 0.450 0.000 1.073 208 S HN 0.501 nan 8.310 nan 0.000 0.491 209 Y N 1.829 122.220 120.300 0.152 0.000 2.332 209 Y HA 0.457 5.006 4.550 -0.001 0.000 0.326 209 Y C -0.949 174.982 175.900 0.052 0.000 0.978 209 Y CA -0.549 57.575 58.100 0.040 0.000 1.205 209 Y CB 0.789 39.139 38.460 -0.184 0.000 1.131 209 Y HN 0.511 nan 8.280 nan 0.000 0.462 210 T N 5.817 120.585 114.554 0.356 0.000 2.797 210 T HA 0.277 4.626 4.350 -0.001 0.000 0.279 210 T C -1.251 173.577 174.700 0.212 0.000 0.991 210 T CA -0.414 61.796 62.100 0.184 0.000 0.979 210 T CB 1.110 70.075 68.868 0.162 0.000 0.943 210 T HN 0.703 nan 8.240 nan 0.000 0.444 211 C N 3.250 122.611 119.300 0.102 0.000 2.345 211 C HA 0.810 5.269 4.460 -0.001 0.000 0.323 211 C C 0.070 175.152 174.990 0.153 0.000 1.276 211 C CA -0.292 58.830 59.018 0.173 0.000 1.543 211 C CB -0.046 27.791 27.740 0.162 0.000 2.211 211 C HN 0.829 nan 8.230 nan 0.000 0.493 212 S N 6.030 121.852 115.700 0.204 0.000 2.561 212 S HA 0.713 5.182 4.470 -0.001 0.000 0.303 212 S C -0.907 173.843 174.600 0.249 0.000 1.110 212 S CA -0.558 57.752 58.200 0.183 0.000 1.034 212 S CB 0.517 63.797 63.200 0.133 0.000 1.010 212 S HN 0.674 nan 8.310 nan 0.000 0.482 213 I N 5.296 125.978 120.570 0.186 0.000 2.339 213 I HA 0.433 4.602 4.170 -0.001 0.000 0.290 213 I C -0.218 175.990 176.117 0.151 0.000 0.994 213 I CA -0.244 61.163 61.300 0.178 0.000 1.191 213 I CB 1.180 39.266 38.000 0.143 0.000 1.343 213 I HN 0.579 nan 8.210 nan 0.000 0.458 214 M N 4.680 124.399 119.600 0.199 0.000 2.530 214 M HA 0.665 5.144 4.480 -0.001 0.000 0.307 214 M C -0.403 175.939 176.300 0.071 0.000 1.161 214 M CA -0.690 54.660 55.300 0.084 0.000 0.903 214 M CB 2.769 35.396 32.600 0.045 0.000 1.711 214 M HN 0.620 nan 8.290 nan 0.000 0.451 215 A N 2.303 125.082 122.820 -0.069 0.000 2.276 215 A HA 0.841 5.160 4.320 -0.001 0.000 0.316 215 A C -1.486 176.021 177.584 -0.129 0.000 1.229 215 A CA -0.348 51.691 52.037 0.004 0.000 0.851 215 A CB 0.253 19.260 19.000 0.012 0.000 1.165 215 A HN 0.696 nan 8.150 nan 0.000 0.513 216 F N 1.740 121.779 119.950 0.148 0.000 2.467 216 F HA 0.535 5.061 4.527 -0.001 0.000 0.336 216 F C 0.522 176.403 175.800 0.135 0.000 1.123 216 F CA -0.120 57.992 58.000 0.186 0.000 0.964 216 F CB 2.412 41.585 39.000 0.288 0.000 1.136 216 F HN 0.535 nan 8.300 nan 0.000 0.447 217 K N 1.256 121.811 120.400 0.258 0.000 2.378 217 K HA 0.367 4.686 4.320 -0.001 0.000 0.244 217 K C -0.816 175.891 176.600 0.177 0.000 1.039 217 K CA -1.380 55.011 56.287 0.174 0.000 0.863 217 K CB 1.958 34.505 32.500 0.078 0.000 1.326 217 K HN 0.414 nan 8.250 nan 0.000 0.460 218 K N 0.592 121.066 120.400 0.124 0.000 2.472 218 K HA -0.048 4.271 4.320 -0.001 0.000 0.280 218 K C 0.462 177.101 176.600 0.066 0.000 1.028 218 K CA 1.417 57.776 56.287 0.120 0.000 1.045 218 K CB -0.104 32.441 32.500 0.074 0.000 0.902 218 K HN 0.790 nan 8.250 nan 0.000 0.478 219 G N 2.754 111.623 108.800 0.114 0.000 2.155 219 G HA2 -0.309 3.650 3.960 -0.001 0.000 0.257 219 G HA3 -0.309 3.650 3.960 -0.001 0.000 0.257 219 G C -0.409 174.091 174.900 -0.667 0.000 0.983 219 G CA 0.909 45.960 45.100 -0.080 0.000 0.676 219 G HN 0.747 nan 8.290 nan 0.000 0.528 220 Q N -1.381 117.985 119.800 -0.722 0.000 2.426 220 Q HA 0.714 5.053 4.340 -0.001 0.000 0.278 220 Q C -1.052 174.717 176.000 -0.386 0.000 1.007 220 Q CA -1.176 54.186 55.803 -0.735 0.000 0.850 220 Q CB 1.811 30.357 28.738 -0.320 0.000 1.427 220 Q HN 1.114 nan 8.270 nan 0.000 0.391 221 L N -1.265 119.772 121.223 -0.311 0.000 2.371 221 L HA 0.802 5.141 4.340 -0.001 0.000 0.262 221 L C -1.404 175.345 176.870 -0.202 0.000 1.006 221 L CA -0.715 53.939 54.840 -0.311 0.000 0.818 221 L CB 2.352 44.134 42.059 -0.461 0.000 1.354 221 L HN 0.783 nan 8.230 nan 0.000 0.415 222 K N 1.695 121.958 120.400 -0.228 0.000 2.471 222 K HA 0.674 4.993 4.320 -0.001 0.000 0.252 222 K C -1.519 175.007 176.600 -0.124 0.000 0.938 222 K CA -0.751 55.455 56.287 -0.135 0.000 0.796 222 K CB 2.159 34.603 32.500 -0.093 0.000 1.161 222 K HN 0.666 nan 8.250 nan 0.000 0.425 223 V N 6.532 126.391 119.914 -0.092 0.000 2.521 223 V HA 0.060 4.179 4.120 -0.001 0.000 0.286 223 V C 1.150 177.234 176.094 -0.017 0.000 1.034 223 V CA 0.077 62.346 62.300 -0.052 0.000 1.045 223 V CB 0.885 32.678 31.823 -0.049 0.000 0.974 223 V HN 0.826 nan 8.190 nan 0.000 0.480 224 L N 3.709 124.940 121.223 0.013 0.000 2.425 224 L HA 0.509 4.849 4.340 -0.001 0.000 0.215 224 L C 1.023 177.917 176.870 0.041 0.000 1.065 224 L CA 0.713 55.570 54.840 0.028 0.000 0.842 224 L CB 0.280 42.362 42.059 0.039 0.000 1.033 224 L HN 0.804 nan 8.230 nan 0.000 0.474 225 G N -0.711 108.119 108.800 0.050 0.000 2.733 225 G HA2 0.516 4.475 3.960 -0.001 0.000 0.297 225 G HA3 0.516 4.475 3.960 -0.001 0.000 0.297 225 G C -1.316 173.619 174.900 0.059 0.000 1.452 225 G CA -0.229 44.900 45.100 0.049 0.000 0.940 225 G HN -0.235 nan 8.290 nan 0.000 0.547 226 T N 0.057 114.637 114.554 0.044 0.000 2.916 226 T HA 0.818 5.167 4.350 -0.001 0.000 0.298 226 T C -0.326 174.394 174.700 0.033 0.000 1.031 226 T CA -0.084 62.046 62.100 0.050 0.000 0.993 226 T CB 1.785 70.685 68.868 0.053 0.000 1.045 226 T HN 1.545 nan 8.240 nan 0.000 0.454 227 A N 1.513 124.348 122.820 0.025 0.000 2.486 227 A HA 0.773 5.092 4.320 -0.001 0.000 0.300 227 A C -0.791 176.773 177.584 -0.034 0.000 1.048 227 A CA -0.676 51.355 52.037 -0.010 0.000 0.696 227 A CB 1.044 20.013 19.000 -0.051 0.000 1.278 227 A HN 0.952 nan 8.150 nan 0.000 0.405 228 C N 0.892 120.185 119.300 -0.012 0.000 2.634 228 C HA 0.775 5.234 4.460 -0.001 0.000 0.313 228 C C -0.736 174.194 174.990 -0.100 0.000 1.198 228 C CA -0.544 58.474 59.018 -0.000 0.000 1.605 228 C CB 1.749 29.631 27.740 0.236 0.000 2.196 228 C HN 0.875 nan 8.230 nan 0.000 0.486 229 D N 1.151 121.465 120.400 -0.143 0.000 2.453 229 D HA 0.225 4.864 4.640 -0.001 0.000 0.238 229 D C 0.684 176.946 176.300 -0.063 0.000 1.088 229 D CA -0.341 53.609 54.000 -0.083 0.000 0.854 229 D CB 0.993 41.782 40.800 -0.018 0.000 1.076 229 D HN 0.727 nan 8.370 nan 0.000 0.533 230 K N 2.061 122.234 120.400 -0.377 0.000 2.486 230 K HA -0.014 4.306 4.320 -0.001 0.000 0.194 230 K C 0.226 176.512 176.600 -0.523 0.000 1.033 230 K CA 0.728 56.615 56.287 -0.666 0.000 1.004 230 K CB 0.165 31.661 32.500 -1.674 0.000 0.798 230 K HN 0.290 nan 8.250 nan 0.000 0.495 231 H N 0.175 119.228 119.070 -0.029 0.000 2.507 231 H HA 0.256 4.811 4.556 -0.001 0.000 0.271 231 H C -1.567 173.843 175.328 0.137 0.000 1.224 231 H CA -0.570 55.492 56.048 0.023 0.000 1.000 231 H CB -0.426 29.331 29.762 -0.010 0.000 1.663 231 H HN 0.174 nan 8.280 nan 0.000 0.548 232 F N 0.568 120.588 119.950 0.116 0.000 3.051 232 F HA 0.504 5.030 4.527 -0.001 0.000 0.363 232 F C -0.533 175.367 175.800 0.166 0.000 1.257 232 F CA -0.392 57.709 58.000 0.169 0.000 1.126 232 F CB 1.109 40.273 39.000 0.273 0.000 1.476 232 F HN 0.270 nan 8.300 nan 0.000 0.576 233 G N 1.762 110.738 108.800 0.293 0.000 2.550 233 G HA2 0.379 4.338 3.960 -0.001 0.000 0.293 233 G HA3 0.379 4.338 3.960 -0.001 0.000 0.293 233 G C 0.484 175.484 174.900 0.165 0.000 1.402 233 G CA -0.138 45.105 45.100 0.239 0.000 0.784 233 G HN 0.781 nan 8.290 nan 0.000 0.482 234 G N -0.125 108.716 108.800 0.067 0.000 2.475 234 G HA2 -0.208 3.752 3.960 -0.001 0.000 0.220 234 G HA3 -0.208 3.752 3.960 -0.001 0.000 0.220 234 G C 1.709 176.612 174.900 0.004 0.000 1.125 234 G CA 1.593 46.716 45.100 0.039 0.000 0.755 234 G HN 0.872 nan 8.290 nan 0.000 0.565 235 R N 0.283 120.601 120.500 -0.303 0.000 2.148 235 R HA -0.002 4.337 4.340 -0.001 0.000 0.227 235 R C 1.461 177.733 176.300 -0.046 0.000 1.103 235 R CA 1.566 57.471 56.100 -0.326 0.000 0.983 235 R CB -0.498 29.339 30.300 -0.771 0.000 0.874 235 R HN 0.194 nan 8.270 nan 0.000 0.451 236 D N 0.421 120.805 120.400 -0.027 0.000 2.178 236 D HA -0.097 4.542 4.640 -0.001 0.000 0.202 236 D C 1.681 177.914 176.300 -0.112 0.000 0.974 236 D CA 1.029 55.001 54.000 -0.047 0.000 0.841 236 D CB -0.154 40.555 40.800 -0.152 0.000 0.953 236 D HN 0.230 nan 8.370 nan 0.000 0.478 237 F N 1.898 121.777 119.950 -0.118 0.000 2.128 237 F HA -0.103 4.423 4.527 -0.001 0.000 0.295 237 F C 2.201 177.961 175.800 -0.066 0.000 1.100 237 F CA 0.850 58.790 58.000 -0.100 0.000 1.260 237 F CB -0.330 38.618 39.000 -0.086 0.000 1.009 237 F HN -0.191 nan 8.300 nan 0.000 0.476 238 D N 0.183 120.678 120.400 0.159 0.000 2.104 238 D HA -0.176 4.463 4.640 -0.001 0.000 0.194 238 D C 2.263 178.601 176.300 0.064 0.000 0.994 238 D CA 1.050 55.113 54.000 0.105 0.000 0.830 238 D CB -0.797 40.074 40.800 0.119 0.000 0.959 238 D HN 0.129 nan 8.370 nan 0.000 0.452 239 L N 0.882 122.150 121.223 0.075 0.000 2.046 239 L HA -0.083 4.257 4.340 -0.001 0.000 0.208 239 L C 2.170 179.041 176.870 0.000 0.000 1.077 239 L CA 1.669 56.554 54.840 0.075 0.000 0.747 239 L CB -0.829 41.295 42.059 0.109 0.000 0.896 239 L HN -0.005 nan 8.230 nan 0.000 0.432 240 A N -0.400 122.383 122.820 -0.061 0.000 1.902 240 A HA -0.205 4.115 4.320 -0.001 0.000 0.217 240 A C 2.273 179.771 177.584 -0.143 0.000 1.181 240 A CA 2.127 54.090 52.037 -0.122 0.000 0.623 240 A CB -0.869 18.008 19.000 -0.206 0.000 0.818 240 A HN 0.490 nan 8.150 nan 0.000 0.443 241 I N -0.161 120.322 120.570 -0.145 0.000 2.179 241 I HA -0.242 3.928 4.170 -0.001 0.000 0.242 241 I C 2.908 178.888 176.117 -0.227 0.000 1.088 241 I CA 1.923 63.078 61.300 -0.241 0.000 1.357 241 I CB -0.457 37.458 38.000 -0.142 0.000 1.051 241 I HN 0.556 nan 8.210 nan 0.000 0.409 242 T N -1.308 113.187 114.554 -0.099 0.000 2.904 242 T HA -0.108 4.242 4.350 -0.001 0.000 0.267 242 T C 1.757 176.392 174.700 -0.109 0.000 1.059 242 T CA 0.898 62.940 62.100 -0.097 0.000 1.137 242 T CB -0.145 68.597 68.868 -0.210 0.000 0.879 242 T HN 0.223 nan 8.240 nan 0.000 0.467 243 E N 0.684 120.853 120.200 -0.051 0.000 2.077 243 E HA -0.149 4.200 4.350 -0.001 0.000 0.193 243 E C 1.973 178.510 176.600 -0.106 0.000 0.989 243 E CA 1.615 58.007 56.400 -0.014 0.000 0.800 243 E CB -0.601 29.105 29.700 0.010 0.000 0.746 243 E HN 0.831 nan 8.360 nan 0.000 0.452 244 H N 0.015 118.914 119.070 -0.285 0.000 2.319 244 H HA -0.158 4.398 4.556 -0.001 0.000 0.297 244 H C 1.760 176.808 175.328 -0.467 0.000 1.097 244 H CA 1.899 57.701 56.048 -0.409 0.000 1.285 244 H CB -0.255 29.154 29.762 -0.587 0.000 1.368 244 H HN 0.028 nan 8.280 nan 0.000 0.495 245 F N 0.404 120.056 119.950 -0.496 0.000 2.259 245 F HA 0.090 4.616 4.527 -0.001 0.000 0.298 245 F C 2.751 178.017 175.800 -0.889 0.000 1.088 245 F CA 0.829 58.279 58.000 -0.916 0.000 1.358 245 F CB -1.135 37.335 39.000 -0.883 0.000 1.040 245 F HN 0.380 nan 8.300 nan 0.000 0.505 246 A N 0.209 122.890 122.820 -0.231 0.000 1.892 246 A HA -0.222 4.097 4.320 -0.001 0.000 0.218 246 A C 2.087 179.640 177.584 -0.052 0.000 1.188 246 A CA 2.266 54.279 52.037 -0.041 0.000 0.631 246 A CB -0.842 18.206 19.000 0.079 0.000 0.822 246 A HN 0.278 nan 8.150 nan 0.000 0.447 247 D N -0.919 119.398 120.400 -0.138 0.000 2.084 247 D HA -0.137 4.503 4.640 -0.001 0.000 0.196 247 D C 1.926 178.155 176.300 -0.119 0.000 0.985 247 D CA 1.383 55.316 54.000 -0.112 0.000 0.826 247 D CB -0.518 40.194 40.800 -0.146 0.000 0.978 247 D HN 0.705 nan 8.370 nan 0.000 0.456 248 E N -0.256 119.787 120.200 -0.262 0.000 2.097 248 E HA -0.194 4.155 4.350 -0.001 0.000 0.196 248 E C 1.821 178.486 176.600 0.108 0.000 1.000 248 E CA 0.930 57.235 56.400 -0.159 0.000 0.804 248 E CB -0.041 29.507 29.700 -0.253 0.000 0.740 248 E HN 0.136 nan 8.360 nan 0.000 0.454 249 F N 1.104 121.136 119.950 0.137 0.000 2.325 249 F HA 0.020 4.546 4.527 -0.001 0.000 0.299 249 F C 2.147 178.044 175.800 0.161 0.000 1.090 249 F CA 0.637 58.779 58.000 0.237 0.000 1.392 249 F CB -0.499 38.667 39.000 0.277 0.000 1.053 249 F HN -0.047 nan 8.300 nan 0.000 0.521 250 K N -0.192 120.363 120.400 0.259 0.000 2.063 250 K HA -0.145 4.175 4.320 -0.001 0.000 0.208 250 K C 1.936 178.600 176.600 0.107 0.000 1.048 250 K CA 2.031 58.411 56.287 0.156 0.000 0.928 250 K CB -0.657 31.900 32.500 0.095 0.000 0.713 250 K HN 0.226 nan 8.250 nan 0.000 0.442 251 T N 1.055 115.655 114.554 0.077 0.000 2.732 251 T HA -0.108 4.241 4.350 -0.001 0.000 0.261 251 T C 1.939 176.635 174.700 -0.007 0.000 1.040 251 T CA 1.231 63.348 62.100 0.028 0.000 1.145 251 T CB -0.019 68.852 68.868 0.005 0.000 0.866 251 T HN 0.219 nan 8.240 nan 0.000 0.427 252 K N -0.326 120.056 120.400 -0.031 0.000 2.076 252 K HA 0.008 4.327 4.320 -0.001 0.000 0.204 252 K C 1.204 177.561 176.600 -0.404 0.000 1.051 252 K CA 1.098 57.223 56.287 -0.271 0.000 0.949 252 K CB 0.063 32.319 32.500 -0.406 0.000 0.726 252 K HN 0.370 nan 8.250 nan 0.000 0.443 253 Y N -0.868 119.484 120.300 0.086 0.000 2.453 253 Y HA 0.235 4.784 4.550 -0.001 0.000 0.247 253 Y C 0.665 176.585 175.900 0.034 0.000 1.124 253 Y CA 0.419 58.535 58.100 0.027 0.000 1.243 253 Y CB 1.021 39.454 38.460 -0.045 0.000 1.213 253 Y HN 0.025 nan 8.280 nan 0.000 0.523 254 K N 1.122 121.620 120.400 0.163 0.000 3.129 254 K HA -0.207 4.112 4.320 -0.001 0.000 0.273 254 K C -0.191 176.483 176.600 0.123 0.000 1.123 254 K CA 1.417 57.773 56.287 0.115 0.000 0.800 254 K CB -3.099 29.446 32.500 0.076 0.000 1.238 254 K HN 0.731 nan 8.250 nan 0.000 0.492 255 I N -3.212 117.457 120.570 0.165 0.000 2.509 255 I HA 0.751 4.921 4.170 -0.001 0.000 0.293 255 I C -0.482 175.737 176.117 0.170 0.000 1.020 255 I CA -1.211 60.173 61.300 0.142 0.000 1.088 255 I CB 2.533 40.602 38.000 0.114 0.000 1.267 255 I HN 0.051 nan 8.210 nan 0.000 0.430 256 D N 5.861 126.343 120.400 0.137 0.000 2.460 256 D HA 0.331 4.970 4.640 -0.001 0.000 0.232 256 D C 0.916 177.311 176.300 0.159 0.000 1.079 256 D CA -0.680 53.405 54.000 0.143 0.000 0.864 256 D CB 1.271 42.133 40.800 0.102 0.000 1.048 256 D HN 0.705 nan 8.370 nan 0.000 0.523 257 I N 0.861 121.559 120.570 0.213 0.000 2.756 257 I HA -0.052 4.117 4.170 -0.001 0.000 0.262 257 I C 1.608 177.906 176.117 0.302 0.000 1.225 257 I CA 0.388 61.839 61.300 0.253 0.000 1.472 257 I CB 0.055 38.226 38.000 0.285 0.000 1.094 257 I HN 0.077 nan 8.210 nan 0.000 0.454 258 R N 0.998 121.644 120.500 0.243 0.000 2.189 258 R HA -0.023 4.316 4.340 -0.001 0.000 0.218 258 R C 1.620 177.956 176.300 0.060 0.000 1.074 258 R CA 0.754 56.932 56.100 0.130 0.000 0.991 258 R CB -0.093 30.256 30.300 0.081 0.000 0.883 258 R HN 0.459 nan 8.270 nan 0.000 0.457 259 E N 0.170 120.420 120.200 0.084 0.000 2.442 259 E HA -0.013 4.336 4.350 -0.001 0.000 0.195 259 E C -0.125 176.515 176.600 0.066 0.000 1.030 259 E CA 0.366 56.802 56.400 0.060 0.000 0.869 259 E CB 0.066 29.801 29.700 0.059 0.000 0.857 259 E HN 0.090 nan 8.360 nan 0.000 0.505 260 N N 0.457 119.213 118.700 0.094 0.000 2.540 260 N HA 0.158 4.897 4.740 -0.001 0.000 0.275 260 N C -2.360 173.227 175.510 0.129 0.000 1.053 260 N CA -2.092 51.015 53.050 0.096 0.000 0.876 260 N CB 1.816 40.358 38.487 0.092 0.000 1.284 260 N HN -0.315 nan 8.380 nan 0.000 0.518 261 P HA -0.081 nan 4.420 nan 0.000 0.218 261 P C 0.808 178.206 177.300 0.163 0.000 1.148 261 P CA 1.313 64.486 63.100 0.122 0.000 0.822 261 P CB 0.530 32.280 31.700 0.082 0.000 0.784 262 K N -0.389 120.085 120.400 0.123 0.000 2.057 262 K HA -0.025 4.294 4.320 -0.001 0.000 0.206 262 K C 2.191 178.858 176.600 0.112 0.000 1.050 262 K CA 1.405 57.755 56.287 0.106 0.000 0.935 262 K CB -0.700 31.844 32.500 0.073 0.000 0.715 262 K HN 0.022 nan 8.250 nan 0.000 0.439 263 A N 0.907 123.797 122.820 0.118 0.000 1.908 263 A HA -0.227 4.093 4.320 -0.001 0.000 0.218 263 A C 2.074 179.753 177.584 0.159 0.000 1.181 263 A CA 1.400 53.506 52.037 0.115 0.000 0.627 263 A CB -0.828 18.241 19.000 0.115 0.000 0.818 263 A HN 0.401 nan 8.150 nan 0.000 0.445 264 Y N 0.627 120.983 120.300 0.093 0.000 2.181 264 Y HA -0.229 4.321 4.550 -0.001 0.000 0.288 264 Y C 2.327 178.294 175.900 0.111 0.000 1.146 264 Y CA 2.158 60.323 58.100 0.108 0.000 1.164 264 Y CB -0.274 38.238 38.460 0.088 0.000 0.982 264 Y HN 0.432 nan 8.280 nan 0.000 0.515 265 N N -0.118 118.728 118.700 0.244 0.000 2.244 265 N HA -0.121 4.619 4.740 -0.001 0.000 0.183 265 N C 1.767 177.329 175.510 0.087 0.000 1.016 265 N CA 1.027 54.176 53.050 0.165 0.000 0.866 265 N CB -0.086 38.493 38.487 0.154 0.000 0.980 265 N HN 0.250 nan 8.380 nan 0.000 0.430 266 R N -0.198 120.344 120.500 0.070 0.000 2.096 266 R HA -0.045 4.294 4.340 -0.001 0.000 0.235 266 R C 1.592 177.924 176.300 0.053 0.000 1.127 266 R CA 1.001 57.124 56.100 0.039 0.000 0.968 266 R CB -0.162 30.148 30.300 0.016 0.000 0.861 266 R HN 0.292 nan 8.270 nan 0.000 0.440 267 I N 0.355 120.967 120.570 0.069 0.000 2.277 267 I HA -0.180 3.990 4.170 -0.001 0.000 0.243 267 I C 2.301 178.497 176.117 0.132 0.000 1.094 267 I CA 0.750 62.150 61.300 0.166 0.000 1.393 267 I CB -0.955 37.140 38.000 0.159 0.000 1.078 267 I HN 0.159 nan 8.210 nan 0.000 0.417 268 L N 1.127 122.341 121.223 -0.016 0.000 2.013 268 L HA -0.230 4.110 4.340 -0.001 0.000 0.212 268 L C 2.507 179.437 176.870 0.100 0.000 1.073 268 L CA 2.173 57.027 54.840 0.023 0.000 0.753 268 L CB -1.015 41.072 42.059 0.045 0.000 0.890 268 L HN 0.182 nan 8.230 nan 0.000 0.432 269 T N -0.314 114.296 114.554 0.093 0.000 2.720 269 T HA -0.179 4.170 4.350 -0.001 0.000 0.268 269 T C 1.837 176.601 174.700 0.106 0.000 1.037 269 T CA 1.441 63.592 62.100 0.085 0.000 1.144 269 T CB -0.548 68.352 68.868 0.054 0.000 0.864 269 T HN 0.533 nan 8.240 nan 0.000 0.444 270 A N 1.118 124.023 122.820 0.141 0.000 1.968 270 A HA 0.352 4.672 4.320 -0.001 0.000 0.217 270 A C 2.608 180.420 177.584 0.380 0.000 1.169 270 A CA 1.440 53.590 52.037 0.189 0.000 0.638 270 A CB -0.886 18.152 19.000 0.063 0.000 0.812 270 A HN 0.486 nan 8.150 nan 0.000 0.446 271 A N 0.004 123.045 122.820 0.369 0.000 1.933 271 A HA -0.200 4.119 4.320 -0.001 0.000 0.218 271 A C 1.999 179.693 177.584 0.184 0.000 1.175 271 A CA 1.796 53.994 52.037 0.269 0.000 0.628 271 A CB -0.511 18.580 19.000 0.152 0.000 0.814 271 A HN 0.679 nan 8.150 nan 0.000 0.444 272 E N 0.064 120.356 120.200 0.152 0.000 2.077 272 E HA -0.243 4.106 4.350 -0.001 0.000 0.193 272 E C 1.910 178.571 176.600 0.102 0.000 0.989 272 E CA 1.574 58.043 56.400 0.115 0.000 0.800 272 E CB -0.125 29.637 29.700 0.103 0.000 0.746 272 E HN 0.637 nan 8.360 nan 0.000 0.452 273 K N 0.179 120.648 120.400 0.115 0.000 2.097 273 K HA -0.165 4.154 4.320 -0.001 0.000 0.206 273 K C 2.236 178.906 176.600 0.117 0.000 1.049 273 K CA 1.167 57.511 56.287 0.096 0.000 0.933 273 K CB -0.183 32.365 32.500 0.080 0.000 0.717 273 K HN 0.139 nan 8.250 nan 0.000 0.442 274 L N 1.808 123.142 121.223 0.185 0.000 2.027 274 L HA -0.160 4.179 4.340 -0.001 0.000 0.206 274 L C 2.254 179.193 176.870 0.116 0.000 1.074 274 L CA 1.738 56.696 54.840 0.196 0.000 0.745 274 L CB -0.314 41.934 42.059 0.315 0.000 0.898 274 L HN 0.022 nan 8.230 nan 0.000 0.433 275 K N -0.196 120.261 120.400 0.094 0.000 2.059 275 K HA -0.283 4.036 4.320 -0.001 0.000 0.212 275 K C 2.113 178.720 176.600 0.012 0.000 1.050 275 K CA 2.225 58.540 56.287 0.047 0.000 0.927 275 K CB -0.111 32.414 32.500 0.042 0.000 0.714 275 K HN 0.369 nan 8.250 nan 0.000 0.447 276 K N 0.071 120.483 120.400 0.019 0.000 2.097 276 K HA -0.081 4.238 4.320 -0.001 0.000 0.205 276 K C 2.025 178.632 176.600 0.012 0.000 1.050 276 K CA 1.251 57.540 56.287 0.002 0.000 0.938 276 K CB -0.027 32.478 32.500 0.009 0.000 0.718 276 K HN -0.010 nan 8.250 nan 0.000 0.442 277 V N 1.920 121.855 119.914 0.034 0.000 2.392 277 V HA -0.221 3.898 4.120 -0.001 0.000 0.249 277 V C 1.982 178.093 176.094 0.029 0.000 1.059 277 V CA 1.597 63.919 62.300 0.037 0.000 1.051 277 V CB -0.411 31.448 31.823 0.060 0.000 0.658 277 V HN 0.300 nan 8.190 nan 0.000 0.455 278 L N -0.522 120.718 121.223 0.028 0.000 2.599 278 L HA 0.013 4.352 4.340 -0.001 0.000 0.230 278 L C 2.237 179.107 176.870 0.001 0.000 1.141 278 L CA 0.402 55.254 54.840 0.020 0.000 0.877 278 L CB -0.295 41.779 42.059 0.026 0.000 1.009 278 L HN 0.241 nan 8.230 nan 0.000 0.447 279 S N -0.188 115.505 115.700 -0.012 0.000 2.461 279 S HA 0.034 4.504 4.470 -0.001 0.000 0.228 279 S C 1.985 176.577 174.600 -0.013 0.000 1.005 279 S CA 0.999 59.184 58.200 -0.025 0.000 0.942 279 S CB 0.257 63.432 63.200 -0.042 0.000 0.776 279 S HN 0.526 nan 8.310 nan 0.000 0.514 280 A N 1.250 124.068 122.820 -0.003 0.000 1.944 280 A HA 0.312 4.632 4.320 -0.001 0.000 0.207 280 A C 0.629 178.217 177.584 0.006 0.000 1.265 280 A CA 0.106 52.144 52.037 0.001 0.000 0.712 280 A CB 0.061 19.062 19.000 0.002 0.000 0.915 280 A HN 0.352 nan 8.150 nan 0.000 0.470 281 N N -0.336 118.372 118.700 0.012 0.000 2.443 281 N HA 0.352 5.091 4.740 -0.001 0.000 0.293 281 N C 0.719 176.240 175.510 0.018 0.000 1.159 281 N CA 0.505 53.565 53.050 0.017 0.000 0.904 281 N CB 1.438 39.939 38.487 0.024 0.000 1.214 281 N HN 0.260 nan 8.380 nan 0.000 0.513 282 T N -3.140 111.425 114.554 0.018 0.000 3.081 282 T HA 0.195 4.544 4.350 -0.001 0.000 0.255 282 T C 0.195 174.909 174.700 0.023 0.000 1.113 282 T CA 0.444 62.555 62.100 0.017 0.000 1.082 282 T CB 0.031 68.907 68.868 0.014 0.000 0.939 282 T HN 0.325 nan 8.240 nan 0.000 0.506 283 N N 0.931 119.650 118.700 0.032 0.000 2.229 283 N HA 0.672 5.411 4.740 -0.001 0.000 0.298 283 N C -1.654 173.891 175.510 0.059 0.000 1.114 283 N CA -0.492 52.584 53.050 0.044 0.000 0.776 283 N CB 2.373 40.886 38.487 0.043 0.000 1.501 283 N HN 0.381 nan 8.380 nan 0.000 0.474 284 A N 1.584 124.455 122.820 0.084 0.000 2.459 284 A HA 0.659 4.979 4.320 -0.001 0.000 0.296 284 A C -2.865 174.809 177.584 0.151 0.000 1.039 284 A CA -1.185 50.917 52.037 0.108 0.000 0.698 284 A CB 1.912 20.983 19.000 0.119 0.000 1.261 284 A HN 0.344 nan 8.150 nan 0.000 0.405 285 P HA 0.521 nan 4.420 nan 0.000 0.282 285 P C -1.157 176.277 177.300 0.225 0.000 1.249 285 P CA -0.207 62.986 63.100 0.155 0.000 0.806 285 P CB 0.720 32.472 31.700 0.087 0.000 0.984 286 F N 1.582 121.549 119.950 0.030 0.000 2.460 286 F HA 0.515 5.041 4.527 -0.001 0.000 0.341 286 F C -0.579 175.170 175.800 -0.085 0.000 1.130 286 F CA -0.296 57.679 58.000 -0.043 0.000 0.962 286 F CB 1.419 40.324 39.000 -0.158 0.000 1.171 286 F HN 0.232 nan 8.300 nan 0.000 0.436 287 S N 5.656 121.002 115.700 -0.589 0.000 2.677 287 S HA 0.818 5.288 4.470 -0.001 0.000 0.283 287 S C -1.988 172.264 174.600 -0.579 0.000 1.159 287 S CA -0.445 57.475 58.200 -0.467 0.000 1.001 287 S CB 1.084 64.145 63.200 -0.232 0.000 1.032 287 S HN 0.440 nan 8.310 nan 0.000 0.487 288 V N 4.783 124.372 119.914 -0.541 0.000 2.577 288 V HA 0.511 4.631 4.120 -0.001 0.000 0.303 288 V C -0.253 175.648 176.094 -0.322 0.000 1.042 288 V CA -0.873 61.178 62.300 -0.415 0.000 0.872 288 V CB 1.795 33.374 31.823 -0.406 0.000 0.998 288 V HN 0.877 nan 8.190 nan 0.000 0.423 289 E N 1.570 121.629 120.200 -0.235 0.000 2.343 289 E HA 0.347 4.696 4.350 -0.001 0.000 0.269 289 E C 0.268 176.765 176.600 -0.171 0.000 1.047 289 E CA -0.209 56.075 56.400 -0.193 0.000 0.874 289 E CB 1.057 30.671 29.700 -0.142 0.000 1.033 289 E HN 0.751 nan 8.360 nan 0.000 0.409 290 S N 0.825 116.427 115.700 -0.163 0.000 3.477 290 S HA -0.154 4.315 4.470 -0.001 0.000 0.371 290 S C 1.185 175.714 174.600 -0.118 0.000 0.965 290 S CA 0.178 58.301 58.200 -0.127 0.000 1.239 290 S CB -1.263 61.886 63.200 -0.086 0.000 0.918 290 S HN 0.445 nan 8.310 nan 0.000 0.498 291 V N -0.265 119.553 119.914 -0.161 0.000 2.295 291 V HA 0.027 4.146 4.120 -0.001 0.000 0.246 291 V C 1.081 177.140 176.094 -0.058 0.000 1.049 291 V CA 2.085 64.315 62.300 -0.118 0.000 1.024 291 V CB -0.208 31.510 31.823 -0.175 0.000 0.648 291 V HN 0.788 nan 8.190 nan 0.000 0.447 292 M N -0.237 119.320 119.600 -0.071 0.000 2.325 292 M HA 0.329 4.808 4.480 -0.001 0.000 0.285 292 M C -0.937 175.341 176.300 -0.035 0.000 1.119 292 M CA -0.456 54.829 55.300 -0.024 0.000 0.959 292 M CB 1.762 34.369 32.600 0.012 0.000 1.737 292 M HN 0.306 nan 8.290 nan 0.000 0.486 293 N N 2.293 120.984 118.700 -0.016 0.000 2.708 293 N HA -0.198 4.541 4.740 -0.001 0.000 0.249 293 N C -0.717 174.774 175.510 -0.033 0.000 1.097 293 N CA 1.676 54.718 53.050 -0.014 0.000 0.710 293 N CB -1.338 37.148 38.487 -0.001 0.000 1.032 293 N HN 0.952 nan 8.380 nan 0.000 0.551 294 D N -2.666 117.704 120.400 -0.049 0.000 3.012 294 D HA -0.165 4.474 4.640 -0.001 0.000 0.222 294 D C -0.557 175.687 176.300 -0.093 0.000 1.167 294 D CA 0.900 54.861 54.000 -0.064 0.000 0.854 294 D CB -1.273 39.500 40.800 -0.044 0.000 1.107 294 D HN 0.287 nan 8.370 nan 0.000 0.421 295 V N 1.478 121.319 119.914 -0.123 0.000 2.406 295 V HA 0.125 4.245 4.120 -0.001 0.000 0.272 295 V C 0.596 176.506 176.094 -0.307 0.000 1.043 295 V CA -0.426 61.761 62.300 -0.188 0.000 0.915 295 V CB 1.637 33.353 31.823 -0.178 0.000 0.988 295 V HN -0.031 nan 8.190 nan 0.000 0.466 296 D N 3.563 123.773 120.400 -0.317 0.000 2.304 296 D HA 0.386 5.026 4.640 -0.001 0.000 0.250 296 D C 0.052 175.943 176.300 -0.681 0.000 1.107 296 D CA 0.045 53.813 54.000 -0.386 0.000 0.885 296 D CB 2.008 42.657 40.800 -0.252 0.000 1.192 296 D HN 0.460 nan 8.370 nan 0.000 0.436 297 V N -0.918 118.535 119.914 -0.768 0.000 2.667 297 V HA 0.806 4.926 4.120 -0.001 0.000 0.308 297 V C -0.206 175.606 176.094 -0.469 0.000 1.048 297 V CA -0.643 61.018 62.300 -1.064 0.000 0.928 297 V CB 2.037 32.955 31.823 -1.509 0.000 1.004 297 V HN 0.425 nan 8.190 nan 0.000 0.444 298 S N 2.088 117.715 115.700 -0.122 0.000 2.706 298 S HA 0.702 5.172 4.470 -0.001 0.000 0.270 298 S C -0.665 174.064 174.600 0.215 0.000 1.163 298 S CA 0.128 58.348 58.200 0.034 0.000 1.042 298 S CB 1.266 64.487 63.200 0.036 0.000 1.079 298 S HN 1.406 nan 8.310 nan 0.000 0.474 299 S N 2.417 118.264 115.700 0.245 0.000 3.144 299 S HA 0.830 5.299 4.470 -0.001 0.000 0.325 299 S C -2.077 172.705 174.600 0.304 0.000 1.161 299 S CA -0.422 57.971 58.200 0.321 0.000 0.920 299 S CB 1.478 64.946 63.200 0.447 0.000 1.340 299 S HN 0.902 nan 8.310 nan 0.000 0.681 300 Q N 0.481 120.500 119.800 0.366 0.000 2.633 300 Q HA 0.677 5.017 4.340 -0.001 0.000 0.289 300 Q C -2.247 173.963 176.000 0.351 0.000 0.940 300 Q CA -0.804 55.195 55.803 0.326 0.000 0.785 300 Q CB 1.371 30.232 28.738 0.204 0.000 1.467 300 Q HN 0.575 nan 8.270 nan 0.000 0.401 301 L N 1.173 122.539 121.223 0.239 0.000 2.472 301 L HA 0.598 4.937 4.340 -0.001 0.000 0.260 301 L C -1.027 175.870 176.870 0.046 0.000 0.963 301 L CA 0.046 54.942 54.840 0.094 0.000 0.829 301 L CB 2.382 44.448 42.059 0.010 0.000 1.348 301 L HN 0.943 nan 8.230 nan 0.000 0.408 302 S N 3.463 119.159 115.700 -0.006 0.000 2.654 302 S HA 0.491 4.960 4.470 -0.001 0.000 0.283 302 S C 1.032 175.619 174.600 -0.021 0.000 1.180 302 S CA -0.328 57.871 58.200 -0.002 0.000 1.021 302 S CB 1.594 64.792 63.200 -0.003 0.000 1.018 302 S HN 0.833 nan 8.310 nan 0.000 0.532 303 R N 0.720 121.218 120.500 -0.003 0.000 2.103 303 R HA -0.175 4.165 4.340 -0.001 0.000 0.242 303 R C 2.166 178.457 176.300 -0.014 0.000 1.142 303 R CA 2.037 58.135 56.100 -0.002 0.000 0.960 303 R CB -0.504 29.801 30.300 0.008 0.000 0.858 303 R HN 0.948 nan 8.270 nan 0.000 0.439 304 E N 0.294 120.483 120.200 -0.018 0.000 2.058 304 E HA -0.234 4.115 4.350 -0.001 0.000 0.194 304 E C 1.671 178.238 176.600 -0.055 0.000 0.997 304 E CA 1.696 58.080 56.400 -0.026 0.000 0.801 304 E CB 0.054 29.742 29.700 -0.019 0.000 0.746 304 E HN 0.473 nan 8.360 nan 0.000 0.450 305 E N 0.208 120.360 120.200 -0.081 0.000 2.110 305 E HA -0.209 4.140 4.350 -0.001 0.000 0.193 305 E C 2.122 178.607 176.600 -0.191 0.000 0.988 305 E CA 0.966 57.278 56.400 -0.148 0.000 0.804 305 E CB -0.103 29.483 29.700 -0.190 0.000 0.745 305 E HN 0.207 nan 8.360 nan 0.000 0.458 306 L N 1.615 122.750 121.223 -0.146 0.000 2.017 306 L HA -0.183 4.156 4.340 -0.001 0.000 0.208 306 L C 1.826 178.648 176.870 -0.079 0.000 1.073 306 L CA 1.872 56.639 54.840 -0.120 0.000 0.745 306 L CB -0.314 41.724 42.059 -0.034 0.000 0.894 306 L HN 0.011 nan 8.230 nan 0.000 0.432 307 E N -0.621 119.561 120.200 -0.031 0.000 2.130 307 E HA -0.315 4.035 4.350 -0.001 0.000 0.196 307 E C 2.052 178.609 176.600 -0.071 0.000 0.998 307 E CA 1.442 57.831 56.400 -0.019 0.000 0.806 307 E CB -0.130 29.576 29.700 0.009 0.000 0.738 307 E HN 0.541 nan 8.360 nan 0.000 0.459 308 E N 0.997 121.144 120.200 -0.088 0.000 2.077 308 E HA -0.141 4.208 4.350 -0.001 0.000 0.193 308 E C 1.899 178.418 176.600 -0.135 0.000 0.989 308 E CA 0.892 57.233 56.400 -0.100 0.000 0.800 308 E CB -0.168 29.476 29.700 -0.093 0.000 0.746 308 E HN 0.227 nan 8.360 nan 0.000 0.452 309 L N -0.025 121.092 121.223 -0.178 0.000 2.191 309 L HA -0.111 4.228 4.340 -0.001 0.000 0.212 309 L C 1.946 178.678 176.870 -0.231 0.000 1.103 309 L CA 1.176 55.893 54.840 -0.205 0.000 0.769 309 L CB -0.373 41.532 42.059 -0.256 0.000 0.908 309 L HN 0.197 nan 8.230 nan 0.000 0.438 310 V N -5.212 114.539 119.914 -0.271 0.000 3.376 310 V HA 0.099 4.218 4.120 -0.001 0.000 0.313 310 V C 1.941 177.874 176.094 -0.267 0.000 1.393 310 V CA -0.127 61.942 62.300 -0.385 0.000 1.125 310 V CB -0.000 31.379 31.823 -0.740 0.000 1.037 310 V HN 0.242 nan 8.190 nan 0.000 0.440 311 K N 1.723 122.023 120.400 -0.168 0.000 2.052 311 K HA -0.163 4.156 4.320 -0.001 0.000 0.215 311 K C -0.313 176.232 176.600 -0.092 0.000 1.053 311 K CA 2.713 58.939 56.287 -0.103 0.000 0.934 311 K CB -1.110 31.344 32.500 -0.077 0.000 0.717 311 K HN 0.474 nan 8.250 nan 0.000 0.450 312 P HA -0.170 nan 4.420 nan 0.000 0.218 312 P C 1.157 178.406 177.300 -0.085 0.000 1.148 312 P CA 0.934 63.984 63.100 -0.082 0.000 0.822 312 P CB 0.066 31.710 31.700 -0.093 0.000 0.784 313 L N -1.013 120.110 121.223 -0.166 0.000 2.072 313 L HA -0.041 4.299 4.340 -0.001 0.000 0.205 313 L C 2.014 178.848 176.870 -0.061 0.000 1.079 313 L CA 1.633 56.340 54.840 -0.220 0.000 0.752 313 L CB -1.152 40.597 42.059 -0.516 0.000 0.906 313 L HN -0.147 nan 8.230 nan 0.000 0.436 314 L N -0.634 120.560 121.223 -0.049 0.000 2.456 314 L HA -0.122 4.218 4.340 -0.001 0.000 0.224 314 L C 2.179 179.128 176.870 0.133 0.000 1.148 314 L CA 0.598 55.508 54.840 0.115 0.000 0.825 314 L CB -0.688 41.409 42.059 0.063 0.000 0.937 314 L HN 0.379 nan 8.230 nan 0.000 0.450 315 E N 0.493 120.740 120.200 0.079 0.000 2.265 315 E HA -0.163 4.186 4.350 -0.001 0.000 0.196 315 E C 1.685 178.349 176.600 0.106 0.000 0.996 315 E CA 0.730 57.172 56.400 0.070 0.000 0.832 315 E CB 0.034 29.755 29.700 0.034 0.000 0.756 315 E HN 0.487 nan 8.360 nan 0.000 0.491 316 R N 0.332 120.940 120.500 0.179 0.000 2.359 316 R HA 0.093 4.432 4.340 -0.001 0.000 0.231 316 R C 1.901 178.340 176.300 0.231 0.000 0.913 316 R CA -0.074 56.143 56.100 0.195 0.000 1.075 316 R CB 0.416 30.861 30.300 0.243 0.000 1.087 316 R HN 0.014 nan 8.270 nan 0.000 0.515 317 V N 1.468 121.550 119.914 0.280 0.000 2.759 317 V HA -0.162 3.957 4.120 -0.001 0.000 0.256 317 V C 1.955 178.151 176.094 0.171 0.000 1.080 317 V CA 2.408 64.873 62.300 0.274 0.000 1.101 317 V CB -0.012 31.991 31.823 0.300 0.000 0.698 317 V HN 0.441 nan 8.190 nan 0.000 0.477 318 T N -4.424 110.179 114.554 0.081 0.000 3.060 318 T HA 0.116 4.465 4.350 -0.001 0.000 0.249 318 T C 1.417 176.083 174.700 -0.058 0.000 1.079 318 T CA 0.575 62.680 62.100 0.007 0.000 1.013 318 T CB 0.042 68.896 68.868 -0.023 0.000 0.975 318 T HN 0.569 nan 8.240 nan 0.000 0.518 319 E N 2.226 122.391 120.200 -0.059 0.000 2.058 319 E HA -0.075 4.274 4.350 -0.001 0.000 0.194 319 E C -0.684 175.816 176.600 -0.167 0.000 0.997 319 E CA 1.474 57.818 56.400 -0.094 0.000 0.801 319 E CB -0.974 28.690 29.700 -0.061 0.000 0.746 319 E HN 0.466 nan 8.360 nan 0.000 0.450 320 P HA -0.171 nan 4.420 nan 0.000 0.216 320 P C 1.748 178.937 177.300 -0.185 0.000 1.150 320 P CA 1.026 63.914 63.100 -0.353 0.000 0.837 320 P CB -0.062 31.140 31.700 -0.830 0.000 0.786 321 V N -1.624 118.195 119.914 -0.158 0.000 2.453 321 V HA -0.188 3.931 4.120 -0.001 0.000 0.247 321 V C 1.912 177.896 176.094 -0.183 0.000 1.048 321 V CA 2.646 64.843 62.300 -0.171 0.000 1.049 321 V CB -1.717 29.849 31.823 -0.429 0.000 0.672 321 V HN 0.066 nan 8.190 nan 0.000 0.457 322 T N 0.322 114.781 114.554 -0.160 0.000 2.708 322 T HA -0.169 4.181 4.350 -0.001 0.000 0.266 322 T C 1.894 176.553 174.700 -0.068 0.000 1.037 322 T CA 2.314 64.346 62.100 -0.113 0.000 1.146 322 T CB -0.262 68.552 68.868 -0.089 0.000 0.865 322 T HN 0.556 nan 8.240 nan 0.000 0.435 323 K N 0.855 121.217 120.400 -0.063 0.000 2.155 323 K HA 0.157 4.476 4.320 -0.001 0.000 0.203 323 K C 2.536 179.127 176.600 -0.015 0.000 1.052 323 K CA 0.932 57.198 56.287 -0.035 0.000 0.948 323 K CB -0.165 32.311 32.500 -0.040 0.000 0.728 323 K HN 0.250 nan 8.250 nan 0.000 0.448 324 A N 1.144 123.958 122.820 -0.010 0.000 1.873 324 A HA -0.095 4.224 4.320 -0.001 0.000 0.215 324 A C 2.080 179.690 177.584 0.044 0.000 1.186 324 A CA 1.100 53.155 52.037 0.031 0.000 0.616 324 A CB -0.617 18.424 19.000 0.069 0.000 0.823 324 A HN 0.139 nan 8.150 nan 0.000 0.442 325 L N -0.611 120.632 121.223 0.034 0.000 2.042 325 L HA -0.235 4.105 4.340 -0.001 0.000 0.210 325 L C 3.068 179.952 176.870 0.024 0.000 1.076 325 L CA 1.184 56.046 54.840 0.038 0.000 0.749 325 L CB -0.481 41.581 42.059 0.005 0.000 0.893 325 L HN 0.448 nan 8.230 nan 0.000 0.432 326 A N -0.885 121.940 122.820 0.008 0.000 1.930 326 A HA -0.252 4.067 4.320 -0.001 0.000 0.217 326 A C 2.263 179.859 177.584 0.020 0.000 1.175 326 A CA 1.595 53.639 52.037 0.010 0.000 0.627 326 A CB -0.483 18.518 19.000 0.002 0.000 0.815 326 A HN 0.473 nan 8.150 nan 0.000 0.443 327 Q N -0.590 119.223 119.800 0.022 0.000 2.084 327 Q HA -0.107 4.232 4.340 -0.001 0.000 0.202 327 Q C 2.107 178.128 176.000 0.035 0.000 0.978 327 Q CA 1.406 57.225 55.803 0.027 0.000 0.844 327 Q CB -0.304 28.448 28.738 0.023 0.000 0.898 327 Q HN 0.608 nan 8.270 nan 0.000 0.426 328 A N 0.572 123.416 122.820 0.040 0.000 2.121 328 A HA -0.101 4.219 4.320 -0.001 0.000 0.218 328 A C 0.548 178.156 177.584 0.040 0.000 1.154 328 A CA 0.987 53.051 52.037 0.045 0.000 0.679 328 A CB -0.192 18.844 19.000 0.060 0.000 0.795 328 A HN 0.488 nan 8.150 nan 0.000 0.458 329 K N -1.803 118.618 120.400 0.035 0.000 3.096 329 K HA -0.156 4.163 4.320 -0.001 0.000 0.266 329 K C -0.983 175.636 176.600 0.031 0.000 1.043 329 K CA 0.669 56.974 56.287 0.030 0.000 0.758 329 K CB -1.840 30.678 32.500 0.029 0.000 1.260 329 K HN 0.535 nan 8.250 nan 0.000 0.481 330 L N 0.166 121.411 121.223 0.036 0.000 2.354 330 L HA 0.410 4.750 4.340 -0.001 0.000 0.269 330 L C 0.735 177.627 176.870 0.035 0.000 1.005 330 L CA -0.903 53.961 54.840 0.040 0.000 0.819 330 L CB 1.984 44.077 42.059 0.057 0.000 1.311 330 L HN 0.212 nan 8.230 nan 0.000 0.423 331 S N 1.064 116.783 115.700 0.030 0.000 2.617 331 S HA 0.416 4.885 4.470 -0.001 0.000 0.269 331 S C 1.128 175.756 174.600 0.047 0.000 1.292 331 S CA 0.010 58.225 58.200 0.025 0.000 1.010 331 S CB 1.686 64.895 63.200 0.016 0.000 0.944 331 S HN 0.731 nan 8.310 nan 0.000 0.536 332 A N 1.237 124.082 122.820 0.042 0.000 1.978 332 A HA -0.141 4.178 4.320 -0.001 0.000 0.220 332 A C 2.122 179.776 177.584 0.117 0.000 1.170 332 A CA 1.709 53.808 52.037 0.103 0.000 0.636 332 A CB -1.132 17.893 19.000 0.042 0.000 0.810 332 A HN 1.032 nan 8.150 nan 0.000 0.448 333 E N -0.104 120.129 120.200 0.055 0.000 2.427 333 E HA -0.124 4.225 4.350 -0.001 0.000 0.196 333 E C 1.166 177.770 176.600 0.007 0.000 1.028 333 E CA 0.944 57.359 56.400 0.025 0.000 0.864 333 E CB -0.276 29.430 29.700 0.010 0.000 0.813 333 E HN 0.746 nan 8.360 nan 0.000 0.514 334 E N 1.300 121.513 120.200 0.023 0.000 2.481 334 E HA 0.003 4.352 4.350 -0.001 0.000 0.195 334 E C 0.749 177.353 176.600 0.007 0.000 1.047 334 E CA 0.322 56.730 56.400 0.013 0.000 0.867 334 E CB 0.738 30.453 29.700 0.026 0.000 0.858 334 E HN 0.229 nan 8.360 nan 0.000 0.513 335 V N -0.098 119.824 119.914 0.013 0.000 2.546 335 V HA 0.080 4.199 4.120 -0.001 0.000 0.284 335 V C 0.449 176.461 176.094 -0.137 0.000 1.050 335 V CA -0.314 61.968 62.300 -0.029 0.000 0.981 335 V CB 1.622 33.437 31.823 -0.013 0.000 0.990 335 V HN -0.080 nan 8.190 nan 0.000 0.474 336 D N 3.805 124.093 120.400 -0.187 0.000 2.201 336 D HA 0.154 4.793 4.640 -0.001 0.000 0.209 336 D C -0.100 175.682 176.300 -0.864 0.000 0.961 336 D CA 1.591 55.315 54.000 -0.460 0.000 0.861 336 D CB 0.279 40.887 40.800 -0.320 0.000 0.997 336 D HN 0.584 nan 8.370 nan 0.000 0.486 337 F N -0.127 119.719 119.950 -0.173 0.000 2.588 337 F HA 0.358 4.885 4.527 -0.001 0.000 0.310 337 F C -0.379 175.172 175.800 -0.414 0.000 1.082 337 F CA -1.111 56.742 58.000 -0.244 0.000 0.929 337 F CB 2.131 41.006 39.000 -0.208 0.000 1.254 337 F HN -0.443 nan 8.300 nan 0.000 0.455 338 V N 2.290 122.059 119.914 -0.242 0.000 2.378 338 V HA 0.442 4.561 4.120 -0.001 0.000 0.288 338 V C -0.617 175.290 176.094 -0.313 0.000 1.016 338 V CA -0.717 61.310 62.300 -0.455 0.000 0.840 338 V CB 1.358 32.852 31.823 -0.548 0.000 0.994 338 V HN 0.591 nan 8.190 nan 0.000 0.431 339 E N 5.096 125.042 120.200 -0.424 0.000 2.171 339 E HA 0.570 4.919 4.350 -0.001 0.000 0.271 339 E C -0.642 175.881 176.600 -0.129 0.000 0.916 339 E CA -0.468 55.757 56.400 -0.291 0.000 0.774 339 E CB 3.012 32.435 29.700 -0.463 0.000 1.128 339 E HN 0.771 nan 8.360 nan 0.000 0.403 340 I N 0.605 121.148 120.570 -0.046 0.000 2.493 340 I HA 0.662 4.832 4.170 -0.001 0.000 0.298 340 I C 0.001 176.134 176.117 0.026 0.000 0.998 340 I CA -0.947 60.354 61.300 0.003 0.000 1.137 340 I CB 1.273 39.265 38.000 -0.013 0.000 1.310 340 I HN 0.462 nan 8.210 nan 0.000 0.445 341 I N 1.597 122.193 120.570 0.044 0.000 3.279 341 I HA 1.033 5.202 4.170 -0.001 0.000 0.315 341 I C -0.008 176.123 176.117 0.022 0.000 1.187 341 I CA -1.047 60.273 61.300 0.032 0.000 0.953 341 I CB 1.974 40.003 38.000 0.049 0.000 1.279 341 I HN 1.068 nan 8.210 nan 0.000 0.465 342 G N 0.759 109.566 108.800 0.012 0.000 2.785 342 G HA2 0.092 4.051 3.960 -0.001 0.000 0.686 342 G HA3 0.092 4.051 3.960 -0.001 0.000 0.686 342 G C 0.385 175.284 174.900 -0.002 0.000 1.155 342 G CA -0.312 44.797 45.100 0.014 0.000 0.760 342 G HN 1.501 nan 8.290 nan 0.000 0.624 343 G N -0.328 108.474 108.800 0.002 0.000 2.432 343 G HA2 0.034 3.993 3.960 -0.001 0.000 0.219 343 G HA3 0.034 3.993 3.960 -0.001 0.000 0.219 343 G C 1.683 176.559 174.900 -0.040 0.000 1.135 343 G CA 2.255 47.348 45.100 -0.013 0.000 0.767 343 G HN 1.253 nan 8.290 nan 0.000 0.550 344 T N 0.944 115.472 114.554 -0.043 0.000 3.088 344 T HA -0.025 4.324 4.350 -0.001 0.000 0.259 344 T C 2.573 177.202 174.700 -0.119 0.000 1.122 344 T CA 1.406 63.443 62.100 -0.105 0.000 1.095 344 T CB -0.223 68.599 68.868 -0.075 0.000 0.930 344 T HN 0.540 nan 8.240 nan 0.000 0.508 345 T N 0.356 114.862 114.554 -0.080 0.000 3.155 345 T HA 0.010 4.360 4.350 -0.001 0.000 0.264 345 T C 1.715 176.374 174.700 -0.069 0.000 1.160 345 T CA 0.421 62.474 62.100 -0.077 0.000 1.075 345 T CB -0.303 68.533 68.868 -0.053 0.000 0.921 345 T HN 0.323 nan 8.240 nan 0.000 0.533 346 R N 0.257 120.711 120.500 -0.077 0.000 2.276 346 R HA 0.278 4.617 4.340 -0.001 0.000 0.203 346 R C 0.355 176.605 176.300 -0.084 0.000 1.017 346 R CA 0.222 56.280 56.100 -0.069 0.000 1.010 346 R CB -0.217 30.046 30.300 -0.062 0.000 0.900 346 R HN 0.481 nan 8.270 nan 0.000 0.469 347 I N 2.408 122.903 120.570 -0.124 0.000 2.379 347 I HA 0.054 4.223 4.170 -0.001 0.000 0.290 347 I C -1.530 174.550 176.117 -0.062 0.000 1.063 347 I CA -1.983 59.236 61.300 -0.135 0.000 1.351 347 I CB 1.251 39.080 38.000 -0.284 0.000 1.410 347 I HN -0.231 nan 8.210 nan 0.000 0.505 348 P HA -0.239 nan 4.420 nan 0.000 0.216 348 P C 1.719 179.027 177.300 0.013 0.000 1.154 348 P CA 1.485 64.580 63.100 -0.007 0.000 0.865 348 P CB 0.166 31.865 31.700 -0.002 0.000 0.789 349 T N -1.636 112.937 114.554 0.031 0.000 2.833 349 T HA -0.093 4.257 4.350 -0.001 0.000 0.269 349 T C 1.653 176.395 174.700 0.071 0.000 1.054 349 T CA 0.964 63.100 62.100 0.061 0.000 1.135 349 T CB -0.742 68.182 68.868 0.094 0.000 0.869 349 T HN -0.065 nan 8.240 nan 0.000 0.466 350 L N 0.055 121.315 121.223 0.062 0.000 2.072 350 L HA -0.005 4.334 4.340 -0.001 0.000 0.205 350 L C 2.901 179.777 176.870 0.010 0.000 1.079 350 L CA 1.332 56.200 54.840 0.047 0.000 0.752 350 L CB -0.427 41.641 42.059 0.014 0.000 0.906 350 L HN 0.212 nan 8.230 nan 0.000 0.436 351 K N 0.066 120.468 120.400 0.002 0.000 2.057 351 K HA -0.250 4.069 4.320 -0.001 0.000 0.207 351 K C 2.094 178.712 176.600 0.030 0.000 1.049 351 K CA 1.660 57.952 56.287 0.009 0.000 0.931 351 K CB -0.141 32.358 32.500 -0.001 0.000 0.714 351 K HN 0.253 nan 8.250 nan 0.000 0.440 352 Q N 1.174 120.992 119.800 0.031 0.000 2.050 352 Q HA -0.116 4.223 4.340 -0.001 0.000 0.202 352 Q C 1.970 177.997 176.000 0.045 0.000 0.980 352 Q CA 2.215 58.039 55.803 0.036 0.000 0.840 352 Q CB -0.171 28.587 28.738 0.032 0.000 0.898 352 Q HN 0.042 nan 8.270 nan 0.000 0.424 353 S N 0.430 116.160 115.700 0.050 0.000 2.356 353 S HA -0.134 4.335 4.470 -0.001 0.000 0.223 353 S C 1.871 176.506 174.600 0.058 0.000 1.032 353 S CA 1.322 59.554 58.200 0.054 0.000 1.005 353 S CB -0.546 62.697 63.200 0.072 0.000 0.867 353 S HN 0.661 nan 8.310 nan 0.000 0.449 354 I N 0.355 120.969 120.570 0.073 0.000 2.439 354 I HA -0.001 4.168 4.170 -0.001 0.000 0.251 354 I C 2.157 178.399 176.117 0.208 0.000 1.139 354 I CA 1.558 62.938 61.300 0.133 0.000 1.438 354 I CB -0.580 37.518 38.000 0.163 0.000 1.085 354 I HN 0.167 nan 8.210 nan 0.000 0.427 355 S N 0.548 116.333 115.700 0.142 0.000 2.382 355 S HA -0.245 4.224 4.470 -0.001 0.000 0.228 355 S C 2.077 176.746 174.600 0.114 0.000 1.027 355 S CA 1.671 59.952 58.200 0.134 0.000 0.991 355 S CB -0.529 62.715 63.200 0.074 0.000 0.823 355 S HN 0.713 nan 8.310 nan 0.000 0.469 356 E N 1.352 121.595 120.200 0.071 0.000 2.106 356 E HA 0.047 4.396 4.350 -0.001 0.000 0.192 356 E C 1.922 178.532 176.600 0.017 0.000 0.984 356 E CA 1.453 57.877 56.400 0.041 0.000 0.806 356 E CB -0.694 29.022 29.700 0.027 0.000 0.750 356 E HN 0.504 nan 8.360 nan 0.000 0.458 357 A N -0.746 122.063 122.820 -0.018 0.000 1.969 357 A HA -0.062 4.258 4.320 -0.001 0.000 0.218 357 A C 1.851 179.296 177.584 -0.232 0.000 1.169 357 A CA 1.166 53.116 52.037 -0.145 0.000 0.635 357 A CB -0.632 18.230 19.000 -0.229 0.000 0.810 357 A HN 0.346 nan 8.150 nan 0.000 0.445 358 F N -0.954 118.998 119.950 0.003 0.000 2.473 358 F HA 0.310 4.836 4.527 -0.001 0.000 0.294 358 F C 1.909 177.698 175.800 -0.017 0.000 1.103 358 F CA 0.635 58.630 58.000 -0.009 0.000 1.442 358 F CB -0.120 38.871 39.000 -0.015 0.000 1.097 358 F HN 0.353 nan 8.300 nan 0.000 0.547 359 G N 1.312 110.201 108.800 0.147 0.000 2.182 359 G HA2 -0.289 3.671 3.960 -0.001 0.000 0.248 359 G HA3 -0.289 3.671 3.960 -0.001 0.000 0.248 359 G C 0.073 175.013 174.900 0.067 0.000 1.042 359 G CA 0.084 45.232 45.100 0.080 0.000 0.775 359 G HN 0.358 nan 8.290 nan 0.000 0.501 360 K N 0.060 120.511 120.400 0.085 0.000 2.525 360 K HA 0.461 4.780 4.320 -0.001 0.000 0.254 360 K C -2.580 174.036 176.600 0.027 0.000 0.934 360 K CA -2.026 54.278 56.287 0.029 0.000 0.802 360 K CB 2.870 35.359 32.500 -0.018 0.000 1.295 360 K HN -0.020 nan 8.250 nan 0.000 0.433 361 P HA 0.016 nan 4.420 nan 0.000 0.268 361 P C -0.691 176.611 177.300 0.004 0.000 1.208 361 P CA 0.004 63.114 63.100 0.015 0.000 0.777 361 P CB 0.522 32.232 31.700 0.018 0.000 0.875 362 L N 1.218 122.444 121.223 0.004 0.000 2.312 362 L HA 0.279 4.618 4.340 -0.001 0.000 0.281 362 L C 0.876 177.741 176.870 -0.008 0.000 1.070 362 L CA -0.265 54.565 54.840 -0.015 0.000 0.805 362 L CB 0.742 42.795 42.059 -0.010 0.000 1.174 362 L HN 0.313 nan 8.230 nan 0.000 0.434 363 S N 0.204 115.891 115.700 -0.022 0.000 2.565 363 S HA 0.456 4.925 4.470 -0.001 0.000 0.290 363 S C 0.428 175.010 174.600 -0.030 0.000 1.150 363 S CA -0.599 57.593 58.200 -0.013 0.000 1.058 363 S CB 1.591 64.789 63.200 -0.005 0.000 1.032 363 S HN 0.744 nan 8.310 nan 0.000 0.510 364 T N -1.290 113.251 114.554 -0.022 0.000 3.483 364 T HA 0.200 4.549 4.350 -0.001 0.000 0.258 364 T C 0.963 175.645 174.700 -0.031 0.000 1.013 364 T CA -0.571 61.514 62.100 -0.025 0.000 1.078 364 T CB -0.258 68.595 68.868 -0.026 0.000 1.111 364 T HN 0.413 nan 8.240 nan 0.000 0.538 365 T N 2.218 116.763 114.554 -0.015 0.000 2.720 365 T HA 0.076 4.425 4.350 -0.001 0.000 0.268 365 T C 0.798 175.438 174.700 -0.100 0.000 1.037 365 T CA 0.890 62.981 62.100 -0.015 0.000 1.144 365 T CB -0.247 68.663 68.868 0.071 0.000 0.864 365 T HN 0.466 nan 8.240 nan 0.000 0.444 366 L N 2.063 123.261 121.223 -0.042 0.000 2.375 366 L HA 0.296 4.635 4.340 -0.001 0.000 0.271 366 L C 0.722 177.529 176.870 -0.105 0.000 1.107 366 L CA -0.841 53.945 54.840 -0.091 0.000 0.806 366 L CB 0.395 42.475 42.059 0.035 0.000 1.146 366 L HN 0.158 nan 8.230 nan 0.000 0.447 367 N N 2.471 121.081 118.700 -0.150 0.000 2.440 367 N HA -0.094 4.646 4.740 -0.001 0.000 0.265 367 N C 0.780 176.251 175.510 -0.066 0.000 1.239 367 N CA 0.404 53.389 53.050 -0.109 0.000 0.909 367 N CB 1.068 39.482 38.487 -0.122 0.000 1.066 367 N HN 0.692 nan 8.380 nan 0.000 0.474 368 Q N 2.759 122.531 119.800 -0.048 0.000 2.197 368 Q HA -0.202 4.137 4.340 -0.001 0.000 0.207 368 Q C -0.248 175.737 176.000 -0.025 0.000 0.984 368 Q CA 1.745 57.531 55.803 -0.028 0.000 0.869 368 Q CB 0.303 29.024 28.738 -0.027 0.000 0.906 368 Q HN 0.617 nan 8.270 nan 0.000 0.426 369 D N -1.272 119.108 120.400 -0.033 0.000 2.454 369 D HA 0.038 4.677 4.640 -0.001 0.000 0.219 369 D C 0.763 177.044 176.300 -0.031 0.000 1.081 369 D CA 0.365 54.349 54.000 -0.027 0.000 0.867 369 D CB 0.366 41.151 40.800 -0.024 0.000 1.054 369 D HN 0.353 nan 8.370 nan 0.000 0.500 370 E N 0.558 120.731 120.200 -0.045 0.000 2.447 370 E HA 0.235 4.585 4.350 -0.001 0.000 0.204 370 E C 1.846 178.408 176.600 -0.063 0.000 0.977 370 E CA 0.122 56.492 56.400 -0.049 0.000 0.950 370 E CB 0.580 30.247 29.700 -0.055 0.000 0.975 370 E HN 0.050 nan 8.360 nan 0.000 0.496 371 A N 1.602 124.378 122.820 -0.074 0.000 1.917 371 A HA -0.209 4.111 4.320 -0.001 0.000 0.219 371 A C 2.157 179.683 177.584 -0.096 0.000 1.182 371 A CA 1.242 53.225 52.037 -0.091 0.000 0.633 371 A CB -0.581 18.375 19.000 -0.073 0.000 0.819 371 A HN 0.143 nan 8.150 nan 0.000 0.448 372 I N -0.502 120.018 120.570 -0.082 0.000 2.163 372 I HA -0.257 3.912 4.170 -0.001 0.000 0.240 372 I C 3.008 179.076 176.117 -0.082 0.000 1.081 372 I CA 1.078 62.322 61.300 -0.093 0.000 1.353 372 I CB -0.399 37.552 38.000 -0.081 0.000 1.054 372 I HN 0.356 nan 8.210 nan 0.000 0.407 373 A N 0.793 123.579 122.820 -0.057 0.000 1.902 373 A HA -0.221 4.099 4.320 -0.001 0.000 0.217 373 A C 2.327 179.896 177.584 -0.026 0.000 1.181 373 A CA 1.638 53.653 52.037 -0.037 0.000 0.623 373 A CB -0.464 18.531 19.000 -0.008 0.000 0.818 373 A HN 0.316 nan 8.150 nan 0.000 0.443 374 K N -0.900 119.480 120.400 -0.034 0.000 2.057 374 K HA -0.097 4.222 4.320 -0.001 0.000 0.207 374 K C 2.167 178.757 176.600 -0.018 0.000 1.049 374 K CA 1.077 57.352 56.287 -0.021 0.000 0.931 374 K CB -0.482 31.990 32.500 -0.048 0.000 0.714 374 K HN 0.475 nan 8.250 nan 0.000 0.440 375 G N 1.424 110.178 108.800 -0.077 0.000 2.440 375 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.218 375 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.218 375 G C 1.653 176.535 174.900 -0.030 0.000 1.154 375 G CA 1.046 46.081 45.100 -0.109 0.000 0.767 375 G HN 0.357 nan 8.290 nan 0.000 0.552 376 A N 1.067 123.859 122.820 -0.046 0.000 1.933 376 A HA 0.298 4.618 4.320 -0.001 0.000 0.218 376 A C 2.789 180.374 177.584 0.003 0.000 1.175 376 A CA 2.171 54.185 52.037 -0.038 0.000 0.628 376 A CB -0.680 18.269 19.000 -0.085 0.000 0.814 376 A HN 0.765 nan 8.150 nan 0.000 0.444 377 A N -1.365 121.474 122.820 0.032 0.000 1.930 377 A HA 0.007 4.327 4.320 -0.001 0.000 0.217 377 A C 2.030 179.671 177.584 0.094 0.000 1.175 377 A CA 1.420 53.495 52.037 0.063 0.000 0.627 377 A CB -0.653 18.397 19.000 0.083 0.000 0.815 377 A HN 0.675 nan 8.150 nan 0.000 0.443 378 F N 0.594 120.533 119.950 -0.018 0.000 2.146 378 F HA -0.111 4.415 4.527 -0.001 0.000 0.298 378 F C 1.887 177.710 175.800 0.038 0.000 1.096 378 F CA 1.693 59.692 58.000 -0.001 0.000 1.275 378 F CB -0.132 38.842 39.000 -0.042 0.000 1.008 378 F HN 0.168 nan 8.300 nan 0.000 0.480 379 I N -0.766 119.930 120.570 0.211 0.000 2.226 379 I HA -0.324 3.845 4.170 -0.001 0.000 0.245 379 I C 2.730 178.894 176.117 0.078 0.000 1.100 379 I CA 1.105 62.516 61.300 0.185 0.000 1.374 379 I CB -0.769 37.355 38.000 0.206 0.000 1.057 379 I HN 0.346 nan 8.210 nan 0.000 0.413 380 C N 0.926 120.247 119.300 0.034 0.000 2.422 380 C HA -0.102 4.357 4.460 -0.001 0.000 0.279 380 C C 3.046 178.045 174.990 0.016 0.000 1.305 380 C CA 1.109 60.137 59.018 0.015 0.000 1.757 380 C CB -1.012 26.726 27.740 -0.003 0.000 1.962 380 C HN 0.566 nan 8.230 nan 0.000 0.499 381 A N 0.636 123.420 122.820 -0.060 0.000 2.021 381 A HA 0.087 4.406 4.320 -0.001 0.000 0.216 381 A C 1.952 179.437 177.584 -0.165 0.000 1.163 381 A CA 1.260 53.229 52.037 -0.112 0.000 0.676 381 A CB -0.665 18.236 19.000 -0.165 0.000 0.818 381 A HN 0.777 nan 8.150 nan 0.000 0.453 382 I N -3.095 117.340 120.570 -0.225 0.000 2.439 382 I HA -0.129 4.041 4.170 -0.001 0.000 0.251 382 I C 2.241 178.340 176.117 -0.031 0.000 1.139 382 I CA 1.983 63.186 61.300 -0.162 0.000 1.438 382 I CB -0.652 37.284 38.000 -0.106 0.000 1.085 382 I HN 0.363 nan 8.210 nan 0.000 0.427 383 H N 2.095 121.134 119.070 -0.051 0.000 2.267 383 H HA 0.094 4.649 4.556 -0.001 0.000 0.302 383 H C 1.007 176.319 175.328 -0.026 0.000 1.056 383 H CA 1.454 57.489 56.048 -0.022 0.000 1.269 383 H CB -0.200 29.559 29.762 -0.004 0.000 1.385 383 H HN 0.288 nan 8.280 nan 0.000 0.501 384 S N 1.070 116.856 115.700 0.143 0.000 2.885 384 S HA 0.055 4.524 4.470 -0.001 0.000 0.334 384 S C -1.524 173.071 174.600 -0.009 0.000 1.224 384 S CA 0.256 58.500 58.200 0.073 0.000 1.080 384 S CB 0.749 63.988 63.200 0.065 0.000 0.801 384 S HN 0.626 nan 8.310 nan 0.000 0.510 385 P HA 0.314 nan 4.420 nan 0.000 0.253 385 P C 0.850 178.139 177.300 -0.019 0.000 1.508 385 P CA 0.857 63.934 63.100 -0.037 0.000 0.883 385 P CB -0.791 30.881 31.700 -0.048 0.000 1.519 386 T N -1.905 112.643 114.554 -0.010 0.000 3.053 386 T HA 0.515 4.864 4.350 -0.001 0.000 0.236 386 T C 1.166 175.860 174.700 -0.010 0.000 0.996 386 T CA 1.097 63.193 62.100 -0.006 0.000 1.185 386 T CB -0.431 68.439 68.868 0.002 0.000 0.892 386 T HN 0.284 nan 8.240 nan 0.000 0.432 387 L N 1.942 123.157 121.223 -0.014 0.000 2.292 387 L HA 0.889 5.229 4.340 -0.001 0.000 0.284 387 L C 0.575 177.427 176.870 -0.030 0.000 1.065 387 L CA -0.861 53.968 54.840 -0.018 0.000 0.806 387 L CB -0.670 41.377 42.059 -0.020 0.000 1.175 387 L HN 0.837 nan 8.230 nan 0.000 0.431 388 R N 3.173 123.661 120.500 -0.020 0.000 2.294 388 R HA 0.787 5.126 4.340 -0.001 0.000 0.319 388 R C -0.443 175.852 176.300 -0.008 0.000 0.984 388 R CA 0.164 56.253 56.100 -0.018 0.000 0.861 388 R CB 0.773 31.070 30.300 -0.006 0.000 1.104 388 R HN 1.552 nan 8.270 nan 0.000 0.451 389 V N 1.350 121.254 119.914 -0.017 0.000 3.113 389 V HA 0.578 4.697 4.120 -0.001 0.000 0.316 389 V C 0.435 176.583 176.094 0.089 0.000 1.125 389 V CA -1.438 60.880 62.300 0.030 0.000 1.026 389 V CB 2.056 33.857 31.823 -0.037 0.000 1.080 389 V HN 0.900 nan 8.190 nan 0.000 0.444 390 R N 2.523 123.122 120.500 0.164 0.000 2.421 390 R HA 0.252 4.591 4.340 -0.001 0.000 0.305 390 R C -2.248 174.232 176.300 0.301 0.000 1.039 390 R CA -1.109 55.105 56.100 0.190 0.000 1.003 390 R CB 0.327 30.732 30.300 0.174 0.000 0.959 390 R HN 0.544 nan 8.270 nan 0.000 0.427 391 P HA -0.021 nan 4.420 nan 0.000 0.268 391 P C -1.032 176.512 177.300 0.407 0.000 1.205 391 P CA 0.226 63.492 63.100 0.276 0.000 0.771 391 P CB 0.496 32.281 31.700 0.141 0.000 0.858 392 F N 0.793 120.948 119.950 0.342 0.000 2.579 392 F HA 0.492 5.018 4.527 -0.001 0.000 0.325 392 F C -0.062 175.941 175.800 0.340 0.000 1.162 392 F CA -0.466 57.717 58.000 0.304 0.000 0.946 392 F CB 1.240 40.393 39.000 0.255 0.000 1.211 392 F HN 0.284 nan 8.300 nan 0.000 0.447 393 K N 5.432 125.726 120.400 -0.177 0.000 2.172 393 K HA 0.753 5.072 4.320 -0.001 0.000 0.276 393 K C -1.598 174.987 176.600 -0.025 0.000 1.013 393 K CA -0.175 56.065 56.287 -0.077 0.000 0.913 393 K CB 0.757 33.165 32.500 -0.154 0.000 1.055 393 K HN 0.691 nan 8.250 nan 0.000 0.461 394 F N -0.799 119.103 119.950 -0.079 0.000 2.574 394 F HA 0.581 5.107 4.527 -0.001 0.000 0.313 394 F C -0.446 175.273 175.800 -0.134 0.000 1.130 394 F CA -1.014 56.936 58.000 -0.084 0.000 0.936 394 F CB 1.811 40.844 39.000 0.056 0.000 1.219 394 F HN 0.536 nan 8.300 nan 0.000 0.445 395 E N 2.826 122.957 120.200 -0.116 0.000 2.158 395 E HA 0.271 4.620 4.350 -0.001 0.000 0.271 395 E C -1.438 175.024 176.600 -0.231 0.000 0.911 395 E CA -0.958 55.303 56.400 -0.231 0.000 0.767 395 E CB 2.142 31.742 29.700 -0.167 0.000 1.120 395 E HN 0.542 nan 8.360 nan 0.000 0.405 396 D N 1.952 122.056 120.400 -0.493 0.000 2.326 396 D HA 0.362 5.002 4.640 -0.001 0.000 0.251 396 D C -0.875 175.192 176.300 -0.388 0.000 1.023 396 D CA -0.698 52.996 54.000 -0.510 0.000 0.966 396 D CB 1.474 41.787 40.800 -0.812 0.000 1.156 396 D HN 0.341 nan 8.370 nan 0.000 0.494 397 I N 1.414 121.933 120.570 -0.085 0.000 2.396 397 I HA 0.110 4.279 4.170 -0.001 0.000 0.292 397 I C -0.371 175.939 176.117 0.322 0.000 0.999 397 I CA -0.455 60.904 61.300 0.099 0.000 1.310 397 I CB 0.810 38.847 38.000 0.062 0.000 1.404 397 I HN 0.291 nan 8.210 nan 0.000 0.496 398 H N 9.147 128.363 119.070 0.243 0.000 2.683 398 H HA 0.368 4.923 4.556 -0.001 0.000 0.270 398 H C -2.222 173.173 175.328 0.112 0.000 1.201 398 H CA -2.163 54.047 56.048 0.269 0.000 1.277 398 H CB 1.302 31.260 29.762 0.326 0.000 1.400 398 H HN 0.460 nan 8.280 nan 0.000 0.504 399 P HA -0.051 nan 4.420 nan 0.000 0.221 399 P C -0.441 176.702 177.300 -0.262 0.000 1.155 399 P CA 0.715 63.634 63.100 -0.301 0.000 0.812 399 P CB 0.345 31.681 31.700 -0.607 0.000 0.801 400 Y N -0.413 119.899 120.300 0.019 0.000 2.361 400 Y HA 0.450 5.000 4.550 -0.001 0.000 0.332 400 Y C 1.167 177.223 175.900 0.260 0.000 1.101 400 Y CA -1.442 56.717 58.100 0.098 0.000 1.137 400 Y CB 0.675 39.161 38.460 0.044 0.000 1.207 400 Y HN -0.246 nan 8.280 nan 0.000 0.463 401 S N 1.729 117.697 115.700 0.447 0.000 2.531 401 S HA 0.478 4.947 4.470 -0.001 0.000 0.279 401 S C -0.786 174.079 174.600 0.442 0.000 1.305 401 S CA -0.458 57.994 58.200 0.420 0.000 1.058 401 S CB -0.036 63.332 63.200 0.280 0.000 0.899 401 S HN 0.468 nan 8.310 nan 0.000 0.493 402 V N 5.179 125.363 119.914 0.451 0.000 2.444 402 V HA 0.459 4.579 4.120 -0.001 0.000 0.294 402 V C -0.099 176.150 176.094 0.258 0.000 1.022 402 V CA -0.595 61.880 62.300 0.290 0.000 0.850 402 V CB 1.912 33.864 31.823 0.214 0.000 0.992 402 V HN 0.941 nan 8.190 nan 0.000 0.426 403 S N 3.620 119.415 115.700 0.158 0.000 2.593 403 S HA 0.747 5.216 4.470 -0.001 0.000 0.297 403 S C -1.157 173.562 174.600 0.197 0.000 1.112 403 S CA -0.407 57.906 58.200 0.190 0.000 1.043 403 S CB 1.273 64.558 63.200 0.142 0.000 1.054 403 S HN 0.560 nan 8.310 nan 0.000 0.516 404 Y N 1.119 121.510 120.300 0.151 0.000 2.429 404 Y HA 0.513 5.062 4.550 -0.001 0.000 0.342 404 Y C 0.646 176.679 175.900 0.222 0.000 1.004 404 Y CA -0.496 57.747 58.100 0.238 0.000 1.075 404 Y CB 1.807 40.430 38.460 0.273 0.000 1.214 404 Y HN 0.741 nan 8.280 nan 0.000 0.455 405 S N 1.838 117.725 115.700 0.311 0.000 2.638 405 S HA 0.840 5.309 4.470 -0.001 0.000 0.302 405 S C -1.436 173.347 174.600 0.306 0.000 1.096 405 S CA -0.706 57.513 58.200 0.032 0.000 0.953 405 S CB 1.895 65.057 63.200 -0.064 0.000 1.107 405 S HN 0.746 nan 8.310 nan 0.000 0.503 406 W N -0.744 120.660 121.300 0.172 0.000 3.005 406 W HA 0.631 5.290 4.660 -0.001 0.000 0.343 406 W C -1.976 174.624 176.519 0.136 0.000 1.243 406 W CA -0.866 56.601 57.345 0.203 0.000 1.186 406 W CB -0.367 29.225 29.460 0.221 0.000 1.453 406 W HN 0.431 nan 8.180 nan 0.000 0.575 407 D N 1.602 122.254 120.400 0.419 0.000 2.450 407 D HA 0.217 4.857 4.640 -0.001 0.000 0.247 407 D C 1.489 177.924 176.300 0.226 0.000 1.162 407 D CA 0.865 55.010 54.000 0.242 0.000 0.879 407 D CB 1.207 42.155 40.800 0.247 0.000 1.163 407 D HN 0.717 nan 8.370 nan 0.000 0.472 408 K N 3.095 123.551 120.400 0.094 0.000 2.015 408 K HA -0.285 4.034 4.320 -0.001 0.000 0.216 408 K C 1.188 177.857 176.600 0.114 0.000 1.052 408 K CA 2.402 58.736 56.287 0.078 0.000 0.937 408 K CB -1.221 31.292 32.500 0.021 0.000 0.719 408 K HN 0.779 nan 8.250 nan 0.000 0.446 409 Q N -2.492 117.353 119.800 0.075 0.000 1.795 409 Q HA -0.235 4.104 4.340 -0.001 0.000 0.404 409 Q C 1.343 177.362 176.000 0.031 0.000 0.847 409 Q CA 2.051 57.880 55.803 0.044 0.000 0.799 409 Q CB -1.500 27.248 28.738 0.017 0.000 3.822 409 Q HN 0.352 nan 8.270 nan 0.000 0.742 410 V N 0.857 120.774 119.914 0.006 0.000 3.041 410 V HA -0.047 4.073 4.120 -0.001 0.000 0.260 410 V C 0.839 176.944 176.094 0.018 0.000 1.105 410 V CA 1.134 63.435 62.300 0.002 0.000 1.125 410 V CB -0.367 31.443 31.823 -0.021 0.000 0.730 410 V HN 0.291 nan 8.190 nan 0.000 0.479 411 E N 0.646 120.874 120.200 0.047 0.000 2.398 411 E HA 0.117 4.466 4.350 -0.001 0.000 0.263 411 E C 1.279 177.942 176.600 0.105 0.000 1.046 411 E CA 0.783 57.241 56.400 0.097 0.000 0.908 411 E CB 0.719 30.555 29.700 0.227 0.000 0.963 411 E HN 0.493 nan 8.360 nan 0.000 0.431 412 D N 2.887 123.344 120.400 0.095 0.000 2.084 412 D HA -0.081 4.558 4.640 -0.001 0.000 0.196 412 D C 0.958 177.304 176.300 0.076 0.000 0.985 412 D CA 1.948 55.990 54.000 0.071 0.000 0.826 412 D CB -0.088 40.746 40.800 0.057 0.000 0.978 412 D HN 0.576 nan 8.370 nan 0.000 0.456 413 E N 0.448 120.720 120.200 0.119 0.000 2.232 413 E HA 0.512 4.862 4.350 -0.001 0.000 0.264 413 E C -0.346 176.249 176.600 -0.008 0.000 0.973 413 E CA 0.070 56.508 56.400 0.063 0.000 0.849 413 E CB 1.166 30.909 29.700 0.072 0.000 1.198 413 E HN 0.573 nan 8.360 nan 0.000 0.407 414 D N -1.589 118.624 120.400 -0.312 0.000 2.696 414 D HA 0.161 4.800 4.640 -0.001 0.000 0.269 414 D C -0.199 175.348 176.300 -1.255 0.000 1.319 414 D CA -0.104 53.378 54.000 -0.863 0.000 0.826 414 D CB -0.416 40.128 40.800 -0.426 0.000 1.086 414 D HN 0.536 nan 8.370 nan 0.000 0.481 415 H N -0.458 117.782 119.070 -1.383 0.000 3.140 415 H HA 0.397 4.952 4.556 -0.001 0.000 0.336 415 H C -1.966 173.141 175.328 -0.369 0.000 1.142 415 H CA -0.901 54.741 56.048 -0.677 0.000 1.308 415 H CB 1.334 30.889 29.762 -0.344 0.000 1.970 415 H HN 0.084 nan 8.280 nan 0.000 0.521 416 M N 4.100 123.605 119.600 -0.158 0.000 2.366 416 M HA 0.119 4.598 4.480 -0.001 0.000 0.287 416 M C -1.832 174.484 176.300 0.026 0.000 1.083 416 M CA -0.451 54.846 55.300 -0.005 0.000 0.934 416 M CB 2.173 34.961 32.600 0.313 0.000 1.852 416 M HN 0.754 nan 8.290 nan 0.000 0.502 417 E N 2.878 123.060 120.200 -0.030 0.000 2.344 417 E HA 0.323 4.673 4.350 -0.001 0.000 0.270 417 E C -0.757 175.845 176.600 0.004 0.000 1.021 417 E CA -0.117 56.299 56.400 0.027 0.000 0.887 417 E CB 1.210 30.922 29.700 0.020 0.000 0.997 417 E HN 0.627 nan 8.360 nan 0.000 0.429 418 V N 4.686 124.589 119.914 -0.018 0.000 2.948 418 V HA 0.107 4.226 4.120 -0.001 0.000 0.234 418 V C -0.228 175.595 176.094 -0.451 0.000 1.205 418 V CA 0.176 62.283 62.300 -0.320 0.000 1.234 418 V CB 0.247 31.752 31.823 -0.531 0.000 1.020 418 V HN 0.513 nan 8.190 nan 0.000 0.491 419 F N 2.156 122.192 119.950 0.144 0.000 2.366 419 F HA 0.596 5.122 4.527 -0.001 0.000 0.366 419 F C -2.598 173.283 175.800 0.135 0.000 1.096 419 F CA -3.192 54.831 58.000 0.037 0.000 1.060 419 F CB 0.494 39.431 39.000 -0.105 0.000 1.282 419 F HN 0.041 nan 8.300 nan 0.000 0.450 420 P HA 0.183 nan 4.420 nan 0.000 0.272 420 P C -0.451 177.062 177.300 0.355 0.000 1.240 420 P CA -0.464 62.790 63.100 0.256 0.000 0.791 420 P CB 0.676 32.473 31.700 0.162 0.000 0.978 421 A N 1.384 124.383 122.820 0.298 0.000 2.520 421 A HA 0.420 4.739 4.320 -0.001 0.000 0.245 421 A C 1.447 179.157 177.584 0.209 0.000 1.072 421 A CA 0.705 52.902 52.037 0.267 0.000 0.761 421 A CB -1.601 17.515 19.000 0.194 0.000 1.004 421 A HN 0.875 nan 8.150 nan 0.000 0.499 422 G N 1.722 110.640 108.800 0.197 0.000 2.148 422 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.254 422 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.254 422 G C 0.678 175.672 174.900 0.156 0.000 0.981 422 G CA 1.149 46.336 45.100 0.143 0.000 0.670 422 G HN 2.053 nan 8.290 nan 0.000 0.528 423 S N -0.856 114.973 115.700 0.214 0.000 2.596 423 S HA 0.788 5.257 4.470 -0.001 0.000 0.262 423 S C 0.447 175.156 174.600 0.183 0.000 1.218 423 S CA 0.493 58.795 58.200 0.170 0.000 0.998 423 S CB 1.528 64.823 63.200 0.159 0.000 1.060 423 S HN 0.845 nan 8.310 nan 0.000 0.552 424 S N 0.317 116.092 115.700 0.125 0.000 2.566 424 S HA 0.758 5.227 4.470 -0.001 0.000 0.298 424 S C -0.860 173.809 174.600 0.115 0.000 1.083 424 S CA -0.741 57.507 58.200 0.080 0.000 0.978 424 S CB 0.915 64.105 63.200 -0.017 0.000 1.073 424 S HN 0.694 nan 8.310 nan 0.000 0.491 425 F N 0.455 120.395 119.950 -0.017 0.000 2.561 425 F HA 0.827 5.353 4.527 -0.001 0.000 0.321 425 F C -2.968 172.769 175.800 -0.104 0.000 1.065 425 F CA -2.901 55.047 58.000 -0.086 0.000 0.934 425 F CB 0.577 39.526 39.000 -0.084 0.000 1.215 425 F HN 0.258 nan 8.300 nan 0.000 0.471 426 P HA 0.231 nan 4.420 nan 0.000 0.274 426 P C -1.018 176.287 177.300 0.009 0.000 1.231 426 P CA -0.179 62.965 63.100 0.074 0.000 0.790 426 P CB 1.767 33.472 31.700 0.009 0.000 0.951 427 S N 0.199 115.887 115.700 -0.021 0.000 2.536 427 S HA 0.549 5.018 4.470 -0.001 0.000 0.271 427 S C -1.195 173.492 174.600 0.145 0.000 1.134 427 S CA -0.378 57.854 58.200 0.054 0.000 0.897 427 S CB 1.087 64.347 63.200 0.099 0.000 1.094 427 S HN 0.390 nan 8.310 nan 0.000 0.473 428 T N 4.937 119.597 114.554 0.176 0.000 2.824 428 T HA 0.577 4.926 4.350 -0.001 0.000 0.282 428 T C -1.302 173.474 174.700 0.127 0.000 0.993 428 T CA -0.838 61.362 62.100 0.167 0.000 0.967 428 T CB 1.215 70.127 68.868 0.074 0.000 0.960 428 T HN 0.402 nan 8.240 nan 0.000 0.441 429 K N 3.348 123.786 120.400 0.063 0.000 2.345 429 K HA 0.504 4.823 4.320 -0.001 0.000 0.255 429 K C -0.938 175.586 176.600 -0.127 0.000 0.934 429 K CA -0.607 55.627 56.287 -0.089 0.000 0.801 429 K CB 2.524 34.853 32.500 -0.286 0.000 1.137 429 K HN 0.494 nan 8.250 nan 0.000 0.424 430 L N 4.681 125.839 121.223 -0.109 0.000 2.275 430 L HA 0.571 4.910 4.340 -0.001 0.000 0.288 430 L C 0.418 177.192 176.870 -0.160 0.000 1.046 430 L CA -0.897 53.871 54.840 -0.121 0.000 0.805 430 L CB 0.667 42.681 42.059 -0.075 0.000 1.193 430 L HN 0.559 nan 8.230 nan 0.000 0.426 431 I N -0.074 120.371 120.570 -0.207 0.000 2.689 431 I HA 0.716 4.885 4.170 -0.001 0.000 0.299 431 I C -0.196 175.763 176.117 -0.263 0.000 1.059 431 I CA -0.446 60.711 61.300 -0.239 0.000 1.055 431 I CB 2.484 40.302 38.000 -0.303 0.000 1.243 431 I HN 0.539 nan 8.210 nan 0.000 0.425 432 T N 3.461 117.862 114.554 -0.256 0.000 2.797 432 T HA 0.737 5.086 4.350 -0.001 0.000 0.279 432 T C -0.741 173.760 174.700 -0.332 0.000 0.991 432 T CA -0.616 61.325 62.100 -0.265 0.000 0.979 432 T CB 1.547 70.299 68.868 -0.193 0.000 0.943 432 T HN 0.444 nan 8.240 nan 0.000 0.444 433 L N 3.407 124.402 121.223 -0.380 0.000 2.376 433 L HA 0.432 4.771 4.340 -0.001 0.000 0.275 433 L C -0.260 176.387 176.870 -0.372 0.000 0.987 433 L CA -0.706 53.848 54.840 -0.476 0.000 0.828 433 L CB 1.798 43.420 42.059 -0.728 0.000 1.249 433 L HN 0.715 nan 8.230 nan 0.000 0.409 434 N N 4.300 122.832 118.700 -0.280 0.000 2.442 434 N HA 0.281 5.020 4.740 -0.001 0.000 0.265 434 N C -0.545 174.823 175.510 -0.238 0.000 1.138 434 N CA -0.400 52.527 53.050 -0.206 0.000 0.956 434 N CB 1.000 39.411 38.487 -0.127 0.000 1.067 434 N HN 0.289 nan 8.380 nan 0.000 0.474 435 R N 1.364 121.727 120.500 -0.228 0.000 2.670 435 R HA 0.428 4.768 4.340 -0.001 0.000 0.289 435 R C 0.733 176.968 176.300 -0.108 0.000 0.965 435 R CA -0.593 55.361 56.100 -0.244 0.000 0.899 435 R CB 0.350 30.440 30.300 -0.349 0.000 1.173 435 R HN 0.616 nan 8.270 nan 0.000 0.456 436 T N -1.157 113.356 114.554 -0.068 0.000 3.174 436 T HA 0.475 4.825 4.350 -0.001 0.000 0.269 436 T C 0.557 175.271 174.700 0.023 0.000 1.017 436 T CA 0.290 62.381 62.100 -0.015 0.000 0.899 436 T CB 0.140 69.004 68.868 -0.006 0.000 1.077 436 T HN 0.683 nan 8.240 nan 0.000 0.552 437 G N -0.159 108.671 108.800 0.050 0.000 2.336 437 G HA2 0.366 4.325 3.960 -0.001 0.000 0.300 437 G HA3 0.366 4.325 3.960 -0.001 0.000 0.300 437 G C -2.102 172.936 174.900 0.229 0.000 1.375 437 G CA -0.961 44.205 45.100 0.109 0.000 0.885 437 G HN 0.046 nan 8.290 nan 0.000 0.599 438 D N 0.340 120.862 120.400 0.204 0.000 2.583 438 D HA 0.394 5.033 4.640 -0.001 0.000 0.232 438 D C 0.135 176.608 176.300 0.288 0.000 1.128 438 D CA 1.396 55.527 54.000 0.218 0.000 0.859 438 D CB 0.244 41.105 40.800 0.101 0.000 1.169 438 D HN 0.495 nan 8.370 nan 0.000 0.481 439 F N -1.351 118.640 119.950 0.068 0.000 2.599 439 F HA 0.568 5.094 4.527 -0.001 0.000 0.311 439 F C -0.455 175.422 175.800 0.128 0.000 1.076 439 F CA -1.124 56.933 58.000 0.094 0.000 0.937 439 F CB 1.150 40.209 39.000 0.098 0.000 1.282 439 F HN -0.025 nan 8.300 nan 0.000 0.460 440 S N 2.734 118.576 115.700 0.238 0.000 2.617 440 S HA 0.720 5.189 4.470 -0.001 0.000 0.283 440 S C -0.487 174.310 174.600 0.329 0.000 1.189 440 S CA -0.710 57.601 58.200 0.185 0.000 1.036 440 S CB 1.260 64.554 63.200 0.156 0.000 1.014 440 S HN 0.605 nan 8.310 nan 0.000 0.522 441 M N 1.561 121.366 119.600 0.342 0.000 2.658 441 M HA 0.745 5.224 4.480 -0.001 0.000 0.295 441 M C -1.069 175.531 176.300 0.500 0.000 1.248 441 M CA -0.776 54.812 55.300 0.480 0.000 0.843 441 M CB 2.336 35.234 32.600 0.497 0.000 1.749 441 M HN 0.720 nan 8.290 nan 0.000 0.464 442 A N 1.038 124.132 122.820 0.456 0.000 2.547 442 A HA 0.899 5.218 4.320 -0.001 0.000 0.297 442 A C -1.596 176.091 177.584 0.172 0.000 1.056 442 A CA -0.632 51.573 52.037 0.279 0.000 0.688 442 A CB 1.512 20.552 19.000 0.066 0.000 1.282 442 A HN 0.890 nan 8.150 nan 0.000 0.400 443 A N 1.032 123.854 122.820 0.003 0.000 2.312 443 A HA 0.932 5.251 4.320 -0.001 0.000 0.326 443 A C 0.189 177.602 177.584 -0.285 0.000 1.172 443 A CA 0.197 52.000 52.037 -0.389 0.000 0.821 443 A CB 0.680 19.364 19.000 -0.526 0.000 1.166 443 A HN 2.398 nan 8.150 nan 0.000 0.493 444 S N 0.449 115.980 115.700 -0.282 0.000 2.565 444 S HA 0.616 5.085 4.470 -0.001 0.000 0.269 444 S C -1.318 173.139 174.600 -0.239 0.000 1.153 444 S CA -0.717 57.327 58.200 -0.259 0.000 0.835 444 S CB 0.266 63.407 63.200 -0.100 0.000 1.122 444 S HN 0.498 nan 8.310 nan 0.000 0.462 445 Y N 1.871 122.174 120.300 0.006 0.000 2.465 445 Y HA 0.253 4.802 4.550 -0.001 0.000 0.331 445 Y C 2.168 178.101 175.900 0.056 0.000 1.102 445 Y CA 0.134 58.253 58.100 0.031 0.000 1.358 445 Y CB 0.304 38.755 38.460 -0.014 0.000 1.213 445 Y HN 0.848 nan 8.280 nan 0.000 0.525 446 T N 0.225 114.925 114.554 0.243 0.000 2.821 446 T HA -0.138 4.211 4.350 -0.001 0.000 0.267 446 T C 0.237 175.029 174.700 0.153 0.000 1.046 446 T CA 1.463 63.669 62.100 0.178 0.000 1.139 446 T CB -0.057 68.907 68.868 0.161 0.000 0.871 446 T HN 0.490 nan 8.240 nan 0.000 0.454 447 D N -0.234 120.261 120.400 0.157 0.000 2.358 447 D HA 0.268 4.907 4.640 -0.001 0.000 0.253 447 D C 0.384 176.725 176.300 0.069 0.000 1.288 447 D CA -0.561 53.502 54.000 0.105 0.000 0.950 447 D CB 0.788 41.647 40.800 0.099 0.000 1.197 447 D HN -0.101 nan 8.370 nan 0.000 0.550 448 I N 2.725 123.324 120.570 0.050 0.000 2.493 448 I HA -0.180 3.989 4.170 -0.001 0.000 0.254 448 I C 2.317 178.405 176.117 -0.048 0.000 1.160 448 I CA 1.642 62.936 61.300 -0.009 0.000 1.445 448 I CB -0.109 37.901 38.000 0.017 0.000 1.086 448 I HN 0.520 nan 8.210 nan 0.000 0.433 449 T N -2.349 112.198 114.554 -0.011 0.000 2.977 449 T HA -0.145 4.204 4.350 -0.001 0.000 0.271 449 T C 1.570 176.264 174.700 -0.011 0.000 1.105 449 T CA 0.839 62.933 62.100 -0.010 0.000 1.116 449 T CB -0.287 68.587 68.868 0.009 0.000 0.878 449 T HN 0.322 nan 8.240 nan 0.000 0.509 450 Q N 0.118 119.914 119.800 -0.007 0.000 2.403 450 Q HA 0.397 4.736 4.340 -0.001 0.000 0.203 450 Q C 0.236 176.218 176.000 -0.030 0.000 0.932 450 Q CA 0.104 55.928 55.803 0.035 0.000 0.945 450 Q CB -0.007 28.799 28.738 0.113 0.000 1.045 450 Q HN 0.492 nan 8.270 nan 0.000 0.511 451 L N 0.884 121.981 121.223 -0.210 0.000 2.358 451 L HA 0.358 4.697 4.340 -0.001 0.000 0.268 451 L C -2.056 174.688 176.870 -0.211 0.000 1.032 451 L CA -1.912 52.669 54.840 -0.433 0.000 0.805 451 L CB 0.312 41.941 42.059 -0.718 0.000 1.253 451 L HN -0.126 nan 8.230 nan 0.000 0.452 452 P HA 0.065 nan 4.420 nan 0.000 0.266 452 P C -2.516 174.737 177.300 -0.078 0.000 1.193 452 P CA -0.643 62.417 63.100 -0.067 0.000 0.770 452 P CB -0.289 31.402 31.700 -0.015 0.000 0.836 453 P HA -0.001 nan 4.420 nan 0.000 0.267 453 P C -0.075 177.170 177.300 -0.093 0.000 1.200 453 P CA 0.532 63.589 63.100 -0.072 0.000 0.772 453 P CB 0.070 31.727 31.700 -0.071 0.000 0.855 454 N N -1.534 117.119 118.700 -0.079 0.000 2.782 454 N HA -0.132 4.608 4.740 -0.001 0.000 0.251 454 N C -0.770 174.719 175.510 -0.036 0.000 1.101 454 N CA 1.210 54.220 53.050 -0.066 0.000 0.764 454 N CB -2.248 36.176 38.487 -0.105 0.000 1.122 454 N HN 0.372 nan 8.380 nan 0.000 0.561 455 T N 1.645 116.172 114.554 -0.045 0.000 2.814 455 T HA 0.335 4.684 4.350 -0.001 0.000 0.297 455 T C -2.015 172.707 174.700 0.036 0.000 0.956 455 T CA -0.699 61.387 62.100 -0.023 0.000 1.123 455 T CB 1.010 69.799 68.868 -0.133 0.000 0.902 455 T HN -0.014 nan 8.240 nan 0.000 0.528 456 P HA 0.160 nan 4.420 nan 0.000 0.268 456 P C 0.788 178.193 177.300 0.175 0.000 1.205 456 P CA -0.255 62.920 63.100 0.124 0.000 0.771 456 P CB 0.756 32.559 31.700 0.172 0.000 0.858 457 E N 1.386 121.660 120.200 0.122 0.000 2.107 457 E HA -0.161 4.189 4.350 -0.001 0.000 0.191 457 E C 0.560 177.212 176.600 0.086 0.000 0.982 457 E CA 0.543 57.029 56.400 0.144 0.000 0.809 457 E CB 0.239 29.982 29.700 0.072 0.000 0.756 457 E HN 0.475 nan 8.360 nan 0.000 0.459 458 Q N 0.500 120.310 119.800 0.017 0.000 2.286 458 Q HA 0.139 4.478 4.340 -0.001 0.000 0.257 458 Q C 0.712 176.649 176.000 -0.104 0.000 0.941 458 Q CA -0.238 55.513 55.803 -0.086 0.000 0.912 458 Q CB 1.023 29.690 28.738 -0.119 0.000 1.192 458 Q HN 0.232 nan 8.270 nan 0.000 0.410 459 I N 2.025 122.462 120.570 -0.221 0.000 2.512 459 I HA 0.224 4.393 4.170 -0.001 0.000 0.247 459 I C 0.542 176.442 176.117 -0.362 0.000 1.094 459 I CA 0.442 61.635 61.300 -0.179 0.000 1.427 459 I CB 0.354 38.195 38.000 -0.264 0.000 1.149 459 I HN 0.627 nan 8.210 nan 0.000 0.438 460 A N 0.848 123.411 122.820 -0.428 0.000 2.586 460 A HA 0.596 4.915 4.320 -0.001 0.000 0.290 460 A C -1.585 175.525 177.584 -0.791 0.000 1.086 460 A CA -0.716 50.915 52.037 -0.676 0.000 0.665 460 A CB 1.252 19.812 19.000 -0.733 0.000 1.279 460 A HN 0.279 nan 8.150 nan 0.000 0.423 461 N N -0.212 117.936 118.700 -0.920 0.000 2.416 461 N HA 0.586 5.325 4.740 -0.001 0.000 0.276 461 N C -1.654 173.478 175.510 -0.631 0.000 1.261 461 N CA -0.527 52.159 53.050 -0.607 0.000 0.790 461 N CB 1.565 39.918 38.487 -0.224 0.000 1.554 461 N HN 0.759 nan 8.380 nan 0.000 0.481 462 W N 0.114 121.468 121.300 0.090 0.000 3.022 462 W HA 0.333 4.993 4.660 -0.001 0.000 0.335 462 W C -0.794 175.746 176.519 0.034 0.000 1.133 462 W CA -0.345 57.036 57.345 0.061 0.000 1.219 462 W CB 2.162 31.637 29.460 0.025 0.000 1.409 462 W HN 0.486 nan 8.180 nan 0.000 0.507 463 E N 1.690 122.021 120.200 0.219 0.000 2.191 463 E HA 0.540 4.889 4.350 -0.001 0.000 0.274 463 E C -0.584 176.005 176.600 -0.020 0.000 0.948 463 E CA -0.508 55.942 56.400 0.084 0.000 0.802 463 E CB 2.213 31.969 29.700 0.094 0.000 1.137 463 E HN 0.209 nan 8.360 nan 0.000 0.397 464 I N 2.347 122.807 120.570 -0.183 0.000 2.418 464 I HA 0.499 4.669 4.170 -0.001 0.000 0.287 464 I C 0.397 176.428 176.117 -0.143 0.000 1.008 464 I CA -0.349 60.793 61.300 -0.264 0.000 1.104 464 I CB 1.464 39.065 38.000 -0.664 0.000 1.264 464 I HN 0.625 nan 8.210 nan 0.000 0.438 469 L N 2.079 123.329 121.223 0.045 0.000 2.287 469 L HA 0.893 5.233 4.340 -0.001 0.000 0.287 469 L C -0.843 176.044 176.870 0.028 0.000 1.022 469 L CA -0.319 54.542 54.840 0.034 0.000 0.814 469 L CB 0.095 42.171 42.059 0.028 0.000 1.217 469 L HN 0.470 nan 8.230 nan 0.000 0.420 470 P HA 0.155 nan 4.420 nan 0.000 0.218 470 P C 0.770 178.075 177.300 0.008 0.000 1.146 470 P CA 3.074 66.182 63.100 0.014 0.000 0.813 470 P CB -0.312 31.395 31.700 0.013 0.000 0.778 471 E N -4.119 116.088 120.200 0.011 0.000 2.513 471 E HA 0.007 4.356 4.350 -0.001 0.000 0.257 471 E C 1.424 178.027 176.600 0.005 0.000 1.098 471 E CA 1.171 57.576 56.400 0.008 0.000 0.752 471 E CB -2.965 26.739 29.700 0.007 0.000 1.324 471 E HN 1.924 nan 8.360 nan 0.000 0.403 472 G N -1.400 107.403 108.800 0.006 0.000 2.244 472 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.274 472 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.274 472 G C 0.597 175.498 174.900 0.001 0.000 1.002 472 G CA 0.953 46.056 45.100 0.004 0.000 0.740 472 G HN 1.210 nan 8.290 nan 0.000 0.516 473 Q N -1.179 118.620 119.800 -0.002 0.000 2.217 473 Q HA 0.440 4.779 4.340 -0.001 0.000 0.340 473 Q C 1.072 177.067 176.000 -0.008 0.000 0.893 473 Q CA 1.447 57.247 55.803 -0.005 0.000 1.142 473 Q CB -0.308 28.426 28.738 -0.007 0.000 1.288 473 Q HN 1.314 nan 8.270 nan 0.000 0.426 474 D N 0.123 120.520 120.400 -0.005 0.000 4.082 474 D HA -0.274 4.365 4.640 -0.001 0.000 0.219 474 D C 0.556 176.848 176.300 -0.012 0.000 1.343 474 D CA 1.817 55.813 54.000 -0.007 0.000 2.348 474 D CB -1.312 39.483 40.800 -0.008 0.000 1.236 474 D HN 0.666 nan 8.370 nan 0.000 0.406 475 S N -0.946 114.742 115.700 -0.021 0.000 2.672 475 S HA 0.899 5.368 4.470 -0.001 0.000 0.291 475 S C -0.011 174.563 174.600 -0.043 0.000 1.145 475 S CA 0.525 58.703 58.200 -0.036 0.000 1.013 475 S CB 1.355 64.527 63.200 -0.046 0.000 1.017 475 S HN 2.164 nan 8.310 nan 0.000 0.487 476 V N 2.824 122.710 119.914 -0.047 0.000 2.465 476 V HA 0.837 4.956 4.120 -0.001 0.000 0.279 476 V C -2.789 173.253 176.094 -0.087 0.000 1.045 476 V CA -2.437 59.834 62.300 -0.049 0.000 0.938 476 V CB 1.049 32.858 31.823 -0.023 0.000 0.986 476 V HN 0.521 nan 8.190 nan 0.000 0.467 477 P HA 0.445 nan 4.420 nan 0.000 0.282 477 P C -0.628 176.579 177.300 -0.154 0.000 1.262 477 P CA -0.131 62.887 63.100 -0.136 0.000 0.773 477 P CB 1.298 32.928 31.700 -0.117 0.000 0.879 478 V N 1.247 121.040 119.914 -0.202 0.000 2.495 478 V HA 0.528 4.647 4.120 -0.001 0.000 0.298 478 V C -0.404 175.505 176.094 -0.308 0.000 1.031 478 V CA -0.836 61.334 62.300 -0.216 0.000 0.871 478 V CB 1.775 33.555 31.823 -0.072 0.000 0.988 478 V HN 0.241 nan 8.190 nan 0.000 0.432 479 K N 4.598 124.708 120.400 -0.484 0.000 2.201 479 K HA 0.666 4.986 4.320 -0.001 0.000 0.278 479 K C -1.283 175.067 176.600 -0.416 0.000 1.027 479 K CA -0.432 55.555 56.287 -0.500 0.000 0.909 479 K CB 1.706 33.815 32.500 -0.652 0.000 1.062 479 K HN 0.650 nan 8.250 nan 0.000 0.465 480 L N 2.381 123.441 121.223 -0.272 0.000 2.362 480 L HA 0.407 4.746 4.340 -0.001 0.000 0.271 480 L C -0.201 176.571 176.870 -0.163 0.000 1.002 480 L CA -0.519 54.205 54.840 -0.193 0.000 0.818 480 L CB 1.680 43.623 42.059 -0.193 0.000 1.298 480 L HN 0.392 nan 8.230 nan 0.000 0.420 481 K N 3.567 123.904 120.400 -0.105 0.000 2.347 481 K HA 0.569 4.888 4.320 -0.001 0.000 0.262 481 K C -1.365 175.172 176.600 -0.105 0.000 1.052 481 K CA -0.393 55.850 56.287 -0.072 0.000 0.946 481 K CB 0.483 32.986 32.500 0.004 0.000 1.220 481 K HN 0.523 nan 8.250 nan 0.000 0.450 482 L N 4.003 125.132 121.223 -0.155 0.000 2.289 482 L HA 0.538 4.878 4.340 -0.001 0.000 0.285 482 L C 0.021 176.976 176.870 0.141 0.000 1.049 482 L CA -0.783 53.956 54.840 -0.167 0.000 0.804 482 L CB 1.341 43.045 42.059 -0.591 0.000 1.195 482 L HN 0.494 nan 8.230 nan 0.000 0.428 483 R N 2.056 122.708 120.500 0.253 0.000 2.575 483 R HA 0.451 4.790 4.340 -0.001 0.000 0.293 483 R C -1.433 174.907 176.300 0.066 0.000 0.983 483 R CA -0.494 55.738 56.100 0.221 0.000 0.887 483 R CB 1.857 32.216 30.300 0.098 0.000 1.184 483 R HN 0.757 nan 8.270 nan 0.000 0.445 484 C N 5.760 124.821 119.300 -0.397 0.000 2.246 484 C HA 0.356 4.815 4.460 -0.001 0.000 0.329 484 C C -0.074 174.749 174.990 -0.279 0.000 1.221 484 C CA -0.629 58.007 59.018 -0.637 0.000 1.697 484 C CB -0.758 26.318 27.740 -1.107 0.000 2.312 484 C HN 0.911 nan 8.230 nan 0.000 0.509 485 D N 6.066 126.350 120.400 -0.193 0.000 2.433 485 D HA 0.248 4.887 4.640 -0.001 0.000 0.255 485 D C -1.896 174.416 176.300 0.020 0.000 1.226 485 D CA -1.821 52.144 54.000 -0.058 0.000 1.015 485 D CB 0.073 40.855 40.800 -0.028 0.000 1.091 485 D HN 0.234 nan 8.370 nan 0.000 0.527 486 P HA -0.053 nan 4.420 nan 0.000 0.222 486 P C 0.797 178.229 177.300 0.220 0.000 1.142 486 P CA 1.135 64.311 63.100 0.127 0.000 0.788 486 P CB 0.124 31.857 31.700 0.055 0.000 0.767 487 S N -2.018 113.725 115.700 0.071 0.000 2.575 487 S HA 0.299 4.768 4.470 -0.001 0.000 0.215 487 S C 1.499 175.981 174.600 -0.197 0.000 0.966 487 S CA 0.571 58.779 58.200 0.013 0.000 0.911 487 S CB -0.516 62.634 63.200 -0.083 0.000 0.780 487 S HN 0.320 nan 8.310 nan 0.000 0.514 488 G N 1.485 109.993 108.800 -0.488 0.000 2.136 488 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.242 488 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.242 488 G C -0.123 174.393 174.900 -0.641 0.000 0.989 488 G CA -0.136 44.298 45.100 -1.111 0.000 0.682 488 G HN 0.450 nan 8.290 nan 0.000 0.522 489 L N 0.168 121.141 121.223 -0.416 0.000 2.325 489 L HA 0.620 4.960 4.340 -0.001 0.000 0.279 489 L C 0.330 177.075 176.870 -0.208 0.000 1.054 489 L CA -1.205 53.500 54.840 -0.224 0.000 0.804 489 L CB 1.041 42.986 42.059 -0.190 0.000 1.200 489 L HN 0.155 nan 8.230 nan 0.000 0.436 490 H N 0.537 119.744 119.070 0.228 0.000 2.594 490 H HA 0.467 5.022 4.556 -0.001 0.000 0.304 490 H C 0.070 175.725 175.328 0.545 0.000 1.068 490 H CA -0.375 55.887 56.048 0.356 0.000 1.308 490 H CB 1.129 31.120 29.762 0.382 0.000 1.409 490 H HN 0.654 nan 8.280 nan 0.000 0.460 491 T N 0.281 115.188 114.554 0.589 0.000 2.864 491 T HA 0.627 4.976 4.350 -0.001 0.000 0.289 491 T C -0.274 174.565 174.700 0.231 0.000 1.082 491 T CA -1.030 61.414 62.100 0.574 0.000 1.009 491 T CB 1.388 70.472 68.868 0.361 0.000 1.234 491 T HN 0.367 nan 8.240 nan 0.000 0.526 492 I N 1.605 122.119 120.570 -0.093 0.000 2.382 492 I HA 0.316 4.485 4.170 -0.001 0.000 0.285 492 I C 1.196 177.257 176.117 -0.093 0.000 1.007 492 I CA -0.635 60.471 61.300 -0.323 0.000 1.142 492 I CB 1.717 39.223 38.000 -0.823 0.000 1.289 492 I HN 0.838 nan 8.210 nan 0.000 0.453 493 E N 3.506 123.688 120.200 -0.031 0.000 2.033 493 E HA -0.068 4.281 4.350 -0.001 0.000 0.189 493 E C 0.139 176.746 176.600 0.013 0.000 0.979 493 E CA 1.053 57.464 56.400 0.018 0.000 0.802 493 E CB 0.476 30.195 29.700 0.032 0.000 0.763 493 E HN 0.508 nan 8.360 nan 0.000 0.449 494 E N -1.039 119.164 120.200 0.006 0.000 2.292 494 E HA 0.534 4.883 4.350 -0.001 0.000 0.272 494 E C -1.867 174.771 176.600 0.063 0.000 0.881 494 E CA -0.509 55.930 56.400 0.064 0.000 0.754 494 E CB 2.041 31.811 29.700 0.117 0.000 1.201 494 E HN 0.116 nan 8.360 nan 0.000 0.425 495 A N 3.650 126.537 122.820 0.113 0.000 2.429 495 A HA 0.663 4.983 4.320 -0.001 0.000 0.289 495 A C -1.903 175.790 177.584 0.182 0.000 1.043 495 A CA -0.656 51.422 52.037 0.068 0.000 0.722 495 A CB 0.369 19.360 19.000 -0.015 0.000 1.243 495 A HN 0.648 nan 8.150 nan 0.000 0.415 496 Y N -0.503 119.794 120.300 -0.005 0.000 2.521 496 Y HA 0.714 5.263 4.550 -0.001 0.000 0.332 496 Y C 0.003 175.905 175.900 0.003 0.000 1.121 496 Y CA -0.688 57.413 58.100 0.000 0.000 1.037 496 Y CB 0.603 39.058 38.460 -0.010 0.000 1.330 496 Y HN 0.661 nan 8.280 nan 0.000 0.452 497 T N 2.467 117.077 114.554 0.093 0.000 2.919 497 T HA 0.584 4.934 4.350 -0.001 0.000 0.302 497 T C 0.012 174.752 174.700 0.067 0.000 1.031 497 T CA -0.371 61.743 62.100 0.022 0.000 1.127 497 T CB 0.673 69.568 68.868 0.044 0.000 0.952 497 T HN 0.876 nan 8.240 nan 0.000 0.540 498 I N -0.751 119.813 120.570 -0.010 0.000 2.693 498 I HA 0.816 4.986 4.170 -0.001 0.000 0.303 498 I C -0.482 175.641 176.117 0.009 0.000 1.025 498 I CA -1.260 60.057 61.300 0.028 0.000 1.086 498 I CB 2.143 40.140 38.000 -0.005 0.000 1.268 498 I HN 0.898 nan 8.210 nan 0.000 0.440 499 E N 2.302 122.515 120.200 0.021 0.000 2.367 499 E HA 0.387 4.736 4.350 -0.001 0.000 0.273 499 E C -1.287 175.317 176.600 0.007 0.000 0.903 499 E CA -0.727 55.678 56.400 0.009 0.000 0.764 499 E CB 2.081 31.789 29.700 0.013 0.000 1.252 499 E HN 0.563 nan 8.360 nan 0.000 0.446 500 D N 1.313 121.713 120.400 -0.000 0.000 2.340 500 D HA 0.095 4.734 4.640 -0.001 0.000 0.220 500 D C 1.218 177.518 176.300 0.001 0.000 1.039 500 D CA -0.020 53.979 54.000 -0.002 0.000 0.866 500 D CB 0.063 40.859 40.800 -0.007 0.000 0.913 500 D HN 0.391 nan 8.370 nan 0.000 0.523 501 I N 1.562 122.133 120.570 0.003 0.000 2.229 501 I HA -0.263 3.907 4.170 -0.001 0.000 0.250 501 I C 1.699 177.818 176.117 0.002 0.000 1.096 501 I CA 1.365 62.667 61.300 0.003 0.000 1.358 501 I CB -0.596 37.407 38.000 0.005 0.000 1.047 501 I HN 0.093 nan 8.210 nan 0.000 0.422 527 T N 0.754 115.315 114.554 0.012 0.000 3.145 527 T HA 0.669 5.018 4.350 -0.001 0.000 0.255 527 T C 1.157 175.879 174.700 0.037 0.000 1.039 527 T CA 0.826 62.941 62.100 0.024 0.000 0.928 527 T CB -0.680 68.199 68.868 0.019 0.000 1.029 527 T HN 1.346 nan 8.240 nan 0.000 0.554 528 V N 1.725 121.656 119.914 0.028 0.000 2.450 528 V HA 0.612 4.731 4.120 -0.001 0.000 0.281 528 V C 0.828 176.955 176.094 0.056 0.000 1.019 528 V CA -0.404 61.914 62.300 0.029 0.000 1.062 528 V CB -1.188 30.645 31.823 0.017 0.000 0.979 528 V HN 0.685 nan 8.190 nan 0.000 0.477 529 K N 3.993 124.433 120.400 0.067 0.000 2.382 529 K HA 0.608 4.927 4.320 -0.001 0.000 0.275 529 K C 0.880 177.530 176.600 0.082 0.000 1.009 529 K CA 0.396 56.758 56.287 0.125 0.000 0.970 529 K CB 0.217 32.731 32.500 0.025 0.000 0.934 529 K HN 1.494 nan 8.250 nan 0.000 0.479 530 K N 1.247 121.717 120.400 0.116 0.000 2.118 530 K HA 0.241 4.560 4.320 -0.001 0.000 0.214 530 K C 0.019 176.659 176.600 0.067 0.000 1.023 530 K CA 1.522 57.852 56.287 0.072 0.000 0.948 530 K CB -0.153 32.383 32.500 0.061 0.000 0.851 530 K HN 0.868 nan 8.250 nan 0.000 0.455 531 D N 0.491 120.947 120.400 0.094 0.000 2.787 531 D HA 0.304 4.943 4.640 -0.001 0.000 0.246 531 D C -1.643 174.724 176.300 0.112 0.000 1.150 531 D CA -0.620 53.425 54.000 0.075 0.000 0.864 531 D CB 1.731 42.565 40.800 0.058 0.000 1.481 531 D HN 0.283 nan 8.370 nan 0.000 0.509 532 D N 1.786 122.230 120.400 0.074 0.000 2.383 532 D HA 0.178 4.817 4.640 -0.001 0.000 0.252 532 D C -0.036 176.307 176.300 0.072 0.000 1.166 532 D CA 0.060 54.111 54.000 0.084 0.000 0.879 532 D CB 0.970 41.784 40.800 0.023 0.000 1.164 532 D HN 0.260 nan 8.370 nan 0.000 0.462 533 L N 1.438 122.712 121.223 0.085 0.000 2.360 533 L HA 0.316 4.655 4.340 -0.001 0.000 0.271 533 L C 0.959 177.845 176.870 0.027 0.000 1.057 533 L CA -0.712 54.158 54.840 0.050 0.000 0.803 533 L CB 1.071 43.158 42.059 0.047 0.000 1.207 533 L HN 0.112 nan 8.230 nan 0.000 0.445 534 T N 2.821 117.383 114.554 0.013 0.000 2.832 534 T HA 0.491 4.840 4.350 -0.001 0.000 0.296 534 T C -0.027 174.670 174.700 -0.005 0.000 0.968 534 T CA -0.047 62.059 62.100 0.009 0.000 1.107 534 T CB 0.391 69.266 68.868 0.011 0.000 0.916 534 T HN 0.249 nan 8.240 nan 0.000 0.517 535 I N 3.269 123.846 120.570 0.012 0.000 2.362 535 I HA 0.359 4.529 4.170 -0.001 0.000 0.289 535 I C -0.384 175.764 176.117 0.051 0.000 0.994 535 I CA -0.970 60.350 61.300 0.033 0.000 1.158 535 I CB 1.710 39.739 38.000 0.048 0.000 1.315 535 I HN 0.247 nan 8.210 nan 0.000 0.451 536 V N 5.985 125.926 119.914 0.044 0.000 2.350 536 V HA 0.595 4.714 4.120 -0.001 0.000 0.276 536 V C 0.411 176.440 176.094 -0.108 0.000 1.028 536 V CA -0.444 61.825 62.300 -0.051 0.000 0.860 536 V CB 1.251 33.033 31.823 -0.068 0.000 0.990 536 V HN 0.825 nan 8.190 nan 0.000 0.453 537 A N 4.812 127.516 122.820 -0.194 0.000 2.317 537 A HA 0.744 5.063 4.320 -0.001 0.000 0.327 537 A C -0.408 176.791 177.584 -0.641 0.000 1.178 537 A CA -0.547 51.314 52.037 -0.292 0.000 0.817 537 A CB 0.529 19.558 19.000 0.048 0.000 1.189 537 A HN 0.883 nan 8.150 nan 0.000 0.489 538 H N 2.363 121.162 119.070 -0.453 0.000 2.792 538 H HA 0.413 4.969 4.556 -0.001 0.000 0.298 538 H C 0.006 175.004 175.328 -0.550 0.000 1.042 538 H CA 0.093 55.898 56.048 -0.405 0.000 1.300 538 H CB 1.223 30.773 29.762 -0.354 0.000 1.431 538 H HN 0.845 nan 8.280 nan 0.000 0.496 539 T N -1.786 112.523 114.554 -0.410 0.000 2.841 539 T HA 0.281 4.631 4.350 -0.001 0.000 0.276 539 T C 0.955 175.265 174.700 -0.650 0.000 1.003 539 T CA -0.725 61.008 62.100 -0.611 0.000 0.995 539 T CB 0.686 69.188 68.868 -0.610 0.000 1.260 539 T HN 0.098 nan 8.240 nan 0.000 0.581 540 F N 1.131 120.658 119.950 -0.706 0.000 2.546 540 F HA 0.265 4.791 4.527 -0.001 0.000 0.298 540 F C 2.011 177.574 175.800 -0.394 0.000 1.120 540 F CA 0.262 57.983 58.000 -0.464 0.000 1.456 540 F CB -0.807 38.025 39.000 -0.281 0.000 1.088 540 F HN 0.805 nan 8.300 nan 0.000 0.572 541 G N 0.878 109.398 108.800 -0.466 0.000 2.441 541 G HA2 0.326 4.286 3.960 -0.001 0.000 0.243 541 G HA3 0.326 4.286 3.960 -0.001 0.000 0.243 541 G C -0.048 174.848 174.900 -0.006 0.000 1.281 541 G CA -0.616 44.456 45.100 -0.046 0.000 0.854 541 G HN 0.066 nan 8.290 nan 0.000 0.560 542 L N 1.993 123.254 121.223 0.064 0.000 2.461 542 L HA 0.140 4.479 4.340 -0.001 0.000 0.272 542 L C 0.731 177.623 176.870 0.037 0.000 1.197 542 L CA -0.645 54.226 54.840 0.051 0.000 0.836 542 L CB 0.467 42.568 42.059 0.071 0.000 1.105 542 L HN 0.637 nan 8.230 nan 0.000 0.477 543 D N 1.866 122.281 120.400 0.026 0.000 2.358 543 D HA 0.117 4.756 4.640 -0.001 0.000 0.244 543 D C 0.767 177.085 176.300 0.030 0.000 1.163 543 D CA -0.153 53.859 54.000 0.020 0.000 0.945 543 D CB 1.245 42.054 40.800 0.015 0.000 1.152 543 D HN 0.555 nan 8.370 nan 0.000 0.451 544 A N 1.189 124.025 122.820 0.027 0.000 1.892 544 A HA -0.276 4.044 4.320 -0.001 0.000 0.218 544 A C 2.096 179.700 177.584 0.033 0.000 1.188 544 A CA 2.227 54.282 52.037 0.031 0.000 0.631 544 A CB -0.748 18.267 19.000 0.026 0.000 0.822 544 A HN 0.740 nan 8.150 nan 0.000 0.447 545 K N -0.634 119.783 120.400 0.029 0.000 2.032 545 K HA -0.247 4.072 4.320 -0.001 0.000 0.209 545 K C 2.167 178.788 176.600 0.035 0.000 1.048 545 K CA 1.989 58.293 56.287 0.030 0.000 0.927 545 K CB -0.129 32.386 32.500 0.025 0.000 0.712 545 K HN 0.274 nan 8.250 nan 0.000 0.441 546 K N 0.750 121.173 120.400 0.038 0.000 2.062 546 K HA -0.077 4.242 4.320 -0.001 0.000 0.205 546 K C 1.945 178.577 176.600 0.053 0.000 1.051 546 K CA 0.819 57.133 56.287 0.045 0.000 0.941 546 K CB -0.515 32.011 32.500 0.044 0.000 0.719 546 K HN 0.109 nan 8.250 nan 0.000 0.440 547 L N 1.609 122.864 121.223 0.053 0.000 1.989 547 L HA -0.180 4.160 4.340 -0.001 0.000 0.211 547 L C 1.558 178.461 176.870 0.055 0.000 1.071 547 L CA 1.884 56.759 54.840 0.058 0.000 0.749 547 L CB -1.007 41.086 42.059 0.057 0.000 0.890 547 L HN 0.297 nan 8.230 nan 0.000 0.431 548 N N -0.366 118.363 118.700 0.048 0.000 2.223 548 N HA -0.176 4.563 4.740 -0.001 0.000 0.185 548 N C 1.716 177.255 175.510 0.049 0.000 1.016 548 N CA 1.251 54.328 53.050 0.045 0.000 0.863 548 N CB -0.060 38.450 38.487 0.038 0.000 0.983 548 N HN 0.541 nan 8.380 nan 0.000 0.429 549 E N 0.615 120.846 120.200 0.051 0.000 2.051 549 E HA -0.065 4.284 4.350 -0.001 0.000 0.192 549 E C 1.999 178.642 176.600 0.071 0.000 0.991 549 E CA 0.713 57.148 56.400 0.057 0.000 0.799 549 E CB -0.056 29.677 29.700 0.055 0.000 0.748 549 E HN 0.281 nan 8.360 nan 0.000 0.449 550 L N 0.542 121.810 121.223 0.074 0.000 2.156 550 L HA -0.112 4.227 4.340 -0.001 0.000 0.208 550 L C 2.357 179.274 176.870 0.078 0.000 1.095 550 L CA 0.551 55.444 54.840 0.088 0.000 0.770 550 L CB -0.242 41.871 42.059 0.091 0.000 0.914 550 L HN 0.157 nan 8.230 nan 0.000 0.439 551 I N -0.054 120.556 120.570 0.065 0.000 2.142 551 I HA -0.318 3.851 4.170 -0.001 0.000 0.240 551 I C 2.689 178.839 176.117 0.055 0.000 1.078 551 I CA 1.526 62.859 61.300 0.055 0.000 1.343 551 I CB -0.244 37.785 38.000 0.048 0.000 1.046 551 I HN 0.339 nan 8.210 nan 0.000 0.405 552 E N 1.310 121.544 120.200 0.057 0.000 2.085 552 E HA -0.263 4.086 4.350 -0.001 0.000 0.194 552 E C 2.155 178.798 176.600 0.071 0.000 0.994 552 E CA 1.342 57.776 56.400 0.057 0.000 0.801 552 E CB 0.107 29.839 29.700 0.054 0.000 0.743 552 E HN 0.404 nan 8.360 nan 0.000 0.453 553 K N 0.281 120.734 120.400 0.089 0.000 2.026 553 K HA -0.213 4.107 4.320 -0.001 0.000 0.208 553 K C 2.223 178.887 176.600 0.107 0.000 1.048 553 K CA 1.544 57.903 56.287 0.119 0.000 0.929 553 K CB -0.154 32.439 32.500 0.155 0.000 0.713 553 K HN 0.010 nan 8.250 nan 0.000 0.439 554 E N 1.455 121.702 120.200 0.079 0.000 2.077 554 E HA -0.177 4.172 4.350 -0.001 0.000 0.193 554 E C 1.551 178.176 176.600 0.042 0.000 0.989 554 E CA 1.480 57.909 56.400 0.048 0.000 0.800 554 E CB -0.157 29.563 29.700 0.034 0.000 0.746 554 E HN 0.187 nan 8.360 nan 0.000 0.452 555 N N 0.732 119.459 118.700 0.045 0.000 2.120 555 N HA -0.151 4.588 4.740 -0.001 0.000 0.188 555 N C 1.608 177.145 175.510 0.046 0.000 1.024 555 N CA 1.425 54.497 53.050 0.038 0.000 0.852 555 N CB -0.258 38.251 38.487 0.036 0.000 1.003 555 N HN 0.395 nan 8.380 nan 0.000 0.424 556 E N 0.360 120.598 120.200 0.063 0.000 2.051 556 E HA -0.083 4.266 4.350 -0.001 0.000 0.192 556 E C 2.010 178.660 176.600 0.084 0.000 0.991 556 E CA 0.976 57.419 56.400 0.072 0.000 0.799 556 E CB -0.107 29.646 29.700 0.087 0.000 0.748 556 E HN 0.330 nan 8.360 nan 0.000 0.449 557 M N 0.238 119.902 119.600 0.107 0.000 2.117 557 M HA -0.160 4.319 4.480 -0.001 0.000 0.262 557 M C 2.452 178.796 176.300 0.073 0.000 1.065 557 M CA 1.002 56.382 55.300 0.133 0.000 1.114 557 M CB -0.203 32.473 32.600 0.126 0.000 1.361 557 M HN 0.134 nan 8.290 nan 0.000 0.408 558 L N 0.561 121.805 121.223 0.034 0.000 2.056 558 L HA -0.059 4.280 4.340 -0.001 0.000 0.207 558 L C 2.550 179.427 176.870 0.013 0.000 1.078 558 L CA 1.884 56.729 54.840 0.007 0.000 0.749 558 L CB -0.663 41.393 42.059 -0.004 0.000 0.901 558 L HN 0.189 nan 8.230 nan 0.000 0.433 559 A N -1.098 121.736 122.820 0.024 0.000 1.933 559 A HA -0.273 4.046 4.320 -0.001 0.000 0.218 559 A C 2.312 179.912 177.584 0.025 0.000 1.175 559 A CA 1.760 53.810 52.037 0.021 0.000 0.628 559 A CB -0.691 18.324 19.000 0.025 0.000 0.814 559 A HN 0.657 nan 8.150 nan 0.000 0.444 560 Q N -0.414 119.410 119.800 0.039 0.000 2.084 560 Q HA -0.240 4.100 4.340 -0.001 0.000 0.202 560 Q C 1.292 177.312 176.000 0.033 0.000 0.978 560 Q CA 1.847 57.674 55.803 0.040 0.000 0.844 560 Q CB -0.203 28.569 28.738 0.056 0.000 0.898 560 Q HN 0.581 nan 8.270 nan 0.000 0.426 561 D N 0.412 120.831 120.400 0.033 0.000 2.104 561 D HA -0.174 4.465 4.640 -0.001 0.000 0.194 561 D C 1.864 178.165 176.300 0.001 0.000 0.994 561 D CA 1.179 55.186 54.000 0.011 0.000 0.830 561 D CB -0.037 40.757 40.800 -0.011 0.000 0.959 561 D HN 0.162 nan 8.370 nan 0.000 0.452 562 K N 0.355 120.754 120.400 -0.001 0.000 2.026 562 K HA -0.104 4.216 4.320 -0.001 0.000 0.208 562 K C 2.176 178.776 176.600 0.000 0.000 1.048 562 K CA 0.274 56.557 56.287 -0.005 0.000 0.929 562 K CB -0.899 31.597 32.500 -0.007 0.000 0.713 562 K HN 0.165 nan 8.250 nan 0.000 0.439 563 L N 1.223 122.452 121.223 0.009 0.000 2.012 563 L HA -0.154 4.185 4.340 -0.001 0.000 0.210 563 L C 2.235 179.114 176.870 0.015 0.000 1.073 563 L CA 1.395 56.244 54.840 0.015 0.000 0.748 563 L CB -0.528 41.545 42.059 0.022 0.000 0.891 563 L HN -0.121 nan 8.230 nan 0.000 0.431 564 V N -0.134 119.788 119.914 0.013 0.000 2.295 564 V HA -0.309 3.811 4.120 -0.001 0.000 0.246 564 V C 2.758 178.849 176.094 -0.006 0.000 1.049 564 V CA 1.687 63.992 62.300 0.008 0.000 1.024 564 V CB -1.247 30.582 31.823 0.011 0.000 0.648 564 V HN 0.620 nan 8.190 nan 0.000 0.447 565 A N -0.473 122.343 122.820 -0.007 0.000 1.877 565 A HA -0.252 4.067 4.320 -0.001 0.000 0.216 565 A C 2.156 179.722 177.584 -0.029 0.000 1.186 565 A CA 1.961 53.987 52.037 -0.017 0.000 0.620 565 A CB -0.487 18.504 19.000 -0.015 0.000 0.822 565 A HN 0.630 nan 8.150 nan 0.000 0.443 566 E N -0.793 119.396 120.200 -0.020 0.000 2.031 566 E HA -0.141 4.208 4.350 -0.001 0.000 0.193 566 E C 2.138 178.725 176.600 -0.022 0.000 0.994 566 E CA 1.696 58.084 56.400 -0.021 0.000 0.800 566 E CB -0.402 29.294 29.700 -0.007 0.000 0.752 566 E HN 0.600 nan 8.360 nan 0.000 0.447 567 T N 1.019 115.572 114.554 -0.001 0.000 2.665 567 T HA -0.218 4.132 4.350 -0.001 0.000 0.268 567 T C 1.729 176.350 174.700 -0.130 0.000 1.035 567 T CA 1.597 63.705 62.100 0.013 0.000 1.151 567 T CB -0.266 68.645 68.868 0.071 0.000 0.862 567 T HN 0.207 nan 8.240 nan 0.000 0.438 568 E N 0.368 120.492 120.200 -0.128 0.000 2.077 568 E HA -0.156 4.194 4.350 -0.001 0.000 0.193 568 E C 2.089 178.582 176.600 -0.178 0.000 0.989 568 E CA 1.196 57.488 56.400 -0.180 0.000 0.800 568 E CB -0.128 29.505 29.700 -0.111 0.000 0.746 568 E HN 0.488 nan 8.360 nan 0.000 0.452 569 D N -0.013 120.315 120.400 -0.119 0.000 2.123 569 D HA -0.172 4.467 4.640 -0.001 0.000 0.196 569 D C 1.888 178.118 176.300 -0.117 0.000 0.992 569 D CA 1.105 55.045 54.000 -0.100 0.000 0.833 569 D CB 0.242 40.999 40.800 -0.072 0.000 0.954 569 D HN -0.069 nan 8.370 nan 0.000 0.455 570 R N 0.407 120.834 120.500 -0.121 0.000 2.115 570 R HA -0.058 4.281 4.340 -0.001 0.000 0.230 570 R C 2.246 178.458 176.300 -0.146 0.000 1.111 570 R CA 0.798 56.843 56.100 -0.092 0.000 0.976 570 R CB -0.683 29.628 30.300 0.017 0.000 0.870 570 R HN 0.348 nan 8.270 nan 0.000 0.445 571 K N 1.100 121.237 120.400 -0.438 0.000 2.025 571 K HA -0.115 4.204 4.320 -0.001 0.000 0.207 571 K C 1.923 178.401 176.600 -0.204 0.000 1.049 571 K CA 1.372 57.294 56.287 -0.607 0.000 0.933 571 K CB -0.160 31.742 32.500 -0.997 0.000 0.714 571 K HN 0.093 nan 8.250 nan 0.000 0.438 572 N N -0.198 118.403 118.700 -0.166 0.000 2.120 572 N HA -0.144 4.595 4.740 -0.001 0.000 0.188 572 N C 1.301 176.814 175.510 0.004 0.000 1.024 572 N CA 1.877 54.881 53.050 -0.076 0.000 0.852 572 N CB -0.112 38.326 38.487 -0.081 0.000 1.003 572 N HN 0.199 nan 8.380 nan 0.000 0.424 573 T N 1.961 116.515 114.554 0.001 0.000 2.684 573 T HA -0.152 4.197 4.350 -0.001 0.000 0.267 573 T C 1.930 176.773 174.700 0.239 0.000 1.036 573 T CA 1.001 63.137 62.100 0.060 0.000 1.148 573 T CB -0.372 68.445 68.868 -0.085 0.000 0.863 573 T HN 0.165 nan 8.240 nan 0.000 0.436 574 L N 1.456 122.829 121.223 0.250 0.000 1.989 574 L HA -0.095 4.245 4.340 -0.001 0.000 0.211 574 L C 2.339 179.400 176.870 0.318 0.000 1.071 574 L CA 1.860 56.936 54.840 0.394 0.000 0.749 574 L CB -0.785 41.504 42.059 0.384 0.000 0.890 574 L HN 0.276 nan 8.230 nan 0.000 0.431 575 E N -0.498 119.821 120.200 0.199 0.000 2.070 575 E HA -0.282 4.067 4.350 -0.001 0.000 0.197 575 E C 2.083 178.787 176.600 0.173 0.000 1.004 575 E CA 1.805 58.294 56.400 0.148 0.000 0.805 575 E CB -0.227 29.503 29.700 0.051 0.000 0.744 575 E HN 0.636 nan 8.360 nan 0.000 0.451 576 E N -0.230 120.073 120.200 0.172 0.000 2.150 576 E HA -0.193 4.157 4.350 -0.001 0.000 0.193 576 E C 1.820 178.589 176.600 0.282 0.000 0.985 576 E CA 0.721 57.237 56.400 0.194 0.000 0.814 576 E CB -0.098 29.689 29.700 0.144 0.000 0.752 576 E HN 0.272 nan 8.360 nan 0.000 0.466 577 Y N 1.014 121.422 120.300 0.180 0.000 2.220 577 Y HA -0.145 4.404 4.550 -0.001 0.000 0.291 577 Y C 1.854 177.799 175.900 0.075 0.000 1.129 577 Y CA 1.107 59.288 58.100 0.136 0.000 1.161 577 Y CB -0.064 38.483 38.460 0.146 0.000 0.997 577 Y HN -0.053 nan 8.280 nan 0.000 0.522 578 I N -1.058 119.575 120.570 0.106 0.000 2.163 578 I HA -0.372 3.797 4.170 -0.001 0.000 0.243 578 I C 2.206 178.317 176.117 -0.011 0.000 1.085 578 I CA 1.934 63.242 61.300 0.013 0.000 1.347 578 I CB -0.690 37.380 38.000 0.117 0.000 1.044 578 I HN 0.255 nan 8.210 nan 0.000 0.408 579 Y N 1.867 122.146 120.300 -0.036 0.000 2.097 579 Y HA -0.375 4.174 4.550 -0.001 0.000 0.282 579 Y C 2.966 178.811 175.900 -0.092 0.000 1.152 579 Y CA 2.544 60.619 58.100 -0.043 0.000 1.136 579 Y CB -0.715 37.739 38.460 -0.010 0.000 0.975 579 Y HN 0.322 nan 8.280 nan 0.000 0.498 580 T N -1.617 112.876 114.554 -0.102 0.000 2.904 580 T HA -0.160 4.189 4.350 -0.001 0.000 0.267 580 T C 1.823 176.315 174.700 -0.346 0.000 1.059 580 T CA 1.193 63.153 62.100 -0.233 0.000 1.137 580 T CB -0.807 68.041 68.868 -0.033 0.000 0.879 580 T HN 0.313 nan 8.240 nan 0.000 0.467 581 L N 0.914 121.892 121.223 -0.408 0.000 2.093 581 L HA 0.201 4.540 4.340 -0.001 0.000 0.208 581 L C 2.784 179.465 176.870 -0.316 0.000 1.085 581 L CA 1.393 55.972 54.840 -0.436 0.000 0.755 581 L CB -0.539 41.126 42.059 -0.656 0.000 0.904 581 L HN 0.127 nan 8.230 nan 0.000 0.435 582 R N -0.688 119.643 120.500 -0.282 0.000 2.081 582 R HA -0.091 4.248 4.340 -0.001 0.000 0.235 582 R C 2.159 178.308 176.300 -0.252 0.000 1.131 582 R CA 1.230 57.200 56.100 -0.218 0.000 0.960 582 R CB -0.965 29.230 30.300 -0.176 0.000 0.856 582 R HN 0.563 nan 8.270 nan 0.000 0.436 583 G N 1.394 109.984 108.800 -0.350 0.000 2.421 583 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.216 583 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.216 583 G C 1.317 176.023 174.900 -0.323 0.000 1.171 583 G CA 0.564 45.458 45.100 -0.344 0.000 0.775 583 G HN 0.258 nan 8.290 nan 0.000 0.543 584 K N -0.184 119.962 120.400 -0.424 0.000 2.148 584 K HA 0.117 4.436 4.320 -0.001 0.000 0.204 584 K C 2.391 178.714 176.600 -0.462 0.000 1.050 584 K CA 0.457 56.370 56.287 -0.623 0.000 0.942 584 K CB -0.221 31.597 32.500 -1.137 0.000 0.724 584 K HN 0.261 nan 8.250 nan 0.000 0.446 585 L N 1.046 122.114 121.223 -0.258 0.000 2.362 585 L HA -0.142 4.197 4.340 -0.001 0.000 0.219 585 L C 1.933 178.758 176.870 -0.076 0.000 1.134 585 L CA 0.822 55.618 54.840 -0.073 0.000 0.807 585 L CB -0.130 41.906 42.059 -0.039 0.000 0.927 585 L HN 0.158 nan 8.230 nan 0.000 0.447 586 E N -0.451 119.674 120.200 -0.126 0.000 2.340 586 E HA -0.039 4.310 4.350 -0.001 0.000 0.194 586 E C 1.387 177.931 176.600 -0.094 0.000 0.996 586 E CA 0.594 56.934 56.400 -0.099 0.000 0.869 586 E CB 0.459 30.095 29.700 -0.108 0.000 0.835 586 E HN 0.594 nan 8.360 nan 0.000 0.493 587 E N 0.213 120.335 120.200 -0.129 0.000 2.419 587 E HA 0.042 4.391 4.350 -0.001 0.000 0.197 587 E C 1.293 177.849 176.600 -0.073 0.000 0.920 587 E CA 0.238 56.574 56.400 -0.107 0.000 1.085 587 E CB 0.415 30.033 29.700 -0.136 0.000 1.084 587 E HN 0.025 nan 8.360 nan 0.000 0.490 588 E N -0.449 119.672 120.200 -0.132 0.000 2.399 588 E HA 0.057 4.406 4.350 -0.001 0.000 0.205 588 E C 0.797 177.571 176.600 0.290 0.000 0.906 588 E CA 0.181 56.574 56.400 -0.013 0.000 0.998 588 E CB 0.400 29.917 29.700 -0.305 0.000 1.002 588 E HN 0.137 nan 8.360 nan 0.000 0.501 589 Y N 0.244 120.540 120.300 -0.007 0.000 2.457 589 Y HA 0.405 4.954 4.550 -0.001 0.000 0.263 589 Y C 1.927 177.867 175.900 0.067 0.000 1.164 589 Y CA -0.341 57.845 58.100 0.143 0.000 1.274 589 Y CB -0.584 37.892 38.460 0.027 0.000 1.097 589 Y HN 0.059 nan 8.280 nan 0.000 0.523 590 A N 1.349 124.229 122.820 0.099 0.000 1.892 590 A HA -0.158 4.161 4.320 -0.001 0.000 0.218 590 A C -0.085 177.430 177.584 -0.116 0.000 1.188 590 A CA 1.674 53.702 52.037 -0.015 0.000 0.631 590 A CB -1.614 17.359 19.000 -0.045 0.000 0.822 590 A HN 0.253 nan 8.150 nan 0.000 0.447 591 P HA 0.006 nan 4.420 nan 0.000 0.229 591 P C 0.277 177.286 177.300 -0.484 0.000 1.160 591 P CA 0.632 63.423 63.100 -0.514 0.000 0.777 591 P CB -0.071 31.117 31.700 -0.853 0.000 0.814 592 F N -0.764 119.218 119.950 0.054 0.000 2.641 592 F HA 0.486 5.012 4.527 -0.001 0.000 0.302 592 F C 0.923 176.723 175.800 0.001 0.000 1.098 592 F CA -0.682 57.332 58.000 0.023 0.000 1.318 592 F CB -0.210 38.800 39.000 0.016 0.000 1.035 592 F HN -0.197 nan 8.300 nan 0.000 0.551 593 A N 0.000 122.885 122.820 0.107 0.000 2.398 593 A HA 0.630 4.949 4.320 -0.001 0.000 0.301 593 A C 0.127 177.729 177.584 0.030 0.000 1.041 593 A CA -0.584 51.494 52.037 0.069 0.000 0.711 593 A CB 0.758 19.802 19.000 0.073 0.000 1.240 593 A HN 0.106 nan 8.150 nan 0.000 0.420 594 S N 0.979 116.694 115.700 0.024 0.000 2.608 594 S HA 0.447 4.916 4.470 -0.001 0.000 0.261 594 S C 1.161 175.766 174.600 0.007 0.000 1.314 594 S CA 0.603 58.809 58.200 0.011 0.000 0.992 594 S CB 0.368 63.575 63.200 0.011 0.000 0.935 594 S HN 1.318 nan 8.310 nan 0.000 0.564 595 D N 0.748 121.149 120.400 0.001 0.000 2.158 595 D HA -0.025 4.614 4.640 -0.001 0.000 0.197 595 D C 2.119 178.420 176.300 0.003 0.000 0.995 595 D CA 2.034 56.034 54.000 -0.000 0.000 0.846 595 D CB -0.986 39.813 40.800 -0.003 0.000 0.941 595 D HN 0.892 nan 8.370 nan 0.000 0.456 596 A N -0.087 122.735 122.820 0.005 0.000 1.930 596 A HA 0.065 4.384 4.320 -0.001 0.000 0.215 596 A C 2.083 179.671 177.584 0.008 0.000 1.176 596 A CA 1.705 53.745 52.037 0.005 0.000 0.632 596 A CB -0.222 18.781 19.000 0.005 0.000 0.819 596 A HN 0.515 nan 8.150 nan 0.000 0.445 597 E N -0.406 119.801 120.200 0.011 0.000 2.107 597 E HA -0.160 4.190 4.350 -0.001 0.000 0.191 597 E C 2.011 178.620 176.600 0.015 0.000 0.982 597 E CA 1.260 57.668 56.400 0.014 0.000 0.809 597 E CB -0.049 29.663 29.700 0.020 0.000 0.756 597 E HN 0.508 nan 8.360 nan 0.000 0.459 598 K N 0.114 120.523 120.400 0.015 0.000 2.009 598 K HA -0.145 4.174 4.320 -0.001 0.000 0.210 598 K C 2.302 178.905 176.600 0.006 0.000 1.049 598 K CA 2.028 58.323 56.287 0.013 0.000 0.929 598 K CB -0.281 32.224 32.500 0.008 0.000 0.714 598 K HN 0.224 nan 8.250 nan 0.000 0.440 599 T N -1.414 113.142 114.554 0.004 0.000 2.951 599 T HA -0.073 4.276 4.350 -0.001 0.000 0.268 599 T C 1.808 176.511 174.700 0.005 0.000 1.073 599 T CA 1.210 63.312 62.100 0.003 0.000 1.134 599 T CB -0.122 68.748 68.868 0.002 0.000 0.884 599 T HN 0.107 nan 8.240 nan 0.000 0.479 600 K N 0.980 121.384 120.400 0.006 0.000 2.057 600 K HA 0.075 4.394 4.320 -0.001 0.000 0.206 600 K C 2.100 178.704 176.600 0.006 0.000 1.050 600 K CA 1.100 57.391 56.287 0.006 0.000 0.935 600 K CB -0.845 31.658 32.500 0.006 0.000 0.715 600 K HN 0.339 nan 8.250 nan 0.000 0.439 601 L N 0.931 122.158 121.223 0.006 0.000 2.109 601 L HA 0.013 4.352 4.340 -0.001 0.000 0.207 601 L C 2.234 179.103 176.870 -0.001 0.000 1.086 601 L CA 1.671 56.513 54.840 0.004 0.000 0.760 601 L CB -0.790 41.272 42.059 0.006 0.000 0.910 601 L HN 0.323 nan 8.230 nan 0.000 0.437 602 Q N -0.487 119.312 119.800 -0.001 0.000 2.061 602 Q HA -0.128 4.211 4.340 -0.001 0.000 0.204 602 Q C 2.100 178.105 176.000 0.008 0.000 0.984 602 Q CA 2.112 57.913 55.803 -0.003 0.000 0.846 602 Q CB -0.742 27.994 28.738 -0.004 0.000 0.902 602 Q HN 0.595 nan 8.270 nan 0.000 0.421 603 G N -0.253 108.554 108.800 0.012 0.000 2.418 603 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.217 603 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.217 603 G C 1.336 176.251 174.900 0.025 0.000 1.158 603 G CA 0.947 46.059 45.100 0.019 0.000 0.771 603 G HN 0.293 nan 8.290 nan 0.000 0.545 604 M N -0.151 119.460 119.600 0.018 0.000 2.175 604 M HA 0.085 4.565 4.480 -0.001 0.000 0.264 604 M C 2.579 178.899 176.300 0.032 0.000 1.063 604 M CA 0.880 56.191 55.300 0.019 0.000 1.119 604 M CB -0.334 32.271 32.600 0.007 0.000 1.377 604 M HN 0.160 nan 8.290 nan 0.000 0.415 605 L N 0.147 121.387 121.223 0.027 0.000 2.012 605 L HA -0.291 4.049 4.340 -0.001 0.000 0.210 605 L C 2.223 179.136 176.870 0.071 0.000 1.073 605 L CA 1.143 56.006 54.840 0.038 0.000 0.748 605 L CB -0.905 41.156 42.059 0.003 0.000 0.891 605 L HN 0.354 nan 8.230 nan 0.000 0.431 606 N N -0.138 118.600 118.700 0.063 0.000 2.069 606 N HA -0.172 4.567 4.740 -0.001 0.000 0.191 606 N C 1.810 177.389 175.510 0.115 0.000 1.031 606 N CA 1.125 54.226 53.050 0.085 0.000 0.852 606 N CB -0.235 38.289 38.487 0.061 0.000 1.018 606 N HN 0.179 nan 8.380 nan 0.000 0.423 607 K N 1.158 121.616 120.400 0.097 0.000 2.103 607 K HA 0.018 4.337 4.320 -0.001 0.000 0.207 607 K C 1.925 178.631 176.600 0.177 0.000 1.048 607 K CA 0.899 57.257 56.287 0.118 0.000 0.930 607 K CB -0.535 32.007 32.500 0.071 0.000 0.716 607 K HN 0.179 nan 8.250 nan 0.000 0.444 608 A N 1.189 124.101 122.820 0.154 0.000 1.902 608 A HA -0.212 4.107 4.320 -0.001 0.000 0.217 608 A C 2.197 179.982 177.584 0.337 0.000 1.181 608 A CA 1.904 54.071 52.037 0.216 0.000 0.623 608 A CB -0.445 18.644 19.000 0.149 0.000 0.818 608 A HN 0.483 nan 8.150 nan 0.000 0.443 609 E N 0.017 120.373 120.200 0.260 0.000 2.077 609 E HA -0.237 4.112 4.350 -0.001 0.000 0.193 609 E C 1.862 178.683 176.600 0.368 0.000 0.989 609 E CA 1.531 58.094 56.400 0.271 0.000 0.800 609 E CB -0.189 29.650 29.700 0.231 0.000 0.746 609 E HN 0.734 nan 8.360 nan 0.000 0.452 610 E N -0.329 120.076 120.200 0.342 0.000 2.077 610 E HA -0.209 4.140 4.350 -0.001 0.000 0.193 610 E C 1.627 178.445 176.600 0.364 0.000 0.989 610 E CA 1.209 57.813 56.400 0.341 0.000 0.800 610 E CB -0.324 29.508 29.700 0.219 0.000 0.746 610 E HN 0.466 nan 8.360 nan 0.000 0.452 611 W N 1.523 122.921 121.300 0.164 0.000 2.355 611 W HA -0.174 4.485 4.660 -0.001 0.000 0.309 611 W C 1.719 178.340 176.519 0.169 0.000 1.206 611 W CA 1.299 58.727 57.345 0.139 0.000 1.284 611 W CB -0.308 29.212 29.460 0.099 0.000 1.145 611 W HN -0.040 nan 8.180 nan 0.000 0.502 612 L N -0.456 120.901 121.223 0.223 0.000 2.129 612 L HA -0.290 4.050 4.340 -0.001 0.000 0.212 612 L C 2.266 179.117 176.870 -0.032 0.000 1.087 612 L CA 1.515 56.350 54.840 -0.007 0.000 0.757 612 L CB -0.936 41.178 42.059 0.093 0.000 0.896 612 L HN 0.066 nan 8.230 nan 0.000 0.434 613 Y N -0.893 119.457 120.300 0.084 0.000 2.314 613 Y HA -0.201 4.348 4.550 -0.001 0.000 0.293 613 Y C 2.190 178.091 175.900 0.001 0.000 1.129 613 Y CA 1.162 59.308 58.100 0.077 0.000 1.201 613 Y CB 0.078 38.569 38.460 0.051 0.000 0.999 613 Y HN 0.254 nan 8.280 nan 0.000 0.541 614 D N -0.796 119.660 120.400 0.093 0.000 2.910 614 D HA -0.011 4.628 4.640 -0.001 0.000 0.241 614 D C 1.407 177.634 176.300 -0.121 0.000 1.346 614 D CA 0.544 54.542 54.000 -0.002 0.000 1.227 614 D CB -0.137 40.685 40.800 0.036 0.000 0.926 614 D HN 0.029 nan 8.370 nan 0.000 0.212 615 E N -0.548 119.506 120.200 -0.243 0.000 2.274 615 E HA 0.115 4.464 4.350 -0.001 0.000 0.194 615 E C 1.574 177.729 176.600 -0.742 0.000 0.996 615 E CA 0.791 57.004 56.400 -0.312 0.000 0.840 615 E CB -0.036 29.627 29.700 -0.061 0.000 0.772 615 E HN 0.353 nan 8.360 nan 0.000 0.491 616 G N -0.286 107.583 108.800 -1.551 0.000 2.985 616 G HA2 -0.137 3.823 3.960 -0.001 0.000 0.209 616 G HA3 -0.137 3.823 3.960 -0.001 0.000 0.209 616 G C 0.980 175.544 174.900 -0.561 0.000 1.165 616 G CA -0.375 43.580 45.100 -1.910 0.000 0.776 616 G HN 0.178 nan 8.290 nan 0.000 0.541 617 F N 1.229 120.938 119.950 -0.403 0.000 2.102 617 F HA 0.010 4.536 4.527 -0.001 0.000 0.298 617 F C 0.627 176.392 175.800 -0.059 0.000 1.105 617 F CA 1.450 59.349 58.000 -0.170 0.000 1.239 617 F CB 0.450 39.383 39.000 -0.113 0.000 0.991 617 F HN 0.180 nan 8.300 nan 0.000 0.474 618 D N 0.199 120.585 120.400 -0.023 0.000 2.621 618 D HA 0.192 4.831 4.640 -0.001 0.000 0.274 618 D C -0.793 175.526 176.300 0.032 0.000 1.215 618 D CA -0.050 53.935 54.000 -0.024 0.000 0.810 618 D CB 0.516 41.345 40.800 0.048 0.000 1.248 618 D HN 0.103 nan 8.370 nan 0.000 0.517 619 S N 0.947 116.681 115.700 0.056 0.000 2.748 619 S HA 0.714 5.184 4.470 -0.001 0.000 0.299 619 S C 0.307 174.934 174.600 0.046 0.000 1.119 619 S CA -0.846 57.304 58.200 -0.083 0.000 0.997 619 S CB 0.525 63.465 63.200 -0.434 0.000 1.223 619 S HN 0.390 nan 8.310 nan 0.000 0.541 620 I N 0.218 120.778 120.570 -0.017 0.000 2.577 620 I HA 0.511 4.680 4.170 -0.001 0.000 0.300 620 I C 1.271 177.454 176.117 0.109 0.000 0.990 620 I CA -0.683 60.657 61.300 0.067 0.000 1.283 620 I CB 0.899 38.925 38.000 0.044 0.000 1.411 620 I HN 0.779 nan 8.210 nan 0.000 0.515 621 K N 3.747 124.262 120.400 0.193 0.000 2.074 621 K HA -0.210 4.109 4.320 -0.001 0.000 0.209 621 K C 1.910 178.610 176.600 0.168 0.000 1.048 621 K CA 2.171 58.605 56.287 0.245 0.000 0.926 621 K CB -0.248 32.334 32.500 0.136 0.000 0.713 621 K HN 0.892 nan 8.250 nan 0.000 0.444 622 A N 0.926 123.795 122.820 0.082 0.000 1.972 622 A HA -0.149 4.170 4.320 -0.001 0.000 0.219 622 A C 1.808 179.406 177.584 0.022 0.000 1.169 622 A CA 1.579 53.644 52.037 0.045 0.000 0.635 622 A CB -0.281 18.734 19.000 0.026 0.000 0.810 622 A HN 0.346 nan 8.150 nan 0.000 0.446 623 K N -1.563 118.832 120.400 -0.009 0.000 2.103 623 K HA -0.071 4.248 4.320 -0.001 0.000 0.204 623 K C 1.708 178.261 176.600 -0.078 0.000 1.052 623 K CA 1.339 57.588 56.287 -0.064 0.000 0.945 623 K CB -0.286 32.216 32.500 0.003 0.000 0.722 623 K HN 0.587 nan 8.250 nan 0.000 0.443 624 Y N 1.203 121.631 120.300 0.213 0.000 2.200 624 Y HA -0.138 4.411 4.550 -0.001 0.000 0.290 624 Y C 2.036 177.995 175.900 0.098 0.000 1.137 624 Y CA 0.848 59.073 58.100 0.208 0.000 1.163 624 Y CB -0.387 38.184 38.460 0.186 0.000 0.988 624 Y HN -0.021 nan 8.280 nan 0.000 0.518 625 I N -0.595 120.086 120.570 0.185 0.000 2.202 625 I HA -0.287 3.883 4.170 -0.001 0.000 0.242 625 I C 2.605 178.766 176.117 0.075 0.000 1.091 625 I CA 1.150 62.501 61.300 0.085 0.000 1.368 625 I CB -0.784 37.236 38.000 0.033 0.000 1.058 625 I HN 0.163 nan 8.210 nan 0.000 0.410 626 A N 0.850 123.682 122.820 0.020 0.000 1.908 626 A HA -0.212 4.108 4.320 -0.001 0.000 0.218 626 A C 2.335 179.890 177.584 -0.049 0.000 1.181 626 A CA 1.587 53.610 52.037 -0.024 0.000 0.627 626 A CB -0.385 18.575 19.000 -0.066 0.000 0.818 626 A HN 0.238 nan 8.150 nan 0.000 0.445 627 K N -1.509 118.831 120.400 -0.099 0.000 2.057 627 K HA -0.130 4.189 4.320 -0.001 0.000 0.206 627 K C 1.885 178.495 176.600 0.016 0.000 1.050 627 K CA 1.581 57.776 56.287 -0.152 0.000 0.935 627 K CB -0.606 31.698 32.500 -0.327 0.000 0.715 627 K HN 0.710 nan 8.250 nan 0.000 0.439 628 Y N 2.460 122.746 120.300 -0.023 0.000 2.145 628 Y HA -0.217 4.332 4.550 -0.001 0.000 0.286 628 Y C 2.044 177.900 175.900 -0.074 0.000 1.145 628 Y CA 1.760 59.843 58.100 -0.029 0.000 1.148 628 Y CB 0.056 38.480 38.460 -0.059 0.000 0.981 628 Y HN 0.153 nan 8.280 nan 0.000 0.507 629 E N -0.067 120.248 120.200 0.191 0.000 2.153 629 E HA -0.266 4.083 4.350 -0.001 0.000 0.194 629 E C 2.080 178.678 176.600 -0.002 0.000 0.988 629 E CA 1.278 57.734 56.400 0.093 0.000 0.811 629 E CB -0.180 29.570 29.700 0.083 0.000 0.746 629 E HN 0.637 nan 8.360 nan 0.000 0.466 630 E N 0.946 121.136 120.200 -0.017 0.000 2.051 630 E HA -0.186 4.164 4.350 -0.001 0.000 0.192 630 E C 2.133 178.719 176.600 -0.023 0.000 0.991 630 E CA 0.712 57.094 56.400 -0.029 0.000 0.799 630 E CB 0.046 29.714 29.700 -0.052 0.000 0.748 630 E HN 0.198 nan 8.360 nan 0.000 0.449 631 L N 0.241 121.449 121.223 -0.023 0.000 2.027 631 L HA -0.136 4.203 4.340 -0.001 0.000 0.206 631 L C 2.647 179.550 176.870 0.055 0.000 1.074 631 L CA 1.111 55.969 54.840 0.030 0.000 0.745 631 L CB -0.418 41.705 42.059 0.106 0.000 0.898 631 L HN 0.204 nan 8.230 nan 0.000 0.433 632 A N 0.011 122.787 122.820 -0.073 0.000 1.969 632 A HA -0.186 4.133 4.320 -0.001 0.000 0.218 632 A C 2.509 180.091 177.584 -0.003 0.000 1.169 632 A CA 1.619 53.613 52.037 -0.071 0.000 0.635 632 A CB -0.642 18.163 19.000 -0.325 0.000 0.810 632 A HN 0.522 nan 8.150 nan 0.000 0.445 633 S N -0.646 115.047 115.700 -0.010 0.000 2.400 633 S HA -0.136 4.333 4.470 -0.001 0.000 0.232 633 S C 1.638 176.242 174.600 0.007 0.000 1.025 633 S CA 1.651 59.852 58.200 0.001 0.000 0.993 633 S CB -0.348 62.851 63.200 -0.003 0.000 0.808 633 S HN 0.232 nan 8.310 nan 0.000 0.478 634 L N 1.719 122.951 121.223 0.014 0.000 2.145 634 L HA 0.381 4.721 4.340 -0.001 0.000 0.201 634 L C 2.790 179.675 176.870 0.026 0.000 1.075 634 L CA 1.514 56.364 54.840 0.016 0.000 0.773 634 L CB -1.651 40.418 42.059 0.016 0.000 0.936 634 L HN 0.451 nan 8.230 nan 0.000 0.451 635 G N -0.517 108.319 108.800 0.060 0.000 2.422 635 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.218 635 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.218 635 G C 1.425 176.359 174.900 0.056 0.000 1.146 635 G CA 0.590 45.745 45.100 0.091 0.000 0.769 635 G HN 0.366 nan 8.290 nan 0.000 0.547 636 N N 0.683 119.415 118.700 0.053 0.000 2.309 636 N HA -0.022 4.717 4.740 -0.001 0.000 0.182 636 N C 2.166 177.656 175.510 -0.034 0.000 1.018 636 N CA 0.527 53.588 53.050 0.018 0.000 0.876 636 N CB -0.174 38.328 38.487 0.024 0.000 0.972 636 N HN 0.373 nan 8.380 nan 0.000 0.434 637 I N 0.862 121.414 120.570 -0.030 0.000 2.163 637 I HA -0.242 3.927 4.170 -0.001 0.000 0.243 637 I C 1.944 178.008 176.117 -0.087 0.000 1.085 637 I CA 1.074 62.348 61.300 -0.044 0.000 1.347 637 I CB -0.210 37.777 38.000 -0.021 0.000 1.044 637 I HN 0.031 nan 8.210 nan 0.000 0.408 638 I N 0.354 120.854 120.570 -0.117 0.000 2.202 638 I HA -0.263 3.906 4.170 -0.001 0.000 0.242 638 I C 2.776 178.610 176.117 -0.470 0.000 1.091 638 I CA 1.170 62.344 61.300 -0.211 0.000 1.368 638 I CB -0.420 37.486 38.000 -0.157 0.000 1.058 638 I HN 0.181 nan 8.210 nan 0.000 0.410 639 R N 1.503 121.680 120.500 -0.538 0.000 2.105 639 R HA -0.147 4.192 4.340 -0.001 0.000 0.239 639 R C 2.275 178.446 176.300 -0.215 0.000 1.135 639 R CA 1.783 57.590 56.100 -0.489 0.000 0.967 639 R CB -0.703 29.511 30.300 -0.143 0.000 0.861 639 R HN 0.373 nan 8.270 nan 0.000 0.442 640 G N 0.545 109.244 108.800 -0.167 0.000 2.446 640 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.217 640 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.217 640 G C 1.402 176.182 174.900 -0.201 0.000 1.168 640 G CA 0.932 45.952 45.100 -0.133 0.000 0.771 640 G HN 0.347 nan 8.290 nan 0.000 0.551 641 R N -0.976 119.375 120.500 -0.247 0.000 2.081 641 R HA -0.074 4.265 4.340 -0.001 0.000 0.235 641 R C 2.364 178.207 176.300 -0.761 0.000 1.131 641 R CA 1.395 57.293 56.100 -0.338 0.000 0.960 641 R CB -0.649 29.544 30.300 -0.179 0.000 0.856 641 R HN 0.528 nan 8.270 nan 0.000 0.436 642 Y N 1.068 120.709 120.300 -1.098 0.000 2.128 642 Y HA -0.209 4.340 4.550 -0.001 0.000 0.284 642 Y C 1.829 177.396 175.900 -0.554 0.000 1.154 642 Y CA 1.320 58.672 58.100 -1.248 0.000 1.149 642 Y CB -0.217 37.866 38.460 -0.629 0.000 0.976 642 Y HN -0.060 nan 8.280 nan 0.000 0.505 643 L N 0.394 121.348 121.223 -0.448 0.000 2.275 643 L HA -0.014 4.325 4.340 -0.001 0.000 0.215 643 L C 2.485 179.172 176.870 -0.306 0.000 1.119 643 L CA 1.637 56.263 54.840 -0.357 0.000 0.790 643 L CB -1.328 40.658 42.059 -0.121 0.000 0.919 643 L HN 0.424 nan 8.230 nan 0.000 0.443 644 A N -1.347 121.295 122.820 -0.297 0.000 1.930 644 A HA -0.165 4.154 4.320 -0.001 0.000 0.215 644 A C 2.402 179.869 177.584 -0.196 0.000 1.176 644 A CA 1.292 53.207 52.037 -0.204 0.000 0.632 644 A CB -0.280 18.623 19.000 -0.162 0.000 0.819 644 A HN 0.337 nan 8.150 nan 0.000 0.445 645 K N -0.532 119.705 120.400 -0.272 0.000 2.243 645 K HA -0.050 4.269 4.320 -0.001 0.000 0.201 645 K C 1.525 178.019 176.600 -0.177 0.000 1.051 645 K CA 0.732 56.924 56.287 -0.158 0.000 0.970 645 K CB 0.034 32.514 32.500 -0.033 0.000 0.755 645 K HN 0.263 nan 8.250 nan 0.000 0.465 646 E N 1.078 121.078 120.200 -0.333 0.000 2.153 646 E HA -0.185 4.165 4.350 -0.001 0.000 0.194 646 E C 1.517 178.019 176.600 -0.163 0.000 0.988 646 E CA 1.149 57.372 56.400 -0.294 0.000 0.811 646 E CB 0.123 29.536 29.700 -0.478 0.000 0.746 646 E HN 0.440 nan 8.360 nan 0.000 0.466 647 E N 0.391 120.503 120.200 -0.147 0.000 2.158 647 E HA -0.109 4.240 4.350 -0.001 0.000 0.191 647 E C 1.867 178.429 176.600 -0.064 0.000 0.982 647 E CA 0.482 56.828 56.400 -0.091 0.000 0.823 647 E CB 0.037 29.686 29.700 -0.084 0.000 0.766 647 E HN 0.342 nan 8.360 nan 0.000 0.468 648 E N 1.006 121.168 120.200 -0.063 0.000 2.150 648 E HA -0.153 4.196 4.350 -0.001 0.000 0.193 648 E C 1.844 178.428 176.600 -0.026 0.000 0.985 648 E CA 0.809 57.187 56.400 -0.036 0.000 0.814 648 E CB 0.044 29.728 29.700 -0.026 0.000 0.752 648 E HN 0.102 nan 8.360 nan 0.000 0.466 649 K N 1.027 121.408 120.400 -0.031 0.000 2.097 649 K HA -0.061 4.258 4.320 -0.001 0.000 0.205 649 K C 1.335 177.926 176.600 -0.016 0.000 1.050 649 K CA 0.766 57.042 56.287 -0.017 0.000 0.938 649 K CB 0.060 32.551 32.500 -0.015 0.000 0.718 649 K HN -0.119 nan 8.250 nan 0.000 0.442 650 K N 0.438 120.822 120.400 -0.026 0.000 2.836 650 K HA -0.048 4.271 4.320 -0.001 0.000 0.236 650 K C 1.212 177.802 176.600 -0.017 0.000 1.015 650 K CA 0.447 56.722 56.287 -0.020 0.000 1.194 650 K CB 0.411 32.896 32.500 -0.026 0.000 1.002 650 K HN 0.228 nan 8.250 nan 0.000 0.479 651 Q N -0.926 118.865 119.800 -0.014 0.000 2.340 651 Q HA 0.282 4.622 4.340 -0.001 0.000 0.173 651 Q C 0.558 176.554 176.000 -0.007 0.000 0.692 651 Q CA 0.234 56.030 55.803 -0.011 0.000 0.904 651 Q CB -0.006 28.723 28.738 -0.015 0.000 1.228 651 Q HN 0.315 nan 8.270 nan 0.000 0.387 652 A N 0.000 122.816 122.820 -0.006 0.000 2.254 652 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 652 A CA 0.000 52.035 52.037 -0.003 0.000 0.836 652 A CB 0.000 19.000 19.000 -0.001 0.000 0.831 652 A HN 0.000 nan 8.150 nan 0.000 0.486