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 1t90_1_D DATA FIRST_RESID 3 DATA SEQUENCE EIRKLKNYIN GEWVESKTDQ YEDVVNPATK EVLCQVPIST KEDIDYAAQT DATA SEQUENCE AAEAFKTWSK VAVPRRARIL FNFQQLLSQH KEELAHLITI ENGKNTKEAL DATA SEQUENCE GEVGRGIENV EFAAGAPSLM MGDSLASIAT DVEAANYRYP IGVVGGIAPF DATA SEQUENCE NFPMMVPCWM FPMAIALGNT FILKPSERTP LLTEKLVELF EKAGLPKGVF DATA SEQUENCE NVVYGAHDVV NGILEHPEIK AISFVGSKPV GEYVYKKGSE NLKRVQSLTG DATA SEQUENCE AKNHTIVLND ANLEDTVTNI VGAAFGSAGE RCMACAVVTV EEGIADEFMA DATA SEQUENCE KLQEKVADIK IGNGLDDGVF LGPVIREDNK KRTLSYIEKG LEEGARLVCD DATA SEQUENCE GRENVSDDGY FVGPTIFDNV TTEMTIWKDE IFAPVLSVIR VKNLKEAIEI DATA SEQUENCE ANKSEFANGA CLFTSNSNAI RYFRENIDAG MLGINLGVPA PMAFFPFSGW DATA SEQUENCE KSSFFGTLHA NGKDSVDFYT RKKVVTARYP APDF 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 E HA 0.000 nan 4.350 nan 0.000 0.291 3 E C 0.000 176.574 176.600 -0.044 0.000 1.382 3 E CA 0.000 56.377 56.400 -0.038 0.000 0.976 3 E CB 0.000 29.677 29.700 -0.038 0.000 0.812 4 I N 3.669 124.207 120.570 -0.053 0.000 2.371 4 I HA 0.289 4.459 4.170 -0.000 0.000 0.290 4 I C 0.817 176.886 176.117 -0.080 0.000 1.028 4 I CA -0.184 61.081 61.300 -0.059 0.000 1.345 4 I CB 0.778 38.744 38.000 -0.057 0.000 1.407 4 I HN 0.569 nan 8.210 nan 0.000 0.501 5 R N 5.774 126.227 120.500 -0.078 0.000 2.389 5 R HA 0.177 4.517 4.340 -0.000 0.000 0.295 5 R C -0.374 175.859 176.300 -0.112 0.000 1.075 5 R CA -0.341 55.703 56.100 -0.093 0.000 1.005 5 R CB 0.651 30.899 30.300 -0.088 0.000 0.987 5 R HN 0.495 nan 8.270 nan 0.000 0.452 6 K N 4.377 124.697 120.400 -0.134 0.000 2.234 6 K HA 0.184 4.504 4.320 -0.000 0.000 0.277 6 K C -0.642 175.921 176.600 -0.062 0.000 1.038 6 K CA -0.698 55.501 56.287 -0.147 0.000 0.888 6 K CB 1.086 33.410 32.500 -0.293 0.000 1.091 6 K HN 0.296 nan 8.250 nan 0.000 0.467 7 L N 3.074 124.277 121.223 -0.033 0.000 2.436 7 L HA 0.202 4.542 4.340 -0.000 0.000 0.265 7 L C 0.412 177.361 176.870 0.132 0.000 1.168 7 L CA 0.522 55.331 54.840 -0.052 0.000 0.815 7 L CB 0.340 42.257 42.059 -0.237 0.000 1.109 7 L HN 0.473 nan 8.230 nan 0.000 0.462 8 K N 0.830 121.365 120.400 0.225 0.000 2.280 8 K HA 0.453 4.773 4.320 -0.000 0.000 0.234 8 K C -0.634 176.378 176.600 0.686 0.000 1.028 8 K CA -0.815 55.724 56.287 0.420 0.000 0.882 8 K CB 1.145 33.903 32.500 0.430 0.000 1.194 8 K HN 0.502 nan 8.250 nan 0.000 0.458 9 N N -0.172 118.837 118.700 0.515 0.000 2.458 9 N HA 0.182 4.922 4.740 -0.000 0.000 0.271 9 N C -1.502 174.145 175.510 0.228 0.000 1.210 9 N CA -0.441 52.819 53.050 0.349 0.000 0.978 9 N CB 0.549 39.138 38.487 0.171 0.000 1.206 9 N HN 0.352 nan 8.380 nan 0.000 0.536 10 Y N 1.621 121.727 120.300 -0.323 0.000 2.426 10 Y HA 0.500 5.050 4.550 -0.000 0.000 0.325 10 Y C -1.424 174.161 175.900 -0.526 0.000 0.989 10 Y CA -0.547 57.118 58.100 -0.725 0.000 1.284 10 Y CB 0.287 37.949 38.460 -1.330 0.000 1.104 10 Y HN 0.333 nan 8.280 nan 0.000 0.481 11 I N 5.069 125.242 120.570 -0.662 0.000 2.498 11 I HA 0.258 4.427 4.170 -0.000 0.000 0.290 11 I C -0.103 175.611 176.117 -0.671 0.000 1.032 11 I CA -1.217 59.712 61.300 -0.618 0.000 1.073 11 I CB 1.855 39.555 38.000 -0.501 0.000 1.251 11 I HN 0.636 nan 8.210 nan 0.000 0.426 12 N N 4.472 122.797 118.700 -0.625 0.000 2.758 12 N HA -0.168 4.572 4.740 -0.000 0.000 0.248 12 N C 0.680 175.874 175.510 -0.527 0.000 1.076 12 N CA 1.263 54.031 53.050 -0.470 0.000 0.696 12 N CB -0.791 37.509 38.487 -0.311 0.000 0.979 12 N HN 1.184 nan 8.380 nan 0.000 0.550 13 G N -0.533 107.766 108.800 -0.836 0.000 2.273 13 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.280 13 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.280 13 G C -0.267 174.226 174.900 -0.678 0.000 1.047 13 G CA 0.853 45.508 45.100 -0.741 0.000 0.869 13 G HN 0.754 nan 8.290 nan 0.000 0.502 14 E N -1.575 117.979 120.200 -1.076 0.000 2.352 14 E HA 0.411 4.761 4.350 -0.000 0.000 0.280 14 E C -0.882 175.483 176.600 -0.392 0.000 0.930 14 E CA -1.141 54.996 56.400 -0.438 0.000 0.765 14 E CB 1.182 30.754 29.700 -0.213 0.000 1.219 14 E HN 0.217 nan 8.360 nan 0.000 0.434 15 W N 3.915 125.297 121.300 0.136 0.000 2.345 15 W HA 0.365 5.025 4.660 0.000 0.000 0.308 15 W C -0.208 176.368 176.519 0.096 0.000 1.273 15 W CA -0.357 57.098 57.345 0.183 0.000 1.243 15 W CB 1.058 30.631 29.460 0.188 0.000 1.260 15 W HN 0.194 nan 8.180 nan 0.000 0.509 16 V N 0.787 120.875 119.914 0.290 0.000 2.709 16 V HA 0.422 4.542 4.120 -0.000 0.000 0.308 16 V C -0.343 175.884 176.094 0.222 0.000 1.062 16 V CA -1.639 60.784 62.300 0.205 0.000 0.901 16 V CB 1.525 33.433 31.823 0.142 0.000 1.003 16 V HN 0.570 nan 8.190 nan 0.000 0.425 17 E N 2.883 123.192 120.200 0.181 0.000 2.415 17 E HA 0.251 4.601 4.350 -0.000 0.000 0.263 17 E C 0.456 177.153 176.600 0.163 0.000 0.995 17 E CA 0.062 56.572 56.400 0.184 0.000 0.915 17 E CB 0.920 30.707 29.700 0.146 0.000 0.951 17 E HN 1.025 nan 8.360 nan 0.000 0.449 18 S N 3.155 118.966 115.700 0.185 0.000 2.576 18 S HA 0.003 4.473 4.470 -0.000 0.000 0.272 18 S C 0.648 175.302 174.600 0.090 0.000 1.352 18 S CA -0.013 58.259 58.200 0.120 0.000 1.021 18 S CB 0.637 63.878 63.200 0.067 0.000 0.887 18 S HN 0.612 nan 8.310 nan 0.000 0.542 19 K N 1.179 121.609 120.400 0.050 0.000 2.444 19 K HA 0.069 4.389 4.320 -0.000 0.000 0.193 19 K C 0.913 177.528 176.600 0.026 0.000 1.024 19 K CA 0.051 56.359 56.287 0.035 0.000 1.077 19 K CB 0.002 32.510 32.500 0.013 0.000 0.833 19 K HN 0.551 nan 8.250 nan 0.000 0.517 20 T N 0.500 115.052 114.554 -0.004 0.000 2.766 20 T HA 0.008 4.358 4.350 -0.000 0.000 0.295 20 T C 0.321 175.018 174.700 -0.005 0.000 1.024 20 T CA -0.094 61.977 62.100 -0.048 0.000 1.018 20 T CB 0.590 69.367 68.868 -0.152 0.000 1.002 20 T HN 0.031 nan 8.240 nan 0.000 0.532 21 D N 1.155 121.555 120.400 -0.001 0.000 2.500 21 D HA 0.148 4.788 4.640 -0.000 0.000 0.217 21 D C -0.195 176.156 176.300 0.086 0.000 1.159 21 D CA -0.015 54.042 54.000 0.096 0.000 0.828 21 D CB 0.698 41.541 40.800 0.072 0.000 1.039 21 D HN 0.359 nan 8.370 nan 0.000 0.512 22 Q N 0.458 120.217 119.800 -0.068 0.000 2.340 22 Q HA 0.332 4.671 4.340 -0.000 0.000 0.259 22 Q C -1.486 174.370 176.000 -0.238 0.000 0.964 22 Q CA -0.148 55.612 55.803 -0.073 0.000 0.900 22 Q CB 0.818 29.506 28.738 -0.083 0.000 1.228 22 Q HN 0.005 nan 8.270 nan 0.000 0.449 23 Y N 0.770 121.070 120.300 0.000 0.000 2.485 23 Y HA 0.420 4.970 4.550 -0.000 0.000 0.345 23 Y C -0.352 175.540 175.900 -0.013 0.000 0.998 23 Y CA -0.917 57.180 58.100 -0.005 0.000 1.059 23 Y CB 2.125 40.580 38.460 -0.009 0.000 1.234 23 Y HN 0.503 nan 8.280 nan 0.000 0.461 24 E N 1.620 121.895 120.200 0.124 0.000 2.187 24 E HA 0.269 4.619 4.350 -0.000 0.000 0.268 24 E C -1.552 175.079 176.600 0.051 0.000 0.896 24 E CA -0.849 55.586 56.400 0.059 0.000 0.766 24 E CB 0.890 30.600 29.700 0.018 0.000 1.142 24 E HN 0.479 nan 8.360 nan 0.000 0.408 25 D N 2.359 122.777 120.400 0.030 0.000 2.389 25 D HA 0.142 4.782 4.640 -0.000 0.000 0.247 25 D C -0.829 175.470 176.300 -0.000 0.000 1.128 25 D CA 0.068 54.076 54.000 0.013 0.000 0.884 25 D CB 1.385 42.191 40.800 0.011 0.000 1.194 25 D HN 0.071 nan 8.370 nan 0.000 0.441 26 V N 3.518 123.427 119.914 -0.008 0.000 2.357 26 V HA 0.311 4.431 4.120 -0.000 0.000 0.284 26 V C 0.221 176.311 176.094 -0.006 0.000 1.018 26 V CA -0.736 61.555 62.300 -0.015 0.000 0.841 26 V CB 1.402 33.208 31.823 -0.029 0.000 0.991 26 V HN 0.384 nan 8.190 nan 0.000 0.437 27 V N 2.149 122.065 119.914 0.004 0.000 2.769 27 V HA 0.583 4.703 4.120 -0.000 0.000 0.312 27 V C -0.053 176.058 176.094 0.027 0.000 1.058 27 V CA -0.995 61.320 62.300 0.025 0.000 0.952 27 V CB 1.817 33.681 31.823 0.068 0.000 1.019 27 V HN 0.819 nan 8.190 nan 0.000 0.445 28 N N 3.539 122.248 118.700 0.015 0.000 2.420 28 N HA 0.309 5.049 4.740 -0.000 0.000 0.262 28 N C -1.817 173.699 175.510 0.011 0.000 1.144 28 N CA -1.347 51.701 53.050 -0.003 0.000 0.952 28 N CB 1.472 39.948 38.487 -0.018 0.000 1.081 28 N HN 0.540 nan 8.380 nan 0.000 0.480 29 P HA -0.134 nan 4.420 nan 0.000 0.219 29 P C 0.327 177.515 177.300 -0.188 0.000 1.146 29 P CA 0.889 64.030 63.100 0.069 0.000 0.808 29 P CB 0.236 31.938 31.700 0.003 0.000 0.779 30 A N -1.054 121.659 122.820 -0.177 0.000 2.081 30 A HA -0.003 4.317 4.320 -0.000 0.000 0.214 30 A C 1.942 179.493 177.584 -0.055 0.000 1.158 30 A CA 1.809 53.740 52.037 -0.176 0.000 0.724 30 A CB -1.126 17.901 19.000 0.044 0.000 0.826 30 A HN 0.325 nan 8.150 nan 0.000 0.463 31 T N -5.486 109.021 114.554 -0.078 0.000 2.975 31 T HA 0.236 4.586 4.350 -0.000 0.000 0.261 31 T C 0.680 175.319 174.700 -0.102 0.000 0.984 31 T CA 0.629 62.697 62.100 -0.054 0.000 0.911 31 T CB -0.067 68.792 68.868 -0.014 0.000 1.127 31 T HN 0.418 nan 8.240 nan 0.000 0.514 32 K N 0.623 120.940 120.400 -0.138 0.000 3.500 32 K HA -0.188 4.132 4.320 -0.000 0.000 0.313 32 K C 0.070 176.657 176.600 -0.021 0.000 1.338 32 K CA 1.064 57.290 56.287 -0.102 0.000 0.963 32 K CB -1.581 30.812 32.500 -0.179 0.000 1.267 32 K HN 0.758 nan 8.250 nan 0.000 0.448 33 E N 1.603 121.791 120.200 -0.019 0.000 2.338 33 E HA 0.187 4.537 4.350 -0.000 0.000 0.272 33 E C -0.429 176.172 176.600 0.002 0.000 1.029 33 E CA -0.388 56.007 56.400 -0.007 0.000 0.872 33 E CB 0.869 30.565 29.700 -0.007 0.000 1.015 33 E HN 0.062 nan 8.360 nan 0.000 0.417 34 V N 7.101 127.015 119.914 0.001 0.000 2.439 34 V HA -0.015 4.104 4.120 -0.000 0.000 0.271 34 V C 1.259 177.347 176.094 -0.009 0.000 1.040 34 V CA 0.184 62.483 62.300 -0.001 0.000 1.002 34 V CB 0.702 32.523 31.823 -0.004 0.000 1.000 34 V HN 0.787 nan 8.190 nan 0.000 0.477 35 L N 4.652 125.869 121.223 -0.011 0.000 2.162 35 L HA 0.138 4.478 4.340 -0.000 0.000 0.205 35 L C 0.979 177.831 176.870 -0.029 0.000 1.086 35 L CA 0.882 55.712 54.840 -0.016 0.000 0.778 35 L CB 0.023 42.073 42.059 -0.015 0.000 0.928 35 L HN 0.914 nan 8.230 nan 0.000 0.446 36 C N -3.639 115.641 119.300 -0.035 0.000 3.209 36 C HA 0.388 4.848 4.460 -0.000 0.000 0.353 36 C C -1.438 173.528 174.990 -0.041 0.000 1.436 36 C CA -1.148 57.840 59.018 -0.050 0.000 1.186 36 C CB 1.510 29.209 27.740 -0.070 0.000 1.550 36 C HN 0.203 nan 8.230 nan 0.000 0.435 37 Q N 0.396 120.169 119.800 -0.044 0.000 2.340 37 Q HA 0.679 5.019 4.340 -0.000 0.000 0.268 37 Q C -1.203 174.833 176.000 0.061 0.000 1.031 37 Q CA -0.510 55.302 55.803 0.016 0.000 0.804 37 Q CB 2.636 31.373 28.738 -0.001 0.000 1.286 37 Q HN 0.747 nan 8.270 nan 0.000 0.448 38 V N 4.496 124.451 119.914 0.069 0.000 2.435 38 V HA 0.526 4.646 4.120 -0.000 0.000 0.290 38 V C -2.352 173.782 176.094 0.066 0.000 1.030 38 V CA -2.398 59.889 62.300 -0.022 0.000 0.881 38 V CB 1.909 33.640 31.823 -0.153 0.000 0.983 38 V HN 0.639 nan 8.190 nan 0.000 0.445 39 P HA 0.253 nan 4.420 nan 0.000 0.278 39 P C -0.893 176.290 177.300 -0.194 0.000 1.238 39 P CA -0.274 62.568 63.100 -0.431 0.000 0.794 39 P CB 0.999 32.512 31.700 -0.312 0.000 0.955 40 I N 1.844 122.253 120.570 -0.268 0.000 2.313 40 I HA 0.152 4.322 4.170 -0.000 0.000 0.286 40 I C 0.875 176.932 176.117 -0.099 0.000 1.091 40 I CA -0.357 60.878 61.300 -0.108 0.000 1.216 40 I CB -0.764 37.174 38.000 -0.102 0.000 1.434 40 I HN 0.194 nan 8.210 nan 0.000 0.487 41 S N 4.031 119.715 115.700 -0.027 0.000 2.584 41 S HA 0.286 4.756 4.470 -0.000 0.000 0.270 41 S C 0.991 175.596 174.600 0.009 0.000 1.346 41 S CA -0.363 57.834 58.200 -0.004 0.000 1.018 41 S CB 0.879 64.106 63.200 0.046 0.000 0.899 41 S HN 0.761 nan 8.310 nan 0.000 0.542 42 T N -0.144 114.419 114.554 0.015 0.000 2.880 42 T HA 0.406 4.756 4.350 -0.000 0.000 0.279 42 T C 1.010 175.735 174.700 0.043 0.000 0.990 42 T CA -0.816 61.298 62.100 0.023 0.000 0.938 42 T CB 0.466 69.343 68.868 0.015 0.000 1.206 42 T HN 0.306 nan 8.240 nan 0.000 0.573 43 K N 0.529 120.956 120.400 0.045 0.000 2.097 43 K HA -0.036 4.284 4.320 -0.000 0.000 0.205 43 K C 2.205 178.847 176.600 0.069 0.000 1.050 43 K CA 1.368 57.691 56.287 0.059 0.000 0.938 43 K CB -0.450 32.081 32.500 0.051 0.000 0.718 43 K HN 0.734 nan 8.250 nan 0.000 0.442 44 E N 1.002 121.235 120.200 0.055 0.000 2.070 44 E HA -0.202 4.147 4.350 -0.000 0.000 0.197 44 E C 1.628 178.284 176.600 0.094 0.000 1.004 44 E CA 1.323 57.759 56.400 0.060 0.000 0.805 44 E CB -0.068 29.649 29.700 0.028 0.000 0.744 44 E HN 0.273 nan 8.360 nan 0.000 0.451 45 D N 0.647 121.098 120.400 0.085 0.000 2.104 45 D HA -0.159 4.481 4.640 -0.000 0.000 0.194 45 D C 1.959 178.316 176.300 0.096 0.000 0.994 45 D CA 0.890 54.959 54.000 0.115 0.000 0.830 45 D CB -0.121 40.728 40.800 0.081 0.000 0.959 45 D HN 0.119 nan 8.370 nan 0.000 0.452 46 I N 1.490 122.096 120.570 0.061 0.000 2.315 46 I HA -0.180 3.990 4.170 -0.000 0.000 0.248 46 I C 1.734 177.855 176.117 0.008 0.000 1.117 46 I CA 1.096 62.406 61.300 0.016 0.000 1.404 46 I CB -0.798 37.222 38.000 0.034 0.000 1.071 46 I HN -0.093 nan 8.210 nan 0.000 0.419 47 D N 0.001 120.463 120.400 0.103 0.000 2.104 47 D HA -0.267 4.373 4.640 -0.000 0.000 0.194 47 D C 2.092 178.457 176.300 0.109 0.000 0.994 47 D CA 1.339 55.437 54.000 0.165 0.000 0.830 47 D CB -0.532 40.381 40.800 0.188 0.000 0.959 47 D HN 0.425 nan 8.370 nan 0.000 0.452 48 Y N 1.159 121.446 120.300 -0.022 0.000 2.128 48 Y HA -0.260 4.290 4.550 -0.000 0.000 0.284 48 Y C 2.324 178.167 175.900 -0.094 0.000 1.154 48 Y CA 1.751 59.823 58.100 -0.047 0.000 1.149 48 Y CB -0.018 38.417 38.460 -0.043 0.000 0.976 48 Y HN -0.032 nan 8.280 nan 0.000 0.505 49 A N 0.711 123.377 122.820 -0.258 0.000 1.877 49 A HA -0.200 4.120 4.320 -0.000 0.000 0.216 49 A C 2.363 179.749 177.584 -0.330 0.000 1.186 49 A CA 1.876 53.684 52.037 -0.383 0.000 0.620 49 A CB -1.516 17.328 19.000 -0.260 0.000 0.822 49 A HN 0.650 nan 8.150 nan 0.000 0.443 50 A N -0.608 122.015 122.820 -0.328 0.000 1.908 50 A HA -0.250 4.070 4.320 -0.000 0.000 0.218 50 A C 2.130 179.534 177.584 -0.299 0.000 1.181 50 A CA 1.826 53.590 52.037 -0.455 0.000 0.627 50 A CB -0.635 17.713 19.000 -1.087 0.000 0.818 50 A HN 0.676 nan 8.150 nan 0.000 0.445 51 Q N -1.015 118.675 119.800 -0.183 0.000 2.079 51 Q HA -0.110 4.230 4.340 -0.000 0.000 0.200 51 Q C 2.212 178.154 176.000 -0.097 0.000 0.974 51 Q CA 1.877 57.642 55.803 -0.062 0.000 0.840 51 Q CB -0.428 28.336 28.738 0.043 0.000 0.898 51 Q HN 0.675 nan 8.270 nan 0.000 0.430 52 T N 1.048 115.478 114.554 -0.206 0.000 2.674 52 T HA -0.163 4.187 4.350 -0.000 0.000 0.265 52 T C 1.994 176.593 174.700 -0.169 0.000 1.039 52 T CA 1.283 63.239 62.100 -0.240 0.000 1.150 52 T CB -0.424 68.161 68.868 -0.472 0.000 0.864 52 T HN 0.408 nan 8.240 nan 0.000 0.427 53 A N 1.587 124.294 122.820 -0.188 0.000 1.908 53 A HA 0.050 4.370 4.320 -0.000 0.000 0.218 53 A C 2.639 180.214 177.584 -0.015 0.000 1.181 53 A CA 2.046 54.012 52.037 -0.117 0.000 0.627 53 A CB -1.164 17.743 19.000 -0.154 0.000 0.818 53 A HN 0.526 nan 8.150 nan 0.000 0.445 54 A N -0.763 122.036 122.820 -0.034 0.000 1.969 54 A HA -0.100 4.220 4.320 -0.000 0.000 0.218 54 A C 1.977 179.636 177.584 0.124 0.000 1.169 54 A CA 2.089 54.154 52.037 0.047 0.000 0.635 54 A CB -0.380 18.622 19.000 0.004 0.000 0.810 54 A HN 0.523 nan 8.150 nan 0.000 0.445 55 E N 0.224 120.456 120.200 0.053 0.000 2.072 55 E HA 0.037 4.387 4.350 -0.000 0.000 0.190 55 E C 1.996 178.633 176.600 0.062 0.000 0.982 55 E CA 1.397 57.827 56.400 0.050 0.000 0.803 55 E CB -0.458 29.248 29.700 0.010 0.000 0.755 55 E HN 0.432 nan 8.360 nan 0.000 0.453 56 A N -0.212 122.638 122.820 0.049 0.000 2.015 56 A HA -0.093 4.227 4.320 -0.000 0.000 0.219 56 A C 2.150 179.828 177.584 0.157 0.000 1.163 56 A CA 1.053 53.123 52.037 0.056 0.000 0.646 56 A CB -0.935 18.055 19.000 -0.016 0.000 0.806 56 A HN 0.472 nan 8.150 nan 0.000 0.448 57 F N 0.877 120.863 119.950 0.061 0.000 2.216 57 F HA -0.164 4.363 4.527 0.000 0.000 0.300 57 F C 2.015 177.881 175.800 0.111 0.000 1.085 57 F CA 1.868 59.940 58.000 0.121 0.000 1.326 57 F CB -0.027 39.018 39.000 0.075 0.000 1.027 57 F HN 0.125 nan 8.300 nan 0.000 0.497 58 K N -0.485 119.880 120.400 -0.059 0.000 2.209 58 K HA -0.133 4.187 4.320 -0.000 0.000 0.204 58 K C 1.842 178.352 176.600 -0.151 0.000 1.048 58 K CA 1.799 57.998 56.287 -0.147 0.000 0.940 58 K CB -0.326 32.163 32.500 -0.019 0.000 0.729 58 K HN 0.473 nan 8.250 nan 0.000 0.451 59 T N -3.005 111.510 114.554 -0.064 0.000 3.018 59 T HA -0.051 4.299 4.350 -0.000 0.000 0.246 59 T C 1.532 176.236 174.700 0.007 0.000 1.026 59 T CA -0.468 61.615 62.100 -0.028 0.000 1.081 59 T CB -0.405 68.478 68.868 0.025 0.000 0.970 59 T HN 0.408 nan 8.240 nan 0.000 0.475 60 W N 3.177 124.393 121.300 -0.140 0.000 2.358 60 W HA -0.187 4.473 4.660 -0.000 0.000 0.303 60 W C 2.189 178.628 176.519 -0.135 0.000 1.208 60 W CA 1.625 58.909 57.345 -0.101 0.000 1.274 60 W CB -0.170 29.269 29.460 -0.035 0.000 1.138 60 W HN 0.490 nan 8.180 nan 0.000 0.515 61 S N 0.289 115.785 115.700 -0.339 0.000 2.474 61 S HA -0.104 4.366 4.470 -0.000 0.000 0.235 61 S C 1.378 175.772 174.600 -0.343 0.000 0.997 61 S CA 0.748 58.685 58.200 -0.439 0.000 0.949 61 S CB -0.311 62.456 63.200 -0.720 0.000 0.766 61 S HN 0.060 nan 8.310 nan 0.000 0.517 62 K N 1.317 121.544 120.400 -0.288 0.000 2.444 62 K HA 0.316 4.636 4.320 -0.000 0.000 0.193 62 K C -0.164 176.308 176.600 -0.213 0.000 1.024 62 K CA 0.004 56.170 56.287 -0.202 0.000 1.077 62 K CB 0.083 32.497 32.500 -0.143 0.000 0.833 62 K HN 0.319 nan 8.250 nan 0.000 0.517 63 V N 2.533 122.251 119.914 -0.327 0.000 2.368 63 V HA 0.218 4.338 4.120 -0.000 0.000 0.266 63 V C 0.483 176.364 176.094 -0.354 0.000 1.045 63 V CA -1.150 60.947 62.300 -0.339 0.000 0.899 63 V CB 0.418 31.943 31.823 -0.496 0.000 1.006 63 V HN 0.198 nan 8.190 nan 0.000 0.470 64 A N 4.518 127.207 122.820 -0.219 0.000 2.609 64 A HA 0.112 4.432 4.320 -0.000 0.000 0.232 64 A C 1.572 179.044 177.584 -0.187 0.000 1.041 64 A CA 0.799 52.731 52.037 -0.175 0.000 0.753 64 A CB 0.266 19.199 19.000 -0.112 0.000 0.966 64 A HN 1.062 nan 8.150 nan 0.000 0.510 65 V N 3.856 123.677 119.914 -0.155 0.000 2.380 65 V HA -0.152 3.968 4.120 -0.000 0.000 0.251 65 V C -0.457 175.603 176.094 -0.057 0.000 1.063 65 V CA 2.661 64.892 62.300 -0.115 0.000 1.055 65 V CB -1.091 30.686 31.823 -0.077 0.000 0.657 65 V HN 0.866 nan 8.190 nan 0.000 0.455 66 P HA -0.112 nan 4.420 nan 0.000 0.218 66 P C 1.742 179.042 177.300 0.001 0.000 1.149 66 P CA 1.444 64.537 63.100 -0.012 0.000 0.817 66 P CB -0.113 31.572 31.700 -0.025 0.000 0.785 67 R N -0.558 119.924 120.500 -0.030 0.000 2.075 67 R HA 0.049 4.389 4.340 -0.000 0.000 0.226 67 R C 2.384 178.707 176.300 0.039 0.000 1.114 67 R CA 0.980 57.076 56.100 -0.006 0.000 0.972 67 R CB -0.316 29.959 30.300 -0.040 0.000 0.869 67 R HN 0.192 nan 8.270 nan 0.000 0.437 68 R N 0.385 120.861 120.500 -0.040 0.000 2.105 68 R HA -0.082 4.258 4.340 -0.000 0.000 0.239 68 R C 2.218 178.648 176.300 0.216 0.000 1.135 68 R CA 1.404 57.536 56.100 0.053 0.000 0.967 68 R CB -0.351 29.843 30.300 -0.176 0.000 0.861 68 R HN 0.172 nan 8.270 nan 0.000 0.442 69 A N 1.175 124.095 122.820 0.168 0.000 1.969 69 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 69 A C 2.143 179.968 177.584 0.402 0.000 1.169 69 A CA 1.148 53.338 52.037 0.255 0.000 0.635 69 A CB -0.373 18.764 19.000 0.228 0.000 0.810 69 A HN 0.182 nan 8.150 nan 0.000 0.445 70 R N -0.013 120.658 120.500 0.286 0.000 2.083 70 R HA -0.106 4.234 4.340 -0.000 0.000 0.237 70 R C 1.810 178.315 176.300 0.342 0.000 1.137 70 R CA 1.958 58.214 56.100 0.259 0.000 0.951 70 R CB -0.471 29.904 30.300 0.126 0.000 0.851 70 R HN 0.577 nan 8.270 nan 0.000 0.434 71 I N 0.257 121.022 120.570 0.324 0.000 2.286 71 I HA -0.265 3.905 4.170 -0.000 0.000 0.248 71 I C 1.805 178.183 176.117 0.435 0.000 1.115 71 I CA 0.695 62.211 61.300 0.360 0.000 1.392 71 I CB -0.230 37.982 38.000 0.353 0.000 1.065 71 I HN 0.247 nan 8.210 nan 0.000 0.418 72 L N -0.327 121.137 121.223 0.401 0.000 2.201 72 L HA -0.179 4.161 4.340 -0.000 0.000 0.212 72 L C 2.432 179.400 176.870 0.162 0.000 1.105 72 L CA 1.952 56.962 54.840 0.283 0.000 0.775 72 L CB -0.912 41.238 42.059 0.151 0.000 0.913 72 L HN 0.205 nan 8.230 nan 0.000 0.440 73 F N 0.529 120.576 119.950 0.161 0.000 2.163 73 F HA -0.126 4.401 4.527 -0.000 0.000 0.297 73 F C 2.320 178.197 175.800 0.127 0.000 1.094 73 F CA 1.268 59.336 58.000 0.113 0.000 1.290 73 F CB -0.483 38.570 39.000 0.088 0.000 1.017 73 F HN 0.239 nan 8.300 nan 0.000 0.483 74 N N -0.305 118.608 118.700 0.356 0.000 2.058 74 N HA -0.243 4.496 4.740 -0.000 0.000 0.191 74 N C 1.957 177.638 175.510 0.284 0.000 1.037 74 N CA 1.326 54.548 53.050 0.286 0.000 0.848 74 N CB -0.540 38.120 38.487 0.288 0.000 1.021 74 N HN 0.179 nan 8.380 nan 0.000 0.422 75 F N 2.198 122.220 119.950 0.121 0.000 2.120 75 F HA -0.303 4.224 4.527 -0.000 0.000 0.300 75 F C 2.919 178.692 175.800 -0.046 0.000 1.095 75 F CA 1.185 59.186 58.000 0.001 0.000 1.249 75 F CB 0.007 38.859 39.000 -0.247 0.000 0.995 75 F HN 0.108 nan 8.300 nan 0.000 0.480 76 Q N 0.489 120.232 119.800 -0.096 0.000 2.061 76 Q HA -0.285 4.055 4.340 -0.000 0.000 0.204 76 Q C 2.091 178.017 176.000 -0.123 0.000 0.984 76 Q CA 2.051 57.730 55.803 -0.207 0.000 0.846 76 Q CB -0.363 28.278 28.738 -0.161 0.000 0.902 76 Q HN 0.467 nan 8.270 nan 0.000 0.421 77 Q N -0.200 119.598 119.800 -0.003 0.000 2.046 77 Q HA -0.080 4.260 4.340 -0.000 0.000 0.200 77 Q C 2.078 178.091 176.000 0.020 0.000 0.975 77 Q CA 0.960 56.778 55.803 0.026 0.000 0.836 77 Q CB -0.348 28.440 28.738 0.082 0.000 0.896 77 Q HN 0.264 nan 8.270 nan 0.000 0.428 78 L N -0.232 121.032 121.223 0.068 0.000 2.013 78 L HA -0.201 4.139 4.340 -0.000 0.000 0.212 78 L C 1.988 178.944 176.870 0.142 0.000 1.073 78 L CA 1.495 56.427 54.840 0.152 0.000 0.753 78 L CB -1.210 40.990 42.059 0.236 0.000 0.890 78 L HN 0.295 nan 8.230 nan 0.000 0.432 79 L N -1.127 120.045 121.223 -0.085 0.000 2.079 79 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 79 L C 2.595 179.438 176.870 -0.045 0.000 1.081 79 L CA 1.499 56.252 54.840 -0.145 0.000 0.752 79 L CB -1.208 40.593 42.059 -0.430 0.000 0.896 79 L HN 0.213 nan 8.230 nan 0.000 0.433 80 S N -1.083 114.580 115.700 -0.060 0.000 2.402 80 S HA -0.157 4.313 4.470 -0.000 0.000 0.229 80 S C 1.576 176.151 174.600 -0.042 0.000 1.021 80 S CA 0.755 58.930 58.200 -0.042 0.000 0.974 80 S CB -0.163 63.014 63.200 -0.039 0.000 0.800 80 S HN 0.555 nan 8.310 nan 0.000 0.484 81 Q N -0.016 119.738 119.800 -0.076 0.000 2.373 81 Q HA 0.098 4.438 4.340 -0.000 0.000 0.206 81 Q C 0.030 175.797 176.000 -0.389 0.000 0.942 81 Q CA 0.448 56.130 55.803 -0.202 0.000 0.953 81 Q CB 0.150 28.748 28.738 -0.233 0.000 1.022 81 Q HN 0.568 nan 8.270 nan 0.000 0.502 82 H N -1.516 117.552 119.070 -0.004 0.000 3.007 82 H HA 0.188 4.744 4.556 -0.000 0.000 0.251 82 H C 0.698 176.030 175.328 0.006 0.000 1.188 82 H CA -0.181 55.871 56.048 0.007 0.000 1.017 82 H CB 0.708 30.479 29.762 0.015 0.000 1.805 82 H HN 0.121 nan 8.280 nan 0.000 0.659 83 K N 0.839 121.283 120.400 0.074 0.000 2.089 83 K HA -0.174 4.146 4.320 -0.000 0.000 0.210 83 K C 1.605 178.246 176.600 0.067 0.000 1.048 83 K CA 1.384 57.703 56.287 0.052 0.000 0.926 83 K CB 0.392 32.905 32.500 0.023 0.000 0.714 83 K HN 0.182 nan 8.250 nan 0.000 0.448 84 E N 0.848 121.087 120.200 0.064 0.000 2.017 84 E HA -0.222 4.128 4.350 -0.000 0.000 0.193 84 E C 1.989 178.652 176.600 0.105 0.000 0.997 84 E CA 1.121 57.563 56.400 0.071 0.000 0.804 84 E CB -0.295 29.432 29.700 0.044 0.000 0.757 84 E HN 0.380 nan 8.360 nan 0.000 0.448 85 E N 0.584 120.851 120.200 0.112 0.000 2.097 85 E HA -0.191 4.159 4.350 -0.000 0.000 0.196 85 E C 2.337 179.020 176.600 0.138 0.000 1.000 85 E CA 0.895 57.367 56.400 0.120 0.000 0.804 85 E CB -0.083 29.698 29.700 0.134 0.000 0.740 85 E HN 0.142 nan 8.360 nan 0.000 0.454 86 L N 0.179 121.473 121.223 0.118 0.000 2.017 86 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 86 L C 2.713 179.637 176.870 0.090 0.000 1.073 86 L CA 1.149 56.045 54.840 0.093 0.000 0.745 86 L CB -0.511 41.592 42.059 0.074 0.000 0.894 86 L HN 0.192 nan 8.230 nan 0.000 0.432 87 A N -0.596 122.278 122.820 0.089 0.000 1.908 87 A HA -0.315 4.005 4.320 -0.000 0.000 0.218 87 A C 2.106 179.736 177.584 0.076 0.000 1.181 87 A CA 2.067 54.147 52.037 0.071 0.000 0.627 87 A CB -0.928 18.111 19.000 0.065 0.000 0.818 87 A HN 0.543 nan 8.150 nan 0.000 0.445 88 H N -0.919 118.167 119.070 0.028 0.000 2.319 88 H HA -0.122 4.434 4.556 -0.000 0.000 0.299 88 H C 1.773 177.115 175.328 0.023 0.000 1.092 88 H CA 1.944 58.007 56.048 0.024 0.000 1.302 88 H CB -0.193 29.585 29.762 0.026 0.000 1.373 88 H HN 0.286 nan 8.280 nan 0.000 0.497 89 L N 0.369 121.644 121.223 0.085 0.000 2.046 89 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 89 L C 2.374 179.234 176.870 -0.016 0.000 1.077 89 L CA 1.421 56.281 54.840 0.033 0.000 0.747 89 L CB -0.810 41.297 42.059 0.080 0.000 0.896 89 L HN 0.464 nan 8.230 nan 0.000 0.432 90 I N -1.526 119.045 120.570 0.001 0.000 2.179 90 I HA -0.330 3.840 4.170 -0.000 0.000 0.242 90 I C 2.227 178.320 176.117 -0.040 0.000 1.088 90 I CA 1.625 62.923 61.300 -0.004 0.000 1.357 90 I CB -0.718 37.288 38.000 0.009 0.000 1.051 90 I HN 0.229 nan 8.210 nan 0.000 0.409 91 T N 1.981 116.491 114.554 -0.074 0.000 2.684 91 T HA -0.174 4.176 4.350 -0.000 0.000 0.267 91 T C 1.878 176.509 174.700 -0.115 0.000 1.036 91 T CA 1.964 64.008 62.100 -0.095 0.000 1.148 91 T CB -0.413 68.388 68.868 -0.112 0.000 0.863 91 T HN 0.520 nan 8.240 nan 0.000 0.436 92 I N -0.544 119.913 120.570 -0.189 0.000 2.676 92 I HA 0.091 4.261 4.170 -0.000 0.000 0.259 92 I C 2.280 178.353 176.117 -0.073 0.000 1.194 92 I CA 1.491 62.701 61.300 -0.150 0.000 1.473 92 I CB -0.274 37.600 38.000 -0.209 0.000 1.096 92 I HN 0.193 nan 8.210 nan 0.000 0.443 93 E N 1.388 121.557 120.200 -0.053 0.000 2.166 93 E HA -0.149 4.201 4.350 -0.000 0.000 0.192 93 E C 2.001 178.606 176.600 0.008 0.000 0.967 93 E CA 0.576 56.968 56.400 -0.013 0.000 0.840 93 E CB 0.096 29.800 29.700 0.006 0.000 0.795 93 E HN 0.558 nan 8.360 nan 0.000 0.470 94 N N -1.078 117.629 118.700 0.011 0.000 2.454 94 N HA -0.006 4.734 4.740 -0.000 0.000 0.177 94 N C 1.235 176.755 175.510 0.016 0.000 1.049 94 N CA 1.386 54.466 53.050 0.050 0.000 0.887 94 N CB 1.326 39.842 38.487 0.049 0.000 1.095 94 N HN 0.271 nan 8.380 nan 0.000 0.446 95 G N 1.428 110.216 108.800 -0.021 0.000 2.339 95 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.209 95 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.209 95 G C -0.173 174.709 174.900 -0.029 0.000 1.015 95 G CA 0.230 45.312 45.100 -0.031 0.000 0.635 95 G HN 0.633 nan 8.290 nan 0.000 0.499 96 K N 2.123 122.493 120.400 -0.049 0.000 2.485 96 K HA 0.275 4.595 4.320 -0.000 0.000 0.277 96 K C 0.829 177.396 176.600 -0.055 0.000 0.990 96 K CA 0.187 56.432 56.287 -0.070 0.000 0.994 96 K CB 0.387 32.824 32.500 -0.105 0.000 0.906 96 K HN 0.539 nan 8.250 nan 0.000 0.488 97 N N 1.871 120.535 118.700 -0.061 0.000 2.267 97 N HA -0.140 4.600 4.740 -0.000 0.000 0.226 97 N C 0.891 176.383 175.510 -0.028 0.000 1.314 97 N CA 0.615 53.642 53.050 -0.037 0.000 0.887 97 N CB 0.241 38.699 38.487 -0.048 0.000 1.120 97 N HN 0.862 nan 8.380 nan 0.000 0.440 98 T N -2.685 111.867 114.554 -0.004 0.000 2.962 98 T HA -0.157 4.193 4.350 -0.000 0.000 0.270 98 T C 1.560 176.266 174.700 0.010 0.000 1.088 98 T CA 1.218 63.325 62.100 0.012 0.000 1.127 98 T CB -0.098 68.793 68.868 0.038 0.000 0.883 98 T HN 0.664 nan 8.240 nan 0.000 0.493 99 K N 0.843 121.243 120.400 -0.000 0.000 2.025 99 K HA -0.073 4.247 4.320 -0.000 0.000 0.207 99 K C 2.340 178.937 176.600 -0.005 0.000 1.049 99 K CA 1.434 57.722 56.287 0.003 0.000 0.933 99 K CB -0.105 32.396 32.500 0.001 0.000 0.714 99 K HN 0.482 nan 8.250 nan 0.000 0.438 100 E N -0.144 120.037 120.200 -0.032 0.000 2.208 100 E HA -0.119 4.231 4.350 -0.000 0.000 0.193 100 E C 1.844 178.442 176.600 -0.003 0.000 0.988 100 E CA 0.679 57.061 56.400 -0.030 0.000 0.828 100 E CB 0.065 29.715 29.700 -0.083 0.000 0.763 100 E HN 0.417 nan 8.360 nan 0.000 0.478 101 A N 1.156 123.972 122.820 -0.006 0.000 1.873 101 A HA -0.141 4.178 4.320 -0.000 0.000 0.215 101 A C 2.053 179.654 177.584 0.029 0.000 1.186 101 A CA 0.813 52.856 52.037 0.010 0.000 0.616 101 A CB -0.354 18.649 19.000 0.005 0.000 0.823 101 A HN 0.122 nan 8.150 nan 0.000 0.442 102 L N 0.110 121.349 121.223 0.027 0.000 2.127 102 L HA -0.106 4.234 4.340 -0.000 0.000 0.211 102 L C 2.587 179.476 176.870 0.030 0.000 1.089 102 L CA 1.795 56.652 54.840 0.030 0.000 0.757 102 L CB -1.561 40.514 42.059 0.028 0.000 0.899 102 L HN 0.420 nan 8.230 nan 0.000 0.434 103 G N -1.551 107.270 108.800 0.035 0.000 2.408 103 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.217 103 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.217 103 G C 1.555 176.490 174.900 0.057 0.000 1.150 103 G CA 0.606 45.732 45.100 0.043 0.000 0.776 103 G HN 0.465 nan 8.290 nan 0.000 0.542 104 E N 0.093 120.340 120.200 0.079 0.000 2.106 104 E HA -0.095 4.255 4.350 -0.000 0.000 0.192 104 E C 2.640 179.269 176.600 0.048 0.000 0.984 104 E CA 0.912 57.376 56.400 0.107 0.000 0.806 104 E CB -0.039 29.759 29.700 0.164 0.000 0.750 104 E HN 0.247 nan 8.360 nan 0.000 0.458 105 V N 0.766 120.700 119.914 0.034 0.000 2.287 105 V HA -0.246 3.874 4.120 -0.000 0.000 0.248 105 V C 2.422 178.508 176.094 -0.012 0.000 1.053 105 V CA 2.007 64.313 62.300 0.009 0.000 1.027 105 V CB -1.045 30.788 31.823 0.016 0.000 0.646 105 V HN 0.497 nan 8.190 nan 0.000 0.447 106 G N -0.353 108.447 108.800 -0.001 0.000 2.421 106 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.216 106 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.216 106 G C 1.720 176.609 174.900 -0.018 0.000 1.171 106 G CA 0.518 45.613 45.100 -0.009 0.000 0.775 106 G HN 0.311 nan 8.290 nan 0.000 0.543 107 R N 0.512 121.009 120.500 -0.006 0.000 2.083 107 R HA -0.094 4.246 4.340 -0.000 0.000 0.237 107 R C 2.881 179.170 176.300 -0.018 0.000 1.137 107 R CA 1.452 57.546 56.100 -0.011 0.000 0.951 107 R CB -1.286 29.015 30.300 0.001 0.000 0.851 107 R HN 0.373 nan 8.270 nan 0.000 0.434 108 G N 1.070 109.849 108.800 -0.035 0.000 2.422 108 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.218 108 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.218 108 G C 1.601 176.441 174.900 -0.100 0.000 1.146 108 G CA 0.504 45.565 45.100 -0.065 0.000 0.769 108 G HN 0.243 nan 8.290 nan 0.000 0.547 109 I N 0.402 120.910 120.570 -0.104 0.000 2.394 109 I HA -0.124 4.046 4.170 -0.000 0.000 0.251 109 I C 2.698 178.757 176.117 -0.096 0.000 1.136 109 I CA 0.996 62.213 61.300 -0.139 0.000 1.425 109 I CB -0.210 37.721 38.000 -0.115 0.000 1.079 109 I HN 0.274 nan 8.210 nan 0.000 0.425 110 E N 0.795 120.963 120.200 -0.053 0.000 2.077 110 E HA -0.197 4.153 4.350 -0.000 0.000 0.193 110 E C 1.898 178.504 176.600 0.010 0.000 0.989 110 E CA 0.955 57.342 56.400 -0.022 0.000 0.800 110 E CB -0.111 29.563 29.700 -0.042 0.000 0.746 110 E HN 0.482 nan 8.360 nan 0.000 0.452 111 N N 0.551 119.251 118.700 0.001 0.000 2.094 111 N HA -0.153 4.587 4.740 -0.000 0.000 0.191 111 N C 1.978 177.500 175.510 0.021 0.000 1.023 111 N CA 1.260 54.341 53.050 0.052 0.000 0.857 111 N CB -0.200 38.315 38.487 0.047 0.000 1.013 111 N HN 0.046 nan 8.380 nan 0.000 0.426 112 V N 1.621 121.486 119.914 -0.083 0.000 2.515 112 V HA -0.146 3.974 4.120 -0.000 0.000 0.250 112 V C 2.074 178.091 176.094 -0.129 0.000 1.058 112 V CA 1.366 63.589 62.300 -0.129 0.000 1.064 112 V CB -0.483 31.214 31.823 -0.210 0.000 0.675 112 V HN 0.277 nan 8.190 nan 0.000 0.461 113 E N -0.284 119.861 120.200 -0.092 0.000 2.051 113 E HA -0.216 4.134 4.350 -0.000 0.000 0.192 113 E C 2.026 178.623 176.600 -0.004 0.000 0.991 113 E CA 1.584 57.924 56.400 -0.100 0.000 0.799 113 E CB -0.227 29.460 29.700 -0.023 0.000 0.748 113 E HN 0.671 nan 8.360 nan 0.000 0.449 114 F N 1.214 121.128 119.950 -0.059 0.000 2.102 114 F HA -0.186 4.341 4.527 0.000 0.000 0.298 114 F C 2.275 178.062 175.800 -0.021 0.000 1.105 114 F CA 1.146 59.141 58.000 -0.007 0.000 1.239 114 F CB -0.006 39.005 39.000 0.017 0.000 0.991 114 F HN -0.021 nan 8.300 nan 0.000 0.474 115 A N 0.528 123.228 122.820 -0.200 0.000 1.972 115 A HA -0.117 4.203 4.320 -0.000 0.000 0.219 115 A C 2.226 179.695 177.584 -0.192 0.000 1.169 115 A CA 1.412 53.293 52.037 -0.261 0.000 0.635 115 A CB -1.429 17.505 19.000 -0.110 0.000 0.810 115 A HN 0.508 nan 8.150 nan 0.000 0.446 116 A N -0.642 122.064 122.820 -0.189 0.000 2.178 116 A HA 0.191 4.511 4.320 -0.000 0.000 0.218 116 A C 1.869 179.427 177.584 -0.042 0.000 1.157 116 A CA 1.358 53.281 52.037 -0.190 0.000 0.689 116 A CB -0.818 17.777 19.000 -0.675 0.000 0.787 116 A HN 0.794 nan 8.150 nan 0.000 0.465 117 G N -1.434 107.304 108.800 -0.103 0.000 3.448 117 G HA2 0.362 4.322 3.960 -0.000 0.000 0.261 117 G HA3 0.362 4.322 3.960 -0.000 0.000 0.261 117 G C 1.169 176.020 174.900 -0.082 0.000 1.173 117 G CA 0.724 45.800 45.100 -0.040 0.000 0.835 117 G HN 0.573 nan 8.290 nan 0.000 0.534 118 A N 1.958 124.730 122.820 -0.080 0.000 1.927 118 A HA -0.043 4.277 4.320 -0.000 0.000 0.220 118 A C 0.622 178.186 177.584 -0.034 0.000 1.185 118 A CA 1.770 53.767 52.037 -0.067 0.000 0.639 118 A CB -1.002 17.986 19.000 -0.020 0.000 0.820 118 A HN 0.376 nan 8.150 nan 0.000 0.451 119 P HA -0.159 nan 4.420 nan 0.000 0.214 119 P C 1.799 179.090 177.300 -0.014 0.000 1.169 119 P CA 2.118 65.213 63.100 -0.008 0.000 0.908 119 P CB -0.178 31.528 31.700 0.010 0.000 0.791 120 S N -1.054 114.640 115.700 -0.010 0.000 2.383 120 S HA -0.058 4.411 4.470 -0.000 0.000 0.227 120 S C 1.861 176.451 174.600 -0.016 0.000 1.026 120 S CA 0.955 59.148 58.200 -0.011 0.000 0.981 120 S CB -1.101 62.097 63.200 -0.002 0.000 0.818 120 S HN 0.080 nan 8.310 nan 0.000 0.472 121 L N 0.835 122.039 121.223 -0.032 0.000 2.131 121 L HA -0.064 4.276 4.340 -0.000 0.000 0.210 121 L C 2.311 179.174 176.870 -0.011 0.000 1.092 121 L CA 1.050 55.872 54.840 -0.030 0.000 0.759 121 L CB -0.490 41.509 42.059 -0.100 0.000 0.903 121 L HN 0.359 nan 8.230 nan 0.000 0.435 122 M N -1.306 118.284 119.600 -0.017 0.000 2.492 122 M HA -0.009 4.471 4.480 -0.000 0.000 0.262 122 M C 0.695 176.984 176.300 -0.018 0.000 1.090 122 M CA 0.423 55.717 55.300 -0.010 0.000 1.110 122 M CB -0.031 32.555 32.600 -0.023 0.000 1.407 122 M HN 0.177 nan 8.290 nan 0.000 0.470 123 M N 1.009 120.595 119.600 -0.023 0.000 2.261 123 M HA 0.011 4.491 4.480 -0.000 0.000 0.350 123 M C 0.821 177.090 176.300 -0.053 0.000 1.343 123 M CA 0.098 55.376 55.300 -0.037 0.000 1.003 123 M CB -0.114 32.467 32.600 -0.033 0.000 1.848 123 M HN 0.144 nan 8.290 nan 0.000 0.456 124 G N 2.383 111.121 108.800 -0.103 0.000 2.568 124 G HA2 0.391 4.351 3.960 -0.000 0.000 0.293 124 G HA3 0.391 4.351 3.960 -0.000 0.000 0.293 124 G C -0.945 173.865 174.900 -0.150 0.000 1.347 124 G CA -0.691 44.327 45.100 -0.136 0.000 1.039 124 G HN 0.630 nan 8.290 nan 0.000 0.523 125 D N -0.011 120.299 120.400 -0.150 0.000 2.175 125 D HA 0.509 5.149 4.640 -0.000 0.000 0.248 125 D C -0.101 176.108 176.300 -0.153 0.000 1.047 125 D CA 0.081 54.011 54.000 -0.117 0.000 0.883 125 D CB 1.691 42.449 40.800 -0.070 0.000 1.180 125 D HN 0.409 nan 8.370 nan 0.000 0.438 126 S N 1.351 116.986 115.700 -0.108 0.000 2.571 126 S HA 0.634 5.104 4.470 -0.000 0.000 0.284 126 S C -1.154 173.422 174.600 -0.040 0.000 1.128 126 S CA -0.894 57.253 58.200 -0.089 0.000 0.970 126 S CB 1.525 64.669 63.200 -0.094 0.000 1.039 126 S HN 0.164 nan 8.310 nan 0.000 0.485 127 L N 2.449 123.660 121.223 -0.020 0.000 2.385 127 L HA 0.789 5.129 4.340 -0.000 0.000 0.273 127 L C 1.068 177.947 176.870 0.014 0.000 0.990 127 L CA -0.478 54.360 54.840 -0.004 0.000 0.821 127 L CB 1.562 43.618 42.059 -0.004 0.000 1.279 127 L HN 0.994 nan 8.230 nan 0.000 0.412 128 A N 2.188 125.019 122.820 0.018 0.000 1.898 128 A HA 0.121 4.441 4.320 -0.000 0.000 0.216 128 A C 0.591 178.198 177.584 0.037 0.000 1.181 128 A CA 1.050 53.106 52.037 0.032 0.000 0.620 128 A CB -0.061 18.956 19.000 0.027 0.000 0.819 128 A HN 0.603 nan 8.150 nan 0.000 0.442 129 S N -1.394 114.320 115.700 0.025 0.000 2.677 129 S HA 0.473 4.943 4.470 -0.000 0.000 0.283 129 S C 0.270 174.877 174.600 0.012 0.000 1.159 129 S CA -0.259 57.954 58.200 0.022 0.000 1.001 129 S CB 1.461 64.674 63.200 0.023 0.000 1.032 129 S HN 0.506 nan 8.310 nan 0.000 0.487 130 I N -0.510 120.064 120.570 0.007 0.000 4.057 130 I HA 0.781 4.951 4.170 -0.000 0.000 0.334 130 I C 0.420 176.537 176.117 -0.000 0.000 1.308 130 I CA -0.290 61.011 61.300 0.002 0.000 1.125 130 I CB 0.291 38.291 38.000 -0.001 0.000 1.034 130 I HN 0.530 nan 8.210 nan 0.000 0.401 131 A N 0.803 123.624 122.820 0.000 0.000 2.586 131 A HA 0.538 4.858 4.320 -0.000 0.000 0.290 131 A C -0.205 177.381 177.584 0.003 0.000 1.086 131 A CA -0.072 51.964 52.037 -0.001 0.000 0.665 131 A CB 0.510 19.505 19.000 -0.008 0.000 1.279 131 A HN 0.180 nan 8.150 nan 0.000 0.423 132 T N 0.154 114.710 114.554 0.004 0.000 2.829 132 T HA 0.381 4.731 4.350 -0.000 0.000 0.293 132 T C 0.086 174.792 174.700 0.011 0.000 0.970 132 T CA 1.455 63.562 62.100 0.011 0.000 1.168 132 T CB -0.421 68.454 68.868 0.011 0.000 0.911 132 T HN 0.864 nan 8.240 nan 0.000 0.535 133 D N 1.501 121.916 120.400 0.025 0.000 3.041 133 D HA -0.128 4.512 4.640 -0.000 0.000 0.220 133 D C -0.610 175.698 176.300 0.012 0.000 1.157 133 D CA 0.835 54.856 54.000 0.037 0.000 0.876 133 D CB -1.479 39.342 40.800 0.034 0.000 1.107 133 D HN 0.523 nan 8.370 nan 0.000 0.422 134 V N 0.767 120.682 119.914 0.001 0.000 2.577 134 V HA 0.427 4.547 4.120 -0.000 0.000 0.303 134 V C 0.314 176.407 176.094 -0.002 0.000 1.042 134 V CA -0.798 61.483 62.300 -0.033 0.000 0.872 134 V CB 2.288 34.085 31.823 -0.044 0.000 0.998 134 V HN 0.143 nan 8.190 nan 0.000 0.423 135 E N 4.116 124.318 120.200 0.003 0.000 2.320 135 E HA 0.941 5.291 4.350 -0.000 0.000 0.264 135 E C -0.843 175.774 176.600 0.028 0.000 0.923 135 E CA -1.138 55.286 56.400 0.040 0.000 0.796 135 E CB 2.955 32.715 29.700 0.101 0.000 1.262 135 E HN 0.776 nan 8.360 nan 0.000 0.428 136 A N 0.479 123.319 122.820 0.033 0.000 2.574 136 A HA 0.811 5.131 4.320 -0.000 0.000 0.297 136 A C -1.573 176.019 177.584 0.013 0.000 1.062 136 A CA -0.164 51.892 52.037 0.031 0.000 0.686 136 A CB 1.905 20.913 19.000 0.013 0.000 1.285 136 A HN 1.011 nan 8.150 nan 0.000 0.403 137 A N 1.747 124.573 122.820 0.011 0.000 2.594 137 A HA 0.734 5.054 4.320 -0.000 0.000 0.296 137 A C -1.195 176.298 177.584 -0.151 0.000 1.061 137 A CA -0.481 51.487 52.037 -0.116 0.000 0.689 137 A CB 1.143 20.027 19.000 -0.193 0.000 1.280 137 A HN 1.743 nan 8.150 nan 0.000 0.406 138 N N -0.159 118.393 118.700 -0.247 0.000 2.432 138 N HA 0.795 5.535 4.740 -0.000 0.000 0.292 138 N C -1.336 173.964 175.510 -0.351 0.000 1.193 138 N CA -0.414 52.569 53.050 -0.112 0.000 0.878 138 N CB 0.689 39.176 38.487 0.001 0.000 1.252 138 N HN 0.483 nan 8.380 nan 0.000 0.520 139 Y N -1.415 118.943 120.300 0.096 0.000 2.553 139 Y HA 0.509 5.059 4.550 0.000 0.000 0.347 139 Y C 0.196 176.124 175.900 0.046 0.000 1.019 139 Y CA -0.955 57.159 58.100 0.023 0.000 1.032 139 Y CB 1.906 40.346 38.460 -0.033 0.000 1.284 139 Y HN 0.224 nan 8.280 nan 0.000 0.466 140 R N 1.361 121.899 120.500 0.063 0.000 2.368 140 R HA 0.581 4.921 4.340 -0.000 0.000 0.302 140 R C -1.708 174.541 176.300 -0.085 0.000 1.002 140 R CA -0.811 55.334 56.100 0.075 0.000 0.929 140 R CB 1.116 31.446 30.300 0.050 0.000 1.073 140 R HN 0.638 nan 8.270 nan 0.000 0.464 141 Y N 1.653 122.018 120.300 0.108 0.000 2.553 141 Y HA 0.355 4.905 4.550 -0.000 0.000 0.347 141 Y C -2.061 173.918 175.900 0.133 0.000 1.019 141 Y CA -2.647 55.517 58.100 0.105 0.000 1.032 141 Y CB 1.866 40.384 38.460 0.096 0.000 1.284 141 Y HN 0.471 nan 8.280 nan 0.000 0.466 142 P HA 0.164 nan 4.420 nan 0.000 0.272 142 P C 0.543 178.011 177.300 0.279 0.000 1.240 142 P CA -0.001 63.288 63.100 0.314 0.000 0.791 142 P CB 1.367 33.322 31.700 0.426 0.000 0.978 143 I N -2.773 117.861 120.570 0.107 0.000 3.035 143 I HA 0.333 4.503 4.170 -0.000 0.000 0.271 143 I C 1.003 176.939 176.117 -0.301 0.000 1.190 143 I CA 0.499 61.782 61.300 -0.029 0.000 1.472 143 I CB -0.272 37.693 38.000 -0.059 0.000 1.116 143 I HN 0.531 nan 8.210 nan 0.000 0.443 144 G N 1.300 109.702 108.800 -0.663 0.000 2.249 144 G HA2 0.001 3.961 3.960 -0.000 0.000 0.089 144 G HA3 0.001 3.961 3.960 -0.000 0.000 0.089 144 G C -0.919 173.511 174.900 -0.784 0.000 1.206 144 G CA -0.159 44.081 45.100 -1.433 0.000 1.190 144 G HN 0.016 nan 8.290 nan 0.000 0.454 145 V N 1.259 120.882 119.914 -0.485 0.000 2.461 145 V HA 0.574 4.694 4.120 -0.000 0.000 0.275 145 V C 0.434 176.380 176.094 -0.248 0.000 1.047 145 V CA -0.485 61.645 62.300 -0.282 0.000 0.955 145 V CB 1.086 32.768 31.823 -0.235 0.000 0.988 145 V HN 0.685 nan 8.190 nan 0.000 0.471 146 V N 3.709 123.459 119.914 -0.273 0.000 2.513 146 V HA 0.754 4.874 4.120 -0.000 0.000 0.299 146 V C 0.680 176.370 176.094 -0.675 0.000 1.035 146 V CA -0.331 61.764 62.300 -0.341 0.000 0.889 146 V CB 1.858 33.525 31.823 -0.261 0.000 0.988 146 V HN 0.978 nan 8.190 nan 0.000 0.440 147 G N 2.094 110.644 108.800 -0.415 0.000 2.379 147 G HA2 0.656 4.616 3.960 -0.000 0.000 0.327 147 G HA3 0.656 4.616 3.960 -0.000 0.000 0.327 147 G C -0.249 174.515 174.900 -0.226 0.000 1.145 147 G CA -0.410 44.460 45.100 -0.383 0.000 0.905 147 G HN 1.069 nan 8.290 nan 0.000 0.466 148 G N 0.293 109.001 108.800 -0.153 0.000 2.566 148 G HA2 0.599 4.559 3.960 -0.000 0.000 0.311 148 G HA3 0.599 4.559 3.960 -0.000 0.000 0.311 148 G C -0.963 174.088 174.900 0.252 0.000 1.322 148 G CA -0.612 44.654 45.100 0.277 0.000 0.969 148 G HN 0.638 nan 8.290 nan 0.000 0.490 149 I N 1.757 122.462 120.570 0.225 0.000 2.439 149 I HA 0.528 4.698 4.170 -0.000 0.000 0.283 149 I C 0.308 176.414 176.117 -0.018 0.000 1.023 149 I CA -0.689 60.699 61.300 0.147 0.000 1.100 149 I CB 1.999 40.158 38.000 0.265 0.000 1.238 149 I HN 0.592 nan 8.210 nan 0.000 0.445 150 A N 8.663 131.491 122.820 0.013 0.000 2.320 150 A HA 0.958 5.278 4.320 -0.000 0.000 0.334 150 A C -2.644 174.900 177.584 -0.066 0.000 1.147 150 A CA -1.549 50.452 52.037 -0.061 0.000 0.820 150 A CB 1.103 20.108 19.000 0.008 0.000 1.218 150 A HN 0.408 nan 8.150 nan 0.000 0.482 151 P HA 0.326 nan 4.420 nan 0.000 0.281 151 P C 0.250 177.541 177.300 -0.016 0.000 1.281 151 P CA -0.446 62.608 63.100 -0.077 0.000 0.811 151 P CB 0.611 32.203 31.700 -0.181 0.000 1.154 152 F N 0.708 120.667 119.950 0.015 0.000 2.416 152 F HA -0.001 4.526 4.527 -0.000 0.000 0.296 152 F C 1.731 177.526 175.800 -0.008 0.000 1.099 152 F CA 0.855 58.866 58.000 0.019 0.000 1.427 152 F CB -1.641 37.374 39.000 0.024 0.000 1.079 152 F HN 0.128 nan 8.300 nan 0.000 0.536 153 N N 0.766 118.809 118.700 -1.095 0.000 2.364 153 N HA -0.213 4.527 4.740 -0.000 0.000 0.183 153 N C -0.262 174.816 175.510 -0.721 0.000 1.022 153 N CA 1.031 53.553 53.050 -0.879 0.000 0.883 153 N CB -0.780 37.266 38.487 -0.735 0.000 0.965 153 N HN 0.442 nan 8.380 nan 0.000 0.438 154 F N 0.753 120.557 119.950 -0.243 0.000 2.769 154 F HA 0.378 4.905 4.527 -0.000 0.000 0.358 154 F C -1.676 174.026 175.800 -0.163 0.000 1.285 154 F CA -1.964 55.909 58.000 -0.211 0.000 1.199 154 F CB 1.979 40.778 39.000 -0.334 0.000 1.558 154 F HN -0.155 nan 8.300 nan 0.000 0.583 155 P HA -0.198 nan 4.420 nan 0.000 0.223 155 P C 1.113 178.461 177.300 0.081 0.000 1.144 155 P CA 1.536 64.679 63.100 0.072 0.000 0.783 155 P CB 0.486 32.231 31.700 0.075 0.000 0.771 156 M N -2.646 116.992 119.600 0.064 0.000 2.724 156 M HA 0.172 4.652 4.480 -0.000 0.000 0.231 156 M C 2.272 178.548 176.300 -0.041 0.000 1.568 156 M CA 0.175 55.508 55.300 0.054 0.000 1.153 156 M CB -0.177 32.458 32.600 0.058 0.000 1.345 156 M HN -0.299 nan 8.290 nan 0.000 0.555 157 M N 0.682 120.221 119.600 -0.103 0.000 2.065 157 M HA -0.180 4.300 4.480 -0.000 0.000 0.259 157 M C 1.693 177.538 176.300 -0.758 0.000 1.069 157 M CA 2.073 57.175 55.300 -0.330 0.000 1.110 157 M CB -0.221 32.143 32.600 -0.393 0.000 1.328 157 M HN 0.265 nan 8.290 nan 0.000 0.405 158 V N 1.095 120.448 119.914 -0.936 0.000 2.287 158 V HA -0.208 3.912 4.120 -0.000 0.000 0.248 158 V C -0.682 175.099 176.094 -0.521 0.000 1.053 158 V CA 2.223 63.762 62.300 -1.268 0.000 1.027 158 V CB -2.027 29.285 31.823 -0.852 0.000 0.646 158 V HN 0.388 nan 8.190 nan 0.000 0.447 159 P HA -0.119 nan 4.420 nan 0.000 0.216 159 P C 1.655 178.953 177.300 -0.003 0.000 1.150 159 P CA 1.494 64.659 63.100 0.110 0.000 0.837 159 P CB -0.188 31.680 31.700 0.281 0.000 0.786 160 C N -2.781 116.421 119.300 -0.163 0.000 2.466 160 C HA -0.016 4.444 4.460 -0.000 0.000 0.283 160 C C 2.022 176.924 174.990 -0.146 0.000 1.472 160 C CA 0.038 58.844 59.018 -0.353 0.000 1.765 160 C CB -2.126 25.487 27.740 -0.213 0.000 1.724 160 C HN 0.340 nan 8.230 nan 0.000 0.560 161 W N 0.217 121.397 121.300 -0.199 0.000 2.576 161 W HA 0.148 4.808 4.660 -0.000 0.000 0.270 161 W C 2.098 178.612 176.519 -0.009 0.000 1.255 161 W CA 0.460 57.734 57.345 -0.118 0.000 1.314 161 W CB -0.893 28.489 29.460 -0.129 0.000 1.101 161 W HN 0.372 nan 8.180 nan 0.000 0.595 162 M N -1.042 118.676 119.600 0.197 0.000 2.473 162 M HA 0.039 4.519 4.480 -0.000 0.000 0.230 162 M C 2.169 178.335 176.300 -0.223 0.000 1.226 162 M CA 1.207 56.656 55.300 0.248 0.000 1.235 162 M CB -1.457 31.407 32.600 0.441 0.000 1.162 162 M HN -0.133 nan 8.290 nan 0.000 0.486 163 F N 0.976 120.429 119.950 -0.829 0.000 2.161 163 F HA 0.028 4.555 4.527 -0.000 0.000 0.300 163 F C -1.003 174.474 175.800 -0.537 0.000 1.089 163 F CA 0.698 57.921 58.000 -1.295 0.000 1.282 163 F CB -2.892 35.161 39.000 -1.578 0.000 1.010 163 F HN 0.045 nan 8.300 nan 0.000 0.485 164 P HA -0.210 nan 4.420 nan 0.000 0.215 164 P C 1.949 179.184 177.300 -0.109 0.000 1.157 164 P CA 1.894 64.730 63.100 -0.439 0.000 0.868 164 P CB -0.137 31.247 31.700 -0.527 0.000 0.788 165 M N -0.175 119.392 119.600 -0.055 0.000 2.099 165 M HA -0.009 4.470 4.480 -0.000 0.000 0.262 165 M C 1.962 178.348 176.300 0.144 0.000 1.067 165 M CA 1.805 57.161 55.300 0.094 0.000 1.124 165 M CB -1.455 31.291 32.600 0.242 0.000 1.353 165 M HN -0.160 nan 8.290 nan 0.000 0.410 166 A N 0.497 123.324 122.820 0.013 0.000 1.873 166 A HA -0.193 4.127 4.320 -0.000 0.000 0.218 166 A C 2.248 179.914 177.584 0.136 0.000 1.193 166 A CA 2.327 54.287 52.037 -0.129 0.000 0.629 166 A CB -1.310 17.482 19.000 -0.347 0.000 0.826 166 A HN 0.617 nan 8.150 nan 0.000 0.447 167 I N -0.436 120.231 120.570 0.163 0.000 2.226 167 I HA -0.285 3.885 4.170 -0.000 0.000 0.245 167 I C 2.962 179.371 176.117 0.487 0.000 1.100 167 I CA 1.086 62.579 61.300 0.322 0.000 1.374 167 I CB -0.409 37.680 38.000 0.148 0.000 1.057 167 I HN 0.386 nan 8.210 nan 0.000 0.413 168 A N 0.846 123.850 122.820 0.306 0.000 1.972 168 A HA -0.119 4.201 4.320 -0.000 0.000 0.219 168 A C 2.178 179.858 177.584 0.161 0.000 1.169 168 A CA 1.213 53.396 52.037 0.244 0.000 0.635 168 A CB -0.759 18.324 19.000 0.137 0.000 0.810 168 A HN 0.431 nan 8.150 nan 0.000 0.446 169 L N -1.317 120.011 121.223 0.174 0.000 2.622 169 L HA 0.114 4.454 4.340 -0.000 0.000 0.233 169 L C 1.682 178.639 176.870 0.146 0.000 1.156 169 L CA 0.609 55.535 54.840 0.143 0.000 0.866 169 L CB -0.358 41.817 42.059 0.193 0.000 0.980 169 L HN 0.622 nan 8.230 nan 0.000 0.448 170 G N -0.415 108.501 108.800 0.193 0.000 2.179 170 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.220 170 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.220 170 G C 0.019 175.219 174.900 0.500 0.000 0.990 170 G CA -0.088 45.092 45.100 0.133 0.000 0.646 170 G HN 0.464 nan 8.290 nan 0.000 0.517 171 N N 0.484 119.498 118.700 0.524 0.000 2.413 171 N HA 0.638 5.378 4.740 -0.000 0.000 0.266 171 N C 0.443 176.251 175.510 0.497 0.000 1.238 171 N CA 0.371 53.714 53.050 0.488 0.000 0.972 171 N CB 0.749 39.359 38.487 0.205 0.000 1.210 171 N HN 0.368 nan 8.380 nan 0.000 0.547 172 T N -2.388 112.347 114.554 0.301 0.000 2.940 172 T HA 0.617 4.967 4.350 -0.000 0.000 0.288 172 T C -0.998 173.794 174.700 0.154 0.000 1.033 172 T CA -0.659 61.546 62.100 0.174 0.000 1.033 172 T CB 0.818 69.761 68.868 0.126 0.000 1.079 172 T HN 0.294 nan 8.240 nan 0.000 0.496 173 F N 0.343 120.293 119.950 0.001 0.000 2.576 173 F HA 0.715 5.242 4.527 -0.000 0.000 0.313 173 F C -1.209 174.609 175.800 0.029 0.000 1.078 173 F CA -1.423 56.609 58.000 0.053 0.000 0.921 173 F CB 1.820 40.924 39.000 0.172 0.000 1.232 173 F HN 0.538 nan 8.300 nan 0.000 0.459 174 I N 6.549 126.978 120.570 -0.235 0.000 2.476 174 I HA 0.278 4.447 4.170 -0.000 0.000 0.281 174 I C -1.512 174.575 176.117 -0.051 0.000 1.040 174 I CA -0.797 60.428 61.300 -0.124 0.000 1.094 174 I CB 1.694 39.569 38.000 -0.207 0.000 1.219 174 I HN 0.309 nan 8.210 nan 0.000 0.450 175 L N 7.452 128.791 121.223 0.193 0.000 2.295 175 L HA 0.464 4.804 4.340 -0.000 0.000 0.285 175 L C -0.333 176.569 176.870 0.053 0.000 1.035 175 L CA -0.003 55.007 54.840 0.284 0.000 0.806 175 L CB 1.130 43.453 42.059 0.439 0.000 1.214 175 L HN 0.435 nan 8.230 nan 0.000 0.426 176 K N 7.623 128.080 120.400 0.095 0.000 2.473 176 K HA 0.470 4.790 4.320 -0.000 0.000 0.246 176 K C -2.604 174.062 176.600 0.109 0.000 1.011 176 K CA -1.864 54.459 56.287 0.060 0.000 0.984 176 K CB 1.084 33.640 32.500 0.094 0.000 1.250 176 K HN 0.466 nan 8.250 nan 0.000 0.454 177 P HA -0.017 nan 4.420 nan 0.000 0.277 177 P C -0.316 177.100 177.300 0.193 0.000 1.276 177 P CA -0.420 62.777 63.100 0.162 0.000 0.788 177 P CB 0.707 32.530 31.700 0.205 0.000 1.114 178 S N 0.233 116.040 115.700 0.179 0.000 2.533 178 S HA 0.005 4.474 4.470 -0.000 0.000 0.282 178 S C 1.517 176.230 174.600 0.189 0.000 1.304 178 S CA -0.454 57.854 58.200 0.180 0.000 1.063 178 S CB -0.151 63.166 63.200 0.194 0.000 0.881 178 S HN 0.439 nan 8.310 nan 0.000 0.493 179 E N 5.548 125.846 120.200 0.163 0.000 2.265 179 E HA -0.175 4.175 4.350 -0.000 0.000 0.196 179 E C 1.371 178.014 176.600 0.070 0.000 0.996 179 E CA 1.030 57.503 56.400 0.122 0.000 0.832 179 E CB -0.225 29.532 29.700 0.095 0.000 0.756 179 E HN 0.762 nan 8.360 nan 0.000 0.491 180 R N 0.563 121.110 120.500 0.078 0.000 2.246 180 R HA 0.050 4.390 4.340 -0.000 0.000 0.199 180 R C 0.613 176.946 176.300 0.055 0.000 0.984 180 R CA 1.319 57.439 56.100 0.032 0.000 1.015 180 R CB 0.299 30.584 30.300 -0.024 0.000 0.930 180 R HN 0.275 nan 8.270 nan 0.000 0.475 181 T N -2.293 112.324 114.554 0.105 0.000 3.542 181 T HA 0.244 4.594 4.350 -0.000 0.000 0.276 181 T C -2.234 172.543 174.700 0.128 0.000 1.412 181 T CA -1.359 60.803 62.100 0.104 0.000 1.664 181 T CB 1.515 70.462 68.868 0.132 0.000 0.863 181 T HN -0.104 nan 8.240 nan 0.000 0.661 182 P HA 0.106 nan 4.420 nan 0.000 0.226 182 P C 1.524 178.913 177.300 0.147 0.000 1.161 182 P CA -0.047 63.148 63.100 0.159 0.000 0.804 182 P CB 0.251 31.852 31.700 -0.165 0.000 0.829 183 L N 0.020 121.275 121.223 0.053 0.000 2.042 183 L HA -0.147 4.193 4.340 -0.000 0.000 0.210 183 L C 2.606 179.532 176.870 0.093 0.000 1.076 183 L CA 1.482 56.349 54.840 0.045 0.000 0.749 183 L CB -1.903 40.164 42.059 0.015 0.000 0.893 183 L HN -0.018 nan 8.230 nan 0.000 0.432 184 L N -0.666 120.623 121.223 0.109 0.000 1.989 184 L HA -0.246 4.094 4.340 -0.000 0.000 0.211 184 L C 2.333 179.302 176.870 0.165 0.000 1.071 184 L CA 2.260 57.173 54.840 0.121 0.000 0.749 184 L CB -1.217 40.909 42.059 0.113 0.000 0.890 184 L HN 0.315 nan 8.230 nan 0.000 0.431 185 T N -0.251 114.427 114.554 0.205 0.000 2.721 185 T HA -0.279 4.071 4.350 -0.000 0.000 0.268 185 T C 1.718 176.556 174.700 0.230 0.000 1.038 185 T CA 1.777 64.011 62.100 0.224 0.000 1.145 185 T CB -0.179 68.822 68.868 0.222 0.000 0.858 185 T HN 0.448 nan 8.240 nan 0.000 0.459 186 E N 0.546 120.906 120.200 0.267 0.000 2.085 186 E HA -0.214 4.136 4.350 -0.000 0.000 0.194 186 E C 2.238 178.953 176.600 0.191 0.000 0.994 186 E CA 1.022 57.580 56.400 0.263 0.000 0.801 186 E CB 0.046 29.787 29.700 0.067 0.000 0.743 186 E HN 0.107 nan 8.360 nan 0.000 0.453 187 K N 0.455 120.934 120.400 0.131 0.000 2.097 187 K HA -0.088 4.232 4.320 -0.000 0.000 0.205 187 K C 2.221 178.928 176.600 0.177 0.000 1.050 187 K CA 0.760 57.108 56.287 0.102 0.000 0.938 187 K CB -0.346 32.187 32.500 0.055 0.000 0.718 187 K HN 0.281 nan 8.250 nan 0.000 0.442 188 L N 0.248 121.620 121.223 0.248 0.000 2.046 188 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 188 L C 2.382 179.496 176.870 0.406 0.000 1.077 188 L CA 0.825 55.911 54.840 0.411 0.000 0.747 188 L CB -0.602 41.741 42.059 0.474 0.000 0.896 188 L HN -0.114 nan 8.230 nan 0.000 0.432 189 V N 0.012 120.066 119.914 0.233 0.000 2.295 189 V HA -0.280 3.840 4.120 -0.000 0.000 0.246 189 V C 2.404 178.497 176.094 -0.002 0.000 1.049 189 V CA 1.892 64.177 62.300 -0.025 0.000 1.024 189 V CB -0.472 31.080 31.823 -0.451 0.000 0.648 189 V HN 0.458 nan 8.190 nan 0.000 0.447 190 E N -0.038 120.240 120.200 0.129 0.000 2.051 190 E HA -0.196 4.154 4.350 -0.000 0.000 0.192 190 E C 2.234 178.940 176.600 0.176 0.000 0.991 190 E CA 1.338 57.828 56.400 0.151 0.000 0.799 190 E CB -0.215 29.572 29.700 0.146 0.000 0.748 190 E HN 0.496 nan 8.360 nan 0.000 0.449 191 L N 0.018 121.384 121.223 0.239 0.000 2.093 191 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 191 L C 2.369 179.534 176.870 0.491 0.000 1.085 191 L CA 0.909 55.948 54.840 0.332 0.000 0.755 191 L CB -0.309 41.953 42.059 0.338 0.000 0.904 191 L HN 0.184 nan 8.230 nan 0.000 0.435 192 F N 0.566 120.626 119.950 0.184 0.000 2.325 192 F HA -0.202 4.325 4.527 0.000 0.000 0.299 192 F C 2.577 178.332 175.800 -0.074 0.000 1.090 192 F CA 0.700 58.546 58.000 -0.257 0.000 1.392 192 F CB 0.304 38.902 39.000 -0.670 0.000 1.053 192 F HN 0.169 nan 8.300 nan 0.000 0.521 193 E N 0.709 121.011 120.200 0.170 0.000 2.072 193 E HA -0.212 4.138 4.350 -0.000 0.000 0.190 193 E C 1.967 178.644 176.600 0.127 0.000 0.982 193 E CA 0.996 57.445 56.400 0.082 0.000 0.803 193 E CB 0.076 29.822 29.700 0.077 0.000 0.755 193 E HN 0.372 nan 8.360 nan 0.000 0.453 194 K N 0.069 120.576 120.400 0.179 0.000 2.147 194 K HA -0.070 4.250 4.320 -0.000 0.000 0.205 194 K C 1.989 178.709 176.600 0.201 0.000 1.049 194 K CA 0.880 57.274 56.287 0.178 0.000 0.936 194 K CB -0.048 32.566 32.500 0.189 0.000 0.722 194 K HN 0.079 nan 8.250 nan 0.000 0.446 195 A N 0.616 123.601 122.820 0.275 0.000 2.216 195 A HA 0.043 4.363 4.320 -0.000 0.000 0.214 195 A C 1.470 179.188 177.584 0.222 0.000 1.160 195 A CA 1.241 53.462 52.037 0.306 0.000 0.725 195 A CB -0.448 18.843 19.000 0.485 0.000 0.784 195 A HN 0.464 nan 8.150 nan 0.000 0.472 196 G N -2.267 106.621 108.800 0.147 0.000 2.148 196 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.203 196 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.203 196 G C -0.026 174.876 174.900 0.003 0.000 0.993 196 G CA 0.010 45.163 45.100 0.088 0.000 0.661 196 G HN 0.714 nan 8.290 nan 0.000 0.518 197 L N 3.188 124.333 121.223 -0.129 0.000 2.462 197 L HA 0.472 4.812 4.340 -0.000 0.000 0.272 197 L C -0.789 175.912 176.870 -0.281 0.000 1.166 197 L CA -1.517 53.090 54.840 -0.388 0.000 0.880 197 L CB 0.062 41.589 42.059 -0.888 0.000 1.142 197 L HN 0.134 nan 8.230 nan 0.000 0.473 198 P HA 0.097 nan 4.420 nan 0.000 0.272 198 P C -1.252 175.909 177.300 -0.232 0.000 1.230 198 P CA -0.628 62.368 63.100 -0.173 0.000 0.788 198 P CB 0.354 32.016 31.700 -0.063 0.000 0.949 199 K N 0.120 120.422 120.400 -0.163 0.000 2.469 199 K HA 0.215 4.535 4.320 -0.000 0.000 0.274 199 K C 0.980 177.443 176.600 -0.228 0.000 0.983 199 K CA 0.310 56.473 56.287 -0.206 0.000 0.974 199 K CB -0.727 31.667 32.500 -0.176 0.000 0.913 199 K HN 0.735 nan 8.250 nan 0.000 0.493 200 G N 1.046 109.674 108.800 -0.288 0.000 2.245 200 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.264 200 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.264 200 G C 0.723 175.490 174.900 -0.222 0.000 0.985 200 G CA 0.336 45.282 45.100 -0.257 0.000 0.625 200 G HN 0.443 nan 8.290 nan 0.000 0.536 201 V N -0.435 119.302 119.914 -0.296 0.000 2.407 201 V HA 0.318 4.438 4.120 -0.000 0.000 0.245 201 V C 1.091 177.087 176.094 -0.165 0.000 1.041 201 V CA 1.780 63.846 62.300 -0.390 0.000 1.040 201 V CB -0.220 31.040 31.823 -0.938 0.000 0.671 201 V HN 0.427 nan 8.190 nan 0.000 0.455 202 F N 2.575 122.313 119.950 -0.353 0.000 2.382 202 F HA 0.530 5.057 4.527 -0.000 0.000 0.361 202 F C -0.296 175.425 175.800 -0.132 0.000 1.109 202 F CA -1.845 56.010 58.000 -0.242 0.000 1.031 202 F CB 0.306 39.080 39.000 -0.377 0.000 1.234 202 F HN 0.080 nan 8.300 nan 0.000 0.445 203 N N 4.599 123.181 118.700 -0.196 0.000 2.319 203 N HA 0.591 5.330 4.740 -0.000 0.000 0.305 203 N C -1.547 173.692 175.510 -0.450 0.000 1.103 203 N CA -0.534 52.303 53.050 -0.354 0.000 0.815 203 N CB 2.970 41.290 38.487 -0.278 0.000 1.288 203 N HN 0.252 nan 8.380 nan 0.000 0.493 204 V N 1.691 121.330 119.914 -0.458 0.000 2.531 204 V HA 0.381 4.501 4.120 -0.000 0.000 0.301 204 V C -0.477 175.403 176.094 -0.357 0.000 1.034 204 V CA -0.696 61.328 62.300 -0.462 0.000 0.865 204 V CB 2.087 33.543 31.823 -0.612 0.000 0.995 204 V HN 0.356 nan 8.190 nan 0.000 0.424 205 V N 5.670 125.408 119.914 -0.294 0.000 2.380 205 V HA 0.423 4.543 4.120 -0.000 0.000 0.286 205 V C -0.747 175.271 176.094 -0.126 0.000 1.015 205 V CA -0.817 61.387 62.300 -0.160 0.000 0.834 205 V CB 1.161 32.938 31.823 -0.077 0.000 1.009 205 V HN 0.738 nan 8.190 nan 0.000 0.428 206 Y N 2.962 123.299 120.300 0.062 0.000 2.397 206 Y HA 0.667 5.217 4.550 -0.000 0.000 0.335 206 Y C 1.173 177.097 175.900 0.041 0.000 1.213 206 Y CA 1.318 59.457 58.100 0.065 0.000 1.391 206 Y CB 1.498 40.005 38.460 0.079 0.000 1.293 206 Y HN 0.845 nan 8.280 nan 0.000 0.557 207 G N -0.497 108.437 108.800 0.224 0.000 2.351 207 G HA2 0.464 4.424 3.960 -0.000 0.000 0.279 207 G HA3 0.464 4.424 3.960 -0.000 0.000 0.279 207 G C -1.183 173.797 174.900 0.135 0.000 1.297 207 G CA -0.171 45.006 45.100 0.129 0.000 0.886 207 G HN 0.845 nan 8.290 nan 0.000 0.493 208 A N -1.695 121.198 122.820 0.122 0.000 2.970 208 A HA 0.710 5.030 4.320 -0.000 0.000 0.197 208 A C 1.239 178.990 177.584 0.278 0.000 1.411 208 A CA 0.922 53.072 52.037 0.187 0.000 1.518 208 A CB -0.770 18.282 19.000 0.087 0.000 1.658 208 A HN 0.795 nan 8.150 nan 0.000 0.539 209 H N -0.165 118.938 119.070 0.055 0.000 2.326 209 H HA -0.120 4.436 4.556 -0.000 0.000 0.301 209 H C 1.314 176.678 175.328 0.060 0.000 1.081 209 H CA 1.160 57.242 56.048 0.056 0.000 1.334 209 H CB 0.038 29.814 29.762 0.022 0.000 1.385 209 H HN 0.501 nan 8.280 nan 0.000 0.504 210 D N 0.600 121.104 120.400 0.174 0.000 2.116 210 D HA -0.145 4.494 4.640 -0.000 0.000 0.193 210 D C 2.346 178.708 176.300 0.104 0.000 0.998 210 D CA 0.888 54.954 54.000 0.110 0.000 0.836 210 D CB -0.422 40.419 40.800 0.067 0.000 0.951 210 D HN 0.107 nan 8.370 nan 0.000 0.449 211 V N 0.275 120.252 119.914 0.105 0.000 2.343 211 V HA -0.198 3.922 4.120 -0.000 0.000 0.247 211 V C 2.601 178.755 176.094 0.101 0.000 1.051 211 V CA 1.002 63.356 62.300 0.091 0.000 1.036 211 V CB -0.400 31.475 31.823 0.087 0.000 0.654 211 V HN 0.068 nan 8.190 nan 0.000 0.451 212 V N 0.618 120.612 119.914 0.132 0.000 2.261 212 V HA -0.250 3.870 4.120 -0.000 0.000 0.246 212 V C 2.286 178.451 176.094 0.117 0.000 1.047 212 V CA 2.198 64.582 62.300 0.139 0.000 1.015 212 V CB -0.822 31.099 31.823 0.163 0.000 0.642 212 V HN 0.583 nan 8.190 nan 0.000 0.446 213 N N 0.630 119.403 118.700 0.122 0.000 2.364 213 N HA -0.114 4.626 4.740 -0.000 0.000 0.183 213 N C 1.812 177.368 175.510 0.078 0.000 1.022 213 N CA 1.470 54.583 53.050 0.105 0.000 0.883 213 N CB -0.357 38.200 38.487 0.117 0.000 0.965 213 N HN 0.571 nan 8.380 nan 0.000 0.438 214 G N 1.206 110.056 108.800 0.084 0.000 2.402 214 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.216 214 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.216 214 G C 1.657 176.612 174.900 0.091 0.000 1.162 214 G CA 0.139 45.293 45.100 0.090 0.000 0.777 214 G HN 0.237 nan 8.290 nan 0.000 0.539 215 I N 0.341 120.949 120.570 0.063 0.000 2.286 215 I HA -0.114 4.056 4.170 -0.000 0.000 0.248 215 I C 2.643 178.783 176.117 0.037 0.000 1.115 215 I CA 0.681 62.003 61.300 0.037 0.000 1.392 215 I CB -0.154 37.868 38.000 0.037 0.000 1.065 215 I HN 0.137 nan 8.210 nan 0.000 0.418 216 L N 0.130 121.371 121.223 0.031 0.000 2.072 216 L HA -0.161 4.179 4.340 -0.000 0.000 0.205 216 L C 2.325 179.187 176.870 -0.014 0.000 1.079 216 L CA 1.438 56.271 54.840 -0.012 0.000 0.752 216 L CB -0.448 41.580 42.059 -0.052 0.000 0.906 216 L HN 0.204 nan 8.230 nan 0.000 0.436 217 E N -1.848 118.357 120.200 0.009 0.000 2.230 217 E HA -0.068 4.282 4.350 -0.000 0.000 0.192 217 E C 0.673 177.270 176.600 -0.005 0.000 0.987 217 E CA -0.020 56.375 56.400 -0.009 0.000 0.841 217 E CB 0.121 29.815 29.700 -0.009 0.000 0.783 217 E HN 0.275 nan 8.360 nan 0.000 0.481 218 H N 2.171 121.222 119.070 -0.031 0.000 2.975 218 H HA -0.007 4.549 4.556 -0.000 0.000 0.303 218 H C -1.517 173.784 175.328 -0.046 0.000 1.023 218 H CA -1.489 54.538 56.048 -0.034 0.000 1.473 218 H CB 1.141 30.882 29.762 -0.034 0.000 1.498 218 H HN 0.011 nan 8.280 nan 0.000 0.549 219 P HA -0.118 nan 4.420 nan 0.000 0.222 219 P C 0.825 178.186 177.300 0.102 0.000 1.147 219 P CA 0.821 63.946 63.100 0.040 0.000 0.790 219 P CB 0.589 32.266 31.700 -0.038 0.000 0.780 220 E N -0.065 120.296 120.200 0.269 0.000 2.358 220 E HA 0.059 4.409 4.350 -0.000 0.000 0.195 220 E C 1.013 177.581 176.600 -0.054 0.000 1.010 220 E CA 0.228 56.670 56.400 0.070 0.000 0.856 220 E CB -0.203 29.509 29.700 0.020 0.000 0.795 220 E HN 0.446 nan 8.360 nan 0.000 0.504 221 I N 1.886 122.438 120.570 -0.030 0.000 2.269 221 I HA 0.066 4.236 4.170 -0.000 0.000 0.293 221 I C 1.022 177.096 176.117 -0.073 0.000 1.106 221 I CA -0.269 60.977 61.300 -0.090 0.000 1.248 221 I CB 0.813 38.766 38.000 -0.079 0.000 1.444 221 I HN -0.338 nan 8.210 nan 0.000 0.497 222 K N 4.079 124.414 120.400 -0.107 0.000 2.217 222 K HA 0.157 4.477 4.320 -0.000 0.000 0.202 222 K C 0.508 177.056 176.600 -0.087 0.000 1.051 222 K CA 0.445 56.672 56.287 -0.099 0.000 0.952 222 K CB 0.189 32.611 32.500 -0.129 0.000 0.736 222 K HN 0.673 nan 8.250 nan 0.000 0.453 223 A N 0.130 122.908 122.820 -0.070 0.000 2.475 223 A HA 0.706 5.026 4.320 -0.000 0.000 0.301 223 A C -1.221 176.440 177.584 0.129 0.000 1.059 223 A CA -0.675 51.357 52.037 -0.008 0.000 0.710 223 A CB 1.224 20.153 19.000 -0.118 0.000 1.288 223 A HN 0.075 nan 8.150 nan 0.000 0.408 224 I N 1.220 121.966 120.570 0.293 0.000 2.466 224 I HA 0.349 4.519 4.170 -0.000 0.000 0.289 224 I C -0.249 176.157 176.117 0.482 0.000 1.026 224 I CA -0.338 61.147 61.300 0.308 0.000 1.078 224 I CB 2.400 40.513 38.000 0.188 0.000 1.249 224 I HN 0.514 nan 8.210 nan 0.000 0.429 225 S N 6.272 122.244 115.700 0.453 0.000 2.498 225 S HA 0.479 4.949 4.470 -0.000 0.000 0.324 225 S C -0.844 173.989 174.600 0.389 0.000 1.071 225 S CA -0.383 58.075 58.200 0.429 0.000 1.113 225 S CB 0.581 64.112 63.200 0.553 0.000 0.976 225 S HN 0.395 nan 8.310 nan 0.000 0.462 226 F N 4.480 124.570 119.950 0.234 0.000 2.467 226 F HA 0.671 5.198 4.527 -0.000 0.000 0.336 226 F C -0.924 175.005 175.800 0.216 0.000 1.123 226 F CA -0.640 57.487 58.000 0.213 0.000 0.964 226 F CB 0.978 40.095 39.000 0.196 0.000 1.136 226 F HN 0.247 nan 8.300 nan 0.000 0.447 227 V N 6.462 125.995 119.914 -0.634 0.000 2.376 227 V HA 0.888 5.008 4.120 -0.000 0.000 0.287 227 V C 0.016 175.656 176.094 -0.756 0.000 1.015 227 V CA 0.085 62.158 62.300 -0.378 0.000 0.834 227 V CB 0.599 32.327 31.823 -0.158 0.000 1.001 227 V HN 1.111 nan 8.190 nan 0.000 0.428 228 G N 3.250 111.827 108.800 -0.373 0.000 2.450 228 G HA2 0.476 4.436 3.960 -0.000 0.000 0.273 228 G HA3 0.476 4.436 3.960 -0.000 0.000 0.273 228 G C -0.462 174.566 174.900 0.213 0.000 1.221 228 G CA 0.125 45.155 45.100 -0.118 0.000 0.900 228 G HN 0.840 nan 8.290 nan 0.000 0.483 229 S N -0.110 115.746 115.700 0.261 0.000 2.603 229 S HA 0.313 4.783 4.470 -0.000 0.000 0.268 229 S C 1.394 176.173 174.600 0.298 0.000 1.317 229 S CA 0.598 58.905 58.200 0.179 0.000 1.012 229 S CB 1.898 65.159 63.200 0.101 0.000 0.926 229 S HN 0.938 nan 8.310 nan 0.000 0.539 230 K N 1.913 122.481 120.400 0.280 0.000 2.020 230 K HA -0.102 4.218 4.320 -0.000 0.000 0.212 230 K C -0.739 176.012 176.600 0.252 0.000 1.050 230 K CA 1.780 58.280 56.287 0.355 0.000 0.929 230 K CB -1.328 31.421 32.500 0.416 0.000 0.714 230 K HN 0.605 nan 8.250 nan 0.000 0.443 231 P HA -0.148 nan 4.420 nan 0.000 0.214 231 P C 1.653 178.981 177.300 0.046 0.000 1.163 231 P CA 1.370 64.523 63.100 0.089 0.000 0.883 231 P CB -0.115 31.630 31.700 0.075 0.000 0.788 232 V N 0.506 120.453 119.914 0.054 0.000 2.358 232 V HA -0.133 3.987 4.120 -0.000 0.000 0.246 232 V C 2.956 178.866 176.094 -0.307 0.000 1.047 232 V CA 2.379 64.656 62.300 -0.039 0.000 1.035 232 V CB -1.988 29.896 31.823 0.103 0.000 0.658 232 V HN 0.192 nan 8.190 nan 0.000 0.452 233 G N -0.502 108.142 108.800 -0.261 0.000 2.418 233 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.217 233 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.217 233 G C 1.527 176.334 174.900 -0.156 0.000 1.158 233 G CA 0.934 45.796 45.100 -0.396 0.000 0.771 233 G HN 0.584 nan 8.290 nan 0.000 0.545 234 E N -0.689 119.455 120.200 -0.094 0.000 2.110 234 E HA -0.195 4.155 4.350 -0.000 0.000 0.193 234 E C 2.007 178.483 176.600 -0.206 0.000 0.988 234 E CA 0.908 57.096 56.400 -0.353 0.000 0.804 234 E CB -0.323 29.188 29.700 -0.315 0.000 0.745 234 E HN 0.595 nan 8.360 nan 0.000 0.458 235 Y N 0.210 120.370 120.300 -0.233 0.000 2.200 235 Y HA -0.159 4.391 4.550 -0.000 0.000 0.290 235 Y C 1.971 177.749 175.900 -0.205 0.000 1.137 235 Y CA 1.408 59.390 58.100 -0.198 0.000 1.163 235 Y CB -0.191 38.161 38.460 -0.180 0.000 0.988 235 Y HN -0.098 nan 8.280 nan 0.000 0.518 236 V N 0.033 119.737 119.914 -0.351 0.000 2.407 236 V HA -0.301 3.819 4.120 -0.000 0.000 0.248 236 V C 2.046 177.970 176.094 -0.283 0.000 1.055 236 V CA 2.217 64.278 62.300 -0.398 0.000 1.049 236 V CB -1.058 30.502 31.823 -0.439 0.000 0.662 236 V HN 0.591 nan 8.190 nan 0.000 0.455 237 Y N 1.109 121.230 120.300 -0.299 0.000 2.114 237 Y HA -0.220 4.330 4.550 -0.000 0.000 0.284 237 Y C 2.536 178.289 175.900 -0.246 0.000 1.143 237 Y CA 1.895 59.864 58.100 -0.219 0.000 1.135 237 Y CB -0.153 38.158 38.460 -0.247 0.000 0.980 237 Y HN 0.148 nan 8.280 nan 0.000 0.499 238 K N 0.068 120.339 120.400 -0.216 0.000 2.026 238 K HA -0.217 4.103 4.320 -0.000 0.000 0.208 238 K C 2.231 178.640 176.600 -0.318 0.000 1.048 238 K CA 1.779 57.919 56.287 -0.245 0.000 0.929 238 K CB -0.237 32.153 32.500 -0.183 0.000 0.713 238 K HN 0.191 nan 8.250 nan 0.000 0.439 239 K N 0.568 120.709 120.400 -0.432 0.000 2.057 239 K HA -0.134 4.186 4.320 -0.000 0.000 0.207 239 K C 2.203 178.617 176.600 -0.310 0.000 1.049 239 K CA 1.547 57.586 56.287 -0.412 0.000 0.931 239 K CB -0.279 31.827 32.500 -0.656 0.000 0.714 239 K HN 0.249 nan 8.250 nan 0.000 0.440 240 G N 0.087 108.692 108.800 -0.325 0.000 2.459 240 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.217 240 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.217 240 G C 1.491 176.234 174.900 -0.260 0.000 1.183 240 G CA 1.101 46.051 45.100 -0.249 0.000 0.776 240 G HN 0.332 nan 8.290 nan 0.000 0.552 241 S N 0.525 116.002 115.700 -0.373 0.000 2.368 241 S HA -0.105 4.365 4.470 -0.000 0.000 0.225 241 S C 2.148 176.626 174.600 -0.204 0.000 1.030 241 S CA 1.513 59.517 58.200 -0.326 0.000 0.999 241 S CB -0.224 62.718 63.200 -0.431 0.000 0.844 241 S HN 0.475 nan 8.310 nan 0.000 0.459 242 E N 2.121 122.203 120.200 -0.196 0.000 2.160 242 E HA -0.070 4.280 4.350 -0.000 0.000 0.195 242 E C 1.080 177.610 176.600 -0.117 0.000 0.991 242 E CA 0.886 57.202 56.400 -0.140 0.000 0.810 242 E CB -0.187 29.429 29.700 -0.140 0.000 0.742 242 E HN 0.325 nan 8.360 nan 0.000 0.466 243 N N 0.415 119.038 118.700 -0.128 0.000 2.313 243 N HA -0.004 4.736 4.740 -0.000 0.000 0.207 243 N C -0.283 175.174 175.510 -0.088 0.000 1.141 243 N CA 0.115 53.106 53.050 -0.099 0.000 0.830 243 N CB 0.481 38.911 38.487 -0.096 0.000 1.008 243 N HN 0.083 nan 8.380 nan 0.000 0.481 244 L N -0.352 120.814 121.223 -0.096 0.000 3.976 244 L HA -0.284 4.056 4.340 -0.000 0.000 0.418 244 L C 0.371 177.194 176.870 -0.077 0.000 1.177 244 L CA 1.429 56.220 54.840 -0.081 0.000 0.968 244 L CB -2.550 39.473 42.059 -0.061 0.000 1.933 244 L HN 0.426 nan 8.230 nan 0.000 0.976 245 K N 0.008 120.354 120.400 -0.091 0.000 2.267 245 K HA 0.701 5.021 4.320 -0.000 0.000 0.246 245 K C 0.429 176.986 176.600 -0.073 0.000 0.954 245 K CA -1.158 55.084 56.287 -0.074 0.000 0.824 245 K CB 1.958 34.422 32.500 -0.061 0.000 1.167 245 K HN 0.227 nan 8.250 nan 0.000 0.431 246 R N 0.568 121.039 120.500 -0.047 0.000 2.543 246 R HA 0.387 4.727 4.340 -0.000 0.000 0.277 246 R C -0.487 175.913 176.300 0.166 0.000 1.074 246 R CA -0.805 55.307 56.100 0.021 0.000 1.076 246 R CB 1.024 31.292 30.300 -0.054 0.000 0.993 246 R HN 0.473 nan 8.270 nan 0.000 0.459 247 V N 2.084 122.166 119.914 0.280 0.000 3.087 247 V HA 0.367 4.487 4.120 -0.000 0.000 0.306 247 V C -1.773 174.589 176.094 0.447 0.000 1.187 247 V CA -0.757 61.774 62.300 0.385 0.000 0.999 247 V CB 2.383 34.265 31.823 0.099 0.000 1.049 247 V HN 1.071 nan 8.190 nan 0.000 0.431 248 Q N 3.077 123.048 119.800 0.284 0.000 2.292 248 Q HA 0.723 5.063 4.340 -0.000 0.000 0.270 248 Q C -1.428 174.729 176.000 0.262 0.000 1.024 248 Q CA -0.596 55.277 55.803 0.117 0.000 0.768 248 Q CB 2.116 30.662 28.738 -0.321 0.000 1.250 248 Q HN 0.579 nan 8.270 nan 0.000 0.447 249 S N 3.400 119.255 115.700 0.258 0.000 2.566 249 S HA 0.428 4.898 4.470 -0.000 0.000 0.324 249 S C -0.834 173.997 174.600 0.385 0.000 1.081 249 S CA -0.587 57.867 58.200 0.424 0.000 1.105 249 S CB 0.500 63.989 63.200 0.481 0.000 0.981 249 S HN 0.520 nan 8.310 nan 0.000 0.464 250 L N 4.361 125.855 121.223 0.451 0.000 2.259 250 L HA 0.397 4.737 4.340 -0.000 0.000 0.288 250 L C 1.093 178.170 176.870 0.345 0.000 1.051 250 L CA 0.044 55.128 54.840 0.407 0.000 0.824 250 L CB 0.582 42.874 42.059 0.388 0.000 1.206 250 L HN 0.732 nan 8.230 nan 0.000 0.429 251 T N -0.461 114.260 114.554 0.280 0.000 2.898 251 T HA 0.711 5.061 4.350 -0.000 0.000 0.283 251 T C 0.783 175.599 174.700 0.194 0.000 1.059 251 T CA -0.360 61.904 62.100 0.272 0.000 0.958 251 T CB 0.384 69.429 68.868 0.296 0.000 1.594 251 T HN 0.515 nan 8.240 nan 0.000 0.598 252 G N -0.323 108.581 108.800 0.174 0.000 2.794 252 G HA2 0.469 4.429 3.960 -0.000 0.000 0.249 252 G HA3 0.469 4.429 3.960 -0.000 0.000 0.249 252 G C -0.282 174.498 174.900 -0.199 0.000 1.236 252 G CA -0.191 44.876 45.100 -0.055 0.000 0.880 252 G HN 1.198 nan 8.290 nan 0.000 0.586 253 A N -0.189 122.316 122.820 -0.524 0.000 2.587 253 A HA 0.798 5.118 4.320 -0.000 0.000 0.293 253 A C -0.388 176.876 177.584 -0.533 0.000 1.087 253 A CA -0.629 51.165 52.037 -0.405 0.000 0.692 253 A CB 2.043 21.011 19.000 -0.054 0.000 1.291 253 A HN 0.463 nan 8.150 nan 0.000 0.407 254 K N 1.930 122.181 120.400 -0.247 0.000 3.262 254 K HA 0.164 4.484 4.320 -0.000 0.000 0.166 254 K C -0.970 175.687 176.600 0.094 0.000 1.091 254 K CA -0.347 55.862 56.287 -0.129 0.000 0.798 254 K CB 0.160 32.599 32.500 -0.102 0.000 0.953 254 K HN 0.807 nan 8.250 nan 0.000 0.588 255 N N 1.648 120.394 118.700 0.076 0.000 2.483 255 N HA 0.027 4.767 4.740 -0.000 0.000 0.264 255 N C -0.047 175.615 175.510 0.253 0.000 1.197 255 N CA 0.383 53.523 53.050 0.150 0.000 0.927 255 N CB 0.584 39.118 38.487 0.080 0.000 1.065 255 N HN 0.316 nan 8.380 nan 0.000 0.461 256 H N 0.241 119.351 119.070 0.066 0.000 2.502 256 H HA 0.365 4.921 4.556 -0.000 0.000 0.338 256 H C -0.184 175.214 175.328 0.116 0.000 1.155 256 H CA -0.402 55.708 56.048 0.102 0.000 1.237 256 H CB 1.583 31.437 29.762 0.153 0.000 1.534 256 H HN 0.312 nan 8.280 nan 0.000 0.523 257 T N 3.385 118.061 114.554 0.204 0.000 2.840 257 T HA 0.323 4.673 4.350 -0.000 0.000 0.287 257 T C 0.147 174.914 174.700 0.111 0.000 0.991 257 T CA -0.618 61.581 62.100 0.164 0.000 0.964 257 T CB 0.684 69.653 68.868 0.167 0.000 0.954 257 T HN 0.321 nan 8.240 nan 0.000 0.438 258 I N 3.251 123.863 120.570 0.070 0.000 2.331 258 I HA 0.437 4.607 4.170 -0.000 0.000 0.292 258 I C -0.386 175.720 176.117 -0.019 0.000 0.998 258 I CA -0.876 60.428 61.300 0.007 0.000 1.267 258 I CB 1.437 39.420 38.000 -0.028 0.000 1.386 258 I HN 0.243 nan 8.210 nan 0.000 0.476 259 V N 7.590 127.450 119.914 -0.089 0.000 2.350 259 V HA 0.403 4.523 4.120 -0.000 0.000 0.285 259 V C 0.158 176.186 176.094 -0.110 0.000 1.014 259 V CA -0.518 61.703 62.300 -0.132 0.000 0.831 259 V CB 1.346 32.926 31.823 -0.404 0.000 1.000 259 V HN 0.515 nan 8.190 nan 0.000 0.433 260 L N 3.263 124.452 121.223 -0.058 0.000 2.416 260 L HA 0.501 4.841 4.340 -0.000 0.000 0.262 260 L C 1.455 178.305 176.870 -0.034 0.000 1.093 260 L CA -0.753 54.060 54.840 -0.045 0.000 0.801 260 L CB 0.857 42.892 42.059 -0.039 0.000 1.191 260 L HN 0.506 nan 8.230 nan 0.000 0.459 261 N N 1.219 119.903 118.700 -0.025 0.000 2.192 261 N HA -0.187 4.553 4.740 -0.000 0.000 0.188 261 N C 0.910 176.418 175.510 -0.004 0.000 1.013 261 N CA 1.438 54.481 53.050 -0.013 0.000 0.863 261 N CB -0.254 38.227 38.487 -0.009 0.000 0.990 261 N HN 0.667 nan 8.380 nan 0.000 0.430 262 D N -0.051 120.346 120.400 -0.004 0.000 2.328 262 D HA 0.076 4.716 4.640 -0.000 0.000 0.226 262 D C 0.410 176.719 176.300 0.015 0.000 1.066 262 D CA -0.178 53.824 54.000 0.003 0.000 0.861 262 D CB -0.214 40.585 40.800 -0.002 0.000 0.912 262 D HN 0.031 nan 8.370 nan 0.000 0.521 263 A N 0.934 123.766 122.820 0.020 0.000 2.448 263 A HA 0.086 4.406 4.320 -0.000 0.000 0.239 263 A C 0.528 178.140 177.584 0.047 0.000 1.080 263 A CA -0.373 51.693 52.037 0.048 0.000 0.779 263 A CB 0.137 19.157 19.000 0.033 0.000 1.026 263 A HN 0.249 nan 8.150 nan 0.000 0.499 264 N N 2.141 120.883 118.700 0.069 0.000 2.678 264 N HA 0.151 4.891 4.740 -0.000 0.000 0.231 264 N C 0.954 176.486 175.510 0.037 0.000 1.038 264 N CA -0.193 52.889 53.050 0.054 0.000 0.932 264 N CB 0.175 38.703 38.487 0.069 0.000 1.176 264 N HN 0.658 nan 8.380 nan 0.000 0.511 265 L N 1.255 122.499 121.223 0.035 0.000 2.030 265 L HA -0.298 4.042 4.340 -0.000 0.000 0.222 265 L C 2.176 179.055 176.870 0.015 0.000 1.082 265 L CA 1.688 56.553 54.840 0.041 0.000 0.785 265 L CB -0.316 41.772 42.059 0.047 0.000 0.895 265 L HN 0.499 nan 8.230 nan 0.000 0.439 266 E N 0.512 120.720 120.200 0.014 0.000 2.021 266 E HA -0.237 4.113 4.350 -0.000 0.000 0.200 266 E C 1.792 178.397 176.600 0.008 0.000 1.015 266 E CA 1.995 58.399 56.400 0.007 0.000 0.824 266 E CB -0.230 29.477 29.700 0.013 0.000 0.762 266 E HN 0.396 nan 8.360 nan 0.000 0.454 267 D N -0.665 119.752 120.400 0.028 0.000 2.084 267 D HA -0.131 4.509 4.640 -0.000 0.000 0.194 267 D C 1.949 178.250 176.300 0.001 0.000 0.990 267 D CA 2.031 56.063 54.000 0.053 0.000 0.826 267 D CB -0.694 40.170 40.800 0.108 0.000 0.971 267 D HN 0.268 nan 8.370 nan 0.000 0.453 268 T N 1.428 115.921 114.554 -0.101 0.000 2.570 268 T HA -0.159 4.191 4.350 -0.000 0.000 0.266 268 T C 2.332 176.815 174.700 -0.362 0.000 1.071 268 T CA 1.537 63.314 62.100 -0.538 0.000 1.172 268 T CB -0.735 67.840 68.868 -0.489 0.000 0.864 268 T HN -0.042 nan 8.240 nan 0.000 0.421 269 V N 1.610 121.461 119.914 -0.105 0.000 2.250 269 V HA -0.262 3.858 4.120 -0.000 0.000 0.250 269 V C 2.814 178.889 176.094 -0.033 0.000 1.060 269 V CA 2.410 64.696 62.300 -0.023 0.000 1.030 269 V CB -1.394 30.402 31.823 -0.044 0.000 0.643 269 V HN 0.596 nan 8.190 nan 0.000 0.445 270 T N 0.086 114.627 114.554 -0.022 0.000 2.635 270 T HA -0.230 4.120 4.350 -0.000 0.000 0.267 270 T C 1.833 176.566 174.700 0.055 0.000 1.040 270 T CA 1.860 63.972 62.100 0.021 0.000 1.156 270 T CB -0.489 68.401 68.868 0.037 0.000 0.863 270 T HN 0.489 nan 8.240 nan 0.000 0.430 271 N N 0.865 119.590 118.700 0.043 0.000 2.104 271 N HA -0.048 4.691 4.740 -0.000 0.000 0.190 271 N C 1.956 177.514 175.510 0.081 0.000 1.024 271 N CA 1.211 54.326 53.050 0.109 0.000 0.853 271 N CB -0.284 38.352 38.487 0.249 0.000 1.008 271 N HN 0.393 nan 8.380 nan 0.000 0.424 272 I N 0.733 121.290 120.570 -0.021 0.000 2.353 272 I HA -0.171 3.999 4.170 -0.000 0.000 0.248 272 I C 2.145 178.264 176.117 0.004 0.000 1.119 272 I CA 0.568 61.864 61.300 -0.006 0.000 1.417 272 I CB -0.119 37.874 38.000 -0.011 0.000 1.078 272 I HN -0.098 nan 8.210 nan 0.000 0.421 273 V N 1.052 121.005 119.914 0.066 0.000 2.343 273 V HA -0.194 3.926 4.120 -0.000 0.000 0.247 273 V C 2.588 178.840 176.094 0.263 0.000 1.051 273 V CA 2.172 64.577 62.300 0.174 0.000 1.036 273 V CB -1.323 30.588 31.823 0.147 0.000 0.654 273 V HN 0.555 nan 8.190 nan 0.000 0.451 274 G N -0.503 108.453 108.800 0.260 0.000 2.408 274 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.217 274 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.217 274 G C 1.650 176.630 174.900 0.132 0.000 1.150 274 G CA 0.858 46.144 45.100 0.309 0.000 0.776 274 G HN 0.606 nan 8.290 nan 0.000 0.542 275 A N 0.351 123.209 122.820 0.064 0.000 2.119 275 A HA 0.545 4.864 4.320 -0.000 0.000 0.216 275 A C 2.447 179.975 177.584 -0.095 0.000 1.152 275 A CA 1.794 53.838 52.037 0.011 0.000 0.708 275 A CB -0.187 18.841 19.000 0.047 0.000 0.805 275 A HN 0.622 nan 8.150 nan 0.000 0.460 276 A N -1.910 120.769 122.820 -0.234 0.000 2.035 276 A HA 0.468 4.788 4.320 -0.000 0.000 0.208 276 A C 1.219 178.448 177.584 -0.592 0.000 1.206 276 A CA 0.556 52.278 52.037 -0.525 0.000 0.773 276 A CB -0.007 18.470 19.000 -0.872 0.000 0.878 276 A HN 0.392 nan 8.150 nan 0.000 0.469 277 F N 0.032 120.060 119.950 0.130 0.000 2.706 277 F HA 0.340 4.867 4.527 -0.000 0.000 0.313 277 F C 1.458 177.335 175.800 0.128 0.000 1.096 277 F CA -0.710 57.393 58.000 0.171 0.000 1.219 277 F CB -0.287 38.880 39.000 0.280 0.000 1.051 277 F HN 0.144 nan 8.300 nan 0.000 0.568 278 G N -0.449 108.428 108.800 0.128 0.000 2.483 278 G HA2 0.313 4.273 3.960 -0.000 0.000 0.248 278 G HA3 0.313 4.273 3.960 -0.000 0.000 0.248 278 G C 0.683 175.509 174.900 -0.124 0.000 1.248 278 G CA 0.041 45.065 45.100 -0.127 0.000 0.838 278 G HN 0.158 nan 8.290 nan 0.000 0.566 279 S N -0.308 115.287 115.700 -0.176 0.000 3.477 279 S HA -0.162 4.308 4.470 -0.000 0.000 0.357 279 S C 1.525 176.049 174.600 -0.127 0.000 1.083 279 S CA 1.383 59.485 58.200 -0.163 0.000 1.042 279 S CB -1.658 61.402 63.200 -0.233 0.000 0.911 279 S HN 2.632 nan 8.310 nan 0.000 0.490 280 A N -1.535 121.261 122.820 -0.041 0.000 2.826 280 A HA 0.082 4.402 4.320 -0.000 0.000 0.274 280 A C 2.187 179.737 177.584 -0.058 0.000 1.443 280 A CA 1.527 53.573 52.037 0.015 0.000 0.833 280 A CB -2.254 16.757 19.000 0.018 0.000 1.023 280 A HN 2.558 nan 8.150 nan 0.000 0.600 281 G N -1.708 107.024 108.800 -0.114 0.000 2.175 281 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.265 281 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.265 281 G C -0.058 174.511 174.900 -0.551 0.000 0.979 281 G CA 0.913 45.877 45.100 -0.227 0.000 0.663 281 G HN 1.296 nan 8.290 nan 0.000 0.533 282 E N 0.231 120.039 120.200 -0.655 0.000 2.110 282 E HA 0.449 4.799 4.350 -0.000 0.000 0.300 282 E C 0.517 176.493 176.600 -1.039 0.000 1.278 282 E CA -0.124 55.455 56.400 -1.368 0.000 1.365 282 E CB 0.326 29.731 29.700 -0.492 0.000 1.283 282 E HN 0.390 nan 8.360 nan 0.000 0.490 283 R N 0.297 120.316 120.500 -0.801 0.000 2.522 283 R HA 0.133 4.473 4.340 -0.000 0.000 0.283 283 R C 0.731 177.126 176.300 0.160 0.000 1.074 283 R CA -0.445 55.568 56.100 -0.146 0.000 0.925 283 R CB 0.758 31.009 30.300 -0.082 0.000 1.205 283 R HN 0.566 nan 8.270 nan 0.000 0.436 284 C N 2.987 122.519 119.300 0.386 0.000 2.422 284 C HA 0.066 4.526 4.460 -0.000 0.000 0.286 284 C C 1.434 176.567 174.990 0.239 0.000 1.412 284 C CA 0.130 59.351 59.018 0.339 0.000 1.786 284 C CB -0.279 27.681 27.740 0.366 0.000 1.835 284 C HN 0.637 nan 8.230 nan 0.000 0.533 285 M N 0.957 120.700 119.600 0.238 0.000 2.333 285 M HA 0.336 4.816 4.480 -0.000 0.000 0.257 285 M C 1.119 177.469 176.300 0.084 0.000 1.078 285 M CA 0.049 55.442 55.300 0.154 0.000 1.005 285 M CB -0.530 32.184 32.600 0.190 0.000 1.444 285 M HN 0.466 nan 8.290 nan 0.000 0.496 286 A N 0.625 123.473 122.820 0.047 0.000 2.445 286 A HA 0.145 4.465 4.320 -0.000 0.000 0.242 286 A C 0.228 177.796 177.584 -0.026 0.000 1.075 286 A CA -0.243 51.780 52.037 -0.023 0.000 0.777 286 A CB 0.203 19.137 19.000 -0.110 0.000 1.013 286 A HN 0.533 nan 8.150 nan 0.000 0.493 287 C N 2.587 121.858 119.300 -0.047 0.000 2.464 287 C HA 0.540 5.000 4.460 -0.000 0.000 0.370 287 C C 1.328 176.265 174.990 -0.089 0.000 1.267 287 C CA 0.129 59.124 59.018 -0.038 0.000 1.781 287 C CB -0.830 26.894 27.740 -0.027 0.000 2.431 287 C HN 0.930 nan 8.230 nan 0.000 0.556 288 A N 4.776 127.554 122.820 -0.070 0.000 2.140 288 A HA 0.477 4.797 4.320 -0.000 0.000 0.209 288 A C 0.368 177.889 177.584 -0.106 0.000 1.181 288 A CA 0.462 52.440 52.037 -0.099 0.000 0.824 288 A CB 0.255 19.186 19.000 -0.114 0.000 0.879 288 A HN 0.747 nan 8.150 nan 0.000 0.480 289 V N 0.163 119.993 119.914 -0.140 0.000 2.808 289 V HA 0.460 4.580 4.120 -0.000 0.000 0.308 289 V C -1.194 174.837 176.094 -0.105 0.000 1.099 289 V CA -0.636 61.553 62.300 -0.185 0.000 0.920 289 V CB 1.954 33.440 31.823 -0.562 0.000 1.014 289 V HN -0.019 nan 8.190 nan 0.000 0.425 290 V N 2.859 122.761 119.914 -0.020 0.000 2.487 290 V HA 0.583 4.703 4.120 -0.000 0.000 0.298 290 V C 0.115 176.213 176.094 0.007 0.000 1.028 290 V CA -0.442 61.857 62.300 -0.001 0.000 0.860 290 V CB 2.251 34.085 31.823 0.019 0.000 0.991 290 V HN 1.031 nan 8.190 nan 0.000 0.427 291 T N 2.084 116.646 114.554 0.014 0.000 2.821 291 T HA 0.688 5.038 4.350 -0.000 0.000 0.307 291 T C -0.541 174.131 174.700 -0.046 0.000 1.034 291 T CA -0.583 61.537 62.100 0.034 0.000 0.953 291 T CB 0.915 69.855 68.868 0.120 0.000 0.968 291 T HN 0.271 nan 8.240 nan 0.000 0.462 292 V N 2.906 122.770 119.914 -0.082 0.000 2.539 292 V HA 0.418 4.538 4.120 -0.000 0.000 0.292 292 V C 0.651 176.708 176.094 -0.061 0.000 1.045 292 V CA -1.042 61.166 62.300 -0.153 0.000 0.945 292 V CB 1.425 33.127 31.823 -0.203 0.000 0.993 292 V HN 0.934 nan 8.190 nan 0.000 0.464 293 E N 2.311 122.473 120.200 -0.064 0.000 2.338 293 E HA 0.091 4.441 4.350 -0.000 0.000 0.272 293 E C 0.737 177.331 176.600 -0.010 0.000 1.029 293 E CA -0.400 55.984 56.400 -0.027 0.000 0.872 293 E CB 0.747 30.429 29.700 -0.030 0.000 1.015 293 E HN 0.645 nan 8.360 nan 0.000 0.417 294 E N 3.197 123.399 120.200 0.003 0.000 2.086 294 E HA -0.255 4.094 4.350 -0.000 0.000 0.205 294 E C 1.750 178.360 176.600 0.016 0.000 1.027 294 E CA 1.600 58.008 56.400 0.013 0.000 0.830 294 E CB -0.605 29.102 29.700 0.011 0.000 0.751 294 E HN 0.878 nan 8.360 nan 0.000 0.456 295 G N 1.165 109.970 108.800 0.008 0.000 2.574 295 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.220 295 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.220 295 G C 1.654 176.566 174.900 0.020 0.000 1.173 295 G CA 1.046 46.152 45.100 0.010 0.000 0.772 295 G HN 0.393 nan 8.290 nan 0.000 0.585 296 I N 0.700 121.283 120.570 0.021 0.000 3.883 296 I HA 0.347 4.517 4.170 -0.000 0.000 0.326 296 I C 2.713 178.883 176.117 0.088 0.000 1.283 296 I CA 0.718 62.044 61.300 0.043 0.000 1.161 296 I CB 0.048 38.064 38.000 0.027 0.000 1.012 296 I HN 0.224 nan 8.210 nan 0.000 0.421 297 A N 1.117 123.982 122.820 0.075 0.000 1.859 297 A HA -0.304 4.016 4.320 -0.000 0.000 0.218 297 A C 1.934 179.615 177.584 0.162 0.000 1.209 297 A CA 2.489 54.602 52.037 0.126 0.000 0.639 297 A CB -0.846 18.204 19.000 0.082 0.000 0.835 297 A HN 0.468 nan 8.150 nan 0.000 0.450 298 D N -1.040 119.416 120.400 0.093 0.000 2.104 298 D HA -0.187 4.453 4.640 -0.000 0.000 0.194 298 D C 1.923 178.255 176.300 0.054 0.000 0.994 298 D CA 1.670 55.708 54.000 0.063 0.000 0.830 298 D CB -0.447 40.375 40.800 0.036 0.000 0.959 298 D HN 0.746 nan 8.370 nan 0.000 0.452 299 E N -0.468 119.770 120.200 0.064 0.000 2.110 299 E HA -0.181 4.169 4.350 -0.000 0.000 0.193 299 E C 2.023 178.657 176.600 0.057 0.000 0.988 299 E CA 0.477 56.905 56.400 0.047 0.000 0.804 299 E CB -0.124 29.606 29.700 0.050 0.000 0.745 299 E HN 0.179 nan 8.360 nan 0.000 0.458 300 F N 1.019 120.957 119.950 -0.021 0.000 2.051 300 F HA -0.237 4.290 4.527 -0.000 0.000 0.296 300 F C 2.128 177.913 175.800 -0.025 0.000 1.122 300 F CA 1.484 59.466 58.000 -0.030 0.000 1.201 300 F CB -0.361 38.620 39.000 -0.031 0.000 0.978 300 F HN 0.012 nan 8.300 nan 0.000 0.472 301 M N 0.885 120.343 119.600 -0.237 0.000 2.108 301 M HA -0.240 4.240 4.480 -0.000 0.000 0.257 301 M C 2.477 178.617 176.300 -0.268 0.000 1.071 301 M CA 1.845 56.961 55.300 -0.306 0.000 1.093 301 M CB -2.127 30.447 32.600 -0.043 0.000 1.345 301 M HN 0.418 nan 8.290 nan 0.000 0.403 302 A N -0.193 122.529 122.820 -0.163 0.000 1.877 302 A HA -0.208 4.112 4.320 -0.000 0.000 0.216 302 A C 2.275 179.764 177.584 -0.160 0.000 1.186 302 A CA 2.145 54.107 52.037 -0.126 0.000 0.620 302 A CB -0.555 18.402 19.000 -0.072 0.000 0.822 302 A HN 0.384 nan 8.150 nan 0.000 0.443 303 K N -0.370 119.918 120.400 -0.187 0.000 2.057 303 K HA -0.085 4.235 4.320 -0.000 0.000 0.207 303 K C 1.757 178.214 176.600 -0.238 0.000 1.049 303 K CA 1.446 57.627 56.287 -0.177 0.000 0.931 303 K CB -0.581 31.837 32.500 -0.137 0.000 0.714 303 K HN 0.316 nan 8.250 nan 0.000 0.440 304 L N 0.892 121.869 121.223 -0.410 0.000 2.042 304 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 304 L C 2.004 178.739 176.870 -0.226 0.000 1.076 304 L CA 1.761 56.366 54.840 -0.392 0.000 0.749 304 L CB -0.612 41.041 42.059 -0.676 0.000 0.893 304 L HN 0.272 nan 8.230 nan 0.000 0.432 305 Q N 0.031 119.705 119.800 -0.210 0.000 2.030 305 Q HA -0.237 4.103 4.340 -0.000 0.000 0.204 305 Q C 2.117 178.033 176.000 -0.140 0.000 0.986 305 Q CA 2.126 57.838 55.803 -0.152 0.000 0.843 305 Q CB -0.423 28.238 28.738 -0.129 0.000 0.904 305 Q HN 0.678 nan 8.270 nan 0.000 0.420 306 E N 0.865 120.986 120.200 -0.132 0.000 2.035 306 E HA -0.218 4.132 4.350 -0.000 0.000 0.204 306 E C 2.082 178.605 176.600 -0.127 0.000 1.025 306 E CA 1.404 57.735 56.400 -0.115 0.000 0.835 306 E CB -0.119 29.521 29.700 -0.100 0.000 0.764 306 E HN 0.286 nan 8.360 nan 0.000 0.457 307 K N 0.389 120.709 120.400 -0.134 0.000 2.097 307 K HA -0.099 4.221 4.320 -0.000 0.000 0.206 307 K C 2.183 178.666 176.600 -0.196 0.000 1.049 307 K CA 0.873 57.069 56.287 -0.151 0.000 0.933 307 K CB -0.060 32.362 32.500 -0.130 0.000 0.717 307 K HN -0.031 nan 8.250 nan 0.000 0.442 308 V N 1.354 121.159 119.914 -0.182 0.000 2.407 308 V HA -0.261 3.859 4.120 -0.000 0.000 0.248 308 V C 2.261 178.204 176.094 -0.252 0.000 1.055 308 V CA 2.063 64.216 62.300 -0.244 0.000 1.049 308 V CB -0.591 31.099 31.823 -0.222 0.000 0.662 308 V HN 0.369 nan 8.190 nan 0.000 0.455 309 A N -0.442 122.264 122.820 -0.190 0.000 2.067 309 A HA -0.196 4.124 4.320 -0.000 0.000 0.219 309 A C 1.747 179.238 177.584 -0.154 0.000 1.158 309 A CA 1.759 53.700 52.037 -0.160 0.000 0.661 309 A CB -0.441 18.484 19.000 -0.126 0.000 0.801 309 A HN 0.539 nan 8.150 nan 0.000 0.452 310 D N -0.454 119.846 120.400 -0.168 0.000 2.340 310 D HA 0.152 4.792 4.640 -0.000 0.000 0.220 310 D C 0.270 176.458 176.300 -0.187 0.000 1.039 310 D CA 0.065 53.973 54.000 -0.153 0.000 0.866 310 D CB -0.115 40.602 40.800 -0.139 0.000 0.913 310 D HN 0.440 nan 8.370 nan 0.000 0.523 311 I N 1.513 121.934 120.570 -0.249 0.000 2.533 311 I HA -0.030 4.140 4.170 -0.000 0.000 0.284 311 I C 0.599 176.651 176.117 -0.108 0.000 1.109 311 I CA 0.203 61.340 61.300 -0.273 0.000 1.412 311 I CB 0.479 38.277 38.000 -0.337 0.000 1.396 311 I HN -0.369 nan 8.210 nan 0.000 0.543 312 K N 7.556 127.947 120.400 -0.015 0.000 2.211 312 K HA 0.544 4.864 4.320 -0.000 0.000 0.275 312 K C -0.634 175.997 176.600 0.052 0.000 1.024 312 K CA -0.441 55.851 56.287 0.008 0.000 0.887 312 K CB 1.453 33.965 32.500 0.020 0.000 1.084 312 K HN 0.472 nan 8.250 nan 0.000 0.463 313 I N 1.885 122.443 120.570 -0.020 0.000 2.428 313 I HA 0.512 4.682 4.170 -0.000 0.000 0.296 313 I C 0.714 176.733 176.117 -0.165 0.000 0.985 313 I CA -0.134 61.140 61.300 -0.044 0.000 1.260 313 I CB 1.681 39.623 38.000 -0.096 0.000 1.389 313 I HN 0.843 nan 8.210 nan 0.000 0.484 314 G N 4.652 113.368 108.800 -0.139 0.000 2.336 314 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.286 314 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.286 314 G C -1.581 173.404 174.900 0.141 0.000 1.269 314 G CA -0.786 44.192 45.100 -0.203 0.000 0.873 314 G HN 0.527 nan 8.290 nan 0.000 0.494 315 N N 0.871 119.647 118.700 0.126 0.000 2.483 315 N HA 0.236 4.976 4.740 -0.000 0.000 0.264 315 N C 1.702 177.274 175.510 0.104 0.000 1.197 315 N CA 0.928 54.081 53.050 0.173 0.000 0.927 315 N CB 1.291 39.840 38.487 0.104 0.000 1.065 315 N HN 0.893 nan 8.380 nan 0.000 0.461 316 G N 3.989 112.841 108.800 0.087 0.000 2.475 316 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.220 316 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.220 316 G C 1.390 176.304 174.900 0.024 0.000 1.125 316 G CA 0.427 45.550 45.100 0.038 0.000 0.755 316 G HN 0.574 nan 8.290 nan 0.000 0.565 317 L N 0.666 121.904 121.223 0.025 0.000 2.217 317 L HA 0.111 4.451 4.340 -0.000 0.000 0.211 317 L C 0.334 177.231 176.870 0.045 0.000 1.107 317 L CA 0.594 55.457 54.840 0.038 0.000 0.783 317 L CB -1.096 40.994 42.059 0.052 0.000 0.919 317 L HN 0.123 nan 8.230 nan 0.000 0.442 318 D N 1.317 121.742 120.400 0.041 0.000 2.389 318 D HA 0.133 4.773 4.640 -0.000 0.000 0.247 318 D C 0.056 176.376 176.300 0.033 0.000 1.128 318 D CA -0.200 53.820 54.000 0.033 0.000 0.884 318 D CB 0.869 41.684 40.800 0.024 0.000 1.194 318 D HN 0.171 nan 8.370 nan 0.000 0.441 319 D N -0.286 120.132 120.400 0.030 0.000 2.341 319 D HA 0.400 5.040 4.640 -0.000 0.000 0.245 319 D C 1.393 177.713 176.300 0.032 0.000 1.106 319 D CA -0.516 53.503 54.000 0.032 0.000 0.905 319 D CB 0.983 41.800 40.800 0.028 0.000 1.202 319 D HN 0.510 nan 8.370 nan 0.000 0.426 320 G N 0.296 109.123 108.800 0.044 0.000 2.268 320 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.240 320 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.240 320 G C 0.188 175.132 174.900 0.074 0.000 1.010 320 G CA 0.088 45.218 45.100 0.050 0.000 0.618 320 G HN 0.670 nan 8.290 nan 0.000 0.516 321 V N 2.012 121.967 119.914 0.068 0.000 2.479 321 V HA 0.456 4.576 4.120 -0.000 0.000 0.281 321 V C 1.146 177.320 176.094 0.134 0.000 1.031 321 V CA 0.941 63.294 62.300 0.087 0.000 1.038 321 V CB 1.038 32.897 31.823 0.060 0.000 0.981 321 V HN 0.395 nan 8.190 nan 0.000 0.478 322 F N 5.564 125.526 119.950 0.020 0.000 2.399 322 F HA 0.382 4.909 4.527 -0.000 0.000 0.282 322 F C 0.608 176.440 175.800 0.053 0.000 1.027 322 F CA 0.299 58.319 58.000 0.033 0.000 1.333 322 F CB 0.494 39.509 39.000 0.025 0.000 1.132 322 F HN 0.364 nan 8.300 nan 0.000 0.590 323 L N 1.526 122.927 121.223 0.296 0.000 2.282 323 L HA 0.641 4.981 4.340 -0.000 0.000 0.288 323 L C 0.194 177.179 176.870 0.191 0.000 1.033 323 L CA -0.296 54.669 54.840 0.209 0.000 0.807 323 L CB 0.772 43.015 42.059 0.307 0.000 1.209 323 L HN 0.211 nan 8.230 nan 0.000 0.423 324 G N 4.842 113.731 108.800 0.149 0.000 2.583 324 G HA2 0.636 4.596 3.960 -0.000 0.000 0.280 324 G HA3 0.636 4.596 3.960 -0.000 0.000 0.280 324 G C -2.786 172.236 174.900 0.204 0.000 1.376 324 G CA -0.996 44.236 45.100 0.220 0.000 1.043 324 G HN 0.568 nan 8.290 nan 0.000 0.538 325 P HA 0.338 nan 4.420 nan 0.000 0.280 325 P C 0.173 177.403 177.300 -0.116 0.000 1.272 325 P CA -0.318 62.564 63.100 -0.363 0.000 0.819 325 P CB 1.574 32.717 31.700 -0.928 0.000 1.122 326 V N -0.771 119.103 119.914 -0.066 0.000 3.083 326 V HA 0.109 4.229 4.120 -0.000 0.000 0.306 326 V C 1.899 177.941 176.094 -0.086 0.000 1.077 326 V CA -0.310 61.977 62.300 -0.021 0.000 1.073 326 V CB -0.333 31.498 31.823 0.014 0.000 1.081 326 V HN 0.432 nan 8.190 nan 0.000 0.474 327 I N 0.312 120.774 120.570 -0.181 0.000 2.163 327 I HA -0.023 4.147 4.170 -0.000 0.000 0.243 327 I C 1.337 177.200 176.117 -0.424 0.000 1.085 327 I CA 1.626 62.703 61.300 -0.372 0.000 1.347 327 I CB -0.330 37.070 38.000 -1.000 0.000 1.044 327 I HN 0.789 nan 8.210 nan 0.000 0.408 328 R N -1.041 119.144 120.500 -0.524 0.000 2.846 328 R HA 0.213 4.553 4.340 -0.000 0.000 0.263 328 R C 0.960 176.746 176.300 -0.855 0.000 1.080 328 R CA -0.510 55.086 56.100 -0.841 0.000 0.961 328 R CB 0.356 30.330 30.300 -0.544 0.000 1.231 328 R HN -0.171 nan 8.270 nan 0.000 0.465 329 E N 1.017 120.632 120.200 -0.976 0.000 2.058 329 E HA -0.179 4.171 4.350 -0.000 0.000 0.194 329 E C 0.683 177.182 176.600 -0.167 0.000 0.997 329 E CA 2.034 58.203 56.400 -0.386 0.000 0.801 329 E CB -0.014 29.588 29.700 -0.164 0.000 0.746 329 E HN 0.449 nan 8.360 nan 0.000 0.450 330 D N -0.064 120.234 120.400 -0.170 0.000 2.133 330 D HA -0.167 4.473 4.640 -0.000 0.000 0.195 330 D C 1.634 177.910 176.300 -0.041 0.000 0.997 330 D CA 1.481 55.433 54.000 -0.080 0.000 0.840 330 D CB -0.549 40.206 40.800 -0.076 0.000 0.947 330 D HN 0.264 nan 8.370 nan 0.000 0.452 331 N N 0.668 119.322 118.700 -0.077 0.000 2.166 331 N HA -0.130 4.610 4.740 -0.000 0.000 0.186 331 N C 1.610 177.147 175.510 0.044 0.000 1.019 331 N CA 0.773 53.823 53.050 -0.000 0.000 0.856 331 N CB -0.115 38.348 38.487 -0.041 0.000 0.993 331 N HN 0.222 nan 8.380 nan 0.000 0.426 332 K N 1.305 121.714 120.400 0.014 0.000 2.025 332 K HA -0.075 4.245 4.320 -0.000 0.000 0.207 332 K C 1.462 178.115 176.600 0.088 0.000 1.049 332 K CA 1.194 57.526 56.287 0.075 0.000 0.933 332 K CB 0.072 32.637 32.500 0.108 0.000 0.714 332 K HN 0.086 nan 8.250 nan 0.000 0.438 333 K N 0.279 120.716 120.400 0.061 0.000 2.057 333 K HA -0.150 4.170 4.320 -0.000 0.000 0.206 333 K C 2.362 179.004 176.600 0.071 0.000 1.050 333 K CA 1.243 57.565 56.287 0.059 0.000 0.935 333 K CB -0.158 32.362 32.500 0.033 0.000 0.715 333 K HN 0.138 nan 8.250 nan 0.000 0.439 334 R N 0.792 121.342 120.500 0.083 0.000 2.096 334 R HA -0.119 4.221 4.340 -0.000 0.000 0.235 334 R C 1.863 178.306 176.300 0.239 0.000 1.127 334 R CA 1.775 57.946 56.100 0.118 0.000 0.968 334 R CB -0.166 30.232 30.300 0.163 0.000 0.861 334 R HN 0.121 nan 8.270 nan 0.000 0.440 335 T N 1.369 116.070 114.554 0.245 0.000 2.737 335 T HA -0.095 4.255 4.350 -0.000 0.000 0.265 335 T C 1.654 176.505 174.700 0.251 0.000 1.038 335 T CA 0.920 63.192 62.100 0.287 0.000 1.144 335 T CB -0.115 68.875 68.868 0.203 0.000 0.866 335 T HN 0.058 nan 8.240 nan 0.000 0.434 336 L N 1.310 122.637 121.223 0.173 0.000 2.042 336 L HA -0.049 4.291 4.340 -0.000 0.000 0.210 336 L C 2.753 179.703 176.870 0.134 0.000 1.076 336 L CA 1.466 56.394 54.840 0.145 0.000 0.749 336 L CB -1.183 40.939 42.059 0.105 0.000 0.893 336 L HN 0.240 nan 8.230 nan 0.000 0.432 337 S N -1.858 113.896 115.700 0.091 0.000 2.382 337 S HA -0.220 4.250 4.470 -0.000 0.000 0.228 337 S C 2.143 176.745 174.600 0.003 0.000 1.027 337 S CA 1.016 59.224 58.200 0.013 0.000 0.991 337 S CB -0.327 62.831 63.200 -0.070 0.000 0.823 337 S HN 0.462 nan 8.310 nan 0.000 0.469 338 Y N 1.355 121.705 120.300 0.082 0.000 2.200 338 Y HA 0.015 4.565 4.550 -0.000 0.000 0.290 338 Y C 2.202 178.156 175.900 0.089 0.000 1.137 338 Y CA 1.554 59.694 58.100 0.066 0.000 1.163 338 Y CB -0.187 38.313 38.460 0.066 0.000 0.988 338 Y HN 0.260 nan 8.280 nan 0.000 0.518 339 I N -0.324 120.451 120.570 0.342 0.000 2.208 339 I HA -0.305 3.865 4.170 -0.000 0.000 0.245 339 I C 2.173 178.502 176.117 0.354 0.000 1.097 339 I CA 1.388 62.955 61.300 0.446 0.000 1.363 339 I CB -0.309 37.901 38.000 0.349 0.000 1.051 339 I HN 0.203 nan 8.210 nan 0.000 0.413 340 E N 1.296 121.619 120.200 0.205 0.000 2.031 340 E HA -0.212 4.138 4.350 -0.000 0.000 0.193 340 E C 2.130 178.804 176.600 0.124 0.000 0.994 340 E CA 1.445 57.930 56.400 0.142 0.000 0.800 340 E CB -0.064 29.685 29.700 0.081 0.000 0.752 340 E HN 0.275 nan 8.360 nan 0.000 0.447 341 K N -0.704 119.746 120.400 0.083 0.000 2.152 341 K HA -0.112 4.208 4.320 -0.000 0.000 0.206 341 K C 2.064 178.698 176.600 0.057 0.000 1.048 341 K CA 1.076 57.395 56.287 0.052 0.000 0.933 341 K CB -0.364 32.144 32.500 0.014 0.000 0.721 341 K HN 0.236 nan 8.250 nan 0.000 0.447 342 G N 1.482 110.302 108.800 0.033 0.000 2.480 342 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.216 342 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.216 342 G C 1.456 176.469 174.900 0.188 0.000 1.200 342 G CA 0.695 45.716 45.100 -0.132 0.000 0.782 342 G HN 0.108 nan 8.290 nan 0.000 0.554 343 L N 0.298 121.739 121.223 0.364 0.000 2.042 343 L HA -0.107 4.233 4.340 -0.000 0.000 0.210 343 L C 2.777 179.740 176.870 0.156 0.000 1.076 343 L CA 1.627 56.631 54.840 0.275 0.000 0.749 343 L CB -0.416 41.770 42.059 0.213 0.000 0.893 343 L HN 0.359 nan 8.230 nan 0.000 0.432 344 E N 0.407 120.680 120.200 0.121 0.000 2.265 344 E HA -0.230 4.120 4.350 -0.000 0.000 0.196 344 E C 1.469 178.110 176.600 0.069 0.000 0.996 344 E CA 1.084 57.532 56.400 0.080 0.000 0.832 344 E CB 0.162 29.900 29.700 0.063 0.000 0.756 344 E HN 0.578 nan 8.360 nan 0.000 0.491 345 E N -1.576 118.668 120.200 0.074 0.000 2.474 345 E HA 0.120 4.470 4.350 -0.000 0.000 0.195 345 E C 0.846 177.485 176.600 0.065 0.000 1.039 345 E CA 0.340 56.775 56.400 0.059 0.000 0.881 345 E CB 0.990 30.719 29.700 0.049 0.000 0.970 345 E HN 0.395 nan 8.360 nan 0.000 0.486 346 G N 1.171 110.023 108.800 0.087 0.000 2.192 346 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.193 346 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.193 346 G C 0.348 175.320 174.900 0.120 0.000 0.999 346 G CA -0.180 44.972 45.100 0.087 0.000 0.659 346 G HN 0.394 nan 8.290 nan 0.000 0.503 347 A N 0.349 123.272 122.820 0.172 0.000 2.388 347 A HA 0.701 5.021 4.320 -0.000 0.000 0.257 347 A C 0.659 178.436 177.584 0.321 0.000 1.095 347 A CA 0.400 52.602 52.037 0.276 0.000 0.791 347 A CB 0.318 19.525 19.000 0.345 0.000 1.029 347 A HN 0.740 nan 8.150 nan 0.000 0.489 348 R N 3.121 123.764 120.500 0.238 0.000 2.202 348 R HA 0.325 4.665 4.340 -0.000 0.000 0.334 348 R C -0.858 175.440 176.300 -0.004 0.000 1.036 348 R CA -0.402 55.766 56.100 0.113 0.000 0.878 348 R CB 0.256 30.598 30.300 0.070 0.000 1.067 348 R HN 0.768 nan 8.270 nan 0.000 0.457 349 L N 6.767 127.898 121.223 -0.155 0.000 2.536 349 L HA 0.046 4.386 4.340 -0.000 0.000 0.282 349 L C 0.633 177.356 176.870 -0.245 0.000 1.174 349 L CA -0.237 54.335 54.840 -0.447 0.000 0.989 349 L CB 0.866 42.689 42.059 -0.394 0.000 1.311 349 L HN 0.714 nan 8.230 nan 0.000 0.455 350 V N 2.920 122.713 119.914 -0.202 0.000 2.871 350 V HA -0.107 4.013 4.120 -0.000 0.000 0.256 350 V C 0.689 176.708 176.094 -0.124 0.000 1.082 350 V CA 0.621 62.853 62.300 -0.113 0.000 1.105 350 V CB 0.329 32.118 31.823 -0.057 0.000 0.713 350 V HN 0.839 nan 8.190 nan 0.000 0.473 351 C N 0.722 119.922 119.300 -0.166 0.000 2.620 351 C HA 0.396 4.856 4.460 -0.000 0.000 0.356 351 C C -1.058 173.834 174.990 -0.164 0.000 1.082 351 C CA -1.113 57.819 59.018 -0.143 0.000 1.293 351 C CB 0.314 27.981 27.740 -0.121 0.000 1.836 351 C HN 0.429 nan 8.230 nan 0.000 0.453 352 D N 2.812 123.131 120.400 -0.135 0.000 2.313 352 D HA 0.372 5.012 4.640 -0.000 0.000 0.239 352 D C 0.921 177.180 176.300 -0.067 0.000 1.142 352 D CA 0.212 54.149 54.000 -0.106 0.000 0.847 352 D CB 1.764 42.514 40.800 -0.083 0.000 1.082 352 D HN 0.867 nan 8.370 nan 0.000 0.480 353 G N 3.243 112.022 108.800 -0.034 0.000 3.284 353 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.236 353 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.236 353 G C 1.246 176.160 174.900 0.024 0.000 1.158 353 G CA -0.188 44.904 45.100 -0.012 0.000 0.774 353 G HN 0.428 nan 8.290 nan 0.000 0.545 354 R N 0.316 120.830 120.500 0.024 0.000 2.276 354 R HA 0.120 4.460 4.340 -0.000 0.000 0.196 354 R C 0.858 177.172 176.300 0.023 0.000 0.961 354 R CA 0.256 56.381 56.100 0.041 0.000 1.024 354 R CB 0.208 30.536 30.300 0.047 0.000 0.940 354 R HN 0.606 nan 8.270 nan 0.000 0.480 355 E N 0.705 120.905 120.200 0.001 0.000 2.250 355 E HA 0.137 4.486 4.350 -0.000 0.000 0.265 355 E C -0.815 175.773 176.600 -0.020 0.000 1.033 355 E CA -0.741 55.652 56.400 -0.010 0.000 0.888 355 E CB 0.533 30.219 29.700 -0.023 0.000 1.151 355 E HN 0.043 nan 8.360 nan 0.000 0.412 356 N N -0.500 118.185 118.700 -0.025 0.000 2.699 356 N HA -0.163 4.577 4.740 -0.000 0.000 0.256 356 N C -1.357 174.126 175.510 -0.044 0.000 0.993 356 N CA 0.188 53.215 53.050 -0.039 0.000 0.759 356 N CB -0.741 37.715 38.487 -0.052 0.000 0.906 356 N HN 0.246 nan 8.380 nan 0.000 0.541 357 V N 0.695 120.596 119.914 -0.023 0.000 2.444 357 V HA 0.280 4.400 4.120 -0.000 0.000 0.294 357 V C 0.567 176.653 176.094 -0.013 0.000 1.022 357 V CA -0.598 61.697 62.300 -0.009 0.000 0.850 357 V CB 1.797 33.655 31.823 0.059 0.000 0.992 357 V HN 0.368 nan 8.190 nan 0.000 0.426 358 S N 2.673 118.316 115.700 -0.094 0.000 2.580 358 S HA 0.019 4.489 4.470 -0.000 0.000 0.261 358 S C 0.675 175.318 174.600 0.071 0.000 1.366 358 S CA 0.609 58.761 58.200 -0.081 0.000 0.996 358 S CB 0.623 63.666 63.200 -0.261 0.000 0.902 358 S HN 0.960 nan 8.310 nan 0.000 0.566 359 D N -0.864 119.573 120.400 0.061 0.000 2.503 359 D HA 0.249 4.889 4.640 -0.000 0.000 0.218 359 D C 0.410 176.737 176.300 0.045 0.000 1.183 359 D CA -0.151 53.891 54.000 0.070 0.000 0.827 359 D CB 0.113 40.930 40.800 0.028 0.000 1.034 359 D HN 0.438 nan 8.370 nan 0.000 0.510 360 D N -0.175 120.282 120.400 0.095 0.000 2.178 360 D HA 0.078 4.718 4.640 -0.000 0.000 0.202 360 D C 1.153 177.448 176.300 -0.007 0.000 0.974 360 D CA 0.944 54.981 54.000 0.061 0.000 0.841 360 D CB 0.181 41.039 40.800 0.098 0.000 0.953 360 D HN 0.314 nan 8.370 nan 0.000 0.478 361 G N -1.429 107.410 108.800 0.065 0.000 3.086 361 G HA2 0.392 4.352 3.960 -0.000 0.000 0.282 361 G HA3 0.392 4.352 3.960 -0.000 0.000 0.282 361 G C -1.337 173.197 174.900 -0.609 0.000 1.343 361 G CA -0.822 43.991 45.100 -0.477 0.000 0.895 361 G HN 0.009 nan 8.290 nan 0.000 0.557 362 Y N 0.600 120.655 120.300 -0.408 0.000 2.735 362 Y HA 0.412 4.962 4.550 -0.000 0.000 0.354 362 Y C -0.276 175.435 175.900 -0.316 0.000 1.288 362 Y CA -0.562 57.388 58.100 -0.251 0.000 1.836 362 Y CB -0.494 37.848 38.460 -0.198 0.000 1.920 362 Y HN 0.091 nan 8.280 nan 0.000 0.438 363 F N 0.387 120.376 119.950 0.066 0.000 2.375 363 F HA 0.540 5.067 4.527 -0.000 0.000 0.333 363 F C 0.089 175.926 175.800 0.063 0.000 1.104 363 F CA -1.072 56.960 58.000 0.053 0.000 1.149 363 F CB 1.202 40.209 39.000 0.013 0.000 1.190 363 F HN -0.178 nan 8.300 nan 0.000 0.533 364 V N 2.371 122.445 119.914 0.266 0.000 2.610 364 V HA 0.403 4.523 4.120 -0.000 0.000 0.288 364 V C 0.256 176.436 176.094 0.143 0.000 1.055 364 V CA -1.081 61.323 62.300 0.173 0.000 0.902 364 V CB 1.251 33.163 31.823 0.149 0.000 1.030 364 V HN 0.984 nan 8.190 nan 0.000 0.448 365 G N 5.406 114.258 108.800 0.087 0.000 2.732 365 G HA2 0.357 4.317 3.960 -0.000 0.000 0.244 365 G HA3 0.357 4.317 3.960 -0.000 0.000 0.244 365 G C -2.257 172.624 174.900 -0.030 0.000 1.226 365 G CA -0.764 44.346 45.100 0.016 0.000 0.860 365 G HN 0.525 nan 8.290 nan 0.000 0.583 366 P HA 0.131 nan 4.420 nan 0.000 0.267 366 P C -0.395 176.764 177.300 -0.235 0.000 1.209 366 P CA 0.296 63.145 63.100 -0.419 0.000 0.763 366 P CB 0.806 31.890 31.700 -1.028 0.000 0.816 367 T N 4.840 119.398 114.554 0.005 0.000 2.829 367 T HA 0.677 5.027 4.350 -0.000 0.000 0.280 367 T C 0.168 174.991 174.700 0.204 0.000 0.999 367 T CA -0.503 61.639 62.100 0.069 0.000 0.983 367 T CB 0.904 69.861 68.868 0.148 0.000 0.968 367 T HN 0.430 nan 8.240 nan 0.000 0.446 368 I N -0.007 120.606 120.570 0.072 0.000 2.534 368 I HA 0.735 4.905 4.170 -0.000 0.000 0.288 368 I C -1.728 174.400 176.117 0.018 0.000 1.077 368 I CA -1.021 60.376 61.300 0.162 0.000 1.051 368 I CB 1.393 39.492 38.000 0.165 0.000 1.234 368 I HN 0.405 nan 8.210 nan 0.000 0.425 369 F N 4.064 124.080 119.950 0.109 0.000 2.440 369 F HA 0.629 5.156 4.527 -0.000 0.000 0.328 369 F C 0.239 176.093 175.800 0.089 0.000 1.070 369 F CA 0.109 58.165 58.000 0.093 0.000 1.011 369 F CB 1.448 40.510 39.000 0.102 0.000 1.226 369 F HN 0.561 nan 8.300 nan 0.000 0.491 370 D N -0.335 120.227 120.400 0.269 0.000 2.531 370 D HA 0.267 4.907 4.640 -0.000 0.000 0.244 370 D C -0.773 175.629 176.300 0.170 0.000 1.090 370 D CA -0.620 53.487 54.000 0.178 0.000 0.989 370 D CB 1.296 42.160 40.800 0.107 0.000 1.433 370 D HN 0.499 nan 8.370 nan 0.000 0.492 371 N N -0.572 118.200 118.700 0.119 0.000 2.710 371 N HA -0.185 4.555 4.740 -0.000 0.000 0.249 371 N C -0.001 175.563 175.510 0.090 0.000 1.059 371 N CA 1.120 54.224 53.050 0.090 0.000 0.720 371 N CB -1.308 37.226 38.487 0.079 0.000 0.983 371 N HN 0.301 nan 8.380 nan 0.000 0.544 372 V N -2.806 117.169 119.914 0.102 0.000 2.953 372 V HA 0.828 4.948 4.120 -0.000 0.000 0.304 372 V C 0.931 177.024 176.094 -0.002 0.000 1.073 372 V CA 0.105 62.452 62.300 0.079 0.000 1.064 372 V CB 1.834 33.729 31.823 0.121 0.000 1.047 372 V HN 0.337 nan 8.190 nan 0.000 0.478 373 T N -1.233 113.288 114.554 -0.055 0.000 2.887 373 T HA 0.386 4.736 4.350 -0.000 0.000 0.292 373 T C 0.653 175.126 174.700 -0.378 0.000 1.087 373 T CA 0.139 62.128 62.100 -0.184 0.000 1.009 373 T CB 1.227 70.026 68.868 -0.115 0.000 1.203 373 T HN 0.690 nan 8.240 nan 0.000 0.518 374 T N 0.710 114.884 114.554 -0.633 0.000 3.025 374 T HA -0.016 4.334 4.350 -0.000 0.000 0.270 374 T C 1.245 175.721 174.700 -0.373 0.000 1.126 374 T CA 1.312 62.782 62.100 -1.051 0.000 1.105 374 T CB -0.251 68.062 68.868 -0.923 0.000 0.884 374 T HN 0.723 nan 8.240 nan 0.000 0.522 375 E N 0.093 120.192 120.200 -0.168 0.000 2.474 375 E HA 0.187 4.537 4.350 -0.000 0.000 0.194 375 E C 0.281 176.916 176.600 0.058 0.000 1.041 375 E CA 0.071 56.457 56.400 -0.022 0.000 0.874 375 E CB 0.132 29.816 29.700 -0.027 0.000 0.914 375 E HN 0.510 nan 8.360 nan 0.000 0.498 376 M N 0.422 120.069 119.600 0.078 0.000 2.249 376 M HA 0.103 4.583 4.480 -0.000 0.000 0.351 376 M C 1.197 177.625 176.300 0.213 0.000 1.180 376 M CA -0.015 55.359 55.300 0.123 0.000 1.127 376 M CB 1.355 34.006 32.600 0.085 0.000 1.546 376 M HN -0.148 nan 8.290 nan 0.000 0.461 377 T N 2.419 117.073 114.554 0.167 0.000 2.788 377 T HA -0.099 4.251 4.350 -0.000 0.000 0.268 377 T C 1.560 176.393 174.700 0.222 0.000 1.044 377 T CA 1.529 63.753 62.100 0.207 0.000 1.139 377 T CB -0.429 68.549 68.868 0.182 0.000 0.867 377 T HN 0.749 nan 8.240 nan 0.000 0.454 378 I N -1.979 118.674 120.570 0.139 0.000 2.850 378 I HA -0.031 4.139 4.170 -0.000 0.000 0.266 378 I C 2.161 178.315 176.117 0.061 0.000 1.257 378 I CA 1.098 62.410 61.300 0.021 0.000 1.465 378 I CB -0.376 37.498 38.000 -0.211 0.000 1.091 378 I HN 0.273 nan 8.210 nan 0.000 0.467 379 W N 2.133 123.430 121.300 -0.006 0.000 2.735 379 W HA 0.170 4.830 4.660 -0.000 0.000 0.264 379 W C 2.080 178.660 176.519 0.101 0.000 1.233 379 W CA 0.184 57.547 57.345 0.029 0.000 1.408 379 W CB 0.340 29.824 29.460 0.039 0.000 1.038 379 W HN -0.220 nan 8.180 nan 0.000 0.603 380 K N 0.031 120.587 120.400 0.261 0.000 2.243 380 K HA 0.011 4.331 4.320 -0.000 0.000 0.201 380 K C -0.358 176.308 176.600 0.110 0.000 1.051 380 K CA 0.581 56.954 56.287 0.144 0.000 0.970 380 K CB -0.055 32.630 32.500 0.310 0.000 0.755 380 K HN -0.087 nan 8.250 nan 0.000 0.465 381 D N 1.233 121.698 120.400 0.108 0.000 2.229 381 D HA 0.063 4.703 4.640 -0.000 0.000 0.249 381 D C -0.759 175.497 176.300 -0.073 0.000 1.027 381 D CA -0.310 53.757 54.000 0.112 0.000 0.923 381 D CB 1.254 42.184 40.800 0.218 0.000 1.174 381 D HN -0.025 nan 8.370 nan 0.000 0.443 382 E N 1.651 121.797 120.200 -0.089 0.000 2.129 382 E HA 0.121 4.471 4.350 -0.000 0.000 0.283 382 E C 0.726 177.226 176.600 -0.168 0.000 1.080 382 E CA -0.207 56.071 56.400 -0.204 0.000 0.867 382 E CB 0.385 29.899 29.700 -0.310 0.000 1.056 382 E HN 0.416 nan 8.360 nan 0.000 0.404 383 I N 4.412 124.825 120.570 -0.261 0.000 2.500 383 I HA -0.090 4.080 4.170 -0.000 0.000 0.252 383 I C 0.774 176.909 176.117 0.030 0.000 1.142 383 I CA 0.257 61.343 61.300 -0.358 0.000 1.451 383 I CB -0.055 37.682 38.000 -0.438 0.000 1.093 383 I HN 0.733 nan 8.210 nan 0.000 0.430 384 F N 1.188 121.066 119.950 -0.120 0.000 3.027 384 F HA -0.295 4.232 4.527 -0.000 0.000 0.276 384 F C 0.177 175.995 175.800 0.030 0.000 0.967 384 F CA 0.085 58.065 58.000 -0.034 0.000 0.929 384 F CB -0.732 38.274 39.000 0.009 0.000 0.873 384 F HN 0.205 nan 8.300 nan 0.000 0.787 385 A N 0.654 123.456 122.820 -0.031 0.000 2.557 385 A HA 0.783 5.102 4.320 -0.000 0.000 0.292 385 A C -2.752 174.861 177.584 0.048 0.000 1.139 385 A CA -0.760 51.288 52.037 0.018 0.000 0.665 385 A CB 1.259 20.320 19.000 0.101 0.000 1.285 385 A HN -0.046 nan 8.150 nan 0.000 0.433 386 P HA 0.331 nan 4.420 nan 0.000 0.230 386 P C -0.991 176.532 177.300 0.372 0.000 1.791 386 P CA 0.291 63.583 63.100 0.320 0.000 1.020 386 P CB -0.116 31.806 31.700 0.369 0.000 1.977 387 V N 3.928 123.993 119.914 0.251 0.000 2.419 387 V HA 0.274 4.394 4.120 -0.000 0.000 0.287 387 V C 0.217 176.433 176.094 0.203 0.000 1.017 387 V CA -0.678 61.787 62.300 0.276 0.000 0.844 387 V CB 2.318 34.267 31.823 0.209 0.000 1.011 387 V HN 0.318 nan 8.190 nan 0.000 0.429 388 L N 3.433 124.825 121.223 0.282 0.000 2.322 388 L HA 0.673 5.013 4.340 -0.000 0.000 0.279 388 L C 0.002 177.015 176.870 0.239 0.000 1.036 388 L CA 0.010 54.947 54.840 0.161 0.000 0.807 388 L CB 2.118 44.251 42.059 0.123 0.000 1.226 388 L HN 0.613 nan 8.230 nan 0.000 0.433 389 S N 2.358 118.154 115.700 0.160 0.000 2.502 389 S HA 0.581 5.051 4.470 -0.000 0.000 0.304 389 S C -0.698 173.999 174.600 0.162 0.000 1.097 389 S CA -0.515 57.803 58.200 0.197 0.000 1.045 389 S CB 1.987 65.281 63.200 0.156 0.000 1.019 389 S HN 0.310 nan 8.310 nan 0.000 0.481 390 V N 4.338 124.364 119.914 0.187 0.000 2.581 390 V HA 0.618 4.738 4.120 -0.000 0.000 0.303 390 V C -0.471 175.703 176.094 0.133 0.000 1.041 390 V CA -0.614 61.785 62.300 0.166 0.000 0.907 390 V CB 1.563 33.515 31.823 0.216 0.000 0.994 390 V HN 0.798 nan 8.190 nan 0.000 0.442 391 I N 3.739 124.369 120.570 0.100 0.000 2.534 391 I HA 0.485 4.655 4.170 -0.000 0.000 0.288 391 I C -0.203 175.947 176.117 0.055 0.000 1.077 391 I CA -0.647 60.696 61.300 0.071 0.000 1.051 391 I CB 2.180 40.214 38.000 0.058 0.000 1.234 391 I HN 0.490 nan 8.210 nan 0.000 0.425 392 R N 5.081 125.610 120.500 0.048 0.000 2.308 392 R HA 0.624 4.964 4.340 -0.000 0.000 0.305 392 R C -0.709 175.606 176.300 0.025 0.000 1.053 392 R CA -0.535 55.587 56.100 0.037 0.000 0.957 392 R CB 1.662 31.986 30.300 0.041 0.000 1.022 392 R HN 0.483 nan 8.270 nan 0.000 0.461 393 V N -0.657 119.269 119.914 0.020 0.000 3.040 393 V HA 0.336 4.456 4.120 -0.000 0.000 0.312 393 V C 0.924 177.026 176.094 0.013 0.000 1.115 393 V CA -1.065 61.247 62.300 0.021 0.000 0.998 393 V CB 2.237 34.081 31.823 0.036 0.000 1.042 393 V HN 0.768 nan 8.190 nan 0.000 0.433 394 K N 1.943 122.349 120.400 0.011 0.000 2.062 394 K HA 0.049 4.369 4.320 -0.000 0.000 0.205 394 K C 0.609 177.208 176.600 -0.002 0.000 1.051 394 K CA 1.756 58.045 56.287 0.004 0.000 0.941 394 K CB 0.049 32.551 32.500 0.003 0.000 0.719 394 K HN 1.029 nan 8.250 nan 0.000 0.440 395 N N -2.139 116.562 118.700 0.002 0.000 3.020 395 N HA -0.011 4.729 4.740 -0.000 0.000 0.248 395 N C 0.378 175.894 175.510 0.010 0.000 1.480 395 N CA -0.647 52.398 53.050 -0.009 0.000 0.874 395 N CB 0.712 39.180 38.487 -0.031 0.000 1.433 395 N HN -0.127 nan 8.380 nan 0.000 0.530 396 L N 1.335 122.556 121.223 -0.003 0.000 2.021 396 L HA -0.174 4.166 4.340 -0.000 0.000 0.215 396 L C 2.484 179.427 176.870 0.122 0.000 1.074 396 L CA 2.042 56.912 54.840 0.051 0.000 0.760 396 L CB -0.818 41.253 42.059 0.019 0.000 0.889 396 L HN 0.842 nan 8.230 nan 0.000 0.433 397 K N -0.530 119.906 120.400 0.062 0.000 2.020 397 K HA -0.293 4.027 4.320 -0.000 0.000 0.212 397 K C 2.218 178.902 176.600 0.141 0.000 1.050 397 K CA 2.106 58.484 56.287 0.152 0.000 0.929 397 K CB -0.338 32.196 32.500 0.057 0.000 0.714 397 K HN 0.615 nan 8.250 nan 0.000 0.443 398 E N -0.317 119.935 120.200 0.087 0.000 2.110 398 E HA -0.195 4.155 4.350 -0.000 0.000 0.193 398 E C 1.755 178.419 176.600 0.107 0.000 0.988 398 E CA 0.980 57.427 56.400 0.079 0.000 0.804 398 E CB -0.112 29.617 29.700 0.048 0.000 0.745 398 E HN 0.443 nan 8.360 nan 0.000 0.458 399 A N 1.133 124.027 122.820 0.123 0.000 1.902 399 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 399 A C 2.150 179.857 177.584 0.205 0.000 1.181 399 A CA 1.270 53.405 52.037 0.164 0.000 0.623 399 A CB -0.565 18.523 19.000 0.147 0.000 0.818 399 A HN 0.328 nan 8.150 nan 0.000 0.443 400 I N -0.342 120.350 120.570 0.204 0.000 2.252 400 I HA -0.253 3.917 4.170 -0.000 0.000 0.245 400 I C 2.422 178.613 176.117 0.125 0.000 1.102 400 I CA 1.552 62.961 61.300 0.182 0.000 1.385 400 I CB -0.510 37.611 38.000 0.201 0.000 1.064 400 I HN 0.440 nan 8.210 nan 0.000 0.414 401 E N 0.937 121.211 120.200 0.124 0.000 2.110 401 E HA -0.201 4.149 4.350 -0.000 0.000 0.193 401 E C 2.255 178.922 176.600 0.111 0.000 0.988 401 E CA 1.238 57.695 56.400 0.096 0.000 0.804 401 E CB -0.066 29.682 29.700 0.081 0.000 0.745 401 E HN 0.526 nan 8.360 nan 0.000 0.458 402 I N 1.110 121.768 120.570 0.147 0.000 2.193 402 I HA -0.215 3.955 4.170 -0.000 0.000 0.240 402 I C 2.615 178.936 176.117 0.339 0.000 1.084 402 I CA 0.855 62.285 61.300 0.217 0.000 1.365 402 I CB -0.352 37.791 38.000 0.239 0.000 1.064 402 I HN 0.065 nan 8.210 nan 0.000 0.410 403 A N 0.991 123.925 122.820 0.190 0.000 1.940 403 A HA -0.227 4.093 4.320 -0.000 0.000 0.219 403 A C 1.959 179.459 177.584 -0.141 0.000 1.176 403 A CA 2.034 53.894 52.037 -0.295 0.000 0.631 403 A CB -0.699 18.194 19.000 -0.178 0.000 0.814 403 A HN 0.419 nan 8.150 nan 0.000 0.446 404 N N -0.604 118.100 118.700 0.007 0.000 2.459 404 N HA -0.073 4.667 4.740 -0.000 0.000 0.181 404 N C 1.452 177.008 175.510 0.077 0.000 1.046 404 N CA 1.155 54.218 53.050 0.022 0.000 0.904 404 N CB -0.226 38.275 38.487 0.023 0.000 0.964 404 N HN 0.676 nan 8.380 nan 0.000 0.444 405 K N 0.381 120.881 120.400 0.168 0.000 2.366 405 K HA 0.071 4.391 4.320 -0.000 0.000 0.198 405 K C 0.578 177.385 176.600 0.345 0.000 1.044 405 K CA 0.040 56.472 56.287 0.242 0.000 0.973 405 K CB 0.101 32.754 32.500 0.254 0.000 0.767 405 K HN -0.036 nan 8.250 nan 0.000 0.475 406 S N 0.812 116.687 115.700 0.291 0.000 2.572 406 S HA -0.063 4.407 4.470 -0.000 0.000 0.279 406 S C 1.010 175.585 174.600 -0.042 0.000 1.341 406 S CA -0.252 57.967 58.200 0.032 0.000 1.043 406 S CB 1.185 64.285 63.200 -0.167 0.000 0.887 406 S HN 0.422 nan 8.310 nan 0.000 0.516 407 E N 2.560 122.658 120.200 -0.170 0.000 2.208 407 E HA -0.040 4.310 4.350 -0.000 0.000 0.193 407 E C -0.491 175.828 176.600 -0.468 0.000 0.988 407 E CA 0.595 56.783 56.400 -0.353 0.000 0.828 407 E CB 0.070 29.446 29.700 -0.540 0.000 0.763 407 E HN 0.676 nan 8.360 nan 0.000 0.478 408 F N -0.163 119.735 119.950 -0.087 0.000 2.403 408 F HA 0.521 5.048 4.527 -0.000 0.000 0.326 408 F C 0.490 176.249 175.800 -0.068 0.000 1.081 408 F CA -0.411 57.544 58.000 -0.075 0.000 1.041 408 F CB 1.809 40.770 39.000 -0.064 0.000 1.234 408 F HN -0.120 nan 8.300 nan 0.000 0.503 409 A N 1.372 124.292 122.820 0.168 0.000 3.367 409 A HA 0.203 4.523 4.320 -0.000 0.000 0.208 409 A C 0.118 177.761 177.584 0.097 0.000 1.043 409 A CA -0.473 51.626 52.037 0.103 0.000 1.079 409 A CB -0.732 18.346 19.000 0.131 0.000 1.314 409 A HN 0.908 nan 8.150 nan 0.000 0.668 410 N N 0.338 119.087 118.700 0.082 0.000 2.124 410 N HA 0.128 4.868 4.740 -0.000 0.000 0.189 410 N C 0.960 176.427 175.510 -0.072 0.000 1.050 410 N CA 1.259 54.324 53.050 0.024 0.000 0.848 410 N CB 0.168 38.691 38.487 0.061 0.000 1.027 410 N HN 0.550 nan 8.380 nan 0.000 0.435 411 G N -0.839 107.936 108.800 -0.042 0.000 2.569 411 G HA2 0.723 4.683 3.960 -0.000 0.000 0.300 411 G HA3 0.723 4.683 3.960 -0.000 0.000 0.300 411 G C -1.890 173.017 174.900 0.012 0.000 1.269 411 G CA -0.330 44.729 45.100 -0.068 0.000 0.959 411 G HN 0.430 nan 8.290 nan 0.000 0.478 412 A N -0.789 122.058 122.820 0.046 0.000 2.547 412 A HA 0.676 4.996 4.320 -0.000 0.000 0.297 412 A C -0.900 176.848 177.584 0.273 0.000 1.056 412 A CA -0.496 51.654 52.037 0.189 0.000 0.688 412 A CB 1.068 20.185 19.000 0.194 0.000 1.282 412 A HN 1.127 nan 8.150 nan 0.000 0.400 413 C N 0.881 120.307 119.300 0.211 0.000 2.614 413 C HA 0.870 5.330 4.460 -0.000 0.000 0.320 413 C C -0.779 174.047 174.990 -0.274 0.000 1.200 413 C CA -0.508 58.504 59.018 -0.011 0.000 1.700 413 C CB 1.267 29.009 27.740 0.003 0.000 2.275 413 C HN 0.955 nan 8.230 nan 0.000 0.492 414 L N 1.893 122.748 121.223 -0.613 0.000 2.441 414 L HA 0.637 4.977 4.340 -0.000 0.000 0.270 414 L C -1.629 174.900 176.870 -0.568 0.000 0.973 414 L CA -0.050 54.355 54.840 -0.725 0.000 0.842 414 L CB 0.602 41.833 42.059 -1.381 0.000 1.239 414 L HN 0.607 nan 8.230 nan 0.000 0.406 415 F N 4.406 124.212 119.950 -0.241 0.000 2.313 415 F HA 0.725 5.252 4.527 -0.000 0.000 0.369 415 F C 0.656 176.373 175.800 -0.139 0.000 1.109 415 F CA 0.012 57.919 58.000 -0.155 0.000 1.132 415 F CB 1.534 40.463 39.000 -0.119 0.000 1.291 415 F HN 0.627 nan 8.300 nan 0.000 0.496 416 T N 0.398 114.930 114.554 -0.036 0.000 2.693 416 T HA 0.398 4.748 4.350 -0.000 0.000 0.304 416 T C -0.172 174.506 174.700 -0.035 0.000 1.471 416 T CA -0.432 61.650 62.100 -0.031 0.000 0.993 416 T CB 1.491 70.319 68.868 -0.067 0.000 1.554 416 T HN 0.203 nan 8.240 nan 0.000 0.496 417 S N 1.013 116.699 115.700 -0.022 0.000 2.960 417 S HA 0.294 4.764 4.470 -0.000 0.000 0.256 417 S C -0.160 174.430 174.600 -0.017 0.000 1.017 417 S CA -0.431 57.758 58.200 -0.018 0.000 1.144 417 S CB -0.044 63.153 63.200 -0.004 0.000 1.109 417 S HN 0.626 nan 8.310 nan 0.000 0.638 418 N N 1.968 120.655 118.700 -0.021 0.000 2.462 418 N HA 0.187 4.927 4.740 -0.000 0.000 0.242 418 N C 1.195 176.700 175.510 -0.009 0.000 1.010 418 N CA 0.048 53.089 53.050 -0.014 0.000 0.939 418 N CB 0.881 39.358 38.487 -0.017 0.000 1.127 418 N HN 0.108 nan 8.380 nan 0.000 0.509 419 S N 2.806 118.504 115.700 -0.004 0.000 2.387 419 S HA -0.238 4.232 4.470 -0.000 0.000 0.230 419 S C 1.331 175.944 174.600 0.022 0.000 1.035 419 S CA 1.234 59.437 58.200 0.004 0.000 1.014 419 S CB -0.473 62.728 63.200 0.002 0.000 0.836 419 S HN 0.708 nan 8.310 nan 0.000 0.466 420 N N 1.872 120.584 118.700 0.020 0.000 2.188 420 N HA 0.024 4.764 4.740 -0.000 0.000 0.184 420 N C 2.064 177.615 175.510 0.069 0.000 1.018 420 N CA 0.952 54.024 53.050 0.037 0.000 0.858 420 N CB -0.371 38.124 38.487 0.013 0.000 0.989 420 N HN 0.611 nan 8.380 nan 0.000 0.426 421 A N 1.350 124.197 122.820 0.045 0.000 1.898 421 A HA -0.062 4.258 4.320 -0.000 0.000 0.216 421 A C 2.109 179.780 177.584 0.144 0.000 1.181 421 A CA 0.833 52.913 52.037 0.073 0.000 0.620 421 A CB -0.534 18.470 19.000 0.008 0.000 0.819 421 A HN 0.155 nan 8.150 nan 0.000 0.442 422 I N -0.770 119.848 120.570 0.080 0.000 2.163 422 I HA -0.291 3.879 4.170 -0.000 0.000 0.243 422 I C 2.738 178.950 176.117 0.158 0.000 1.085 422 I CA 1.882 63.241 61.300 0.098 0.000 1.347 422 I CB -0.307 37.709 38.000 0.026 0.000 1.044 422 I HN 0.387 nan 8.210 nan 0.000 0.408 423 R N 0.110 120.678 120.500 0.113 0.000 2.081 423 R HA -0.246 4.094 4.340 -0.000 0.000 0.235 423 R C 2.555 178.917 176.300 0.102 0.000 1.131 423 R CA 1.696 57.846 56.100 0.082 0.000 0.960 423 R CB -0.502 29.833 30.300 0.059 0.000 0.856 423 R HN 0.314 nan 8.270 nan 0.000 0.436 424 Y N 0.462 120.791 120.300 0.050 0.000 2.128 424 Y HA -0.292 4.258 4.550 -0.000 0.000 0.284 424 Y C 1.935 177.880 175.900 0.075 0.000 1.154 424 Y CA 2.084 60.213 58.100 0.048 0.000 1.149 424 Y CB -0.555 37.938 38.460 0.054 0.000 0.976 424 Y HN 0.149 nan 8.280 nan 0.000 0.505 425 F N 1.073 121.073 119.950 0.084 0.000 2.069 425 F HA -0.227 4.300 4.527 -0.000 0.000 0.298 425 F C 2.703 178.444 175.800 -0.097 0.000 1.113 425 F CA 2.309 60.312 58.000 0.004 0.000 1.214 425 F CB -0.663 38.350 39.000 0.022 0.000 0.978 425 F HN -0.048 nan 8.300 nan 0.000 0.474 426 R N 0.370 120.781 120.500 -0.149 0.000 2.092 426 R HA -0.131 4.209 4.340 -0.000 0.000 0.231 426 R C 1.871 177.991 176.300 -0.300 0.000 1.119 426 R CA 1.591 57.512 56.100 -0.297 0.000 0.970 426 R CB -0.371 29.855 30.300 -0.123 0.000 0.864 426 R HN 0.320 nan 8.270 nan 0.000 0.440 427 E N 0.119 120.173 120.200 -0.243 0.000 2.285 427 E HA -0.074 4.276 4.350 -0.000 0.000 0.194 427 E C 0.773 177.190 176.600 -0.306 0.000 0.997 427 E CA 0.925 57.177 56.400 -0.247 0.000 0.845 427 E CB 0.008 29.587 29.700 -0.202 0.000 0.782 427 E HN 0.497 nan 8.360 nan 0.000 0.491 428 N N -0.471 117.995 118.700 -0.389 0.000 2.257 428 N HA 0.080 4.820 4.740 -0.000 0.000 0.200 428 N C 0.224 175.561 175.510 -0.289 0.000 1.163 428 N CA -0.262 52.571 53.050 -0.361 0.000 0.891 428 N CB 0.879 39.050 38.487 -0.528 0.000 1.067 428 N HN -0.008 nan 8.380 nan 0.000 0.497 429 I N 1.012 121.349 120.570 -0.389 0.000 2.779 429 I HA -0.003 4.167 4.170 -0.000 0.000 0.285 429 I C 0.613 176.566 176.117 -0.273 0.000 1.134 429 I CA 0.207 61.281 61.300 -0.377 0.000 1.398 429 I CB 0.776 38.326 38.000 -0.750 0.000 1.404 429 I HN 0.036 nan 8.210 nan 0.000 0.587 430 D N 4.712 125.019 120.400 -0.155 0.000 2.240 430 D HA 0.155 4.795 4.640 -0.000 0.000 0.206 430 D C 0.541 176.819 176.300 -0.036 0.000 0.963 430 D CA 0.655 54.630 54.000 -0.041 0.000 0.863 430 D CB -0.155 40.688 40.800 0.072 0.000 0.973 430 D HN 0.627 nan 8.370 nan 0.000 0.501 431 A N 0.168 122.932 122.820 -0.094 0.000 2.520 431 A HA 0.402 4.722 4.320 -0.000 0.000 0.235 431 A C 1.530 178.997 177.584 -0.195 0.000 1.065 431 A CA 0.634 52.618 52.037 -0.088 0.000 0.764 431 A CB 0.362 19.304 19.000 -0.097 0.000 1.002 431 A HN 0.234 nan 8.150 nan 0.000 0.502 432 G N 0.285 108.966 108.800 -0.199 0.000 2.796 432 G HA2 0.312 4.272 3.960 -0.000 0.000 0.210 432 G HA3 0.312 4.272 3.960 -0.000 0.000 0.210 432 G C 0.414 175.090 174.900 -0.373 0.000 1.146 432 G CA -0.092 44.814 45.100 -0.323 0.000 0.779 432 G HN 0.584 nan 8.290 nan 0.000 0.535 433 M N 1.989 121.380 119.600 -0.349 0.000 2.027 433 M HA 0.390 4.870 4.480 -0.000 0.000 0.329 433 M C -1.425 174.723 176.300 -0.253 0.000 0.971 433 M CA -0.614 54.455 55.300 -0.385 0.000 0.933 433 M CB 2.007 34.289 32.600 -0.530 0.000 1.392 433 M HN -0.186 nan 8.290 nan 0.000 0.394 434 L N 2.020 123.112 121.223 -0.219 0.000 2.325 434 L HA 0.790 5.130 4.340 -0.000 0.000 0.279 434 L C 0.587 177.411 176.870 -0.077 0.000 1.054 434 L CA -0.350 54.445 54.840 -0.074 0.000 0.804 434 L CB 1.501 43.537 42.059 -0.038 0.000 1.200 434 L HN 0.673 nan 8.230 nan 0.000 0.436 435 G N 3.539 112.324 108.800 -0.025 0.000 2.609 435 G HA2 0.628 4.588 3.960 -0.000 0.000 0.308 435 G HA3 0.628 4.588 3.960 -0.000 0.000 0.308 435 G C -0.990 173.774 174.900 -0.227 0.000 1.369 435 G CA -0.270 44.751 45.100 -0.131 0.000 0.958 435 G HN 0.294 nan 8.290 nan 0.000 0.499 436 I N 2.570 122.990 120.570 -0.249 0.000 2.330 436 I HA 0.266 4.436 4.170 -0.000 0.000 0.289 436 I C 0.114 175.974 176.117 -0.427 0.000 1.001 436 I CA -0.753 60.344 61.300 -0.338 0.000 1.193 436 I CB 0.935 38.818 38.000 -0.196 0.000 1.345 436 I HN 0.588 nan 8.210 nan 0.000 0.461 437 N N 4.814 123.043 118.700 -0.785 0.000 2.747 437 N HA -0.191 4.548 4.740 -0.000 0.000 0.249 437 N C -0.843 174.380 175.510 -0.478 0.000 1.107 437 N CA 0.786 53.369 53.050 -0.779 0.000 0.707 437 N CB -0.999 37.358 38.487 -0.216 0.000 1.054 437 N HN 0.545 nan 8.380 nan 0.000 0.555 438 L N -1.490 119.372 121.223 -0.601 0.000 2.455 438 L HA 0.511 4.851 4.340 -0.000 0.000 0.264 438 L C 1.619 178.511 176.870 0.037 0.000 0.968 438 L CA -0.551 54.219 54.840 -0.117 0.000 0.827 438 L CB 1.947 43.942 42.059 -0.107 0.000 1.317 438 L HN 0.035 nan 8.230 nan 0.000 0.407 439 G N 1.891 110.843 108.800 0.253 0.000 2.404 439 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.214 439 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.214 439 G C 0.453 175.426 174.900 0.122 0.000 1.189 439 G CA 0.434 45.688 45.100 0.257 0.000 0.789 439 G HN 0.267 nan 8.290 nan 0.000 0.533 440 V N 3.264 123.227 119.914 0.081 0.000 2.304 440 V HA 0.246 4.366 4.120 -0.000 0.000 0.269 440 V C -1.420 174.677 176.094 0.004 0.000 1.036 440 V CA -1.137 61.196 62.300 0.054 0.000 0.840 440 V CB 1.670 33.538 31.823 0.076 0.000 1.036 440 V HN 0.248 nan 8.190 nan 0.000 0.466 441 P HA 0.152 nan 4.420 nan 0.000 0.259 441 P C 0.315 177.513 177.300 -0.170 0.000 1.480 441 P CA -0.017 63.020 63.100 -0.106 0.000 0.842 441 P CB 0.287 31.922 31.700 -0.108 0.000 1.513 442 A N 2.828 125.586 122.820 -0.103 0.000 2.484 442 A HA 0.370 4.690 4.320 -0.000 0.000 0.268 442 A C -1.619 175.876 177.584 -0.148 0.000 1.114 442 A CA -1.042 50.928 52.037 -0.112 0.000 0.780 442 A CB -0.609 18.464 19.000 0.122 0.000 1.061 442 A HN 0.203 nan 8.150 nan 0.000 0.505 443 P HA 0.204 nan 4.420 nan 0.000 0.274 443 P C -0.087 177.098 177.300 -0.192 0.000 1.231 443 P CA -0.244 62.696 63.100 -0.267 0.000 0.790 443 P CB 0.622 32.086 31.700 -0.393 0.000 0.951 444 M N 1.316 120.764 119.600 -0.252 0.000 2.232 444 M HA 0.112 4.592 4.480 -0.000 0.000 0.321 444 M C 1.835 177.731 176.300 -0.674 0.000 1.101 444 M CA -0.196 54.794 55.300 -0.516 0.000 1.181 444 M CB 0.427 32.498 32.600 -0.881 0.000 1.432 444 M HN 0.477 nan 8.290 nan 0.000 0.457 445 A N 2.131 124.559 122.820 -0.654 0.000 1.971 445 A HA -0.200 4.120 4.320 -0.000 0.000 0.222 445 A C 1.376 178.436 177.584 -0.874 0.000 1.182 445 A CA 2.040 53.745 52.037 -0.553 0.000 0.649 445 A CB -1.023 17.806 19.000 -0.285 0.000 0.818 445 A HN 0.832 nan 8.150 nan 0.000 0.458 446 F N -3.370 116.082 119.950 -0.831 0.000 2.816 446 F HA 0.506 5.032 4.527 -0.000 0.000 0.302 446 F C 0.178 175.423 175.800 -0.926 0.000 1.178 446 F CA -0.923 56.248 58.000 -1.382 0.000 1.421 446 F CB -1.044 37.377 39.000 -0.964 0.000 1.114 446 F HN 0.032 nan 8.300 nan 0.000 0.573 447 F N 2.430 122.128 119.950 -0.420 0.000 2.532 447 F HA 0.503 5.030 4.527 0.000 0.000 0.321 447 F C -2.268 173.368 175.800 -0.273 0.000 1.089 447 F CA -3.004 54.851 58.000 -0.242 0.000 0.926 447 F CB 2.033 40.897 39.000 -0.226 0.000 1.168 447 F HN -0.322 nan 8.300 nan 0.000 0.459 448 P HA 0.006 nan 4.420 nan 0.000 0.276 448 P C -0.480 176.696 177.300 -0.206 0.000 1.230 448 P CA -0.059 62.997 63.100 -0.073 0.000 0.776 448 P CB 0.593 32.297 31.700 0.006 0.000 0.888 449 F N 3.576 123.261 119.950 -0.442 0.000 2.685 449 F HA 0.018 4.545 4.527 -0.000 0.000 0.349 449 F C 0.686 176.068 175.800 -0.697 0.000 1.294 449 F CA 0.154 57.828 58.000 -0.545 0.000 1.201 449 F CB -0.475 38.098 39.000 -0.712 0.000 1.615 449 F HN 0.166 nan 8.300 nan 0.000 0.674 450 S N 2.557 117.712 115.700 -0.907 0.000 2.701 450 S HA 0.530 5.000 4.470 -0.000 0.000 0.317 450 S C 0.665 174.735 174.600 -0.883 0.000 1.149 450 S CA -0.454 56.848 58.200 -1.497 0.000 1.052 450 S CB 0.345 62.940 63.200 -1.009 0.000 1.257 450 S HN 0.607 nan 8.310 nan 0.000 0.532 451 G N 1.895 110.316 108.800 -0.632 0.000 2.537 451 G HA2 0.578 4.538 3.960 -0.000 0.000 0.297 451 G HA3 0.578 4.538 3.960 -0.000 0.000 0.297 451 G C -1.015 174.031 174.900 0.244 0.000 1.310 451 G CA -1.102 43.927 45.100 -0.119 0.000 1.027 451 G HN 0.713 nan 8.290 nan 0.000 0.505 452 W N -1.031 120.261 121.300 -0.013 0.000 2.959 452 W HA 0.332 4.992 4.660 -0.000 0.000 0.358 452 W C -0.268 176.242 176.519 -0.015 0.000 1.228 452 W CA -0.701 56.661 57.345 0.027 0.000 1.183 452 W CB 1.283 30.721 29.460 -0.037 0.000 1.467 452 W HN 0.652 nan 8.180 nan 0.000 0.578 453 K N -0.238 119.741 120.400 -0.703 0.000 1.939 453 K HA -0.255 4.065 4.320 -0.000 0.000 0.165 453 K C 0.768 177.094 176.600 -0.456 0.000 1.508 453 K CA 1.776 57.736 56.287 -0.546 0.000 0.525 453 K CB -1.757 30.586 32.500 -0.262 0.000 0.615 453 K HN 0.468 nan 8.250 nan 0.000 0.888 454 S N 1.027 116.524 115.700 -0.338 0.000 2.660 454 S HA 0.014 4.484 4.470 -0.000 0.000 0.228 454 S C 1.419 175.860 174.600 -0.265 0.000 0.966 454 S CA 0.938 58.938 58.200 -0.333 0.000 0.940 454 S CB -0.082 62.885 63.200 -0.388 0.000 0.773 454 S HN 0.418 nan 8.310 nan 0.000 0.535 455 S N 0.496 116.100 115.700 -0.159 0.000 2.517 455 S HA 0.335 4.805 4.470 -0.000 0.000 0.214 455 S C -0.129 174.449 174.600 -0.036 0.000 0.991 455 S CA -0.196 58.023 58.200 0.032 0.000 0.906 455 S CB 0.169 63.465 63.200 0.161 0.000 0.789 455 S HN 0.567 nan 8.310 nan 0.000 0.513 456 F N 0.989 120.627 119.950 -0.520 0.000 2.588 456 F HA 0.566 5.093 4.527 -0.000 0.000 0.314 456 F C -2.273 173.070 175.800 -0.761 0.000 1.134 456 F CA -1.816 55.934 58.000 -0.416 0.000 0.961 456 F CB 0.980 39.982 39.000 0.002 0.000 1.239 456 F HN -0.091 nan 8.300 nan 0.000 0.448 457 F N 5.250 124.577 119.950 -1.039 0.000 2.496 457 F HA 0.743 5.270 4.527 -0.000 0.000 0.341 457 F C 0.496 175.414 175.800 -1.470 0.000 1.134 457 F CA -0.234 57.011 58.000 -1.257 0.000 0.968 457 F CB 1.622 39.989 39.000 -1.055 0.000 1.205 457 F HN 0.869 nan 8.300 nan 0.000 0.436 458 G N 1.682 109.823 108.800 -1.098 0.000 2.291 458 G HA2 0.146 4.106 3.960 -0.000 0.000 0.249 458 G HA3 0.146 4.106 3.960 -0.000 0.000 0.249 458 G C -0.183 174.674 174.900 -0.071 0.000 1.340 458 G CA -0.023 44.865 45.100 -0.354 0.000 1.017 458 G HN 0.383 nan 8.290 nan 0.000 0.470 459 T N -0.176 114.524 114.554 0.242 0.000 3.174 459 T HA 0.362 4.712 4.350 -0.000 0.000 0.252 459 T C 0.844 175.682 174.700 0.230 0.000 0.984 459 T CA 0.291 62.563 62.100 0.287 0.000 1.113 459 T CB 0.059 69.052 68.868 0.208 0.000 1.088 459 T HN 0.365 nan 8.240 nan 0.000 0.442 460 L N 3.083 124.444 121.223 0.230 0.000 2.275 460 L HA 0.420 4.760 4.340 -0.000 0.000 0.288 460 L C 0.449 177.264 176.870 -0.092 0.000 1.046 460 L CA -0.935 53.926 54.840 0.035 0.000 0.805 460 L CB 0.819 42.981 42.059 0.173 0.000 1.193 460 L HN 0.337 nan 8.230 nan 0.000 0.426 461 H N 1.671 120.640 119.070 -0.169 0.000 2.408 461 H HA 0.388 4.944 4.556 -0.000 0.000 0.352 461 H C 0.079 175.275 175.328 -0.219 0.000 1.607 461 H CA -0.418 55.428 56.048 -0.337 0.000 1.445 461 H CB 0.808 30.290 29.762 -0.468 0.000 1.664 461 H HN 0.669 nan 8.280 nan 0.000 0.605 462 A N 0.080 122.861 122.820 -0.064 0.000 2.302 462 A HA 0.348 4.668 4.320 -0.000 0.000 0.285 462 A C 0.217 177.667 177.584 -0.223 0.000 1.105 462 A CA -0.227 51.710 52.037 -0.167 0.000 0.816 462 A CB -0.174 18.707 19.000 -0.199 0.000 1.067 462 A HN 0.962 nan 8.150 nan 0.000 0.489 463 N N -1.104 117.494 118.700 -0.169 0.000 6.584 463 N HA -0.012 4.728 4.740 -0.000 0.000 0.411 463 N C 0.490 176.001 175.510 0.001 0.000 0.981 463 N CA 0.848 53.826 53.050 -0.121 0.000 1.762 463 N CB -0.646 37.618 38.487 -0.372 0.000 0.760 463 N HN 2.386 nan 8.380 nan 0.000 0.447 464 G N -0.116 108.677 108.800 -0.012 0.000 2.601 464 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.261 464 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.261 464 G C 0.221 175.304 174.900 0.306 0.000 1.289 464 G CA 0.721 45.815 45.100 -0.010 0.000 0.920 464 G HN 0.703 nan 8.290 nan 0.000 0.571 465 K N -0.025 120.499 120.400 0.206 0.000 2.366 465 K HA 0.037 4.357 4.320 -0.000 0.000 0.198 465 K C 1.849 178.534 176.600 0.141 0.000 1.044 465 K CA 0.984 57.393 56.287 0.203 0.000 0.973 465 K CB -0.059 32.523 32.500 0.136 0.000 0.767 465 K HN 0.424 nan 8.250 nan 0.000 0.475 466 D N 0.489 120.955 120.400 0.111 0.000 2.117 466 D HA -0.139 4.501 4.640 -0.000 0.000 0.197 466 D C 1.997 178.348 176.300 0.084 0.000 0.987 466 D CA 1.522 55.573 54.000 0.086 0.000 0.829 466 D CB -0.076 40.758 40.800 0.056 0.000 0.961 466 D HN 0.144 nan 8.370 nan 0.000 0.460 467 S N -0.420 115.319 115.700 0.065 0.000 2.402 467 S HA -0.099 4.371 4.470 -0.000 0.000 0.229 467 S C 2.146 176.789 174.600 0.072 0.000 1.021 467 S CA 0.681 58.870 58.200 -0.018 0.000 0.974 467 S CB -0.547 62.671 63.200 0.029 0.000 0.800 467 S HN 0.088 nan 8.310 nan 0.000 0.484 468 V N 2.547 122.547 119.914 0.143 0.000 2.358 468 V HA -0.134 3.986 4.120 -0.000 0.000 0.246 468 V C 2.387 178.573 176.094 0.154 0.000 1.047 468 V CA 2.134 64.524 62.300 0.150 0.000 1.035 468 V CB -0.727 31.159 31.823 0.105 0.000 0.658 468 V HN 0.444 nan 8.190 nan 0.000 0.452 469 D N -0.917 119.567 120.400 0.139 0.000 2.194 469 D HA -0.087 4.553 4.640 -0.000 0.000 0.204 469 D C 1.823 178.213 176.300 0.150 0.000 0.964 469 D CA 0.851 54.931 54.000 0.133 0.000 0.846 469 D CB -0.107 40.766 40.800 0.120 0.000 0.962 469 D HN 0.451 nan 8.370 nan 0.000 0.490 470 F N 0.256 120.207 119.950 0.003 0.000 2.186 470 F HA -0.116 4.411 4.527 0.000 0.000 0.299 470 F C 1.429 177.281 175.800 0.087 0.000 1.090 470 F CA 1.189 59.178 58.000 -0.018 0.000 1.307 470 F CB -0.231 38.672 39.000 -0.162 0.000 1.019 470 F HN -0.022 nan 8.300 nan 0.000 0.489 471 Y N -0.399 120.003 120.300 0.170 0.000 2.495 471 Y HA 0.192 4.742 4.550 -0.000 0.000 0.293 471 Y C 0.559 176.497 175.900 0.063 0.000 1.186 471 Y CA -0.344 57.813 58.100 0.094 0.000 1.266 471 Y CB 0.059 38.665 38.460 0.242 0.000 1.101 471 Y HN -0.108 nan 8.280 nan 0.000 0.517 472 T N 0.245 114.900 114.554 0.169 0.000 2.841 472 T HA 0.623 4.973 4.350 -0.000 0.000 0.296 472 T C -1.344 173.418 174.700 0.104 0.000 1.166 472 T CA -0.858 61.333 62.100 0.151 0.000 1.007 472 T CB 1.591 70.554 68.868 0.158 0.000 1.253 472 T HN 0.374 nan 8.240 nan 0.000 0.511 473 R N 0.831 121.414 120.500 0.139 0.000 2.808 473 R HA 0.801 5.141 4.340 -0.000 0.000 0.272 473 R C -1.542 174.870 176.300 0.186 0.000 0.995 473 R CA -1.022 55.152 56.100 0.123 0.000 0.917 473 R CB 1.294 31.646 30.300 0.087 0.000 1.217 473 R HN 0.404 nan 8.270 nan 0.000 0.471 474 K N 1.219 121.712 120.400 0.155 0.000 2.267 474 K HA 0.485 4.805 4.320 -0.000 0.000 0.246 474 K C -1.010 175.699 176.600 0.182 0.000 0.954 474 K CA -1.089 55.316 56.287 0.197 0.000 0.824 474 K CB 2.251 34.832 32.500 0.135 0.000 1.167 474 K HN 0.440 nan 8.250 nan 0.000 0.431 475 K N 1.377 121.933 120.400 0.260 0.000 2.471 475 K HA 0.354 4.674 4.320 -0.000 0.000 0.252 475 K C -1.428 175.319 176.600 0.245 0.000 0.938 475 K CA -0.756 55.648 56.287 0.195 0.000 0.796 475 K CB 2.505 35.092 32.500 0.146 0.000 1.161 475 K HN 0.269 nan 8.250 nan 0.000 0.425 476 V N 3.440 123.448 119.914 0.157 0.000 2.547 476 V HA 0.530 4.650 4.120 -0.000 0.000 0.299 476 V C -1.091 175.088 176.094 0.142 0.000 1.040 476 V CA -0.527 61.860 62.300 0.144 0.000 0.913 476 V CB 1.749 33.617 31.823 0.076 0.000 0.992 476 V HN 0.472 nan 8.190 nan 0.000 0.449 477 V N 5.312 125.326 119.914 0.167 0.000 2.443 477 V HA 0.447 4.567 4.120 -0.000 0.000 0.293 477 V C -0.072 176.074 176.094 0.086 0.000 1.021 477 V CA -0.370 62.012 62.300 0.138 0.000 0.848 477 V CB 1.913 33.860 31.823 0.208 0.000 0.998 477 V HN 0.967 nan 8.190 nan 0.000 0.424 478 T N 4.758 119.331 114.554 0.031 0.000 2.756 478 T HA 0.743 5.093 4.350 -0.000 0.000 0.290 478 T C 0.016 174.672 174.700 -0.073 0.000 0.985 478 T CA -0.208 61.886 62.100 -0.010 0.000 0.955 478 T CB 1.358 70.217 68.868 -0.015 0.000 0.930 478 T HN 0.894 nan 8.240 nan 0.000 0.451 479 A N 3.588 126.325 122.820 -0.139 0.000 2.365 479 A HA 0.807 5.127 4.320 -0.000 0.000 0.318 479 A C -0.295 176.979 177.584 -0.517 0.000 1.091 479 A CA -0.958 50.847 52.037 -0.387 0.000 0.763 479 A CB 1.260 19.930 19.000 -0.549 0.000 1.248 479 A HN 0.763 nan 8.150 nan 0.000 0.442 480 R N 1.828 121.988 120.500 -0.565 0.000 2.310 480 R HA 0.540 4.880 4.340 -0.000 0.000 0.324 480 R C -1.966 174.070 176.300 -0.440 0.000 0.955 480 R CA -0.220 55.657 56.100 -0.371 0.000 0.830 480 R CB 0.505 30.698 30.300 -0.179 0.000 1.154 480 R HN 0.737 nan 8.270 nan 0.000 0.458 481 Y N 5.457 125.764 120.300 0.011 0.000 2.749 481 Y HA 0.315 4.865 4.550 -0.000 0.000 0.343 481 Y C -1.920 173.983 175.900 0.006 0.000 1.015 481 Y CA -2.557 55.548 58.100 0.008 0.000 1.270 481 Y CB 1.459 39.928 38.460 0.016 0.000 1.097 481 Y HN 0.544 nan 8.280 nan 0.000 0.571 482 P HA -0.005 nan 4.420 nan 0.000 0.265 482 P C -0.139 177.196 177.300 0.057 0.000 1.193 482 P CA 0.020 63.157 63.100 0.062 0.000 0.765 482 P CB 0.741 32.457 31.700 0.027 0.000 0.823 483 A N 5.773 128.623 122.820 0.050 0.000 2.540 483 A HA 0.279 4.599 4.320 -0.000 0.000 0.239 483 A C -1.437 176.119 177.584 -0.046 0.000 1.061 483 A CA -0.719 51.348 52.037 0.049 0.000 0.758 483 A CB -1.140 17.911 19.000 0.085 0.000 0.991 483 A HN 0.465 nan 8.150 nan 0.000 0.502 484 P HA 0.112 nan 4.420 nan 0.000 0.271 484 P C -0.806 176.126 177.300 -0.614 0.000 1.244 484 P CA -0.315 62.554 63.100 -0.385 0.000 0.793 484 P CB 0.587 31.997 31.700 -0.483 0.000 0.984 485 D N 0.491 120.558 120.400 -0.554 0.000 2.274 485 D HA 0.318 4.958 4.640 -0.000 0.000 0.239 485 D C -0.439 175.558 176.300 -0.503 0.000 1.104 485 D CA -0.131 53.630 54.000 -0.398 0.000 0.840 485 D CB 0.329 41.019 40.800 -0.182 0.000 1.100 485 D HN 0.127 nan 8.370 nan 0.000 0.477 486 F N 0.000 119.953 119.950 0.006 0.000 2.286 486 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 486 F CA 0.000 58.002 58.000 0.004 0.000 1.383 486 F CB 0.000 39.002 39.000 0.003 0.000 1.145 486 F HN 0.000 nan 8.300 nan 0.000 0.574