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 3lg1_1_A DATA FIRST_RESID 5 DATA SEQUENCE NLKPVDAMQC FDCHTQIEDM HTVGKHATVN CVHCHDATEH VETASSRRMG DATA SEQUENCE ERPVTRMDLE ACATCHTAQF NSFVEVRHES HPRLEKATPT SRSPMFDKLI DATA SEQUENCE AGHGFAFEHA EPRSHAFMLV DHFVVDRAYG GRFQFKNWQK VTDGMGAVRG DATA SEQUENCE AWTVLTDADP ESSDQRRFLS QTATAANPVC LNCKTQDHIL DWAYMGDEHE DATA SEQUENCE AAKWSRTSEV VEFARDLNHP LNCFMCHDPH SAGPRVVRDG LINAVVDRGL DATA SEQUENCE GTYPHDPVKS EQQGMTKVTF QRGREDFRAI GLLDTADSNV MCAQCHVEYN DATA SEQUENCE CNPGYQLSDG SRVGMDDRRA NHFFWANVFD YKEAAQEIDF FDFRHATTGA DATA SEQUENCE ALPKLQHPEA ETFWGSVHER NGVACADCHM PKVQLENGKV YTSHSQRTPR DATA SEQUENCE DMMGQACLNC HAEWTEDQAL YAIDYIKNYT HGKIVKSEYW LAKMIDLFPV DATA SEQUENCE AKRAGVSEDV LNQARELHYD AHLYWEWWTA ENSVGFHNPD QARESLMTSI DATA SEQUENCE SKSKEAVSLL NDAIDAQVA 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 5 N HA 0.000 nan 4.740 nan 0.000 0.220 5 N C 0.000 175.474 175.510 -0.060 0.000 1.280 5 N CA 0.000 53.023 53.050 -0.045 0.000 0.885 5 N CB 0.000 38.465 38.487 -0.037 0.000 1.341 6 L N 1.488 122.660 121.223 -0.085 0.000 2.525 6 L HA 0.059 4.399 4.340 -0.000 0.000 0.278 6 L C 0.447 177.255 176.870 -0.103 0.000 1.218 6 L CA 0.412 55.178 54.840 -0.123 0.000 0.878 6 L CB 0.236 42.163 42.059 -0.220 0.000 1.127 6 L HN 0.177 nan 8.230 nan 0.000 0.492 7 K N 4.925 125.269 120.400 -0.093 0.000 2.323 7 K HA 0.468 4.788 4.320 -0.000 0.000 0.259 7 K C -2.301 174.253 176.600 -0.077 0.000 0.947 7 K CA -1.780 54.465 56.287 -0.070 0.000 0.819 7 K CB 1.735 34.205 32.500 -0.050 0.000 1.109 7 K HN 0.299 nan 8.250 nan 0.000 0.429 8 P HA 0.064 nan 4.420 nan 0.000 0.272 8 P C 0.015 177.283 177.300 -0.052 0.000 1.223 8 P CA -0.455 62.610 63.100 -0.057 0.000 0.784 8 P CB 0.641 32.323 31.700 -0.030 0.000 0.923 9 V N -1.782 118.097 119.914 -0.057 0.000 2.973 9 V HA 0.407 4.527 4.120 -0.000 0.000 0.314 9 V C 0.180 176.226 176.094 -0.081 0.000 1.066 9 V CA -0.905 61.357 62.300 -0.064 0.000 1.021 9 V CB 1.149 32.934 31.823 -0.064 0.000 1.076 9 V HN 0.401 nan 8.190 nan 0.000 0.462 10 D N 2.008 122.356 120.400 -0.086 0.000 2.359 10 D HA 0.415 5.055 4.640 -0.000 0.000 0.250 10 D C 0.979 177.168 176.300 -0.185 0.000 1.264 10 D CA 0.526 54.465 54.000 -0.103 0.000 0.911 10 D CB 1.184 41.939 40.800 -0.075 0.000 1.056 10 D HN 0.853 nan 8.370 nan 0.000 0.499 11 A N 5.109 127.768 122.820 -0.268 0.000 2.015 11 A HA -0.145 4.175 4.320 -0.000 0.000 0.219 11 A C 2.036 179.176 177.584 -0.741 0.000 1.163 11 A CA 0.741 52.429 52.037 -0.581 0.000 0.646 11 A CB -0.312 18.271 19.000 -0.695 0.000 0.806 11 A HN 0.601 nan 8.150 nan 0.000 0.448 12 M N -0.540 118.868 119.600 -0.320 0.000 2.159 12 M HA -0.190 4.290 4.480 -0.000 0.000 0.263 12 M C 2.205 178.466 176.300 -0.065 0.000 1.063 12 M CA 1.748 56.998 55.300 -0.083 0.000 1.110 12 M CB -1.456 31.165 32.600 0.036 0.000 1.374 12 M HN 0.704 nan 8.290 nan 0.000 0.411 13 Q N -0.086 119.649 119.800 -0.109 0.000 2.050 13 Q HA -0.176 4.164 4.340 -0.000 0.000 0.202 13 Q C 2.287 178.242 176.000 -0.075 0.000 0.980 13 Q CA 2.306 58.064 55.803 -0.076 0.000 0.840 13 Q CB 0.012 28.701 28.738 -0.082 0.000 0.898 13 Q HN 0.585 nan 8.270 nan 0.000 0.424 14 C N 0.316 119.531 119.300 -0.141 0.000 2.398 14 C HA -0.170 4.290 4.460 -0.000 0.000 0.276 14 C C 2.381 177.438 174.990 0.112 0.000 1.222 14 C CA 0.429 59.423 59.018 -0.040 0.000 1.746 14 C CB -1.564 26.070 27.740 -0.176 0.000 2.039 14 C HN 0.521 nan 8.230 nan 0.000 0.470 15 F N 1.484 121.454 119.950 0.032 0.000 2.269 15 F HA -0.090 4.437 4.527 -0.000 0.000 0.301 15 F C 2.089 177.892 175.800 0.006 0.000 1.082 15 F CA 1.084 59.103 58.000 0.032 0.000 1.360 15 F CB -1.255 37.757 39.000 0.020 0.000 1.041 15 F HN 0.285 nan 8.300 nan 0.000 0.512 16 D N -0.901 119.596 120.400 0.162 0.000 2.221 16 D HA -0.153 4.487 4.640 -0.000 0.000 0.204 16 D C 2.164 178.465 176.300 0.002 0.000 0.982 16 D CA 1.186 55.222 54.000 0.060 0.000 0.857 16 D CB -0.241 40.570 40.800 0.018 0.000 0.934 16 D HN 0.293 nan 8.370 nan 0.000 0.475 17 C N -1.018 118.256 119.300 -0.044 0.000 2.689 17 C HA 0.104 4.564 4.460 -0.000 0.000 0.336 17 C C 1.004 175.875 174.990 -0.197 0.000 1.304 17 C CA -0.351 58.559 59.018 -0.179 0.000 1.860 17 C CB -0.277 27.254 27.740 -0.348 0.000 2.405 17 C HN 0.301 nan 8.230 nan 0.000 0.557 18 H N 2.184 121.315 119.070 0.101 0.000 2.652 18 H HA 0.142 4.698 4.556 -0.000 0.000 0.233 18 H C 1.438 176.833 175.328 0.112 0.000 1.762 18 H CA 0.487 56.603 56.048 0.114 0.000 1.285 18 H CB 0.104 29.934 29.762 0.113 0.000 1.668 18 H HN 0.548 nan 8.280 nan 0.000 0.550 19 T N -1.460 113.169 114.554 0.124 0.000 2.821 19 T HA -0.176 4.174 4.350 -0.000 0.000 0.267 19 T C 1.686 176.397 174.700 0.018 0.000 1.046 19 T CA 0.897 63.021 62.100 0.040 0.000 1.139 19 T CB 0.221 69.094 68.868 0.008 0.000 0.871 19 T HN 0.402 nan 8.240 nan 0.000 0.454 20 Q N 0.617 120.452 119.800 0.060 0.000 2.084 20 Q HA 0.009 4.348 4.340 -0.000 0.000 0.202 20 Q C 2.354 178.397 176.000 0.073 0.000 0.978 20 Q CA 1.113 56.940 55.803 0.041 0.000 0.844 20 Q CB -0.368 28.377 28.738 0.012 0.000 0.898 20 Q HN 0.440 nan 8.270 nan 0.000 0.426 21 I N 1.247 121.881 120.570 0.106 0.000 2.252 21 I HA -0.230 3.940 4.170 -0.000 0.000 0.245 21 I C 2.343 178.454 176.117 -0.010 0.000 1.102 21 I CA 1.419 62.743 61.300 0.040 0.000 1.385 21 I CB -1.218 36.736 38.000 -0.078 0.000 1.064 21 I HN 0.367 nan 8.210 nan 0.000 0.414 22 E N 1.150 121.226 120.200 -0.206 0.000 2.085 22 E HA -0.267 4.083 4.350 -0.000 0.000 0.194 22 E C 1.629 177.992 176.600 -0.395 0.000 0.994 22 E CA 1.696 57.597 56.400 -0.832 0.000 0.801 22 E CB 0.103 29.278 29.700 -0.875 0.000 0.743 22 E HN 0.389 nan 8.360 nan 0.000 0.453 23 D N -0.197 120.096 120.400 -0.179 0.000 2.144 23 D HA -0.150 4.489 4.640 -0.000 0.000 0.199 23 D C 1.987 178.269 176.300 -0.030 0.000 0.984 23 D CA 1.143 55.088 54.000 -0.093 0.000 0.834 23 D CB -0.098 40.670 40.800 -0.053 0.000 0.955 23 D HN 0.352 nan 8.370 nan 0.000 0.465 24 M N -0.767 118.848 119.600 0.025 0.000 2.160 24 M HA -0.083 4.397 4.480 -0.000 0.000 0.264 24 M C 2.278 178.656 176.300 0.131 0.000 1.073 24 M CA 0.911 56.270 55.300 0.098 0.000 1.142 24 M CB -0.329 32.378 32.600 0.177 0.000 1.358 24 M HN 0.092 nan 8.290 nan 0.000 0.422 25 H N 0.605 119.722 119.070 0.078 0.000 2.357 25 H HA -0.100 4.456 4.556 -0.000 0.000 0.301 25 H C 1.924 177.316 175.328 0.107 0.000 1.082 25 H CA 2.224 58.373 56.048 0.167 0.000 1.342 25 H CB 0.026 29.971 29.762 0.304 0.000 1.389 25 H HN 0.415 nan 8.280 nan 0.000 0.511 26 T N -1.763 112.851 114.554 0.101 0.000 3.007 26 T HA -0.008 4.342 4.350 -0.000 0.000 0.270 26 T C 2.014 176.726 174.700 0.020 0.000 1.107 26 T CA 1.020 63.161 62.100 0.069 0.000 1.118 26 T CB -0.451 68.390 68.868 -0.045 0.000 0.889 26 T HN 0.108 nan 8.240 nan 0.000 0.506 27 V N 0.398 120.313 119.914 0.002 0.000 3.263 27 V HA 0.378 4.498 4.120 -0.000 0.000 0.248 27 V C 1.930 178.021 176.094 -0.005 0.000 1.145 27 V CA 0.557 62.857 62.300 -0.001 0.000 1.107 27 V CB -0.173 31.648 31.823 -0.002 0.000 0.797 27 V HN 0.671 nan 8.190 nan 0.000 0.467 28 G N -0.592 108.200 108.800 -0.015 0.000 2.510 28 G HA2 0.208 4.168 3.960 -0.000 0.000 0.280 28 G HA3 0.208 4.168 3.960 -0.000 0.000 0.280 28 G C 0.447 175.325 174.900 -0.037 0.000 1.386 28 G CA -0.369 44.716 45.100 -0.026 0.000 1.047 28 G HN 0.225 nan 8.290 nan 0.000 0.527 29 K N -0.969 119.398 120.400 -0.054 0.000 2.444 29 K HA 0.078 4.398 4.320 -0.000 0.000 0.193 29 K C 0.785 177.422 176.600 0.061 0.000 1.024 29 K CA 0.205 56.480 56.287 -0.021 0.000 1.077 29 K CB 0.097 32.573 32.500 -0.039 0.000 0.833 29 K HN 0.539 nan 8.250 nan 0.000 0.517 30 H N -0.874 118.135 119.070 -0.101 0.000 2.487 30 H HA 0.207 4.763 4.556 -0.000 0.000 0.290 30 H C 1.461 176.565 175.328 -0.372 0.000 1.081 30 H CA -0.363 55.596 56.048 -0.148 0.000 1.116 30 H CB 0.743 30.453 29.762 -0.086 0.000 1.560 30 H HN 0.182 nan 8.280 nan 0.000 0.548 31 A N 0.664 123.372 122.820 -0.187 0.000 2.024 31 A HA -0.167 4.152 4.320 -0.000 0.000 0.220 31 A C 2.350 179.962 177.584 0.048 0.000 1.164 31 A CA 1.942 53.869 52.037 -0.184 0.000 0.643 31 A CB -0.560 18.432 19.000 -0.014 0.000 0.806 31 A HN 0.473 nan 8.150 nan 0.000 0.451 32 T N -3.524 111.060 114.554 0.051 0.000 3.086 32 T HA 0.336 4.686 4.350 -0.000 0.000 0.250 32 T C 0.184 174.947 174.700 0.106 0.000 1.074 32 T CA 0.163 62.320 62.100 0.096 0.000 0.988 32 T CB -0.240 68.660 68.868 0.053 0.000 0.988 32 T HN -0.023 nan 8.240 nan 0.000 0.530 33 V N 3.482 123.461 119.914 0.107 0.000 2.385 33 V HA 0.281 4.401 4.120 -0.000 0.000 0.269 33 V C 0.536 176.786 176.094 0.260 0.000 1.043 33 V CA -1.250 61.088 62.300 0.065 0.000 0.906 33 V CB 0.622 32.318 31.823 -0.210 0.000 0.995 33 V HN 0.520 nan 8.190 nan 0.000 0.467 34 N N 2.970 121.813 118.700 0.238 0.000 2.508 34 N HA 0.020 4.760 4.740 -0.000 0.000 0.264 34 N C 1.186 176.799 175.510 0.172 0.000 1.216 34 N CA -0.325 52.832 53.050 0.178 0.000 0.943 34 N CB 1.413 39.966 38.487 0.109 0.000 1.113 34 N HN 0.782 nan 8.380 nan 0.000 0.447 35 C N 1.685 121.024 119.300 0.065 0.000 2.410 35 C HA -0.096 4.364 4.460 -0.000 0.000 0.281 35 C C 2.634 177.681 174.990 0.096 0.000 1.318 35 C CA -0.008 59.075 59.018 0.109 0.000 1.776 35 C CB -1.256 26.502 27.740 0.029 0.000 1.942 35 C HN 0.677 nan 8.230 nan 0.000 0.508 36 V N 0.704 120.622 119.914 0.007 0.000 2.913 36 V HA -0.186 3.934 4.120 -0.000 0.000 0.260 36 V C 2.470 178.479 176.094 -0.141 0.000 1.098 36 V CA 1.746 64.005 62.300 -0.068 0.000 1.121 36 V CB -0.878 30.870 31.823 -0.124 0.000 0.714 36 V HN 0.623 nan 8.190 nan 0.000 0.487 37 H N -1.094 117.944 119.070 -0.053 0.000 2.457 37 H HA -0.106 4.450 4.556 -0.000 0.000 0.297 37 H C 1.889 177.139 175.328 -0.129 0.000 1.092 37 H CA 1.947 57.941 56.048 -0.090 0.000 1.309 37 H CB 0.053 29.753 29.762 -0.104 0.000 1.382 37 H HN 0.557 nan 8.280 nan 0.000 0.535 38 C N -0.837 118.409 119.300 -0.090 0.000 3.882 38 C HA 0.221 4.681 4.460 -0.000 0.000 0.340 38 C C 0.253 174.982 174.990 -0.435 0.000 1.563 38 C CA -0.422 58.422 59.018 -0.290 0.000 1.870 38 C CB 0.332 27.815 27.740 -0.428 0.000 2.795 38 C HN 0.408 nan 8.230 nan 0.000 0.692 39 H N 1.008 120.067 119.070 -0.018 0.000 2.667 39 H HA 0.359 4.915 4.556 -0.000 0.000 0.353 39 H C -1.680 173.630 175.328 -0.028 0.000 1.072 39 H CA -0.158 55.873 56.048 -0.028 0.000 1.214 39 H CB 1.728 31.471 29.762 -0.032 0.000 1.600 39 H HN 0.067 nan 8.280 nan 0.000 0.527 40 D N 2.258 122.716 120.400 0.096 0.000 2.473 40 D HA 0.360 5.000 4.640 -0.000 0.000 0.226 40 D C 0.074 176.413 176.300 0.064 0.000 1.089 40 D CA -0.456 53.576 54.000 0.053 0.000 0.883 40 D CB 0.563 41.380 40.800 0.029 0.000 1.029 40 D HN 0.617 nan 8.370 nan 0.000 0.517 41 A N 2.965 125.826 122.820 0.069 0.000 2.538 41 A HA 0.163 4.483 4.320 -0.000 0.000 0.269 41 A C 1.743 179.380 177.584 0.089 0.000 1.231 41 A CA -0.177 51.923 52.037 0.106 0.000 0.948 41 A CB 0.043 19.120 19.000 0.128 0.000 1.110 41 A HN 0.502 nan 8.150 nan 0.000 0.529 42 T N 0.562 115.143 114.554 0.046 0.000 2.635 42 T HA -0.200 4.150 4.350 -0.000 0.000 0.267 42 T C 1.680 176.396 174.700 0.027 0.000 1.040 42 T CA 2.091 64.204 62.100 0.021 0.000 1.156 42 T CB -0.177 68.697 68.868 0.009 0.000 0.863 42 T HN 0.662 nan 8.240 nan 0.000 0.430 43 E N -0.326 119.899 120.200 0.043 0.000 2.106 43 E HA -0.162 4.188 4.350 -0.000 0.000 0.192 43 E C 2.140 178.782 176.600 0.069 0.000 0.984 43 E CA 0.970 57.396 56.400 0.042 0.000 0.806 43 E CB -0.204 29.519 29.700 0.039 0.000 0.750 43 E HN 0.564 nan 8.360 nan 0.000 0.458 44 H N 0.995 120.061 119.070 -0.007 0.000 2.289 44 H HA -0.125 4.431 4.556 -0.000 0.000 0.296 44 H C 1.962 177.284 175.328 -0.009 0.000 1.091 44 H CA 1.819 57.864 56.048 -0.006 0.000 1.274 44 H CB -0.409 29.352 29.762 -0.002 0.000 1.364 44 H HN -0.067 nan 8.280 nan 0.000 0.490 45 V N 0.573 120.409 119.914 -0.129 0.000 2.594 45 V HA -0.196 3.924 4.120 -0.000 0.000 0.253 45 V C 2.277 178.288 176.094 -0.139 0.000 1.069 45 V CA 2.063 64.237 62.300 -0.211 0.000 1.082 45 V CB -0.425 31.331 31.823 -0.112 0.000 0.680 45 V HN 0.471 nan 8.190 nan 0.000 0.469 46 E N -0.455 119.699 120.200 -0.076 0.000 2.358 46 E HA -0.098 4.252 4.350 -0.000 0.000 0.195 46 E C 2.088 178.656 176.600 -0.054 0.000 1.010 46 E CA 1.098 57.466 56.400 -0.054 0.000 0.856 46 E CB 0.032 29.715 29.700 -0.028 0.000 0.795 46 E HN 1.022 nan 8.360 nan 0.000 0.504 47 T N -3.423 111.094 114.554 -0.063 0.000 2.975 47 T HA 0.521 4.871 4.350 -0.000 0.000 0.261 47 T C 0.888 175.553 174.700 -0.059 0.000 0.984 47 T CA 0.287 62.362 62.100 -0.042 0.000 0.911 47 T CB 0.495 69.361 68.868 -0.004 0.000 1.127 47 T HN 0.259 nan 8.240 nan 0.000 0.514 48 A N 2.112 124.853 122.820 -0.131 0.000 2.332 48 A HA 0.730 5.050 4.320 -0.000 0.000 0.258 48 A C 0.629 178.147 177.584 -0.110 0.000 1.087 48 A CA -0.161 51.793 52.037 -0.138 0.000 0.802 48 A CB 0.405 19.195 19.000 -0.350 0.000 1.042 48 A HN 0.778 nan 8.150 nan 0.000 0.489 49 S N -0.752 114.902 115.700 -0.078 0.000 2.715 49 S HA 0.493 4.963 4.470 -0.000 0.000 0.307 49 S C 0.873 175.423 174.600 -0.083 0.000 1.119 49 S CA 0.148 58.303 58.200 -0.076 0.000 0.937 49 S CB 1.127 64.297 63.200 -0.050 0.000 1.150 49 S HN 1.540 nan 8.310 nan 0.000 0.521 50 S N 0.017 115.667 115.700 -0.083 0.000 2.507 50 S HA 0.031 4.501 4.470 -0.000 0.000 0.235 50 S C 1.146 175.710 174.600 -0.060 0.000 0.988 50 S CA 0.313 58.457 58.200 -0.092 0.000 0.944 50 S CB -0.527 62.626 63.200 -0.079 0.000 0.762 50 S HN 0.739 nan 8.310 nan 0.000 0.526 51 R N 0.121 120.597 120.500 -0.041 0.000 2.476 51 R HA 0.391 4.731 4.340 -0.000 0.000 0.276 51 R C 0.187 176.479 176.300 -0.014 0.000 0.941 51 R CA -0.142 55.944 56.100 -0.023 0.000 1.088 51 R CB 0.602 30.889 30.300 -0.021 0.000 1.216 51 R HN 0.207 nan 8.270 nan 0.000 0.533 52 R N 0.946 121.440 120.500 -0.011 0.000 2.549 52 R HA 0.177 4.517 4.340 -0.000 0.000 0.291 52 R C 0.422 176.739 176.300 0.027 0.000 1.164 52 R CA -0.186 55.915 56.100 0.001 0.000 0.973 52 R CB 1.059 31.355 30.300 -0.007 0.000 1.210 52 R HN 0.015 nan 8.270 nan 0.000 0.422 53 M N 2.862 122.496 119.600 0.057 0.000 2.144 53 M HA -0.097 4.382 4.480 -0.000 0.000 0.260 53 M C 1.034 177.436 176.300 0.170 0.000 1.067 53 M CA 2.711 58.098 55.300 0.146 0.000 1.095 53 M CB -0.219 32.429 32.600 0.081 0.000 1.365 53 M HN 0.960 nan 8.290 nan 0.000 0.406 54 G N 0.273 109.121 108.800 0.080 0.000 2.528 54 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.262 54 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.262 54 G C -0.754 174.200 174.900 0.090 0.000 1.200 54 G CA 0.049 45.189 45.100 0.067 0.000 0.951 54 G HN 0.515 nan 8.290 nan 0.000 0.566 55 E N 1.344 121.605 120.200 0.101 0.000 2.414 55 E HA 0.216 4.566 4.350 -0.000 0.000 0.263 55 E C 1.094 177.744 176.600 0.084 0.000 1.000 55 E CA -0.176 56.272 56.400 0.080 0.000 0.914 55 E CB 0.649 30.391 29.700 0.070 0.000 0.948 55 E HN 0.561 nan 8.360 nan 0.000 0.444 56 R N 4.490 124.994 120.500 0.007 0.000 2.370 56 R HA 0.113 4.453 4.340 -0.000 0.000 0.309 56 R C -1.942 174.310 176.300 -0.079 0.000 1.059 56 R CA -1.188 54.870 56.100 -0.071 0.000 0.981 56 R CB 0.301 30.572 30.300 -0.048 0.000 0.972 56 R HN 0.253 nan 8.270 nan 0.000 0.437 57 P HA 0.021 nan 4.420 nan 0.000 0.272 57 P C -0.788 176.492 177.300 -0.033 0.000 1.223 57 P CA -0.264 62.776 63.100 -0.100 0.000 0.784 57 P CB 0.958 32.528 31.700 -0.216 0.000 0.923 58 V N 2.320 122.250 119.914 0.026 0.000 2.465 58 V HA 0.272 4.392 4.120 -0.000 0.000 0.279 58 V C 0.669 176.813 176.094 0.084 0.000 1.045 58 V CA 0.048 62.377 62.300 0.047 0.000 0.938 58 V CB 1.035 32.882 31.823 0.041 0.000 0.986 58 V HN 0.574 nan 8.190 nan 0.000 0.467 59 T N 5.518 120.119 114.554 0.079 0.000 2.779 59 T HA 0.409 4.759 4.350 -0.000 0.000 0.280 59 T C 0.063 174.752 174.700 -0.018 0.000 0.987 59 T CA -0.562 61.569 62.100 0.050 0.000 0.966 59 T CB 0.785 69.705 68.868 0.086 0.000 0.933 59 T HN 0.534 nan 8.240 nan 0.000 0.442 60 R N 2.933 123.380 120.500 -0.088 0.000 2.347 60 R HA 0.242 4.582 4.340 -0.000 0.000 0.304 60 R C 0.356 176.640 176.300 -0.027 0.000 1.072 60 R CA -0.202 55.871 56.100 -0.046 0.000 0.980 60 R CB 0.454 30.709 30.300 -0.075 0.000 0.986 60 R HN 0.484 nan 8.270 nan 0.000 0.448 61 M N 1.177 120.818 119.600 0.069 0.000 2.313 61 M HA 0.013 4.493 4.480 -0.000 0.000 0.273 61 M C -0.309 176.001 176.300 0.017 0.000 1.049 61 M CA 0.173 55.600 55.300 0.212 0.000 1.004 61 M CB 0.257 33.061 32.600 0.339 0.000 1.461 61 M HN 0.502 nan 8.290 nan 0.000 0.514 62 D N 0.159 120.388 120.400 -0.286 0.000 2.372 62 D HA 0.017 4.657 4.640 -0.000 0.000 0.243 62 D C 0.741 176.867 176.300 -0.290 0.000 1.121 62 D CA -0.141 53.422 54.000 -0.729 0.000 0.898 62 D CB 1.494 41.962 40.800 -0.553 0.000 1.202 62 D HN 0.025 nan 8.370 nan 0.000 0.428 63 L N 1.250 122.343 121.223 -0.215 0.000 2.275 63 L HA -0.109 4.231 4.340 -0.000 0.000 0.215 63 L C 2.341 179.162 176.870 -0.082 0.000 1.119 63 L CA 1.296 56.121 54.840 -0.024 0.000 0.790 63 L CB -0.815 41.348 42.059 0.175 0.000 0.919 63 L HN 0.511 nan 8.230 nan 0.000 0.443 64 E N -0.310 119.767 120.200 -0.204 0.000 2.409 64 E HA -0.124 4.226 4.350 -0.000 0.000 0.198 64 E C 2.247 178.709 176.600 -0.230 0.000 1.024 64 E CA 0.623 56.801 56.400 -0.371 0.000 0.861 64 E CB -0.086 29.416 29.700 -0.329 0.000 0.788 64 E HN 0.532 nan 8.360 nan 0.000 0.521 65 A N 0.413 123.148 122.820 -0.141 0.000 1.933 65 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 65 A C 2.223 179.756 177.584 -0.085 0.000 1.175 65 A CA 1.132 53.117 52.037 -0.087 0.000 0.628 65 A CB -0.436 18.530 19.000 -0.056 0.000 0.814 65 A HN 0.380 nan 8.150 nan 0.000 0.444 66 C N -1.561 117.698 119.300 -0.068 0.000 2.551 66 C HA 0.423 4.883 4.460 -0.000 0.000 0.277 66 C C 3.035 177.988 174.990 -0.062 0.000 1.349 66 C CA -0.081 58.932 59.018 -0.008 0.000 1.750 66 C CB -0.923 26.869 27.740 0.087 0.000 2.058 66 C HN 0.691 nan 8.230 nan 0.000 0.518 67 A N 1.987 124.693 122.820 -0.190 0.000 2.067 67 A HA -0.121 4.199 4.320 -0.000 0.000 0.219 67 A C 2.210 179.646 177.584 -0.247 0.000 1.158 67 A CA 2.205 54.062 52.037 -0.300 0.000 0.661 67 A CB -0.898 17.565 19.000 -0.895 0.000 0.801 67 A HN 0.669 nan 8.150 nan 0.000 0.452 68 T N -2.690 111.729 114.554 -0.226 0.000 2.821 68 T HA -0.167 4.183 4.350 -0.000 0.000 0.267 68 T C 1.652 176.220 174.700 -0.220 0.000 1.046 68 T CA 1.597 63.583 62.100 -0.190 0.000 1.139 68 T CB -0.777 68.012 68.868 -0.131 0.000 0.871 68 T HN 0.448 nan 8.240 nan 0.000 0.454 69 C N 0.548 119.653 119.300 -0.325 0.000 2.912 69 C HA 0.275 4.735 4.460 -0.000 0.000 0.274 69 C C 0.816 175.480 174.990 -0.544 0.000 1.248 69 C CA -0.553 58.186 59.018 -0.466 0.000 1.694 69 C CB -0.876 26.467 27.740 -0.662 0.000 2.024 69 C HN 0.581 nan 8.230 nan 0.000 0.605 70 H N 0.202 119.201 119.070 -0.118 0.000 2.624 70 H HA 0.167 4.723 4.556 -0.000 0.000 0.233 70 H C 1.057 176.326 175.328 -0.097 0.000 1.376 70 H CA -0.125 55.855 56.048 -0.113 0.000 1.137 70 H CB -0.096 29.601 29.762 -0.109 0.000 1.867 70 H HN 0.169 nan 8.280 nan 0.000 0.547 71 T N 0.329 114.863 114.554 -0.034 0.000 2.720 71 T HA -0.179 4.171 4.350 -0.000 0.000 0.268 71 T C 2.298 176.996 174.700 -0.003 0.000 1.037 71 T CA 1.574 63.669 62.100 -0.009 0.000 1.144 71 T CB 0.142 68.981 68.868 -0.048 0.000 0.864 71 T HN 0.554 nan 8.240 nan 0.000 0.444 72 A N 1.227 123.950 122.820 -0.162 0.000 1.902 72 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 72 A C 2.314 179.755 177.584 -0.239 0.000 1.181 72 A CA 1.669 53.476 52.037 -0.384 0.000 0.623 72 A CB -0.648 17.764 19.000 -0.981 0.000 0.818 72 A HN 0.433 nan 8.150 nan 0.000 0.443 73 Q N -1.473 118.220 119.800 -0.178 0.000 2.079 73 Q HA -0.047 4.293 4.340 -0.000 0.000 0.200 73 Q C 1.798 177.772 176.000 -0.044 0.000 0.974 73 Q CA 1.636 57.316 55.803 -0.206 0.000 0.840 73 Q CB -0.513 27.894 28.738 -0.553 0.000 0.898 73 Q HN 0.745 nan 8.270 nan 0.000 0.430 74 F N 1.147 121.044 119.950 -0.088 0.000 2.102 74 F HA -0.192 4.335 4.527 -0.000 0.000 0.298 74 F C 1.594 177.444 175.800 0.084 0.000 1.105 74 F CA 1.286 59.298 58.000 0.021 0.000 1.239 74 F CB -0.136 38.859 39.000 -0.009 0.000 0.991 74 F HN 0.050 nan 8.300 nan 0.000 0.474 75 N N 0.378 119.173 118.700 0.157 0.000 2.166 75 N HA -0.168 4.572 4.740 -0.000 0.000 0.186 75 N C 2.148 177.634 175.510 -0.040 0.000 1.019 75 N CA 1.675 54.744 53.050 0.031 0.000 0.856 75 N CB -0.684 37.861 38.487 0.097 0.000 0.993 75 N HN 0.485 nan 8.380 nan 0.000 0.426 76 S N 0.041 115.769 115.700 0.047 0.000 2.383 76 S HA -0.117 4.353 4.470 -0.000 0.000 0.227 76 S C 1.981 176.604 174.600 0.038 0.000 1.026 76 S CA 0.496 58.748 58.200 0.087 0.000 0.981 76 S CB -0.873 62.471 63.200 0.240 0.000 0.818 76 S HN 0.348 nan 8.310 nan 0.000 0.472 77 F N 3.866 123.778 119.950 -0.062 0.000 2.095 77 F HA -0.109 4.418 4.527 -0.000 0.000 0.298 77 F C 2.193 177.854 175.800 -0.231 0.000 1.104 77 F CA 1.743 59.681 58.000 -0.102 0.000 1.232 77 F CB -0.507 38.418 39.000 -0.124 0.000 0.987 77 F HN 0.174 nan 8.300 nan 0.000 0.475 78 V N -1.652 117.891 119.914 -0.619 0.000 3.461 78 V HA 0.068 4.188 4.120 -0.000 0.000 0.267 78 V C 0.598 176.385 176.094 -0.511 0.000 1.186 78 V CA 0.060 61.925 62.300 -0.725 0.000 1.154 78 V CB -1.295 30.140 31.823 -0.648 0.000 0.802 78 V HN 0.229 nan 8.190 nan 0.000 0.474 79 E N 1.040 121.018 120.200 -0.370 0.000 2.502 79 E HA 0.172 4.522 4.350 -0.000 0.000 0.261 79 E C -0.629 175.774 176.600 -0.329 0.000 0.974 79 E CA 0.028 56.265 56.400 -0.271 0.000 0.936 79 E CB 1.321 30.911 29.700 -0.183 0.000 0.926 79 E HN 0.363 nan 8.360 nan 0.000 0.459 80 V N 4.160 123.880 119.914 -0.322 0.000 2.407 80 V HA 0.141 4.261 4.120 -0.000 0.000 0.278 80 V C 0.439 176.262 176.094 -0.451 0.000 1.037 80 V CA -0.397 61.694 62.300 -0.348 0.000 0.900 80 V CB 1.204 32.858 31.823 -0.283 0.000 0.983 80 V HN 0.556 nan 8.190 nan 0.000 0.459 81 R N 3.081 123.404 120.500 -0.295 0.000 2.325 81 R HA 0.198 4.538 4.340 -0.000 0.000 0.323 81 R C 0.761 176.920 176.300 -0.234 0.000 1.177 81 R CA -0.078 55.874 56.100 -0.246 0.000 1.018 81 R CB -0.056 30.146 30.300 -0.163 0.000 1.070 81 R HN 0.822 nan 8.270 nan 0.000 0.495 82 H N 1.841 120.874 119.070 -0.062 0.000 2.456 82 H HA -0.104 4.452 4.556 -0.000 0.000 0.296 82 H C 0.887 176.129 175.328 -0.144 0.000 1.079 82 H CA 1.424 57.425 56.048 -0.079 0.000 1.322 82 H CB 0.495 30.219 29.762 -0.063 0.000 1.388 82 H HN 0.640 nan 8.280 nan 0.000 0.538 83 E N 0.301 120.455 120.200 -0.076 0.000 2.338 83 E HA -0.010 4.340 4.350 -0.000 0.000 0.197 83 E C 0.291 176.696 176.600 -0.326 0.000 1.007 83 E CA 0.316 56.593 56.400 -0.204 0.000 0.849 83 E CB 0.294 29.908 29.700 -0.144 0.000 0.774 83 E HN 0.125 nan 8.360 nan 0.000 0.506 84 S N 2.091 117.672 115.700 -0.199 0.000 2.498 84 S HA 0.050 4.520 4.470 -0.000 0.000 0.314 84 S C -0.388 174.138 174.600 -0.123 0.000 1.141 84 S CA -0.384 57.727 58.200 -0.149 0.000 1.087 84 S CB -0.255 62.891 63.200 -0.091 0.000 1.178 84 S HN 0.248 nan 8.310 nan 0.000 0.533 85 H N 4.601 123.643 119.070 -0.047 0.000 3.167 85 H HA 0.039 4.595 4.556 -0.000 0.000 0.306 85 H C -2.095 173.194 175.328 -0.065 0.000 0.965 85 H CA -0.626 55.393 56.048 -0.049 0.000 1.408 85 H CB -0.250 29.482 29.762 -0.050 0.000 1.406 85 H HN 0.384 nan 8.280 nan 0.000 0.576 86 P HA 0.175 nan 4.420 nan 0.000 0.290 86 P C 0.071 177.361 177.300 -0.017 0.000 1.275 86 P CA -0.733 62.338 63.100 -0.048 0.000 0.841 86 P CB 1.171 32.794 31.700 -0.128 0.000 1.042 87 R N 0.005 120.490 120.500 -0.025 0.000 3.516 87 R HA -0.170 4.170 4.340 -0.000 0.000 0.271 87 R C -0.932 175.373 176.300 0.008 0.000 1.098 87 R CA 0.323 56.428 56.100 0.009 0.000 0.732 87 R CB -2.429 27.900 30.300 0.049 0.000 1.152 87 R HN 0.531 nan 8.270 nan 0.000 0.455 88 L N 1.221 122.435 121.223 -0.015 0.000 2.255 88 L HA 0.331 4.671 4.340 -0.000 0.000 0.289 88 L C 0.251 177.083 176.870 -0.062 0.000 1.046 88 L CA -0.650 54.168 54.840 -0.037 0.000 0.816 88 L CB 0.834 42.861 42.059 -0.054 0.000 1.197 88 L HN 0.204 nan 8.230 nan 0.000 0.427 89 E N 3.859 124.036 120.200 -0.039 0.000 2.376 89 E HA -0.012 4.338 4.350 -0.000 0.000 0.266 89 E C 0.447 177.008 176.600 -0.066 0.000 1.009 89 E CA 0.488 56.870 56.400 -0.031 0.000 0.902 89 E CB 1.042 30.756 29.700 0.024 0.000 0.972 89 E HN 0.510 nan 8.360 nan 0.000 0.439 90 K N 3.102 123.423 120.400 -0.130 0.000 2.217 90 K HA 0.047 4.367 4.320 -0.000 0.000 0.202 90 K C 0.727 177.298 176.600 -0.048 0.000 1.051 90 K CA 0.926 57.108 56.287 -0.174 0.000 0.952 90 K CB 0.169 32.421 32.500 -0.414 0.000 0.736 90 K HN 0.503 nan 8.250 nan 0.000 0.453 91 A N 2.245 125.104 122.820 0.066 0.000 2.916 91 A HA 0.045 4.365 4.320 -0.000 0.000 0.254 91 A C 0.164 177.826 177.584 0.130 0.000 1.544 91 A CA -0.053 52.107 52.037 0.204 0.000 1.224 91 A CB -0.829 18.391 19.000 0.366 0.000 1.012 91 A HN 0.261 nan 8.150 nan 0.000 0.636 92 T N -4.863 109.736 114.554 0.075 0.000 2.916 92 T HA 0.587 4.937 4.350 -0.000 0.000 0.292 92 T C -2.527 172.205 174.700 0.052 0.000 1.055 92 T CA -1.842 60.288 62.100 0.050 0.000 1.009 92 T CB 1.910 70.786 68.868 0.014 0.000 1.118 92 T HN -0.071 nan 8.240 nan 0.000 0.497 93 P HA 0.044 nan 4.420 nan 0.000 0.226 93 P C 1.250 178.576 177.300 0.045 0.000 1.153 93 P CA 0.821 63.952 63.100 0.051 0.000 0.777 93 P CB -0.094 31.627 31.700 0.034 0.000 0.794 94 T N -5.881 108.677 114.554 0.008 0.000 3.105 94 T HA 0.254 4.604 4.350 -0.000 0.000 0.253 94 T C 0.884 175.548 174.700 -0.060 0.000 1.047 94 T CA -0.183 61.901 62.100 -0.027 0.000 0.944 94 T CB -0.142 68.693 68.868 -0.056 0.000 1.016 94 T HN -0.068 nan 8.240 nan 0.000 0.544 95 S N -0.028 115.653 115.700 -0.031 0.000 2.816 95 S HA 0.453 4.923 4.470 -0.000 0.000 0.253 95 S C 1.220 175.821 174.600 0.002 0.000 1.055 95 S CA -0.809 57.355 58.200 -0.060 0.000 1.032 95 S CB 0.930 64.082 63.200 -0.080 0.000 1.270 95 S HN 0.087 nan 8.310 nan 0.000 0.587 96 R N 0.714 121.209 120.500 -0.010 0.000 2.161 96 R HA 0.223 4.563 4.340 -0.000 0.000 0.213 96 R C 0.395 176.803 176.300 0.180 0.000 1.055 96 R CA 0.473 56.610 56.100 0.061 0.000 0.996 96 R CB -0.732 29.545 30.300 -0.037 0.000 0.901 96 R HN 0.396 nan 8.270 nan 0.000 0.456 97 S N 0.654 116.439 115.700 0.141 0.000 2.312 97 S HA 0.333 4.803 4.470 -0.000 0.000 0.173 97 S C -2.253 172.507 174.600 0.266 0.000 1.488 97 S CA -1.388 56.973 58.200 0.267 0.000 1.239 97 S CB 1.120 64.486 63.200 0.276 0.000 1.215 97 S HN -0.150 nan 8.310 nan 0.000 0.438 98 P HA 0.005 nan 4.420 nan 0.000 0.219 98 P C 0.657 178.053 177.300 0.159 0.000 1.146 98 P CA 1.227 64.420 63.100 0.156 0.000 0.808 98 P CB 0.087 31.856 31.700 0.116 0.000 0.779 99 M N -3.188 116.517 119.600 0.175 0.000 2.673 99 M HA 0.184 4.664 4.480 -0.000 0.000 0.334 99 M C 0.756 177.176 176.300 0.201 0.000 1.211 99 M CA -0.331 55.041 55.300 0.120 0.000 0.962 99 M CB -0.098 32.505 32.600 0.006 0.000 1.343 99 M HN -0.175 nan 8.290 nan 0.000 0.511 100 F N 1.964 122.013 119.950 0.166 0.000 2.126 100 F HA -0.237 4.290 4.527 -0.000 0.000 0.299 100 F C 1.896 177.813 175.800 0.196 0.000 1.096 100 F CA 1.865 60.024 58.000 0.265 0.000 1.255 100 F CB -0.013 39.166 39.000 0.298 0.000 0.997 100 F HN 0.273 nan 8.300 nan 0.000 0.479 101 D N 0.035 120.527 120.400 0.154 0.000 2.117 101 D HA -0.223 4.417 4.640 -0.000 0.000 0.197 101 D C 2.259 178.537 176.300 -0.035 0.000 0.987 101 D CA 1.360 55.362 54.000 0.002 0.000 0.829 101 D CB -0.225 40.596 40.800 0.034 0.000 0.961 101 D HN 0.313 nan 8.370 nan 0.000 0.460 102 K N 0.258 120.665 120.400 0.013 0.000 2.057 102 K HA -0.144 4.176 4.320 -0.000 0.000 0.206 102 K C 2.102 178.778 176.600 0.126 0.000 1.050 102 K CA 0.698 57.005 56.287 0.034 0.000 0.935 102 K CB 0.032 32.536 32.500 0.006 0.000 0.715 102 K HN -0.041 nan 8.250 nan 0.000 0.439 103 L N 0.529 121.791 121.223 0.066 0.000 2.179 103 L HA -0.024 4.316 4.340 -0.000 0.000 0.208 103 L C 1.918 178.995 176.870 0.346 0.000 1.096 103 L CA 1.073 55.995 54.840 0.137 0.000 0.779 103 L CB -0.178 41.746 42.059 -0.226 0.000 0.922 103 L HN 0.200 nan 8.230 nan 0.000 0.443 104 I N -0.537 120.051 120.570 0.029 0.000 3.883 104 I HA 0.244 4.414 4.170 -0.000 0.000 0.326 104 I C 1.111 177.146 176.117 -0.137 0.000 1.283 104 I CA -0.355 60.878 61.300 -0.112 0.000 1.161 104 I CB -0.456 37.050 38.000 -0.823 0.000 1.012 104 I HN 0.026 nan 8.210 nan 0.000 0.421 105 A N 0.406 123.124 122.820 -0.169 0.000 2.580 105 A HA 0.385 4.705 4.320 -0.000 0.000 0.244 105 A C 1.564 179.010 177.584 -0.230 0.000 1.045 105 A CA 0.879 52.757 52.037 -0.265 0.000 0.761 105 A CB -0.807 18.014 19.000 -0.299 0.000 0.962 105 A HN 0.946 nan 8.150 nan 0.000 0.512 106 G N 0.823 109.560 108.800 -0.105 0.000 2.238 106 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.217 106 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.217 106 G C 0.255 175.166 174.900 0.018 0.000 0.996 106 G CA 0.329 45.463 45.100 0.055 0.000 0.632 106 G HN 1.242 nan 8.290 nan 0.000 0.503 107 H N 0.886 119.709 119.070 -0.412 0.000 2.479 107 H HA 0.492 5.048 4.556 -0.000 0.000 0.335 107 H C 1.649 176.902 175.328 -0.124 0.000 1.142 107 H CA 0.376 56.078 56.048 -0.577 0.000 1.234 107 H CB 1.362 30.339 29.762 -1.307 0.000 1.503 107 H HN 0.149 nan 8.280 nan 0.000 0.510 108 G N 2.935 111.522 108.800 -0.354 0.000 2.479 108 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.220 108 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.220 108 G C 1.011 176.189 174.900 0.464 0.000 1.115 108 G CA 0.130 45.317 45.100 0.145 0.000 0.757 108 G HN 0.511 nan 8.290 nan 0.000 0.560 109 F N 1.719 121.856 119.950 0.312 0.000 2.333 109 F HA 0.083 4.610 4.527 -0.000 0.000 0.300 109 F C 2.811 178.772 175.800 0.268 0.000 1.083 109 F CA 0.067 58.247 58.000 0.300 0.000 1.395 109 F CB -0.369 38.800 39.000 0.281 0.000 1.056 109 F HN 0.246 nan 8.300 nan 0.000 0.529 110 A N -0.724 122.241 122.820 0.241 0.000 2.024 110 A HA -0.190 4.130 4.320 -0.000 0.000 0.220 110 A C 1.987 179.526 177.584 -0.076 0.000 1.164 110 A CA 1.298 53.336 52.037 0.000 0.000 0.643 110 A CB -1.224 17.637 19.000 -0.231 0.000 0.806 110 A HN 0.324 nan 8.150 nan 0.000 0.451 111 F N -0.913 119.101 119.950 0.108 0.000 2.259 111 F HA 0.149 4.676 4.527 -0.000 0.000 0.298 111 F C 1.055 176.904 175.800 0.082 0.000 1.088 111 F CA 1.480 59.524 58.000 0.074 0.000 1.358 111 F CB 0.267 39.291 39.000 0.040 0.000 1.040 111 F HN 0.353 nan 8.300 nan 0.000 0.505 112 E N -1.389 118.957 120.200 0.244 0.000 2.935 112 E HA 0.122 4.472 4.350 -0.000 0.000 0.321 112 E C -1.867 174.815 176.600 0.135 0.000 1.070 112 E CA -0.514 55.989 56.400 0.171 0.000 0.882 112 E CB 0.512 30.290 29.700 0.129 0.000 1.224 112 E HN 0.036 nan 8.360 nan 0.000 0.445 113 H N 2.558 121.639 119.070 0.018 0.000 3.239 113 H HA 0.665 5.221 4.556 -0.000 0.000 0.320 113 H C -1.652 173.642 175.328 -0.057 0.000 1.074 113 H CA 0.303 56.297 56.048 -0.089 0.000 1.553 113 H CB 0.987 30.770 29.762 0.036 0.000 1.752 113 H HN 0.592 nan 8.280 nan 0.000 0.513 114 A N 3.945 126.692 122.820 -0.121 0.000 2.269 114 A HA 0.471 4.791 4.320 -0.000 0.000 0.319 114 A C 0.035 177.473 177.584 -0.244 0.000 1.110 114 A CA -0.762 51.182 52.037 -0.155 0.000 0.847 114 A CB 0.659 19.628 19.000 -0.052 0.000 1.161 114 A HN 0.813 nan 8.150 nan 0.000 0.497 115 E N 1.425 121.514 120.200 -0.186 0.000 2.404 115 E HA 0.219 4.569 4.350 -0.000 0.000 0.261 115 E C -2.047 174.506 176.600 -0.079 0.000 1.074 115 E CA -1.234 55.076 56.400 -0.150 0.000 0.917 115 E CB 0.092 29.733 29.700 -0.098 0.000 0.965 115 E HN 0.491 nan 8.360 nan 0.000 0.433 116 P HA 0.047 nan 4.420 nan 0.000 0.272 116 P C -0.755 176.529 177.300 -0.026 0.000 1.223 116 P CA 0.098 63.185 63.100 -0.022 0.000 0.784 116 P CB 0.871 32.564 31.700 -0.011 0.000 0.923 117 R N -0.293 120.202 120.500 -0.009 0.000 3.150 117 R HA 0.617 4.957 4.340 -0.000 0.000 0.236 117 R C -0.308 176.000 176.300 0.014 0.000 1.469 117 R CA -0.983 55.113 56.100 -0.007 0.000 1.045 117 R CB -0.197 30.094 30.300 -0.016 0.000 1.481 117 R HN 0.218 nan 8.270 nan 0.000 0.506 118 S N 0.208 115.938 115.700 0.050 0.000 2.558 118 S HA -0.032 4.438 4.470 -0.000 0.000 0.288 118 S C 0.812 175.403 174.600 -0.016 0.000 1.318 118 S CA -0.168 58.001 58.200 -0.053 0.000 1.056 118 S CB 0.061 63.210 63.200 -0.085 0.000 0.853 118 S HN 0.622 nan 8.310 nan 0.000 0.505 119 H N 1.683 120.658 119.070 -0.159 0.000 2.426 119 H HA -0.189 4.367 4.556 -0.000 0.000 0.298 119 H C 2.263 177.464 175.328 -0.212 0.000 1.107 119 H CA 1.001 56.973 56.048 -0.128 0.000 1.298 119 H CB -0.055 29.695 29.762 -0.021 0.000 1.377 119 H HN 0.751 nan 8.280 nan 0.000 0.519 120 A N 0.653 123.230 122.820 -0.404 0.000 1.986 120 A HA -0.194 4.126 4.320 -0.000 0.000 0.220 120 A C 1.440 178.768 177.584 -0.426 0.000 1.171 120 A CA 1.454 53.165 52.037 -0.544 0.000 0.640 120 A CB -0.605 17.872 19.000 -0.870 0.000 0.811 120 A HN 0.350 nan 8.150 nan 0.000 0.451 121 F N -0.102 119.815 119.950 -0.055 0.000 2.727 121 F HA 0.142 4.669 4.527 -0.000 0.000 0.302 121 F C 2.152 177.927 175.800 -0.042 0.000 1.097 121 F CA 0.435 58.423 58.000 -0.020 0.000 1.330 121 F CB -0.616 38.391 39.000 0.011 0.000 1.084 121 F HN 0.326 nan 8.300 nan 0.000 0.578 122 M N -1.193 118.455 119.600 0.081 0.000 2.108 122 M HA -0.173 4.307 4.480 -0.000 0.000 0.261 122 M C 1.947 178.184 176.300 -0.104 0.000 1.066 122 M CA 1.919 57.223 55.300 0.006 0.000 1.107 122 M CB -0.726 31.854 32.600 -0.034 0.000 1.356 122 M HN 0.260 nan 8.290 nan 0.000 0.406 123 L N 1.627 122.734 121.223 -0.194 0.000 2.044 123 L HA -0.044 4.296 4.340 -0.000 0.000 0.205 123 L C 2.649 179.215 176.870 -0.508 0.000 1.075 123 L CA 1.568 56.145 54.840 -0.438 0.000 0.747 123 L CB -0.616 41.166 42.059 -0.461 0.000 0.903 123 L HN 0.404 nan 8.230 nan 0.000 0.435 124 V N -3.097 116.662 119.914 -0.259 0.000 2.407 124 V HA -0.220 3.900 4.120 -0.000 0.000 0.248 124 V C 2.084 178.068 176.094 -0.184 0.000 1.055 124 V CA 2.052 64.208 62.300 -0.240 0.000 1.049 124 V CB -1.113 30.613 31.823 -0.162 0.000 0.662 124 V HN 0.359 nan 8.190 nan 0.000 0.455 125 D N -0.110 120.268 120.400 -0.037 0.000 2.149 125 D HA -0.116 4.524 4.640 -0.000 0.000 0.201 125 D C 2.023 178.314 176.300 -0.015 0.000 0.972 125 D CA 1.901 55.910 54.000 0.014 0.000 0.835 125 D CB -0.421 40.420 40.800 0.069 0.000 0.966 125 D HN 0.793 nan 8.370 nan 0.000 0.476 126 H N -0.072 118.913 119.070 -0.142 0.000 2.319 126 H HA -0.156 4.400 4.556 -0.000 0.000 0.299 126 H C 1.713 177.092 175.328 0.085 0.000 1.092 126 H CA 1.614 57.591 56.048 -0.118 0.000 1.302 126 H CB -0.402 29.174 29.762 -0.309 0.000 1.373 126 H HN 0.001 nan 8.280 nan 0.000 0.497 127 F N 0.073 119.920 119.950 -0.170 0.000 2.171 127 F HA -0.092 4.435 4.527 -0.000 0.000 0.300 127 F C 2.670 178.444 175.800 -0.043 0.000 1.090 127 F CA 1.359 59.231 58.000 -0.214 0.000 1.293 127 F CB -0.765 37.914 39.000 -0.535 0.000 1.013 127 F HN 0.324 nan 8.300 nan 0.000 0.486 128 V N -3.190 116.750 119.914 0.044 0.000 3.590 128 V HA 0.234 4.354 4.120 -0.000 0.000 0.265 128 V C 0.879 176.997 176.094 0.039 0.000 1.239 128 V CA -0.169 62.129 62.300 -0.004 0.000 1.117 128 V CB -0.569 31.142 31.823 -0.186 0.000 0.818 128 V HN -0.083 nan 8.190 nan 0.000 0.451 129 V N 2.483 122.421 119.914 0.040 0.000 2.763 129 V HA 0.053 4.173 4.120 -0.000 0.000 0.306 129 V C 1.563 177.686 176.094 0.047 0.000 1.059 129 V CA 0.840 63.162 62.300 0.036 0.000 1.138 129 V CB 0.981 32.806 31.823 0.003 0.000 0.940 129 V HN 0.555 nan 8.190 nan 0.000 0.489 130 D N 4.022 124.462 120.400 0.066 0.000 2.263 130 D HA -0.145 4.495 4.640 -0.000 0.000 0.208 130 D C 1.961 178.285 176.300 0.040 0.000 0.971 130 D CA 1.587 55.635 54.000 0.080 0.000 0.867 130 D CB -0.008 40.876 40.800 0.140 0.000 0.929 130 D HN 0.809 nan 8.370 nan 0.000 0.492 131 R N 0.008 120.523 120.500 0.025 0.000 2.299 131 R HA 0.317 4.657 4.340 -0.000 0.000 0.197 131 R C 1.577 177.814 176.300 -0.104 0.000 0.971 131 R CA 0.717 56.805 56.100 -0.020 0.000 1.030 131 R CB 0.181 30.487 30.300 0.009 0.000 0.932 131 R HN 0.025 nan 8.270 nan 0.000 0.477 132 A N 0.492 123.249 122.820 -0.104 0.000 1.909 132 A HA 0.152 4.472 4.320 -0.000 0.000 0.209 132 A C 0.457 177.795 177.584 -0.410 0.000 1.247 132 A CA 0.280 52.165 52.037 -0.253 0.000 0.660 132 A CB 0.083 18.949 19.000 -0.222 0.000 0.910 132 A HN 0.380 nan 8.150 nan 0.000 0.465 133 Y N -0.713 119.553 120.300 -0.058 0.000 2.721 133 Y HA 0.429 4.979 4.550 -0.000 0.000 0.251 133 Y C 1.339 177.189 175.900 -0.083 0.000 1.136 133 Y CA -0.186 57.865 58.100 -0.081 0.000 1.142 133 Y CB 0.567 38.940 38.460 -0.146 0.000 1.212 133 Y HN 0.458 nan 8.280 nan 0.000 0.565 134 G N 0.333 109.150 108.800 0.027 0.000 2.203 134 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.263 134 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.263 134 G C 1.261 176.238 174.900 0.129 0.000 1.012 134 G CA 0.556 45.682 45.100 0.043 0.000 0.749 134 G HN 1.292 nan 8.290 nan 0.000 0.512 135 G N -0.891 107.950 108.800 0.068 0.000 2.159 135 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.256 135 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.256 135 G C 1.160 175.990 174.900 -0.117 0.000 0.977 135 G CA 1.423 46.543 45.100 0.033 0.000 0.652 135 G HN 1.228 nan 8.290 nan 0.000 0.531 136 R N -0.673 119.667 120.500 -0.266 0.000 2.083 136 R HA 0.050 4.390 4.340 -0.000 0.000 0.237 136 R C 0.521 176.408 176.300 -0.688 0.000 1.137 136 R CA 1.285 56.877 56.100 -0.848 0.000 0.951 136 R CB -0.183 29.523 30.300 -0.989 0.000 0.851 136 R HN 0.318 nan 8.270 nan 0.000 0.434 137 F N 1.173 120.979 119.950 -0.239 0.000 2.404 137 F HA 0.412 4.939 4.527 -0.000 0.000 0.339 137 F C 0.087 175.747 175.800 -0.233 0.000 1.105 137 F CA -0.604 57.250 58.000 -0.243 0.000 1.087 137 F CB 1.485 40.309 39.000 -0.294 0.000 1.143 137 F HN -0.008 nan 8.300 nan 0.000 0.491 138 Q N 1.778 121.545 119.800 -0.055 0.000 2.456 138 Q HA 0.393 4.733 4.340 -0.000 0.000 0.284 138 Q C -1.039 174.821 176.000 -0.233 0.000 1.061 138 Q CA -0.985 54.718 55.803 -0.168 0.000 0.799 138 Q CB 2.509 31.159 28.738 -0.147 0.000 1.445 138 Q HN 0.429 nan 8.270 nan 0.000 0.411 139 F N 1.353 121.170 119.950 -0.222 0.000 2.553 139 F HA 0.008 4.535 4.527 -0.000 0.000 0.356 139 F C 1.890 177.579 175.800 -0.185 0.000 1.142 139 F CA 0.591 58.468 58.000 -0.204 0.000 1.322 139 F CB 0.472 39.321 39.000 -0.250 0.000 1.126 139 F HN 0.414 nan 8.300 nan 0.000 0.599 140 K N 0.754 121.210 120.400 0.093 0.000 2.152 140 K HA -0.170 4.150 4.320 -0.000 0.000 0.206 140 K C -0.043 176.563 176.600 0.010 0.000 1.048 140 K CA 1.610 57.919 56.287 0.036 0.000 0.933 140 K CB -0.296 32.236 32.500 0.055 0.000 0.721 140 K HN 0.773 nan 8.250 nan 0.000 0.447 141 N N -3.231 115.474 118.700 0.008 0.000 3.106 141 N HA 0.057 4.797 4.740 -0.000 0.000 0.253 141 N C -0.636 174.839 175.510 -0.058 0.000 1.506 141 N CA -0.865 52.176 53.050 -0.016 0.000 0.876 141 N CB -0.349 38.176 38.487 0.062 0.000 1.452 141 N HN -0.135 nan 8.380 nan 0.000 0.542 142 W N -0.242 121.063 121.300 0.008 0.000 2.595 142 W HA 0.111 4.771 4.660 -0.000 0.000 0.257 142 W C 1.631 178.087 176.519 -0.104 0.000 1.267 142 W CA 0.353 57.670 57.345 -0.047 0.000 1.300 142 W CB -0.074 29.366 29.460 -0.033 0.000 1.120 142 W HN 0.574 nan 8.180 nan 0.000 0.618 143 Q N 0.266 120.127 119.800 0.102 0.000 2.167 143 Q HA -0.139 4.201 4.340 -0.000 0.000 0.202 143 Q C 1.920 177.885 176.000 -0.058 0.000 0.970 143 Q CA 0.825 56.642 55.803 0.024 0.000 0.855 143 Q CB -0.245 28.514 28.738 0.034 0.000 0.911 143 Q HN 0.030 nan 8.270 nan 0.000 0.438 144 K N 0.729 121.070 120.400 -0.098 0.000 2.442 144 K HA -0.070 4.250 4.320 -0.000 0.000 0.198 144 K C 2.049 178.396 176.600 -0.423 0.000 1.042 144 K CA 0.843 57.056 56.287 -0.124 0.000 0.958 144 K CB -0.505 32.028 32.500 0.055 0.000 0.766 144 K HN 0.308 nan 8.250 nan 0.000 0.474 145 V N -0.255 119.240 119.914 -0.698 0.000 2.867 145 V HA -0.164 3.956 4.120 -0.000 0.000 0.260 145 V C 1.945 177.771 176.094 -0.447 0.000 1.099 145 V CA 2.136 63.882 62.300 -0.924 0.000 1.122 145 V CB -1.442 29.977 31.823 -0.672 0.000 0.708 145 V HN 0.332 nan 8.190 nan 0.000 0.490 146 T N -3.483 110.977 114.554 -0.156 0.000 3.081 146 T HA 0.061 4.411 4.350 -0.000 0.000 0.255 146 T C 0.821 175.682 174.700 0.268 0.000 1.113 146 T CA 0.630 62.765 62.100 0.058 0.000 1.082 146 T CB -0.313 68.580 68.868 0.041 0.000 0.939 146 T HN 0.470 nan 8.240 nan 0.000 0.506 147 D N 1.575 122.119 120.400 0.239 0.000 2.522 147 D HA 0.396 5.036 4.640 -0.000 0.000 0.218 147 D C 1.462 177.840 176.300 0.129 0.000 1.149 147 D CA -0.264 53.842 54.000 0.177 0.000 0.981 147 D CB 0.333 41.201 40.800 0.114 0.000 1.041 147 D HN 0.289 nan 8.370 nan 0.000 0.518 148 G N 2.622 111.372 108.800 -0.084 0.000 2.421 148 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.216 148 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.216 148 G C 1.341 176.036 174.900 -0.342 0.000 1.171 148 G CA 0.716 45.428 45.100 -0.645 0.000 0.775 148 G HN 0.462 nan 8.290 nan 0.000 0.543 149 M N 1.756 121.256 119.600 -0.166 0.000 2.080 149 M HA 0.082 4.562 4.480 -0.000 0.000 0.260 149 M C 2.479 178.781 176.300 0.004 0.000 1.068 149 M CA 2.037 57.303 55.300 -0.056 0.000 1.109 149 M CB -0.963 31.642 32.600 0.009 0.000 1.342 149 M HN 0.138 nan 8.290 nan 0.000 0.405 150 G N -0.714 108.097 108.800 0.017 0.000 2.491 150 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.218 150 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.218 150 G C 1.592 176.514 174.900 0.036 0.000 1.180 150 G CA 1.413 46.542 45.100 0.047 0.000 0.774 150 G HN 0.720 nan 8.290 nan 0.000 0.562 151 A N -0.094 122.736 122.820 0.016 0.000 1.917 151 A HA 0.002 4.322 4.320 -0.000 0.000 0.219 151 A C 2.630 180.201 177.584 -0.022 0.000 1.182 151 A CA 2.075 54.108 52.037 -0.007 0.000 0.633 151 A CB -0.702 18.295 19.000 -0.005 0.000 0.819 151 A HN 0.313 nan 8.150 nan 0.000 0.448 152 V N -0.201 119.704 119.914 -0.015 0.000 2.358 152 V HA -0.243 3.877 4.120 -0.000 0.000 0.246 152 V C 2.593 178.811 176.094 0.206 0.000 1.047 152 V CA 2.144 64.496 62.300 0.086 0.000 1.035 152 V CB -0.767 31.099 31.823 0.072 0.000 0.658 152 V HN 0.532 nan 8.190 nan 0.000 0.452 153 R N 0.101 120.700 120.500 0.164 0.000 2.120 153 R HA 0.093 4.433 4.340 -0.000 0.000 0.234 153 R C 0.894 177.319 176.300 0.209 0.000 1.123 153 R CA 1.057 57.271 56.100 0.189 0.000 0.975 153 R CB -0.132 30.240 30.300 0.121 0.000 0.866 153 R HN 0.571 nan 8.270 nan 0.000 0.446 154 G N -2.252 106.597 108.800 0.081 0.000 2.238 154 G HA2 0.269 4.229 3.960 -0.000 0.000 0.276 154 G HA3 0.269 4.229 3.960 -0.000 0.000 0.276 154 G C 0.018 174.819 174.900 -0.164 0.000 1.744 154 G CA -0.329 44.725 45.100 -0.077 0.000 0.912 154 G HN 0.047 nan 8.290 nan 0.000 0.744 155 A N 0.785 123.395 122.820 -0.349 0.000 1.917 155 A HA -0.033 4.287 4.320 -0.000 0.000 0.219 155 A C 1.789 178.963 177.584 -0.683 0.000 1.182 155 A CA 2.088 53.783 52.037 -0.569 0.000 0.633 155 A CB -0.557 17.971 19.000 -0.788 0.000 0.819 155 A HN 0.968 nan 8.150 nan 0.000 0.448 156 W N 0.297 121.504 121.300 -0.154 0.000 3.077 156 W HA 0.041 4.701 4.660 -0.000 0.000 0.245 156 W C 2.338 178.798 176.519 -0.098 0.000 1.316 156 W CA 0.906 58.144 57.345 -0.178 0.000 1.537 156 W CB -0.339 28.995 29.460 -0.210 0.000 1.131 156 W HN 0.494 nan 8.180 nan 0.000 0.695 157 T N -2.691 111.886 114.554 0.039 0.000 3.055 157 T HA -0.101 4.249 4.350 -0.000 0.000 0.265 157 T C 1.441 176.169 174.700 0.046 0.000 1.111 157 T CA 1.347 63.478 62.100 0.053 0.000 1.118 157 T CB -0.521 68.376 68.868 0.049 0.000 0.909 157 T HN 0.099 nan 8.240 nan 0.000 0.501 158 V N -2.259 117.662 119.914 0.012 0.000 3.556 158 V HA 0.536 4.656 4.120 -0.000 0.000 0.287 158 V C 0.348 176.460 176.094 0.031 0.000 1.422 158 V CA -0.613 61.732 62.300 0.076 0.000 1.038 158 V CB -0.360 31.576 31.823 0.187 0.000 0.850 158 V HN 0.346 nan 8.190 nan 0.000 0.437 159 L N 1.674 122.838 121.223 -0.100 0.000 2.322 159 L HA 0.809 5.149 4.340 -0.000 0.000 0.269 159 L C 0.221 177.126 176.870 0.059 0.000 1.012 159 L CA -0.164 54.582 54.840 -0.156 0.000 0.815 159 L CB 2.156 43.922 42.059 -0.489 0.000 1.295 159 L HN 0.347 nan 8.230 nan 0.000 0.438 160 T N -3.230 111.358 114.554 0.056 0.000 2.924 160 T HA 0.465 4.815 4.350 -0.000 0.000 0.291 160 T C -1.081 173.706 174.700 0.146 0.000 1.045 160 T CA -0.787 61.363 62.100 0.084 0.000 1.015 160 T CB 2.454 71.328 68.868 0.010 0.000 1.103 160 T HN 0.467 nan 8.240 nan 0.000 0.496 161 D N 0.106 120.546 120.400 0.067 0.000 2.391 161 D HA 0.550 5.190 4.640 -0.000 0.000 0.245 161 D C 1.024 177.216 176.300 -0.180 0.000 1.069 161 D CA -0.685 53.328 54.000 0.021 0.000 0.831 161 D CB 1.786 42.579 40.800 -0.011 0.000 1.204 161 D HN 0.672 nan 8.370 nan 0.000 0.503 162 A N 3.584 126.160 122.820 -0.406 0.000 2.019 162 A HA -0.058 4.262 4.320 -0.000 0.000 0.219 162 A C 0.770 178.177 177.584 -0.294 0.000 1.164 162 A CA 1.106 52.873 52.037 -0.452 0.000 0.644 162 A CB 0.044 18.508 19.000 -0.895 0.000 0.805 162 A HN 0.500 nan 8.150 nan 0.000 0.449 163 D N -2.686 117.546 120.400 -0.280 0.000 2.527 163 D HA 0.309 4.949 4.640 -0.000 0.000 0.242 163 D C -2.451 173.816 176.300 -0.055 0.000 1.285 163 D CA -1.498 52.469 54.000 -0.055 0.000 0.886 163 D CB 0.944 41.842 40.800 0.162 0.000 1.402 163 D HN -0.091 nan 8.370 nan 0.000 0.528 164 P HA -0.098 nan 4.420 nan 0.000 0.223 164 P C 0.859 178.136 177.300 -0.037 0.000 1.144 164 P CA 0.821 63.876 63.100 -0.074 0.000 0.783 164 P CB 0.425 32.076 31.700 -0.082 0.000 0.771 165 E N -0.601 119.593 120.200 -0.010 0.000 2.481 165 E HA 0.037 4.387 4.350 -0.000 0.000 0.195 165 E C 0.781 177.393 176.600 0.021 0.000 1.047 165 E CA 0.481 56.885 56.400 0.006 0.000 0.867 165 E CB -0.119 29.588 29.700 0.011 0.000 0.858 165 E HN 0.344 nan 8.360 nan 0.000 0.513 166 S N -0.436 115.286 115.700 0.036 0.000 2.568 166 S HA 0.469 4.939 4.470 -0.000 0.000 0.293 166 S C 0.437 175.070 174.600 0.055 0.000 1.089 166 S CA -0.410 57.820 58.200 0.051 0.000 0.945 166 S CB 2.002 65.244 63.200 0.070 0.000 1.077 166 S HN -0.051 nan 8.310 nan 0.000 0.485 167 S N -0.718 115.020 115.700 0.064 0.000 2.819 167 S HA 0.207 4.677 4.470 -0.000 0.000 0.249 167 S C -0.229 174.429 174.600 0.097 0.000 1.030 167 S CA -0.561 57.688 58.200 0.082 0.000 1.052 167 S CB -0.500 62.757 63.200 0.094 0.000 1.017 167 S HN 0.854 nan 8.310 nan 0.000 0.576 168 D N 1.231 121.678 120.400 0.078 0.000 2.283 168 D HA 0.144 4.784 4.640 -0.000 0.000 0.248 168 D C -0.431 175.914 176.300 0.076 0.000 1.072 168 D CA -0.388 53.652 54.000 0.067 0.000 0.929 168 D CB 0.631 41.449 40.800 0.031 0.000 1.182 168 D HN 0.040 nan 8.370 nan 0.000 0.433 169 Q N 1.079 120.920 119.800 0.068 0.000 2.286 169 Q HA 0.192 4.532 4.340 -0.000 0.000 0.267 169 Q C 0.166 176.164 176.000 -0.003 0.000 1.028 169 Q CA 0.325 56.162 55.803 0.056 0.000 0.901 169 Q CB 1.073 29.830 28.738 0.032 0.000 1.183 169 Q HN 0.633 nan 8.270 nan 0.000 0.392 170 R N 0.862 121.354 120.500 -0.013 0.000 2.752 170 R HA 0.541 4.881 4.340 -0.000 0.000 0.271 170 R C -0.973 175.223 176.300 -0.174 0.000 1.026 170 R CA -0.964 55.050 56.100 -0.142 0.000 0.901 170 R CB 1.340 31.485 30.300 -0.260 0.000 1.243 170 R HN 0.285 nan 8.270 nan 0.000 0.463 171 R N 0.946 121.307 120.500 -0.232 0.000 2.267 171 R HA 0.240 4.580 4.340 -0.000 0.000 0.319 171 R C -0.355 175.766 176.300 -0.299 0.000 1.067 171 R CA -0.146 55.855 56.100 -0.166 0.000 0.936 171 R CB 0.374 30.596 30.300 -0.130 0.000 1.006 171 R HN 0.505 nan 8.270 nan 0.000 0.452 172 F N 1.760 121.670 119.950 -0.067 0.000 2.714 172 F HA 0.190 4.717 4.527 -0.000 0.000 0.294 172 F C 0.605 176.391 175.800 -0.024 0.000 1.120 172 F CA 0.180 58.151 58.000 -0.049 0.000 1.398 172 F CB 0.438 39.398 39.000 -0.067 0.000 1.120 172 F HN 0.176 nan 8.300 nan 0.000 0.589 173 L N -0.692 120.615 121.223 0.140 0.000 2.370 173 L HA 0.292 4.632 4.340 -0.000 0.000 0.266 173 L C 1.412 178.319 176.870 0.062 0.000 1.002 173 L CA -0.553 54.346 54.840 0.099 0.000 0.818 173 L CB 2.041 44.164 42.059 0.108 0.000 1.325 173 L HN -0.068 nan 8.230 nan 0.000 0.418 174 S N 0.584 116.324 115.700 0.066 0.000 2.359 174 S HA -0.131 4.339 4.470 -0.000 0.000 0.224 174 S C 0.864 175.528 174.600 0.106 0.000 1.035 174 S CA 0.810 59.049 58.200 0.065 0.000 1.018 174 S CB -0.092 63.149 63.200 0.069 0.000 0.876 174 S HN 0.653 nan 8.310 nan 0.000 0.448 175 Q N 2.782 122.676 119.800 0.156 0.000 3.035 175 Q HA 0.347 4.687 4.340 -0.000 0.000 0.354 175 Q C -0.191 176.006 176.000 0.329 0.000 1.247 175 Q CA 0.030 56.018 55.803 0.308 0.000 1.068 175 Q CB 0.224 29.117 28.738 0.259 0.000 1.424 175 Q HN 0.805 nan 8.270 nan 0.000 0.486 176 T N -3.122 111.444 114.554 0.020 0.000 2.887 176 T HA 0.919 5.269 4.350 -0.000 0.000 0.292 176 T C -0.422 173.818 174.700 -0.767 0.000 1.087 176 T CA -0.827 61.159 62.100 -0.190 0.000 1.009 176 T CB 2.333 71.163 68.868 -0.063 0.000 1.203 176 T HN 0.178 nan 8.240 nan 0.000 0.518 177 A N 0.455 122.871 122.820 -0.674 0.000 2.437 177 A HA 0.871 5.191 4.320 -0.000 0.000 0.292 177 A C 0.345 177.750 177.584 -0.299 0.000 1.173 177 A CA -0.567 51.088 52.037 -0.636 0.000 0.785 177 A CB 1.227 19.802 19.000 -0.708 0.000 1.351 177 A HN 1.395 nan 8.150 nan 0.000 0.431 178 T N -2.706 111.704 114.554 -0.239 0.000 3.516 178 T HA 0.506 4.856 4.350 -0.000 0.000 0.245 178 T C 0.696 175.294 174.700 -0.171 0.000 1.077 178 T CA 0.496 62.486 62.100 -0.183 0.000 1.222 178 T CB 0.267 69.060 68.868 -0.124 0.000 1.045 178 T HN 1.162 nan 8.240 nan 0.000 0.585 179 A N 1.050 123.771 122.820 -0.164 0.000 2.119 179 A HA 0.608 4.928 4.320 -0.000 0.000 0.217 179 A C 1.612 179.144 177.584 -0.086 0.000 1.153 179 A CA 0.461 52.445 52.037 -0.089 0.000 0.692 179 A CB -0.676 18.314 19.000 -0.016 0.000 0.799 179 A HN 0.980 nan 8.150 nan 0.000 0.458 180 A N 0.632 123.302 122.820 -0.250 0.000 2.445 180 A HA 0.475 4.795 4.320 -0.000 0.000 0.242 180 A C 0.203 177.752 177.584 -0.058 0.000 1.075 180 A CA 0.300 52.201 52.037 -0.227 0.000 0.777 180 A CB -0.160 18.341 19.000 -0.833 0.000 1.013 180 A HN 0.841 nan 8.150 nan 0.000 0.493 181 N N -0.038 118.725 118.700 0.105 0.000 2.934 181 N HA 0.545 5.285 4.740 -0.000 0.000 0.253 181 N C -2.936 172.727 175.510 0.255 0.000 1.466 181 N CA -1.523 51.630 53.050 0.171 0.000 0.858 181 N CB 0.948 39.524 38.487 0.149 0.000 1.459 181 N HN 0.055 nan 8.380 nan 0.000 0.532 182 P HA -0.050 nan 4.420 nan 0.000 0.222 182 P C 1.021 178.464 177.300 0.239 0.000 1.147 182 P CA 0.585 63.922 63.100 0.395 0.000 0.790 182 P CB 0.231 32.110 31.700 0.298 0.000 0.780 183 V N -0.639 119.421 119.914 0.242 0.000 2.358 183 V HA -0.276 3.844 4.120 -0.000 0.000 0.246 183 V C 2.421 178.533 176.094 0.031 0.000 1.047 183 V CA 1.852 64.256 62.300 0.173 0.000 1.035 183 V CB -1.569 30.414 31.823 0.266 0.000 0.658 183 V HN 0.218 nan 8.190 nan 0.000 0.452 184 C N -0.000 119.333 119.300 0.055 0.000 2.385 184 C HA -0.213 4.247 4.460 -0.000 0.000 0.275 184 C C 2.589 177.395 174.990 -0.307 0.000 1.199 184 C CA 0.648 59.623 59.018 -0.071 0.000 1.782 184 C CB -1.363 26.384 27.740 0.011 0.000 2.068 184 C HN 0.454 nan 8.230 nan 0.000 0.471 185 L N 1.504 122.518 121.223 -0.349 0.000 2.265 185 L HA -0.105 4.235 4.340 -0.000 0.000 0.215 185 L C 2.170 178.797 176.870 -0.405 0.000 1.117 185 L CA 1.587 56.108 54.840 -0.532 0.000 0.782 185 L CB -1.493 40.156 42.059 -0.685 0.000 0.914 185 L HN 0.529 nan 8.230 nan 0.000 0.441 186 N N -0.706 117.803 118.700 -0.317 0.000 2.364 186 N HA -0.142 4.598 4.740 -0.000 0.000 0.183 186 N C 1.315 176.730 175.510 -0.159 0.000 1.022 186 N CA 1.079 54.021 53.050 -0.179 0.000 0.883 186 N CB 0.107 38.483 38.487 -0.186 0.000 0.965 186 N HN 0.364 nan 8.380 nan 0.000 0.438 187 C N 0.525 119.692 119.300 -0.221 0.000 2.688 187 C HA 0.297 4.757 4.460 -0.000 0.000 0.297 187 C C 1.535 176.351 174.990 -0.290 0.000 1.308 187 C CA -0.380 58.494 59.018 -0.240 0.000 1.726 187 C CB -0.334 27.237 27.740 -0.283 0.000 1.982 187 C HN 0.227 nan 8.230 nan 0.000 0.604 188 K N -0.377 119.834 120.400 -0.316 0.000 2.511 188 K HA 0.224 4.544 4.320 -0.000 0.000 0.206 188 K C 0.510 176.939 176.600 -0.285 0.000 1.333 188 K CA 0.609 56.691 56.287 -0.341 0.000 0.957 188 K CB 0.740 32.931 32.500 -0.514 0.000 1.172 188 K HN 0.346 nan 8.250 nan 0.000 0.547 189 T N -0.263 114.152 114.554 -0.232 0.000 2.830 189 T HA 0.260 4.610 4.350 -0.000 0.000 0.322 189 T C -1.362 173.310 174.700 -0.047 0.000 1.501 189 T CA -0.333 61.675 62.100 -0.153 0.000 1.036 189 T CB 1.367 70.145 68.868 -0.150 0.000 1.379 189 T HN -0.169 nan 8.240 nan 0.000 0.493 190 Q N 1.606 121.362 119.800 -0.074 0.000 2.115 190 Q HA 0.193 4.533 4.340 -0.000 0.000 0.249 190 Q C 0.083 176.132 176.000 0.082 0.000 0.830 190 Q CA -0.165 55.575 55.803 -0.105 0.000 1.104 190 Q CB 0.849 29.537 28.738 -0.084 0.000 1.207 190 Q HN 0.648 nan 8.270 nan 0.000 0.464 191 D N 0.468 120.982 120.400 0.191 0.000 2.228 191 D HA -0.163 4.477 4.640 -0.000 0.000 0.203 191 D C 1.403 177.874 176.300 0.285 0.000 0.988 191 D CA 1.274 55.440 54.000 0.276 0.000 0.864 191 D CB 0.113 41.048 40.800 0.225 0.000 0.928 191 D HN 0.499 nan 8.370 nan 0.000 0.469 192 H N -0.589 118.604 119.070 0.206 0.000 2.524 192 H HA 0.160 4.716 4.556 -0.000 0.000 0.280 192 H C 1.989 177.509 175.328 0.319 0.000 1.018 192 H CA -0.228 56.028 56.048 0.345 0.000 1.165 192 H CB -0.775 29.276 29.762 0.481 0.000 1.411 192 H HN 0.182 nan 8.280 nan 0.000 0.569 193 I N 0.961 121.467 120.570 -0.107 0.000 2.423 193 I HA -0.226 3.944 4.170 -0.000 0.000 0.254 193 I C 1.253 177.407 176.117 0.062 0.000 1.151 193 I CA 1.007 62.251 61.300 -0.092 0.000 1.421 193 I CB 0.165 38.141 38.000 -0.041 0.000 1.079 193 I HN 0.210 nan 8.210 nan 0.000 0.431 194 L N -0.118 121.194 121.223 0.148 0.000 2.628 194 L HA 0.124 4.464 4.340 -0.000 0.000 0.229 194 L C 0.467 177.593 176.870 0.428 0.000 1.137 194 L CA 0.045 55.035 54.840 0.251 0.000 0.909 194 L CB -0.122 42.026 42.059 0.147 0.000 1.137 194 L HN 0.140 nan 8.230 nan 0.000 0.470 195 D N -1.121 119.558 120.400 0.465 0.000 2.527 195 D HA 0.052 4.692 4.640 -0.000 0.000 0.224 195 D C -0.544 176.120 176.300 0.606 0.000 1.217 195 D CA 0.121 54.432 54.000 0.519 0.000 0.819 195 D CB 0.956 42.081 40.800 0.543 0.000 1.061 195 D HN 0.173 nan 8.370 nan 0.000 0.515 196 W N 2.157 123.616 121.300 0.265 0.000 2.830 196 W HA 0.598 5.258 4.660 -0.000 0.000 0.335 196 W C -1.361 175.016 176.519 -0.237 0.000 1.043 196 W CA -0.870 56.561 57.345 0.142 0.000 1.239 196 W CB 1.246 30.904 29.460 0.331 0.000 1.378 196 W HN -0.224 nan 8.180 nan 0.000 0.456 197 A N 4.796 127.305 122.820 -0.518 0.000 2.351 197 A HA 0.182 4.502 4.320 -0.000 0.000 0.257 197 A C -0.980 176.303 177.584 -0.503 0.000 1.087 197 A CA -0.368 51.269 52.037 -0.668 0.000 0.798 197 A CB 0.136 18.977 19.000 -0.265 0.000 1.033 197 A HN 0.659 nan 8.150 nan 0.000 0.488 198 Y N 2.431 122.499 120.300 -0.386 0.000 2.916 198 Y HA -0.044 4.506 4.550 -0.000 0.000 0.344 198 Y C 1.112 176.911 175.900 -0.167 0.000 1.282 198 Y CA 1.636 59.633 58.100 -0.173 0.000 1.604 198 Y CB -0.042 38.354 38.460 -0.105 0.000 1.207 198 Y HN 0.732 nan 8.280 nan 0.000 0.561 199 M N 3.011 122.347 119.600 -0.440 0.000 2.920 199 M HA -0.257 4.223 4.480 -0.000 0.000 0.186 199 M C 1.145 177.291 176.300 -0.256 0.000 0.634 199 M CA 1.469 56.570 55.300 -0.330 0.000 0.709 199 M CB -2.503 29.863 32.600 -0.391 0.000 2.552 199 M HN 1.472 nan 8.290 nan 0.000 0.289 200 G N 0.588 108.918 108.800 -0.783 0.000 2.147 200 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.244 200 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.244 200 G C -0.175 174.336 174.900 -0.649 0.000 1.005 200 G CA 0.501 44.738 45.100 -1.439 0.000 0.713 200 G HN 0.541 nan 8.290 nan 0.000 0.515 201 D N 1.008 121.176 120.400 -0.386 0.000 2.400 201 D HA 0.337 4.977 4.640 -0.000 0.000 0.238 201 D C 0.970 177.184 176.300 -0.143 0.000 1.157 201 D CA -0.000 53.892 54.000 -0.179 0.000 0.889 201 D CB 0.528 41.286 40.800 -0.069 0.000 1.199 201 D HN 0.260 nan 8.370 nan 0.000 0.436 202 E N 1.096 121.254 120.200 -0.070 0.000 2.442 202 E HA 0.040 4.390 4.350 -0.000 0.000 0.262 202 E C 0.094 176.732 176.600 0.065 0.000 1.004 202 E CA 0.758 57.146 56.400 -0.020 0.000 0.928 202 E CB 0.387 30.075 29.700 -0.022 0.000 0.937 202 E HN 0.384 nan 8.360 nan 0.000 0.446 203 H N 0.852 119.914 119.070 -0.014 0.000 3.123 203 H HA 0.040 4.596 4.556 -0.000 0.000 0.346 203 H C 0.336 175.676 175.328 0.020 0.000 1.138 203 H CA -0.095 55.977 56.048 0.040 0.000 1.273 203 H CB 1.078 30.926 29.762 0.144 0.000 1.926 203 H HN 0.293 nan 8.280 nan 0.000 0.524 204 E N 2.202 122.451 120.200 0.082 0.000 2.171 204 E HA -0.117 4.233 4.350 -0.000 0.000 0.197 204 E C 1.715 178.387 176.600 0.119 0.000 0.997 204 E CA 1.304 57.745 56.400 0.068 0.000 0.810 204 E CB -0.153 29.536 29.700 -0.019 0.000 0.738 204 E HN 0.572 nan 8.360 nan 0.000 0.467 205 A N -0.176 122.816 122.820 0.287 0.000 2.238 205 A HA 0.570 4.890 4.320 -0.000 0.000 0.210 205 A C 1.424 178.934 177.584 -0.123 0.000 1.179 205 A CA 0.456 52.423 52.037 -0.115 0.000 0.827 205 A CB 0.110 18.791 19.000 -0.532 0.000 0.856 205 A HN 0.359 nan 8.150 nan 0.000 0.488 206 A N 0.142 123.043 122.820 0.136 0.000 2.276 206 A HA 0.471 4.791 4.320 -0.000 0.000 0.300 206 A C 1.015 178.604 177.584 0.009 0.000 1.235 206 A CA -0.260 51.898 52.037 0.202 0.000 0.867 206 A CB 0.392 19.525 19.000 0.221 0.000 1.137 206 A HN 0.369 nan 8.150 nan 0.000 0.527 207 K N 1.780 122.128 120.400 -0.086 0.000 2.097 207 K HA -0.062 4.258 4.320 -0.000 0.000 0.205 207 K C -0.489 175.768 176.600 -0.571 0.000 1.050 207 K CA 1.069 57.085 56.287 -0.453 0.000 0.938 207 K CB 0.053 32.166 32.500 -0.645 0.000 0.718 207 K HN 0.785 nan 8.250 nan 0.000 0.442 208 W N -0.203 121.145 121.300 0.081 0.000 2.864 208 W HA 0.317 4.977 4.660 -0.000 0.000 0.343 208 W C -0.339 176.130 176.519 -0.084 0.000 1.109 208 W CA -0.922 56.391 57.345 -0.053 0.000 1.192 208 W CB 1.798 31.099 29.460 -0.265 0.000 1.426 208 W HN -0.076 nan 8.180 nan 0.000 0.529 209 S N -0.246 115.511 115.700 0.095 0.000 2.727 209 S HA 0.452 4.922 4.470 -0.000 0.000 0.278 209 S C 0.447 175.019 174.600 -0.047 0.000 1.186 209 S CA -1.051 56.991 58.200 -0.265 0.000 0.836 209 S CB 1.515 64.600 63.200 -0.193 0.000 1.186 209 S HN 0.582 nan 8.310 nan 0.000 0.499 210 R N 0.403 120.823 120.500 -0.132 0.000 2.170 210 R HA -0.055 4.285 4.340 -0.000 0.000 0.242 210 R C 1.580 177.946 176.300 0.109 0.000 1.145 210 R CA 1.870 58.033 56.100 0.105 0.000 0.984 210 R CB -0.818 29.516 30.300 0.055 0.000 0.869 210 R HN 0.886 nan 8.270 nan 0.000 0.455 211 T N -2.774 111.818 114.554 0.063 0.000 3.105 211 T HA 0.179 4.529 4.350 -0.000 0.000 0.253 211 T C 0.568 175.334 174.700 0.109 0.000 1.047 211 T CA -0.439 61.706 62.100 0.075 0.000 0.944 211 T CB 0.343 69.235 68.868 0.041 0.000 1.016 211 T HN -0.122 nan 8.240 nan 0.000 0.544 212 S N 2.469 118.258 115.700 0.149 0.000 2.576 212 S HA 0.164 4.634 4.470 -0.000 0.000 0.272 212 S C 0.292 175.030 174.600 0.229 0.000 1.352 212 S CA -0.504 57.834 58.200 0.229 0.000 1.021 212 S CB 0.350 63.768 63.200 0.364 0.000 0.887 212 S HN 0.373 nan 8.310 nan 0.000 0.542 213 E N 1.765 122.123 120.200 0.264 0.000 2.220 213 E HA 0.033 4.383 4.350 -0.000 0.000 0.272 213 E C 0.985 177.755 176.600 0.283 0.000 1.099 213 E CA -0.039 56.505 56.400 0.239 0.000 0.907 213 E CB 0.736 30.570 29.700 0.222 0.000 1.022 213 E HN 0.435 nan 8.360 nan 0.000 0.428 214 V N 4.852 124.938 119.914 0.287 0.000 2.490 214 V HA -0.245 3.875 4.120 -0.000 0.000 0.250 214 V C 1.811 178.153 176.094 0.415 0.000 1.061 214 V CA 1.533 64.067 62.300 0.389 0.000 1.064 214 V CB 0.083 32.134 31.823 0.380 0.000 0.670 214 V HN 0.536 nan 8.190 nan 0.000 0.461 215 V N 0.061 120.189 119.914 0.356 0.000 2.343 215 V HA -0.175 3.945 4.120 -0.000 0.000 0.247 215 V C 2.642 178.838 176.094 0.171 0.000 1.051 215 V CA 2.202 64.682 62.300 0.301 0.000 1.036 215 V CB -0.666 31.280 31.823 0.205 0.000 0.654 215 V HN 0.585 nan 8.190 nan 0.000 0.451 216 E N -0.528 119.780 120.200 0.180 0.000 2.072 216 E HA -0.183 4.167 4.350 -0.000 0.000 0.191 216 E C 2.088 178.684 176.600 -0.008 0.000 0.985 216 E CA 1.124 57.629 56.400 0.176 0.000 0.801 216 E CB -0.390 29.535 29.700 0.376 0.000 0.750 216 E HN 0.560 nan 8.360 nan 0.000 0.452 217 F N 2.088 121.739 119.950 -0.499 0.000 2.095 217 F HA -0.206 4.321 4.527 -0.000 0.000 0.298 217 F C 2.298 177.790 175.800 -0.514 0.000 1.104 217 F CA 1.301 58.599 58.000 -1.170 0.000 1.232 217 F CB -0.891 37.634 39.000 -0.792 0.000 0.987 217 F HN -0.034 nan 8.300 nan 0.000 0.475 218 A N 0.623 123.324 122.820 -0.199 0.000 1.917 218 A HA -0.264 4.056 4.320 -0.000 0.000 0.219 218 A C 2.348 179.816 177.584 -0.193 0.000 1.182 218 A CA 2.056 54.002 52.037 -0.153 0.000 0.633 218 A CB -0.851 18.038 19.000 -0.185 0.000 0.819 218 A HN 0.493 nan 8.150 nan 0.000 0.448 219 R N -0.963 119.340 120.500 -0.329 0.000 2.241 219 R HA -0.095 4.245 4.340 -0.000 0.000 0.224 219 R C 0.982 177.132 176.300 -0.250 0.000 1.101 219 R CA 1.221 56.991 56.100 -0.550 0.000 0.995 219 R CB -0.249 29.763 30.300 -0.480 0.000 0.870 219 R HN 0.494 nan 8.270 nan 0.000 0.463 220 D N -0.357 120.000 120.400 -0.071 0.000 2.340 220 D HA 0.108 4.748 4.640 -0.000 0.000 0.220 220 D C -0.402 175.949 176.300 0.086 0.000 1.039 220 D CA 0.373 54.424 54.000 0.086 0.000 0.866 220 D CB 0.423 41.389 40.800 0.276 0.000 0.913 220 D HN 0.015 nan 8.370 nan 0.000 0.523 221 L N -0.310 120.955 121.223 0.069 0.000 2.346 221 L HA 0.473 4.813 4.340 -0.000 0.000 0.274 221 L C 0.518 177.419 176.870 0.051 0.000 1.007 221 L CA -0.525 54.328 54.840 0.021 0.000 0.818 221 L CB 1.969 43.942 42.059 -0.143 0.000 1.284 221 L HN -0.253 nan 8.230 nan 0.000 0.424 222 N N -1.670 116.921 118.700 -0.181 0.000 2.297 222 N HA 0.109 4.849 4.740 -0.000 0.000 0.247 222 N C -0.765 174.435 175.510 -0.517 0.000 1.138 222 N CA -0.325 52.466 53.050 -0.431 0.000 0.813 222 N CB 0.665 38.748 38.487 -0.674 0.000 1.496 222 N HN 0.576 nan 8.380 nan 0.000 0.480 223 H N 0.724 119.769 119.070 -0.043 0.000 2.469 223 H HA 0.397 4.953 4.556 -0.000 0.000 0.342 223 H C -2.491 172.767 175.328 -0.116 0.000 1.115 223 H CA -2.055 53.957 56.048 -0.061 0.000 1.204 223 H CB 1.595 31.342 29.762 -0.025 0.000 1.492 223 H HN 0.036 nan 8.280 nan 0.000 0.499 224 P HA 0.019 nan 4.420 nan 0.000 0.281 224 P C -0.036 177.200 177.300 -0.105 0.000 1.249 224 P CA -0.642 62.419 63.100 -0.066 0.000 0.810 224 P CB 1.195 32.893 31.700 -0.004 0.000 1.008 225 L N 1.063 122.169 121.223 -0.195 0.000 3.965 225 L HA -0.250 4.090 4.340 -0.000 0.000 0.499 225 L C -0.929 175.661 176.870 -0.466 0.000 1.194 225 L CA 0.504 55.155 54.840 -0.315 0.000 0.707 225 L CB -2.468 39.416 42.059 -0.292 0.000 1.414 225 L HN 0.387 nan 8.230 nan 0.000 0.802 226 N N 1.487 119.875 118.700 -0.520 0.000 2.407 226 N HA 0.075 4.815 4.740 -0.000 0.000 0.250 226 N C 1.475 176.537 175.510 -0.747 0.000 1.236 226 N CA 0.476 53.078 53.050 -0.747 0.000 0.879 226 N CB 0.255 37.911 38.487 -1.385 0.000 1.088 226 N HN 0.489 nan 8.380 nan 0.000 0.450 227 C N 0.521 119.497 119.300 -0.539 0.000 2.411 227 C HA -0.149 4.311 4.460 -0.000 0.000 0.279 227 C C 2.028 176.919 174.990 -0.165 0.000 1.288 227 C CA 0.281 59.131 59.018 -0.280 0.000 1.764 227 C CB -1.552 26.140 27.740 -0.080 0.000 1.974 227 C HN 0.885 nan 8.230 nan 0.000 0.498 228 F N -0.251 119.663 119.950 -0.059 0.000 2.771 228 F HA 0.156 4.683 4.527 -0.000 0.000 0.299 228 F C 1.894 177.643 175.800 -0.084 0.000 1.177 228 F CA 0.335 58.307 58.000 -0.047 0.000 1.450 228 F CB -1.408 37.555 39.000 -0.063 0.000 1.114 228 F HN 0.119 nan 8.300 nan 0.000 0.587 229 M N -0.424 119.007 119.600 -0.282 0.000 2.213 229 M HA -0.145 4.335 4.480 -0.000 0.000 0.263 229 M C 1.241 177.456 176.300 -0.141 0.000 1.062 229 M CA 1.301 56.492 55.300 -0.182 0.000 1.105 229 M CB -0.568 31.869 32.600 -0.272 0.000 1.385 229 M HN 0.406 nan 8.290 nan 0.000 0.417 230 C N -1.446 117.710 119.300 -0.240 0.000 3.228 230 C HA 0.213 4.673 4.460 -0.000 0.000 0.290 230 C C 0.367 175.123 174.990 -0.390 0.000 1.301 230 C CA -0.455 58.356 59.018 -0.345 0.000 1.703 230 C CB -0.645 26.782 27.740 -0.521 0.000 2.141 230 C HN 0.329 nan 8.230 nan 0.000 0.656 231 H N 1.007 120.086 119.070 0.015 0.000 2.744 231 H HA 0.272 4.828 4.556 -0.000 0.000 0.339 231 H C -1.389 173.961 175.328 0.036 0.000 1.004 231 H CA -0.520 55.533 56.048 0.008 0.000 1.257 231 H CB 1.062 30.811 29.762 -0.021 0.000 1.552 231 H HN 0.222 nan 8.280 nan 0.000 0.522 232 D N 4.803 125.282 120.400 0.131 0.000 2.417 232 D HA 0.031 4.671 4.640 -0.000 0.000 0.250 232 D C -1.193 175.132 176.300 0.041 0.000 1.166 232 D CA -1.278 52.778 54.000 0.093 0.000 0.881 232 D CB 1.362 42.231 40.800 0.115 0.000 1.164 232 D HN 0.212 nan 8.370 nan 0.000 0.467 233 P HA -0.116 nan 4.420 nan 0.000 0.226 233 P C 0.278 177.589 177.300 0.018 0.000 1.153 233 P CA 1.288 64.349 63.100 -0.064 0.000 0.777 233 P CB 0.190 31.703 31.700 -0.313 0.000 0.794 234 H N -0.159 119.059 119.070 0.246 0.000 2.388 234 H HA 0.035 4.591 4.556 -0.000 0.000 0.304 234 H C 2.284 177.728 175.328 0.193 0.000 1.049 234 H CA 1.579 57.815 56.048 0.314 0.000 1.371 234 H CB -0.100 29.833 29.762 0.285 0.000 1.436 234 H HN 0.165 nan 8.280 nan 0.000 0.544 235 S N -0.032 115.785 115.700 0.194 0.000 2.503 235 S HA 0.299 4.769 4.470 -0.000 0.000 0.217 235 S C 1.735 176.279 174.600 -0.094 0.000 0.999 235 S CA 0.270 58.507 58.200 0.060 0.000 0.914 235 S CB 0.510 63.755 63.200 0.075 0.000 0.782 235 S HN 0.567 nan 8.310 nan 0.000 0.520 236 A N 0.182 122.884 122.820 -0.195 0.000 3.153 236 A HA -0.052 4.268 4.320 -0.000 0.000 0.265 236 A C 0.985 178.488 177.584 -0.134 0.000 1.212 236 A CA 1.004 52.811 52.037 -0.384 0.000 1.018 236 A CB -2.537 16.000 19.000 -0.773 0.000 1.130 236 A HN 1.378 nan 8.150 nan 0.000 0.873 237 G N -0.524 108.260 108.800 -0.027 0.000 2.562 237 G HA2 0.540 4.500 3.960 -0.000 0.000 0.275 237 G HA3 0.540 4.500 3.960 -0.000 0.000 0.275 237 G C -2.070 172.885 174.900 0.091 0.000 1.196 237 G CA -0.710 44.409 45.100 0.031 0.000 0.908 237 G HN 0.376 nan 8.290 nan 0.000 0.524 238 P HA 0.277 nan 4.420 nan 0.000 0.275 238 P C -0.511 176.826 177.300 0.061 0.000 1.227 238 P CA -0.093 63.063 63.100 0.093 0.000 0.781 238 P CB 1.235 32.986 31.700 0.085 0.000 0.906 239 R N 0.846 121.365 120.500 0.030 0.000 2.747 239 R HA 0.721 5.061 4.340 -0.000 0.000 0.272 239 R C -1.296 175.009 176.300 0.007 0.000 1.032 239 R CA -1.045 55.077 56.100 0.037 0.000 0.896 239 R CB 0.896 31.235 30.300 0.065 0.000 1.253 239 R HN 0.240 nan 8.270 nan 0.000 0.461 240 V N -0.939 118.987 119.914 0.020 0.000 2.960 240 V HA 0.678 4.798 4.120 -0.000 0.000 0.315 240 V C 0.423 176.531 176.094 0.024 0.000 1.087 240 V CA -0.084 62.218 62.300 0.004 0.000 0.982 240 V CB 1.841 33.661 31.823 -0.005 0.000 1.039 240 V HN 0.878 nan 8.190 nan 0.000 0.437 241 V N -1.072 118.850 119.914 0.014 0.000 3.604 241 V HA 0.488 4.607 4.120 -0.000 0.000 0.277 241 V C 0.914 177.016 176.094 0.013 0.000 1.399 241 V CA 0.287 62.610 62.300 0.038 0.000 1.034 241 V CB -0.031 31.827 31.823 0.059 0.000 0.824 241 V HN 0.941 nan 8.190 nan 0.000 0.439 242 R N 3.275 123.754 120.500 -0.036 0.000 2.370 242 R HA 0.172 4.512 4.340 -0.000 0.000 0.309 242 R C 1.168 177.374 176.300 -0.157 0.000 1.059 242 R CA 0.603 56.648 56.100 -0.092 0.000 0.981 242 R CB 0.354 30.595 30.300 -0.097 0.000 0.972 242 R HN 0.626 nan 8.270 nan 0.000 0.437 243 D N 3.329 123.653 120.400 -0.127 0.000 2.104 243 D HA -0.140 4.500 4.640 -0.000 0.000 0.194 243 D C 1.471 177.490 176.300 -0.468 0.000 0.994 243 D CA 1.827 55.696 54.000 -0.218 0.000 0.830 243 D CB -0.767 39.858 40.800 -0.291 0.000 0.959 243 D HN 0.626 nan 8.370 nan 0.000 0.452 244 G N 0.121 108.520 108.800 -0.669 0.000 2.450 244 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.220 244 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.220 244 G C 1.531 175.666 174.900 -1.275 0.000 1.130 244 G CA 0.976 45.447 45.100 -1.048 0.000 0.760 244 G HN 0.325 nan 8.290 nan 0.000 0.557 245 L N 0.577 121.069 121.223 -1.219 0.000 2.044 245 L HA 0.210 4.550 4.340 -0.000 0.000 0.205 245 L C 2.671 179.272 176.870 -0.448 0.000 1.075 245 L CA 1.180 55.593 54.840 -0.713 0.000 0.747 245 L CB -0.442 41.413 42.059 -0.340 0.000 0.903 245 L HN 0.235 nan 8.230 nan 0.000 0.435 246 I N 0.114 120.524 120.570 -0.266 0.000 2.208 246 I HA -0.350 3.820 4.170 -0.000 0.000 0.245 246 I C 2.470 178.550 176.117 -0.061 0.000 1.097 246 I CA 1.757 63.002 61.300 -0.093 0.000 1.363 246 I CB -0.680 37.365 38.000 0.075 0.000 1.051 246 I HN 0.517 nan 8.210 nan 0.000 0.413 247 N N 1.372 120.023 118.700 -0.081 0.000 2.069 247 N HA -0.220 4.519 4.740 -0.000 0.000 0.191 247 N C 1.963 177.412 175.510 -0.102 0.000 1.031 247 N CA 1.842 54.862 53.050 -0.049 0.000 0.852 247 N CB 0.046 38.435 38.487 -0.164 0.000 1.018 247 N HN 0.364 nan 8.380 nan 0.000 0.423 248 A N 0.836 123.523 122.820 -0.222 0.000 1.873 248 A HA -0.044 4.275 4.320 -0.000 0.000 0.215 248 A C 2.528 180.000 177.584 -0.187 0.000 1.186 248 A CA 1.416 53.336 52.037 -0.194 0.000 0.616 248 A CB -0.774 18.040 19.000 -0.311 0.000 0.823 248 A HN 0.218 nan 8.150 nan 0.000 0.442 249 V N -0.951 118.780 119.914 -0.306 0.000 2.379 249 V HA -0.141 3.979 4.120 -0.000 0.000 0.245 249 V C 2.376 178.455 176.094 -0.024 0.000 1.044 249 V CA 1.932 64.133 62.300 -0.164 0.000 1.036 249 V CB -0.213 31.499 31.823 -0.186 0.000 0.664 249 V HN 0.360 nan 8.190 nan 0.000 0.453 250 V N -0.647 119.249 119.914 -0.031 0.000 2.602 250 V HA -0.008 4.112 4.120 -0.000 0.000 0.235 250 V C 2.106 178.211 176.094 0.019 0.000 1.087 250 V CA 1.197 63.499 62.300 0.003 0.000 1.117 250 V CB -0.475 31.344 31.823 -0.007 0.000 0.820 250 V HN 0.411 nan 8.190 nan 0.000 0.490 251 D N 0.784 121.200 120.400 0.027 0.000 2.123 251 D HA -0.149 4.491 4.640 -0.000 0.000 0.196 251 D C 2.181 178.510 176.300 0.049 0.000 0.992 251 D CA 1.329 55.357 54.000 0.046 0.000 0.833 251 D CB -0.221 40.630 40.800 0.085 0.000 0.954 251 D HN 0.299 nan 8.370 nan 0.000 0.455 252 R N -0.419 120.112 120.500 0.050 0.000 2.310 252 R HA 0.224 4.564 4.340 -0.000 0.000 0.202 252 R C 1.181 177.531 176.300 0.083 0.000 0.933 252 R CA 0.479 56.623 56.100 0.073 0.000 1.054 252 R CB 0.270 30.624 30.300 0.091 0.000 0.985 252 R HN 0.147 nan 8.270 nan 0.000 0.489 253 G N 1.154 109.996 108.800 0.070 0.000 2.225 253 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.267 253 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.267 253 G C 0.597 175.561 174.900 0.107 0.000 1.024 253 G CA 0.239 45.384 45.100 0.075 0.000 0.784 253 G HN 0.319 nan 8.290 nan 0.000 0.507 254 L N -0.115 121.197 121.223 0.149 0.000 2.341 254 L HA 0.374 4.714 4.340 -0.000 0.000 0.214 254 L C 1.815 178.824 176.870 0.232 0.000 1.115 254 L CA 0.763 55.740 54.840 0.229 0.000 0.820 254 L CB -0.569 41.733 42.059 0.405 0.000 0.944 254 L HN 1.178 nan 8.230 nan 0.000 0.452 255 G N 0.061 108.983 108.800 0.203 0.000 2.758 255 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.686 255 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.686 255 G C 0.585 175.683 174.900 0.330 0.000 1.389 255 G CA -0.133 45.085 45.100 0.197 0.000 0.845 255 G HN 0.198 nan 8.290 nan 0.000 0.572 256 T N -2.746 111.978 114.554 0.284 0.000 2.951 256 T HA 0.064 4.414 4.350 -0.000 0.000 0.268 256 T C 0.875 175.618 174.700 0.071 0.000 1.073 256 T CA 1.965 64.253 62.100 0.313 0.000 1.134 256 T CB 0.067 69.100 68.868 0.275 0.000 0.884 256 T HN 0.807 nan 8.240 nan 0.000 0.479 257 Y N 1.333 121.670 120.300 0.062 0.000 2.749 257 Y HA 0.413 4.963 4.550 -0.000 0.000 0.343 257 Y C -2.172 173.476 175.900 -0.420 0.000 1.015 257 Y CA -2.858 55.066 58.100 -0.292 0.000 1.270 257 Y CB 1.829 40.098 38.460 -0.318 0.000 1.097 257 Y HN 0.030 nan 8.280 nan 0.000 0.571 258 P HA -0.213 nan 4.420 nan 0.000 0.219 258 P C 1.228 178.434 177.300 -0.157 0.000 1.146 258 P CA 1.724 64.685 63.100 -0.233 0.000 0.808 258 P CB 0.121 31.616 31.700 -0.341 0.000 0.779 259 H N -2.820 116.069 119.070 -0.301 0.000 2.539 259 H HA 0.175 4.731 4.556 -0.000 0.000 0.267 259 H C -0.261 175.022 175.328 -0.075 0.000 0.982 259 H CA 0.480 56.440 56.048 -0.146 0.000 1.146 259 H CB -0.222 29.461 29.762 -0.131 0.000 1.382 259 H HN 0.065 nan 8.280 nan 0.000 0.577 260 D N 1.446 121.568 120.400 -0.464 0.000 2.328 260 D HA 0.157 4.797 4.640 -0.000 0.000 0.243 260 D C -2.089 174.105 176.300 -0.176 0.000 1.324 260 D CA -1.862 51.932 54.000 -0.344 0.000 0.966 260 D CB 1.979 42.470 40.800 -0.516 0.000 1.324 260 D HN -0.023 nan 8.370 nan 0.000 0.549 261 P HA -0.087 nan 4.420 nan 0.000 0.219 261 P C 1.604 178.879 177.300 -0.041 0.000 1.150 261 P CA 0.345 63.420 63.100 -0.042 0.000 0.814 261 P CB 0.759 32.445 31.700 -0.022 0.000 0.787 262 V N 1.064 120.940 119.914 -0.064 0.000 2.307 262 V HA -0.199 3.921 4.120 -0.000 0.000 0.245 262 V C 2.766 178.814 176.094 -0.077 0.000 1.045 262 V CA 1.940 64.205 62.300 -0.058 0.000 1.024 262 V CB -1.137 30.649 31.823 -0.060 0.000 0.651 262 V HN 0.115 nan 8.190 nan 0.000 0.449 263 K N -0.008 120.305 120.400 -0.144 0.000 2.097 263 K HA -0.150 4.170 4.320 -0.000 0.000 0.206 263 K C 2.354 178.898 176.600 -0.093 0.000 1.049 263 K CA 1.529 57.679 56.287 -0.229 0.000 0.933 263 K CB -0.183 32.012 32.500 -0.508 0.000 0.717 263 K HN 0.399 nan 8.250 nan 0.000 0.442 264 S N 0.873 116.583 115.700 0.017 0.000 2.400 264 S HA -0.147 4.323 4.470 -0.000 0.000 0.232 264 S C 1.680 176.342 174.600 0.102 0.000 1.025 264 S CA 1.163 59.455 58.200 0.152 0.000 0.993 264 S CB -0.152 63.116 63.200 0.113 0.000 0.808 264 S HN 0.375 nan 8.310 nan 0.000 0.478 265 E N 1.201 121.427 120.200 0.043 0.000 2.086 265 E HA -0.053 4.297 4.350 -0.000 0.000 0.190 265 E C 1.880 178.500 176.600 0.033 0.000 0.975 265 E CA 0.851 57.272 56.400 0.035 0.000 0.813 265 E CB -0.095 29.614 29.700 0.015 0.000 0.768 265 E HN 0.552 nan 8.360 nan 0.000 0.457 266 Q N -0.252 119.557 119.800 0.014 0.000 2.311 266 Q HA -0.017 4.323 4.340 -0.000 0.000 0.203 266 Q C 0.469 176.494 176.000 0.041 0.000 0.954 266 Q CA 0.701 56.513 55.803 0.014 0.000 0.885 266 Q CB 0.316 29.045 28.738 -0.014 0.000 0.963 266 Q HN 0.175 nan 8.270 nan 0.000 0.471 267 Q N -0.128 119.717 119.800 0.074 0.000 2.831 267 Q HA 0.317 4.657 4.340 -0.000 0.000 0.366 267 Q C -0.498 175.621 176.000 0.198 0.000 0.899 267 Q CA -0.553 55.336 55.803 0.143 0.000 0.987 267 Q CB 1.538 30.382 28.738 0.177 0.000 1.382 267 Q HN 0.161 nan 8.270 nan 0.000 0.403 268 G N 0.677 109.558 108.800 0.134 0.000 2.642 268 G HA2 0.743 4.703 3.960 -0.000 0.000 0.291 268 G HA3 0.743 4.703 3.960 -0.000 0.000 0.291 268 G C -0.911 174.050 174.900 0.101 0.000 1.345 268 G CA -0.482 44.692 45.100 0.124 0.000 1.043 268 G HN 0.302 nan 8.290 nan 0.000 0.528 269 M N 0.042 119.688 119.600 0.077 0.000 2.386 269 M HA 0.476 4.956 4.480 -0.000 0.000 0.293 269 M C -1.365 174.956 176.300 0.034 0.000 1.120 269 M CA -0.454 54.880 55.300 0.055 0.000 0.909 269 M CB 2.269 34.896 32.600 0.045 0.000 1.661 269 M HN 0.409 nan 8.290 nan 0.000 0.452 270 T N 4.055 118.624 114.554 0.026 0.000 2.772 270 T HA 0.291 4.641 4.350 -0.000 0.000 0.288 270 T C -0.601 174.096 174.700 -0.005 0.000 0.994 270 T CA -0.563 61.542 62.100 0.008 0.000 0.951 270 T CB 1.041 69.913 68.868 0.007 0.000 0.933 270 T HN 0.604 nan 8.240 nan 0.000 0.447 271 K N 3.422 123.806 120.400 -0.026 0.000 2.383 271 K HA 0.352 4.672 4.320 -0.000 0.000 0.286 271 K C -0.887 175.665 176.600 -0.080 0.000 1.051 271 K CA -0.243 56.012 56.287 -0.054 0.000 0.974 271 K CB 0.297 32.748 32.500 -0.082 0.000 0.968 271 K HN 0.318 nan 8.250 nan 0.000 0.475 272 V N 4.328 124.194 119.914 -0.080 0.000 2.409 272 V HA 0.227 4.347 4.120 -0.000 0.000 0.291 272 V C -0.295 175.662 176.094 -0.228 0.000 1.020 272 V CA -0.752 61.450 62.300 -0.164 0.000 0.848 272 V CB 1.844 33.586 31.823 -0.134 0.000 0.990 272 V HN 0.839 nan 8.190 nan 0.000 0.430 273 T N 5.460 119.822 114.554 -0.319 0.000 2.859 273 T HA 0.707 5.057 4.350 -0.000 0.000 0.281 273 T C -0.759 173.704 174.700 -0.396 0.000 1.005 273 T CA -0.081 61.873 62.100 -0.243 0.000 1.025 273 T CB 0.877 69.643 68.868 -0.171 0.000 0.977 273 T HN 0.296 nan 8.240 nan 0.000 0.458 274 F N 1.541 121.508 119.950 0.028 0.000 2.508 274 F HA 0.572 5.099 4.527 -0.000 0.000 0.325 274 F C 0.432 176.318 175.800 0.143 0.000 1.090 274 F CA -1.056 56.996 58.000 0.087 0.000 0.945 274 F CB 1.853 40.921 39.000 0.114 0.000 1.156 274 F HN 0.323 nan 8.300 nan 0.000 0.463 275 Q N 2.087 122.060 119.800 0.289 0.000 2.248 275 Q HA 0.623 4.963 4.340 -0.000 0.000 0.263 275 Q C -0.882 175.225 176.000 0.178 0.000 1.007 275 Q CA -0.943 54.993 55.803 0.223 0.000 0.877 275 Q CB 1.673 30.487 28.738 0.128 0.000 1.315 275 Q HN 0.305 nan 8.270 nan 0.000 0.454 276 R N 0.417 120.983 120.500 0.110 0.000 2.439 276 R HA 0.482 4.822 4.340 -0.000 0.000 0.310 276 R C -0.088 176.229 176.300 0.028 0.000 0.955 276 R CA -0.424 55.659 56.100 -0.027 0.000 0.853 276 R CB 1.349 31.469 30.300 -0.300 0.000 1.171 276 R HN 0.919 nan 8.270 nan 0.000 0.449 277 G N 1.388 110.194 108.800 0.011 0.000 2.393 277 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.299 277 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.299 277 G C 0.901 175.818 174.900 0.027 0.000 0.990 277 G CA 1.748 46.856 45.100 0.013 0.000 1.118 277 G HN 1.176 nan 8.290 nan 0.000 0.513 278 R N -1.844 118.680 120.500 0.039 0.000 4.000 278 R HA -0.243 4.097 4.340 -0.000 0.000 0.362 278 R C 0.567 176.899 176.300 0.052 0.000 1.183 278 R CA 2.561 58.684 56.100 0.039 0.000 1.011 278 R CB -2.389 27.922 30.300 0.018 0.000 1.501 278 R HN 1.021 nan 8.270 nan 0.000 0.553 279 E N 1.731 121.982 120.200 0.086 0.000 2.175 279 E HA 0.345 4.695 4.350 -0.000 0.000 0.278 279 E C -0.764 175.966 176.600 0.215 0.000 0.969 279 E CA -1.098 55.373 56.400 0.119 0.000 0.796 279 E CB 1.148 30.908 29.700 0.100 0.000 1.104 279 E HN 0.430 nan 8.360 nan 0.000 0.395 280 D N 1.756 122.264 120.400 0.179 0.000 2.525 280 D HA -0.085 4.555 4.640 -0.000 0.000 0.235 280 D C 0.279 176.808 176.300 0.381 0.000 1.137 280 D CA 0.495 54.614 54.000 0.199 0.000 0.868 280 D CB 0.462 41.318 40.800 0.093 0.000 1.180 280 D HN 0.377 nan 8.370 nan 0.000 0.465 281 F N 2.127 122.133 119.950 0.094 0.000 2.268 281 F HA 0.203 4.730 4.527 -0.000 0.000 0.262 281 F C 0.344 176.144 175.800 0.000 0.000 0.910 281 F CA 0.276 58.235 58.000 -0.069 0.000 1.142 281 F CB 0.368 39.279 39.000 -0.148 0.000 1.229 281 F HN 0.331 nan 8.300 nan 0.000 0.781 282 R N 0.971 121.392 120.500 -0.132 0.000 2.888 282 R HA 0.876 5.216 4.340 -0.000 0.000 0.264 282 R C -1.604 174.733 176.300 0.060 0.000 1.045 282 R CA -0.681 55.317 56.100 -0.170 0.000 0.962 282 R CB 1.777 31.906 30.300 -0.285 0.000 1.210 282 R HN 0.191 nan 8.270 nan 0.000 0.479 283 A N 1.182 124.053 122.820 0.086 0.000 2.587 283 A HA 0.741 5.061 4.320 -0.000 0.000 0.293 283 A C -0.913 176.764 177.584 0.154 0.000 1.087 283 A CA -1.005 51.072 52.037 0.067 0.000 0.692 283 A CB 1.502 20.336 19.000 -0.277 0.000 1.291 283 A HN 0.865 nan 8.150 nan 0.000 0.407 284 I N -1.894 118.771 120.570 0.157 0.000 3.042 284 I HA 0.925 5.095 4.170 -0.000 0.000 0.310 284 I C -0.028 176.137 176.117 0.079 0.000 1.117 284 I CA -1.126 60.260 61.300 0.142 0.000 1.003 284 I CB 2.524 40.649 38.000 0.207 0.000 1.228 284 I HN 0.780 nan 8.210 nan 0.000 0.443 285 G N 4.850 113.688 108.800 0.063 0.000 2.660 285 G HA2 0.577 4.537 3.960 -0.000 0.000 0.305 285 G HA3 0.577 4.537 3.960 -0.000 0.000 0.305 285 G C -0.791 174.139 174.900 0.049 0.000 1.329 285 G CA -0.568 44.555 45.100 0.038 0.000 1.000 285 G HN 0.552 nan 8.290 nan 0.000 0.514 286 L N 2.426 123.680 121.223 0.053 0.000 2.380 286 L HA 0.365 4.705 4.340 -0.000 0.000 0.273 286 L C 0.210 177.113 176.870 0.055 0.000 1.138 286 L CA -0.441 54.434 54.840 0.059 0.000 0.832 286 L CB 1.146 43.240 42.059 0.058 0.000 1.124 286 L HN 0.232 nan 8.230 nan 0.000 0.454 287 L N 2.631 123.891 121.223 0.062 0.000 2.325 287 L HA 0.240 4.580 4.340 -0.000 0.000 0.279 287 L C 0.841 177.752 176.870 0.069 0.000 1.054 287 L CA -0.669 54.214 54.840 0.072 0.000 0.804 287 L CB 1.368 43.475 42.059 0.081 0.000 1.200 287 L HN 0.564 nan 8.230 nan 0.000 0.436 288 D N 0.281 120.725 120.400 0.074 0.000 2.178 288 D HA -0.066 4.574 4.640 -0.000 0.000 0.201 288 D C 0.849 177.188 176.300 0.065 0.000 0.980 288 D CA 1.239 55.278 54.000 0.064 0.000 0.842 288 D CB 0.191 41.030 40.800 0.066 0.000 0.948 288 D HN 0.737 nan 8.370 nan 0.000 0.472 289 T N -3.750 110.852 114.554 0.081 0.000 2.865 289 T HA 0.659 5.009 4.350 -0.000 0.000 0.294 289 T C -0.417 174.336 174.700 0.089 0.000 1.119 289 T CA -0.917 61.231 62.100 0.079 0.000 1.007 289 T CB 2.101 71.020 68.868 0.084 0.000 1.225 289 T HN -0.109 nan 8.240 nan 0.000 0.515 290 A N 1.488 124.359 122.820 0.085 0.000 3.063 290 A HA 0.367 4.687 4.320 -0.000 0.000 0.263 290 A C 0.202 177.844 177.584 0.096 0.000 1.736 290 A CA -0.311 51.779 52.037 0.088 0.000 1.408 290 A CB -1.279 17.775 19.000 0.090 0.000 1.108 290 A HN 0.717 nan 8.150 nan 0.000 0.621 291 D N 1.518 121.987 120.400 0.116 0.000 2.411 291 D HA 0.166 4.806 4.640 -0.000 0.000 0.225 291 D C 1.472 177.853 176.300 0.136 0.000 1.156 291 D CA 0.514 54.609 54.000 0.158 0.000 0.874 291 D CB 0.741 41.677 40.800 0.227 0.000 1.034 291 D HN 0.394 nan 8.370 nan 0.000 0.502 292 S N 3.448 119.212 115.700 0.107 0.000 2.419 292 S HA -0.192 4.278 4.470 -0.000 0.000 0.233 292 S C 1.528 176.182 174.600 0.091 0.000 1.016 292 S CA 0.430 58.668 58.200 0.063 0.000 0.974 292 S CB -0.121 63.094 63.200 0.024 0.000 0.786 292 S HN 0.417 nan 8.310 nan 0.000 0.492 293 N N 1.720 120.523 118.700 0.173 0.000 2.149 293 N HA -0.053 4.687 4.740 -0.000 0.000 0.188 293 N C 1.667 177.300 175.510 0.206 0.000 1.019 293 N CA 1.500 54.676 53.050 0.210 0.000 0.857 293 N CB -0.619 38.103 38.487 0.393 0.000 0.997 293 N HN 0.414 nan 8.380 nan 0.000 0.426 294 V N 1.083 121.120 119.914 0.206 0.000 2.725 294 V HA -0.006 4.114 4.120 -0.000 0.000 0.247 294 V C 2.266 178.440 176.094 0.133 0.000 1.058 294 V CA 0.741 63.165 62.300 0.207 0.000 1.080 294 V CB -0.307 31.631 31.823 0.191 0.000 0.713 294 V HN 0.192 nan 8.190 nan 0.000 0.465 295 M N -0.381 119.268 119.600 0.082 0.000 2.080 295 M HA -0.229 4.251 4.480 -0.000 0.000 0.260 295 M C 2.349 178.664 176.300 0.026 0.000 1.068 295 M CA 2.026 57.337 55.300 0.019 0.000 1.109 295 M CB -0.755 31.825 32.600 -0.033 0.000 1.342 295 M HN 0.410 nan 8.290 nan 0.000 0.405 296 C N 0.165 119.489 119.300 0.040 0.000 2.446 296 C HA 0.046 4.506 4.460 -0.000 0.000 0.279 296 C C 2.818 177.878 174.990 0.118 0.000 1.366 296 C CA 0.574 59.619 59.018 0.046 0.000 1.763 296 C CB -1.518 26.197 27.740 -0.042 0.000 1.929 296 C HN 0.615 nan 8.230 nan 0.000 0.509 297 A N 0.228 123.143 122.820 0.158 0.000 2.239 297 A HA -0.139 4.181 4.320 -0.000 0.000 0.209 297 A C 2.055 179.791 177.584 0.253 0.000 1.171 297 A CA 0.788 52.974 52.037 0.249 0.000 0.768 297 A CB -0.547 18.728 19.000 0.459 0.000 0.790 297 A HN 0.757 nan 8.150 nan 0.000 0.478 298 Q N -1.514 118.388 119.800 0.170 0.000 2.226 298 Q HA -0.167 4.173 4.340 -0.000 0.000 0.204 298 Q C 1.442 177.549 176.000 0.179 0.000 0.975 298 Q CA 1.627 57.541 55.803 0.185 0.000 0.866 298 Q CB -0.200 28.566 28.738 0.046 0.000 0.915 298 Q HN 0.819 nan 8.270 nan 0.000 0.440 299 C N -2.579 116.734 119.300 0.021 0.000 3.484 299 C HA 0.125 4.585 4.460 -0.000 0.000 0.543 299 C C 0.841 175.619 174.990 -0.354 0.000 1.395 299 C CA -0.517 58.382 59.018 -0.198 0.000 2.412 299 C CB 0.017 27.570 27.740 -0.310 0.000 3.532 299 C HN 0.408 nan 8.230 nan 0.000 0.584 300 H N 2.198 121.165 119.070 -0.172 0.000 2.768 300 H HA 0.414 4.970 4.556 -0.000 0.000 0.219 300 H C -0.100 175.183 175.328 -0.075 0.000 1.898 300 H CA 0.721 56.667 56.048 -0.170 0.000 1.313 300 H CB -0.116 29.559 29.762 -0.145 0.000 1.701 300 H HN 0.431 nan 8.280 nan 0.000 0.534 301 V N -1.123 118.796 119.914 0.008 0.000 3.159 301 V HA 0.398 4.518 4.120 -0.000 0.000 0.308 301 V C -0.255 175.805 176.094 -0.056 0.000 1.190 301 V CA -1.371 60.882 62.300 -0.078 0.000 1.037 301 V CB 2.748 34.441 31.823 -0.217 0.000 1.060 301 V HN 0.183 nan 8.190 nan 0.000 0.437 302 E N 1.905 122.022 120.200 -0.139 0.000 2.331 302 E HA 0.629 4.979 4.350 -0.000 0.000 0.272 302 E C -1.039 175.704 176.600 0.238 0.000 1.036 302 E CA -0.016 56.332 56.400 -0.088 0.000 0.864 302 E CB 1.048 30.533 29.700 -0.357 0.000 1.035 302 E HN 1.077 nan 8.360 nan 0.000 0.408 303 Y N 1.125 121.494 120.300 0.115 0.000 2.656 303 Y HA 0.590 5.140 4.550 -0.000 0.000 0.334 303 Y C -1.321 174.800 175.900 0.368 0.000 1.179 303 Y CA -1.504 56.710 58.100 0.190 0.000 1.050 303 Y CB 0.806 39.231 38.460 -0.058 0.000 1.308 303 Y HN 0.340 nan 8.280 nan 0.000 0.456 304 N N 0.845 119.620 118.700 0.124 0.000 2.430 304 N HA 0.573 5.313 4.740 -0.000 0.000 0.292 304 N C -1.132 174.528 175.510 0.250 0.000 1.051 304 N CA -0.364 52.665 53.050 -0.034 0.000 0.917 304 N CB 1.508 39.868 38.487 -0.213 0.000 1.164 304 N HN 0.939 nan 8.380 nan 0.000 0.484 305 C N 1.059 120.517 119.300 0.263 0.000 3.235 305 C HA 0.536 4.996 4.460 -0.000 0.000 0.198 305 C C -0.787 174.380 174.990 0.294 0.000 1.527 305 C CA -1.114 58.158 59.018 0.422 0.000 1.167 305 C CB -1.274 26.895 27.740 0.714 0.000 1.938 305 C HN 0.800 nan 8.230 nan 0.000 0.593 306 N N -0.953 117.870 118.700 0.205 0.000 4.104 306 N HA 0.391 5.131 4.740 -0.000 0.000 0.214 306 N C -3.616 171.997 175.510 0.172 0.000 1.270 306 N CA -0.797 52.359 53.050 0.178 0.000 0.894 306 N CB 0.818 39.417 38.487 0.188 0.000 1.495 306 N HN 0.161 nan 8.380 nan 0.000 0.506 307 P HA 0.407 nan 4.420 nan 0.000 0.274 307 P C -0.039 177.244 177.300 -0.029 0.000 1.246 307 P CA 0.425 63.542 63.100 0.028 0.000 0.795 307 P CB 1.155 32.811 31.700 -0.073 0.000 1.006 308 G N -0.529 108.099 108.800 -0.286 0.000 2.694 308 G HA2 0.581 4.541 3.960 -0.000 0.000 0.246 308 G HA3 0.581 4.541 3.960 -0.000 0.000 0.246 308 G C -2.020 172.110 174.900 -1.282 0.000 1.205 308 G CA -0.444 44.173 45.100 -0.805 0.000 0.891 308 G HN 0.435 nan 8.290 nan 0.000 0.515 309 Y N -0.226 119.451 120.300 -1.038 0.000 2.597 309 Y HA 0.533 5.083 4.550 -0.000 0.000 0.340 309 Y C -0.077 175.361 175.900 -0.769 0.000 1.097 309 Y CA -0.880 56.697 58.100 -0.872 0.000 1.037 309 Y CB 1.804 39.556 38.460 -1.181 0.000 1.305 309 Y HN 0.357 nan 8.280 nan 0.000 0.463 310 Q N 1.780 121.512 119.800 -0.113 0.000 2.267 310 Q HA 0.298 4.638 4.340 -0.000 0.000 0.255 310 Q C 0.615 176.781 176.000 0.278 0.000 0.923 310 Q CA -0.294 55.545 55.803 0.060 0.000 0.925 310 Q CB 1.584 30.373 28.738 0.084 0.000 1.195 310 Q HN 0.764 nan 8.270 nan 0.000 0.417 311 L N 1.355 122.774 121.223 0.328 0.000 2.083 311 L HA -0.266 4.074 4.340 -0.000 0.000 0.209 311 L C 2.471 179.429 176.870 0.147 0.000 1.083 311 L CA 1.640 56.657 54.840 0.296 0.000 0.752 311 L CB -0.419 41.739 42.059 0.164 0.000 0.899 311 L HN 0.729 nan 8.230 nan 0.000 0.433 312 S N 0.105 115.876 115.700 0.118 0.000 2.345 312 S HA -0.180 4.290 4.470 -0.000 0.000 0.220 312 S C 1.371 176.014 174.600 0.071 0.000 1.031 312 S CA 1.372 59.615 58.200 0.073 0.000 0.996 312 S CB -0.313 62.925 63.200 0.063 0.000 0.882 312 S HN 0.631 nan 8.310 nan 0.000 0.445 313 D N -1.225 119.230 120.400 0.091 0.000 2.520 313 D HA 0.298 4.938 4.640 -0.000 0.000 0.223 313 D C 1.297 177.656 176.300 0.098 0.000 1.186 313 D CA 0.455 54.501 54.000 0.077 0.000 0.821 313 D CB -0.270 40.565 40.800 0.059 0.000 1.072 313 D HN 0.660 nan 8.370 nan 0.000 0.518 314 G N 0.830 109.728 108.800 0.162 0.000 2.184 314 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.264 314 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.264 314 G C 0.463 175.463 174.900 0.168 0.000 0.975 314 G CA 0.598 45.813 45.100 0.192 0.000 0.642 314 G HN 0.874 nan 8.290 nan 0.000 0.536 315 S N -0.449 115.329 115.700 0.130 0.000 2.585 315 S HA 0.693 5.163 4.470 -0.000 0.000 0.273 315 S C 0.714 175.380 174.600 0.109 0.000 1.339 315 S CA 0.683 58.952 58.200 0.115 0.000 1.028 315 S CB 1.250 64.491 63.200 0.067 0.000 0.906 315 S HN 1.730 nan 8.310 nan 0.000 0.528 316 R N 0.653 121.197 120.500 0.074 0.000 2.543 316 R HA 0.549 4.889 4.340 -0.000 0.000 0.277 316 R C -0.382 175.840 176.300 -0.131 0.000 1.074 316 R CA -0.421 55.610 56.100 -0.116 0.000 1.076 316 R CB -0.432 29.812 30.300 -0.093 0.000 0.993 316 R HN 0.782 nan 8.270 nan 0.000 0.459 317 V N 3.055 122.835 119.914 -0.222 0.000 2.326 317 V HA 0.587 4.707 4.120 -0.000 0.000 0.281 317 V C 1.013 177.076 176.094 -0.052 0.000 1.015 317 V CA -0.526 61.737 62.300 -0.061 0.000 0.823 317 V CB 1.266 33.134 31.823 0.076 0.000 1.009 317 V HN 1.138 nan 8.190 nan 0.000 0.436 318 G N 3.353 112.138 108.800 -0.026 0.000 2.535 318 G HA2 0.430 4.390 3.960 -0.000 0.000 0.303 318 G HA3 0.430 4.390 3.960 -0.000 0.000 0.303 318 G C 0.830 175.742 174.900 0.020 0.000 1.237 318 G CA -0.688 44.402 45.100 -0.017 0.000 0.986 318 G HN 0.433 nan 8.290 nan 0.000 0.494 319 M N 0.842 120.460 119.600 0.031 0.000 2.358 319 M HA -0.059 4.421 4.480 -0.000 0.000 0.264 319 M C 2.135 178.458 176.300 0.039 0.000 1.064 319 M CA 1.054 56.386 55.300 0.054 0.000 1.093 319 M CB -0.915 31.729 32.600 0.073 0.000 1.401 319 M HN 0.765 nan 8.290 nan 0.000 0.440 320 D N -0.695 119.719 120.400 0.023 0.000 2.264 320 D HA -0.125 4.515 4.640 -0.000 0.000 0.208 320 D C 0.543 176.844 176.300 0.002 0.000 0.966 320 D CA 0.468 54.473 54.000 0.009 0.000 0.864 320 D CB -0.470 40.335 40.800 0.007 0.000 0.933 320 D HN 0.268 nan 8.370 nan 0.000 0.499 321 D N 0.586 120.991 120.400 0.009 0.000 2.345 321 D HA 0.004 4.644 4.640 -0.000 0.000 0.247 321 D C 1.213 177.508 176.300 -0.009 0.000 1.108 321 D CA -0.361 53.641 54.000 0.003 0.000 0.894 321 D CB 1.620 42.430 40.800 0.016 0.000 1.203 321 D HN -0.186 nan 8.370 nan 0.000 0.430 322 R N 3.401 123.888 120.500 -0.022 0.000 2.117 322 R HA -0.143 4.197 4.340 -0.000 0.000 0.243 322 R C 1.838 178.107 176.300 -0.052 0.000 1.143 322 R CA 1.582 57.662 56.100 -0.033 0.000 0.968 322 R CB -0.154 30.127 30.300 -0.031 0.000 0.863 322 R HN 0.471 nan 8.270 nan 0.000 0.444 323 R N -0.487 119.954 120.500 -0.098 0.000 2.249 323 R HA -0.034 4.306 4.340 -0.000 0.000 0.230 323 R C 1.847 178.003 176.300 -0.240 0.000 1.121 323 R CA 1.008 56.963 56.100 -0.241 0.000 0.997 323 R CB -0.266 29.871 30.300 -0.272 0.000 0.867 323 R HN 0.268 nan 8.270 nan 0.000 0.465 324 A N 0.915 123.691 122.820 -0.073 0.000 2.209 324 A HA -0.059 4.261 4.320 -0.000 0.000 0.212 324 A C 0.617 178.245 177.584 0.074 0.000 1.158 324 A CA 0.481 52.520 52.037 0.004 0.000 0.742 324 A CB -0.038 19.004 19.000 0.069 0.000 0.790 324 A HN 0.145 nan 8.150 nan 0.000 0.472 325 N N -0.045 118.697 118.700 0.070 0.000 2.623 325 N HA 0.341 5.081 4.740 -0.000 0.000 0.256 325 N C -1.664 173.921 175.510 0.124 0.000 1.045 325 N CA -0.391 52.743 53.050 0.140 0.000 0.863 325 N CB 0.325 38.897 38.487 0.141 0.000 1.182 325 N HN 0.342 nan 8.380 nan 0.000 0.523 326 H N 2.485 121.585 119.070 0.051 0.000 2.947 326 H HA 0.440 4.996 4.556 -0.000 0.000 0.354 326 H C -1.535 173.919 175.328 0.211 0.000 1.085 326 H CA -0.500 55.512 56.048 -0.061 0.000 1.253 326 H CB 0.426 29.945 29.762 -0.405 0.000 1.757 326 H HN 0.123 nan 8.280 nan 0.000 0.523 327 F N 5.968 125.574 119.950 -0.573 0.000 2.385 327 F HA 0.227 4.754 4.527 -0.000 0.000 0.360 327 F C 0.412 175.980 175.800 -0.387 0.000 1.122 327 F CA -0.757 57.097 58.000 -0.243 0.000 1.090 327 F CB 0.215 39.164 39.000 -0.083 0.000 1.150 327 F HN 0.635 nan 8.300 nan 0.000 0.472 328 F N 1.435 121.494 119.950 0.182 0.000 2.234 328 F HA -0.142 4.385 4.527 -0.000 0.000 0.299 328 F C 1.409 177.491 175.800 0.469 0.000 1.087 328 F CA 0.980 59.159 58.000 0.298 0.000 1.340 328 F CB -0.162 39.077 39.000 0.397 0.000 1.031 328 F HN 0.581 nan 8.300 nan 0.000 0.500 329 W N 1.022 122.584 121.300 0.435 0.000 5.770 329 W HA -0.232 4.428 4.660 -0.000 0.000 0.389 329 W C -0.627 176.272 176.519 0.634 0.000 1.469 329 W CA 0.032 57.682 57.345 0.508 0.000 0.975 329 W CB -1.080 28.627 29.460 0.412 0.000 2.622 329 W HN 0.035 nan 8.180 nan 0.000 1.500 330 A N 1.985 125.168 122.820 0.604 0.000 2.414 330 A HA 0.544 4.864 4.320 -0.000 0.000 0.306 330 A C -0.061 177.814 177.584 0.485 0.000 1.054 330 A CA -0.142 52.217 52.037 0.536 0.000 0.724 330 A CB 0.919 20.214 19.000 0.491 0.000 1.267 330 A HN 0.347 nan 8.150 nan 0.000 0.418 331 N N 0.794 119.735 118.700 0.402 0.000 2.354 331 N HA 0.111 4.851 4.740 -0.000 0.000 0.246 331 N C 0.898 176.256 175.510 -0.253 0.000 1.285 331 N CA 0.224 53.374 53.050 0.168 0.000 0.925 331 N CB 0.477 39.099 38.487 0.224 0.000 1.174 331 N HN 0.598 nan 8.380 nan 0.000 0.478 332 V N -0.107 119.205 119.914 -1.003 0.000 2.469 332 V HA -0.187 3.933 4.120 -0.000 0.000 0.251 332 V C 1.139 176.888 176.094 -0.575 0.000 1.064 332 V CA 1.740 63.036 62.300 -1.673 0.000 1.066 332 V CB -0.957 29.586 31.823 -2.133 0.000 0.667 332 V HN 0.598 nan 8.190 nan 0.000 0.461 333 F N 0.005 119.912 119.950 -0.072 0.000 2.710 333 F HA 0.160 4.687 4.527 -0.000 0.000 0.298 333 F C 1.869 177.747 175.800 0.129 0.000 1.137 333 F CA 0.643 58.700 58.000 0.096 0.000 1.444 333 F CB -0.190 38.831 39.000 0.036 0.000 1.111 333 F HN 0.276 nan 8.300 nan 0.000 0.580 334 D N -2.317 118.236 120.400 0.255 0.000 2.398 334 D HA -0.048 4.592 4.640 -0.000 0.000 0.210 334 D C 1.777 178.224 176.300 0.244 0.000 1.094 334 D CA 0.128 54.273 54.000 0.242 0.000 0.839 334 D CB -0.194 40.747 40.800 0.235 0.000 0.963 334 D HN 0.223 nan 8.370 nan 0.000 0.506 335 Y N 2.371 122.728 120.300 0.095 0.000 2.128 335 Y HA -0.231 4.319 4.550 -0.000 0.000 0.284 335 Y C 2.294 178.275 175.900 0.136 0.000 1.154 335 Y CA 1.863 60.022 58.100 0.099 0.000 1.149 335 Y CB 0.181 38.645 38.460 0.007 0.000 0.976 335 Y HN -0.205 nan 8.280 nan 0.000 0.505 336 K N 0.336 120.882 120.400 0.244 0.000 2.063 336 K HA -0.293 4.027 4.320 -0.000 0.000 0.208 336 K C 2.219 178.856 176.600 0.062 0.000 1.048 336 K CA 2.005 58.411 56.287 0.199 0.000 0.928 336 K CB -0.320 32.339 32.500 0.264 0.000 0.713 336 K HN 0.537 nan 8.250 nan 0.000 0.442 337 E N -0.301 119.960 120.200 0.100 0.000 2.077 337 E HA -0.183 4.167 4.350 -0.000 0.000 0.193 337 E C 1.759 178.418 176.600 0.098 0.000 0.989 337 E CA 1.005 57.461 56.400 0.094 0.000 0.800 337 E CB -0.120 29.652 29.700 0.120 0.000 0.746 337 E HN 0.445 nan 8.360 nan 0.000 0.452 338 A N 0.987 123.872 122.820 0.107 0.000 1.933 338 A HA -0.089 4.231 4.320 -0.000 0.000 0.218 338 A C 2.327 180.040 177.584 0.214 0.000 1.175 338 A CA 1.716 53.873 52.037 0.200 0.000 0.628 338 A CB -0.610 18.584 19.000 0.324 0.000 0.814 338 A HN 0.406 nan 8.150 nan 0.000 0.444 339 A N -0.850 121.981 122.820 0.018 0.000 1.929 339 A HA -0.121 4.199 4.320 -0.000 0.000 0.216 339 A C 2.091 179.780 177.584 0.174 0.000 1.176 339 A CA 1.417 53.543 52.037 0.147 0.000 0.628 339 A CB -0.477 18.496 19.000 -0.045 0.000 0.816 339 A HN 0.622 nan 8.150 nan 0.000 0.444 340 Q N -0.317 119.538 119.800 0.091 0.000 2.084 340 Q HA -0.214 4.126 4.340 -0.000 0.000 0.202 340 Q C 1.915 177.970 176.000 0.090 0.000 0.978 340 Q CA 1.642 57.490 55.803 0.075 0.000 0.844 340 Q CB -0.226 28.531 28.738 0.032 0.000 0.898 340 Q HN 0.741 nan 8.270 nan 0.000 0.426 341 E N 0.411 120.670 120.200 0.098 0.000 2.130 341 E HA -0.214 4.136 4.350 -0.000 0.000 0.196 341 E C 1.786 178.427 176.600 0.069 0.000 0.998 341 E CA 1.454 57.909 56.400 0.091 0.000 0.806 341 E CB -0.196 29.574 29.700 0.116 0.000 0.738 341 E HN 0.559 nan 8.360 nan 0.000 0.459 342 I N -2.409 118.202 120.570 0.067 0.000 3.956 342 I HA 0.179 4.349 4.170 -0.000 0.000 0.333 342 I C -0.140 176.039 176.117 0.102 0.000 1.302 342 I CA -0.251 61.053 61.300 0.006 0.000 1.122 342 I CB 0.452 38.316 38.000 -0.225 0.000 1.013 342 I HN -0.190 nan 8.210 nan 0.000 0.405 343 D N 1.767 122.255 120.400 0.146 0.000 2.828 343 D HA -0.284 4.356 4.640 -0.000 0.000 0.241 343 D C -0.987 175.471 176.300 0.264 0.000 1.142 343 D CA 0.907 55.009 54.000 0.169 0.000 0.755 343 D CB -1.085 39.784 40.800 0.115 0.000 1.014 343 D HN 0.560 nan 8.370 nan 0.000 0.420 344 F N 1.839 121.876 119.950 0.144 0.000 2.596 344 F HA 0.645 5.172 4.527 -0.000 0.000 0.311 344 F C -1.271 174.719 175.800 0.315 0.000 1.116 344 F CA -0.942 57.151 58.000 0.155 0.000 0.957 344 F CB 1.124 40.197 39.000 0.121 0.000 1.250 344 F HN -0.034 nan 8.300 nan 0.000 0.444 345 F N 2.680 122.411 119.950 -0.364 0.000 2.664 345 F HA 0.550 5.077 4.527 -0.000 0.000 0.317 345 F C -0.164 175.399 175.800 -0.394 0.000 1.108 345 F CA -0.845 57.071 58.000 -0.139 0.000 0.957 345 F CB 1.010 40.031 39.000 0.035 0.000 1.365 345 F HN 0.381 nan 8.300 nan 0.000 0.475 346 D N 0.355 120.848 120.400 0.156 0.000 2.269 346 D HA 0.097 4.737 4.640 -0.000 0.000 0.220 346 D C -0.271 176.293 176.300 0.441 0.000 0.962 346 D CA 1.782 55.917 54.000 0.225 0.000 0.884 346 D CB 0.446 41.523 40.800 0.460 0.000 1.023 346 D HN 0.390 nan 8.370 nan 0.000 0.484 347 F N -0.829 119.330 119.950 0.349 0.000 2.686 347 F HA 0.517 5.043 4.527 -0.000 0.000 0.311 347 F C -1.345 174.622 175.800 0.278 0.000 1.128 347 F CA -1.435 56.748 58.000 0.305 0.000 0.946 347 F CB 0.993 40.137 39.000 0.240 0.000 1.336 347 F HN -0.479 nan 8.300 nan 0.000 0.457 348 R N 1.708 122.258 120.500 0.083 0.000 2.294 348 R HA 0.221 4.561 4.340 -0.000 0.000 0.319 348 R C -0.434 175.780 176.300 -0.144 0.000 0.984 348 R CA -0.888 55.115 56.100 -0.162 0.000 0.861 348 R CB 0.630 30.871 30.300 -0.099 0.000 1.104 348 R HN 0.714 nan 8.270 nan 0.000 0.451 349 H N 2.126 120.943 119.070 -0.421 0.000 3.034 349 H HA -0.041 4.515 4.556 -0.000 0.000 0.324 349 H C 0.675 175.973 175.328 -0.051 0.000 1.015 349 H CA 0.586 56.526 56.048 -0.180 0.000 1.429 349 H CB 1.250 30.869 29.762 -0.237 0.000 1.429 349 H HN 0.830 nan 8.280 nan 0.000 0.585 350 A N 3.892 126.526 122.820 -0.310 0.000 2.015 350 A HA -0.120 4.200 4.320 -0.000 0.000 0.219 350 A C 2.133 179.697 177.584 -0.034 0.000 1.163 350 A CA 1.744 53.699 52.037 -0.137 0.000 0.646 350 A CB -0.115 18.796 19.000 -0.149 0.000 0.806 350 A HN 0.766 nan 8.150 nan 0.000 0.448 351 T N -1.243 113.376 114.554 0.110 0.000 3.004 351 T HA -0.023 4.327 4.350 -0.000 0.000 0.243 351 T C 2.131 176.869 174.700 0.062 0.000 1.020 351 T CA 1.572 63.768 62.100 0.159 0.000 1.145 351 T CB -0.312 68.689 68.868 0.222 0.000 0.876 351 T HN 0.701 nan 8.240 nan 0.000 0.449 352 T N -0.795 113.734 114.554 -0.042 0.000 3.067 352 T HA 0.349 4.699 4.350 -0.000 0.000 0.257 352 T C 1.950 176.401 174.700 -0.416 0.000 1.105 352 T CA 1.030 62.678 62.100 -0.754 0.000 1.104 352 T CB -0.270 67.707 68.868 -1.486 0.000 0.925 352 T HN 0.546 nan 8.240 nan 0.000 0.498 353 G N 1.498 110.201 108.800 -0.162 0.000 2.184 353 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.264 353 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.264 353 G C 0.330 175.108 174.900 -0.204 0.000 0.975 353 G CA 0.088 45.109 45.100 -0.132 0.000 0.642 353 G HN 1.254 nan 8.290 nan 0.000 0.536 354 A N 0.142 122.796 122.820 -0.276 0.000 2.425 354 A HA 0.770 5.089 4.320 -0.000 0.000 0.249 354 A C 1.012 178.301 177.584 -0.493 0.000 1.084 354 A CA 0.918 52.753 52.037 -0.337 0.000 0.781 354 A CB 0.451 19.238 19.000 -0.355 0.000 1.019 354 A HN 2.094 nan 8.150 nan 0.000 0.490 355 A N 2.365 124.829 122.820 -0.594 0.000 2.488 355 A HA 0.552 4.872 4.320 -0.000 0.000 0.249 355 A C -0.086 177.110 177.584 -0.645 0.000 1.083 355 A CA 0.188 51.614 52.037 -1.019 0.000 0.768 355 A CB -0.280 17.719 19.000 -1.669 0.000 1.017 355 A HN 0.827 nan 8.150 nan 0.000 0.496 356 L N 3.918 124.773 121.223 -0.613 0.000 2.371 356 L HA 0.538 4.878 4.340 -0.000 0.000 0.262 356 L C -2.412 174.286 176.870 -0.286 0.000 1.006 356 L CA -2.260 52.164 54.840 -0.694 0.000 0.818 356 L CB 2.940 44.201 42.059 -1.330 0.000 1.354 356 L HN 0.477 nan 8.230 nan 0.000 0.415 357 P HA 0.240 nan 4.420 nan 0.000 0.281 357 P C -1.519 175.811 177.300 0.050 0.000 1.249 357 P CA -0.687 62.429 63.100 0.026 0.000 0.810 357 P CB 1.523 33.239 31.700 0.026 0.000 1.008 358 K N 2.549 122.988 120.400 0.064 0.000 2.265 358 K HA 0.406 4.726 4.320 -0.000 0.000 0.267 358 K C -0.900 175.497 176.600 -0.338 0.000 0.994 358 K CA -0.501 55.680 56.287 -0.177 0.000 0.860 358 K CB 0.163 32.413 32.500 -0.416 0.000 1.099 358 K HN 0.252 nan 8.250 nan 0.000 0.448 359 L N 3.769 124.729 121.223 -0.437 0.000 2.325 359 L HA 0.454 4.794 4.340 -0.000 0.000 0.279 359 L C -0.456 176.040 176.870 -0.624 0.000 1.054 359 L CA -0.600 53.879 54.840 -0.602 0.000 0.804 359 L CB 1.332 42.982 42.059 -0.681 0.000 1.200 359 L HN 0.695 nan 8.230 nan 0.000 0.436 360 Q N 1.150 120.558 119.800 -0.654 0.000 2.333 360 Q HA 0.299 4.639 4.340 -0.000 0.000 0.268 360 Q C -0.609 174.846 176.000 -0.910 0.000 1.007 360 Q CA -0.653 54.694 55.803 -0.759 0.000 0.810 360 Q CB 0.892 29.403 28.738 -0.379 0.000 1.264 360 Q HN 0.559 nan 8.270 nan 0.000 0.452 361 H N 0.422 119.338 119.070 -0.256 0.000 1.694 361 H HA -0.161 4.395 4.556 -0.000 0.000 0.323 361 H C -2.126 173.001 175.328 -0.335 0.000 0.802 361 H CA 0.120 56.019 56.048 -0.248 0.000 1.074 361 H CB -1.149 28.543 29.762 -0.116 0.000 1.518 361 H HN 0.378 nan 8.280 nan 0.000 0.270 362 P HA 0.097 nan 4.420 nan 0.000 0.211 362 P C 0.107 177.229 177.300 -0.297 0.000 1.833 362 P CA -0.303 62.462 63.100 -0.558 0.000 0.938 362 P CB 0.612 31.508 31.700 -1.339 0.000 1.808 363 E N 1.219 121.358 120.200 -0.102 0.000 2.077 363 E HA -0.147 4.203 4.350 -0.000 0.000 0.193 363 E C 2.255 178.774 176.600 -0.136 0.000 0.989 363 E CA 1.868 58.258 56.400 -0.017 0.000 0.800 363 E CB -0.788 28.917 29.700 0.008 0.000 0.746 363 E HN 0.317 nan 8.360 nan 0.000 0.452 364 A N 0.927 123.630 122.820 -0.195 0.000 1.877 364 A HA -0.233 4.087 4.320 -0.000 0.000 0.216 364 A C 1.919 178.956 177.584 -0.911 0.000 1.186 364 A CA 1.840 53.674 52.037 -0.339 0.000 0.620 364 A CB -0.518 18.385 19.000 -0.161 0.000 0.822 364 A HN 0.171 nan 8.150 nan 0.000 0.443 365 E N -0.676 118.945 120.200 -0.965 0.000 2.274 365 E HA -0.035 4.315 4.350 -0.000 0.000 0.194 365 E C 1.888 178.221 176.600 -0.444 0.000 0.996 365 E CA 1.321 56.925 56.400 -1.325 0.000 0.840 365 E CB -0.354 28.993 29.700 -0.588 0.000 0.772 365 E HN 0.562 nan 8.360 nan 0.000 0.491 366 T N 0.440 114.928 114.554 -0.109 0.000 2.812 366 T HA -0.072 4.278 4.350 -0.000 0.000 0.264 366 T C 1.336 176.166 174.700 0.217 0.000 1.042 366 T CA 0.633 62.852 62.100 0.198 0.000 1.140 366 T CB -0.312 68.743 68.868 0.311 0.000 0.870 366 T HN 0.149 nan 8.240 nan 0.000 0.445 367 F N 1.229 121.147 119.950 -0.053 0.000 2.216 367 F HA 0.070 4.597 4.527 -0.000 0.000 0.300 367 F C 0.224 176.118 175.800 0.157 0.000 1.085 367 F CA -0.307 57.715 58.000 0.037 0.000 1.326 367 F CB -0.342 38.613 39.000 -0.076 0.000 1.027 367 F HN 0.126 nan 8.300 nan 0.000 0.497 368 W N 1.523 122.806 121.300 -0.029 0.000 2.409 368 W HA 0.307 4.967 4.660 -0.000 0.000 0.338 368 W C 1.548 177.859 176.519 -0.348 0.000 1.273 368 W CA 0.703 57.893 57.345 -0.257 0.000 1.299 368 W CB -0.996 28.239 29.460 -0.374 0.000 1.192 368 W HN 0.423 nan 8.180 nan 0.000 0.565 369 G N 1.741 110.456 108.800 -0.142 0.000 2.205 369 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.261 369 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.261 369 G C 0.548 175.420 174.900 -0.046 0.000 0.980 369 G CA 0.361 45.404 45.100 -0.094 0.000 0.632 369 G HN 0.865 nan 8.290 nan 0.000 0.533 370 S N -0.386 115.256 115.700 -0.096 0.000 2.576 370 S HA 0.465 4.935 4.470 -0.000 0.000 0.272 370 S C 1.647 176.188 174.600 -0.099 0.000 1.352 370 S CA 0.121 58.271 58.200 -0.083 0.000 1.021 370 S CB 1.860 65.011 63.200 -0.082 0.000 0.887 370 S HN 0.872 nan 8.310 nan 0.000 0.542 371 V N 2.114 121.972 119.914 -0.094 0.000 2.332 371 V HA -0.223 3.897 4.120 -0.000 0.000 0.248 371 V C 2.376 178.415 176.094 -0.092 0.000 1.055 371 V CA 2.495 64.726 62.300 -0.115 0.000 1.038 371 V CB -1.517 30.203 31.823 -0.170 0.000 0.651 371 V HN 0.977 nan 8.190 nan 0.000 0.450 372 H N -0.590 118.487 119.070 0.013 0.000 2.293 372 H HA -0.164 4.392 4.556 -0.000 0.000 0.300 372 H C 2.532 177.859 175.328 -0.001 0.000 1.082 372 H CA 1.719 57.830 56.048 0.105 0.000 1.308 372 H CB 0.011 29.977 29.762 0.340 0.000 1.375 372 H HN 0.335 nan 8.280 nan 0.000 0.495 373 E N 1.139 121.178 120.200 -0.269 0.000 2.077 373 E HA -0.194 4.156 4.350 -0.000 0.000 0.193 373 E C 2.071 178.660 176.600 -0.019 0.000 0.989 373 E CA 0.865 57.072 56.400 -0.322 0.000 0.800 373 E CB 0.122 29.395 29.700 -0.712 0.000 0.746 373 E HN 0.338 nan 8.360 nan 0.000 0.452 374 R N 0.604 121.091 120.500 -0.023 0.000 2.152 374 R HA -0.021 4.319 4.340 -0.000 0.000 0.232 374 R C 1.620 177.927 176.300 0.012 0.000 1.117 374 R CA 0.610 56.718 56.100 0.013 0.000 0.981 374 R CB -0.636 29.668 30.300 0.006 0.000 0.870 374 R HN 0.283 nan 8.270 nan 0.000 0.451 375 N N 0.087 118.806 118.700 0.032 0.000 2.383 375 N HA -0.005 4.735 4.740 -0.000 0.000 0.192 375 N C 0.565 176.117 175.510 0.070 0.000 1.141 375 N CA 0.801 53.878 53.050 0.045 0.000 0.851 375 N CB 0.713 39.232 38.487 0.053 0.000 0.976 375 N HN 0.365 nan 8.380 nan 0.000 0.465 376 G N 0.489 109.338 108.800 0.082 0.000 2.136 376 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.242 376 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.242 376 G C 0.142 175.144 174.900 0.170 0.000 0.989 376 G CA 0.060 45.217 45.100 0.094 0.000 0.682 376 G HN 0.162 nan 8.290 nan 0.000 0.522 377 V N 0.300 120.364 119.914 0.250 0.000 2.775 377 V HA 0.733 4.853 4.120 -0.000 0.000 0.299 377 V C 0.829 177.186 176.094 0.438 0.000 1.062 377 V CA 0.376 62.862 62.300 0.309 0.000 1.063 377 V CB 1.451 33.500 31.823 0.377 0.000 0.994 377 V HN 1.341 nan 8.190 nan 0.000 0.483 378 A N 1.874 124.862 122.820 0.281 0.000 2.485 378 A HA 0.489 4.809 4.320 -0.000 0.000 0.292 378 A C 0.924 178.495 177.584 -0.020 0.000 1.147 378 A CA -0.166 52.005 52.037 0.223 0.000 0.750 378 A CB 0.939 20.061 19.000 0.204 0.000 1.331 378 A HN 0.861 nan 8.150 nan 0.000 0.419 379 C N 0.116 119.330 119.300 -0.143 0.000 2.385 379 C HA -0.108 4.352 4.460 -0.000 0.000 0.275 379 C C 3.037 178.003 174.990 -0.040 0.000 1.207 379 C CA 1.707 60.625 59.018 -0.166 0.000 1.760 379 C CB -1.720 25.929 27.740 -0.152 0.000 2.051 379 C HN 0.955 nan 8.230 nan 0.000 0.467 380 A N 0.754 123.562 122.820 -0.019 0.000 2.019 380 A HA -0.195 4.125 4.320 -0.000 0.000 0.219 380 A C 1.784 179.353 177.584 -0.025 0.000 1.164 380 A CA 2.031 54.060 52.037 -0.014 0.000 0.644 380 A CB -0.534 18.457 19.000 -0.014 0.000 0.805 380 A HN 0.620 nan 8.150 nan 0.000 0.449 381 D N -0.608 119.780 120.400 -0.021 0.000 2.178 381 D HA -0.111 4.529 4.640 -0.000 0.000 0.201 381 D C 1.760 178.018 176.300 -0.070 0.000 0.980 381 D CA 1.508 55.495 54.000 -0.021 0.000 0.842 381 D CB -0.240 40.569 40.800 0.016 0.000 0.948 381 D HN 0.512 nan 8.370 nan 0.000 0.472 382 C N -0.700 118.510 119.300 -0.150 0.000 2.700 382 C HA 0.113 4.573 4.460 -0.000 0.000 0.297 382 C C 1.966 176.745 174.990 -0.352 0.000 1.293 382 C CA -0.112 58.734 59.018 -0.286 0.000 1.756 382 C CB -0.328 27.153 27.740 -0.432 0.000 2.210 382 C HN 0.403 nan 8.230 nan 0.000 0.553 383 H N -1.310 117.711 119.070 -0.082 0.000 3.046 383 H HA 0.348 4.904 4.556 -0.000 0.000 0.262 383 H C 0.567 175.846 175.328 -0.082 0.000 1.044 383 H CA 0.537 56.530 56.048 -0.093 0.000 1.209 383 H CB 0.398 30.087 29.762 -0.122 0.000 1.507 383 H HN 0.399 nan 8.280 nan 0.000 0.507 384 M N 1.909 121.517 119.600 0.014 0.000 3.951 384 M HA 0.213 4.693 4.480 -0.000 0.000 0.444 384 M C -2.816 173.461 176.300 -0.038 0.000 1.957 384 M CA -1.326 53.958 55.300 -0.027 0.000 0.521 384 M CB 2.516 35.068 32.600 -0.079 0.000 1.436 384 M HN -0.140 nan 8.290 nan 0.000 0.525 385 P HA 0.171 nan 4.420 nan 0.000 0.274 385 P C -0.770 176.492 177.300 -0.065 0.000 1.246 385 P CA -0.179 62.894 63.100 -0.045 0.000 0.795 385 P CB 0.874 32.546 31.700 -0.046 0.000 1.006 386 K N 0.380 120.741 120.400 -0.064 0.000 2.382 386 K HA 0.164 4.484 4.320 -0.000 0.000 0.275 386 K C 0.316 176.820 176.600 -0.160 0.000 1.009 386 K CA -0.386 55.838 56.287 -0.106 0.000 0.970 386 K CB 0.279 32.741 32.500 -0.063 0.000 0.934 386 K HN 0.320 nan 8.250 nan 0.000 0.479 387 V N 0.657 120.389 119.914 -0.304 0.000 2.686 387 V HA 0.111 4.231 4.120 -0.000 0.000 0.295 387 V C -0.248 175.747 176.094 -0.166 0.000 1.055 387 V CA -0.532 61.594 62.300 -0.292 0.000 1.050 387 V CB 0.795 32.302 31.823 -0.526 0.000 0.984 387 V HN 0.650 nan 8.190 nan 0.000 0.482 388 Q N 4.076 123.819 119.800 -0.096 0.000 2.307 388 Q HA 0.737 5.077 4.340 -0.000 0.000 0.262 388 Q C -1.077 174.905 176.000 -0.029 0.000 0.961 388 Q CA -0.365 55.408 55.803 -0.049 0.000 0.882 388 Q CB 2.122 30.843 28.738 -0.029 0.000 1.264 388 Q HN 0.778 nan 8.270 nan 0.000 0.446 389 L N 1.907 123.123 121.223 -0.011 0.000 2.386 389 L HA 0.309 4.649 4.340 -0.000 0.000 0.271 389 L C 0.817 177.696 176.870 0.014 0.000 0.993 389 L CA -0.551 54.296 54.840 0.011 0.000 0.819 389 L CB 1.934 44.012 42.059 0.032 0.000 1.294 389 L HN 0.691 nan 8.230 nan 0.000 0.414 390 E N 1.111 121.321 120.200 0.017 0.000 2.085 390 E HA -0.076 4.274 4.350 -0.000 0.000 0.194 390 E C -0.164 176.448 176.600 0.020 0.000 0.994 390 E CA 1.144 57.553 56.400 0.016 0.000 0.801 390 E CB 0.187 29.896 29.700 0.016 0.000 0.743 390 E HN 0.459 nan 8.360 nan 0.000 0.453 391 N N -0.431 118.284 118.700 0.025 0.000 2.500 391 N HA 0.427 5.167 4.740 -0.000 0.000 0.291 391 N C -0.675 174.859 175.510 0.039 0.000 1.092 391 N CA 0.009 53.076 53.050 0.028 0.000 0.890 391 N CB 2.041 40.543 38.487 0.025 0.000 1.466 391 N HN 0.170 nan 8.380 nan 0.000 0.507 392 G N 0.674 109.500 108.800 0.043 0.000 2.320 392 G HA2 0.050 4.010 3.960 -0.000 0.000 0.297 392 G HA3 0.050 4.010 3.960 -0.000 0.000 0.297 392 G C -1.763 173.178 174.900 0.069 0.000 1.344 392 G CA -0.894 44.242 45.100 0.060 0.000 0.851 392 G HN 0.371 nan 8.290 nan 0.000 0.567 393 K N 0.506 120.961 120.400 0.092 0.000 2.312 393 K HA 0.511 4.831 4.320 -0.000 0.000 0.287 393 K C 0.406 177.102 176.600 0.160 0.000 1.062 393 K CA -0.504 55.846 56.287 0.105 0.000 0.934 393 K CB 1.278 33.838 32.500 0.100 0.000 1.027 393 K HN 0.639 nan 8.250 nan 0.000 0.478 394 V N 6.637 126.617 119.914 0.110 0.000 2.740 394 V HA 0.172 4.292 4.120 -0.000 0.000 0.303 394 V C -0.989 175.206 176.094 0.168 0.000 1.054 394 V CA 0.310 62.654 62.300 0.074 0.000 1.106 394 V CB -0.053 31.779 31.823 0.016 0.000 0.957 394 V HN 0.771 nan 8.190 nan 0.000 0.486 395 Y N 2.041 122.370 120.300 0.049 0.000 2.644 395 Y HA 0.719 5.269 4.550 -0.000 0.000 0.338 395 Y C -0.333 175.617 175.900 0.082 0.000 1.119 395 Y CA -1.199 56.939 58.100 0.063 0.000 1.060 395 Y CB 1.121 39.619 38.460 0.064 0.000 1.294 395 Y HN 0.410 nan 8.280 nan 0.000 0.472 396 T N 1.968 116.645 114.554 0.205 0.000 2.749 396 T HA 0.272 4.622 4.350 -0.000 0.000 0.295 396 T C -0.096 174.771 174.700 0.278 0.000 0.936 396 T CA -0.435 61.745 62.100 0.132 0.000 1.060 396 T CB 0.715 69.687 68.868 0.174 0.000 0.904 396 T HN 0.735 nan 8.240 nan 0.000 0.500 397 S N 2.194 117.930 115.700 0.060 0.000 2.516 397 S HA 0.022 4.492 4.470 -0.000 0.000 0.282 397 S C 0.404 175.135 174.600 0.218 0.000 1.286 397 S CA -0.270 58.038 58.200 0.180 0.000 1.066 397 S CB 0.051 63.272 63.200 0.035 0.000 0.884 397 S HN 0.718 nan 8.310 nan 0.000 0.491 398 H N 2.325 121.503 119.070 0.179 0.000 2.505 398 H HA 0.329 4.885 4.556 -0.000 0.000 0.289 398 H C 0.137 175.568 175.328 0.172 0.000 1.052 398 H CA -0.087 56.077 56.048 0.194 0.000 1.156 398 H CB 0.302 30.204 29.762 0.234 0.000 1.507 398 H HN 0.378 nan 8.280 nan 0.000 0.548 399 S N 1.797 117.590 115.700 0.154 0.000 2.681 399 S HA 0.120 4.590 4.470 -0.000 0.000 0.313 399 S C 0.125 174.724 174.600 -0.003 0.000 1.137 399 S CA -0.550 57.665 58.200 0.026 0.000 1.045 399 S CB 0.109 63.300 63.200 -0.015 0.000 1.208 399 S HN 0.333 nan 8.310 nan 0.000 0.523 400 Q N 3.373 123.164 119.800 -0.014 0.000 2.323 400 Q HA 0.437 4.777 4.340 -0.000 0.000 0.257 400 Q C 0.448 176.340 176.000 -0.180 0.000 1.022 400 Q CA 0.074 55.835 55.803 -0.071 0.000 0.919 400 Q CB 0.381 29.090 28.738 -0.048 0.000 1.220 400 Q HN 0.740 nan 8.270 nan 0.000 0.427 401 R N -0.580 119.878 120.500 -0.070 0.000 2.741 401 R HA 0.527 4.867 4.340 -0.000 0.000 0.274 401 R C -0.847 175.512 176.300 0.098 0.000 1.029 401 R CA -1.004 55.058 56.100 -0.063 0.000 0.880 401 R CB 0.577 30.828 30.300 -0.082 0.000 1.264 401 R HN 0.327 nan 8.270 nan 0.000 0.465 402 T N 1.383 115.963 114.554 0.043 0.000 2.934 402 T HA 0.102 4.452 4.350 -0.000 0.000 0.306 402 T C -1.288 173.397 174.700 -0.025 0.000 1.042 402 T CA -1.156 60.976 62.100 0.053 0.000 1.145 402 T CB 0.560 69.413 68.868 -0.023 0.000 0.982 402 T HN 0.505 nan 8.240 nan 0.000 0.544 403 P HA -0.053 nan 4.420 nan 0.000 0.228 403 P C 1.311 178.546 177.300 -0.109 0.000 1.151 403 P CA 0.752 63.763 63.100 -0.149 0.000 0.770 403 P CB 0.093 31.651 31.700 -0.236 0.000 0.786 404 R N 0.147 120.582 120.500 -0.107 0.000 2.139 404 R HA -0.143 4.197 4.340 -0.000 0.000 0.243 404 R C 1.280 177.542 176.300 -0.064 0.000 1.145 404 R CA 1.566 57.613 56.100 -0.088 0.000 0.976 404 R CB -0.553 29.696 30.300 -0.084 0.000 0.866 404 R HN 0.204 nan 8.270 nan 0.000 0.449 405 D N -0.235 120.130 120.400 -0.058 0.000 2.355 405 D HA -0.037 4.603 4.640 -0.000 0.000 0.218 405 D C 0.884 177.161 176.300 -0.039 0.000 1.004 405 D CA 0.852 54.824 54.000 -0.047 0.000 0.880 405 D CB 0.332 41.103 40.800 -0.047 0.000 0.911 405 D HN 0.307 nan 8.370 nan 0.000 0.528 406 M N -2.084 117.490 119.600 -0.043 0.000 4.568 406 M HA 0.265 4.745 4.480 -0.000 0.000 0.533 406 M C 0.004 176.286 176.300 -0.031 0.000 2.143 406 M CA -0.255 55.025 55.300 -0.034 0.000 0.483 406 M CB 0.839 33.417 32.600 -0.036 0.000 1.438 406 M HN -0.305 nan 8.290 nan 0.000 0.591 407 M N 0.803 120.388 119.600 -0.025 0.000 2.229 407 M HA 0.058 4.538 4.480 -0.000 0.000 0.264 407 M C 2.004 178.314 176.300 0.018 0.000 1.063 407 M CA 2.082 57.376 55.300 -0.011 0.000 1.114 407 M CB -1.104 31.487 32.600 -0.014 0.000 1.387 407 M HN 0.763 nan 8.290 nan 0.000 0.420 408 G N 0.001 108.809 108.800 0.013 0.000 2.418 408 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.217 408 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.217 408 G C 1.417 176.328 174.900 0.018 0.000 1.158 408 G CA 0.687 45.800 45.100 0.022 0.000 0.771 408 G HN 0.458 nan 8.290 nan 0.000 0.545 409 Q N 0.046 119.845 119.800 -0.001 0.000 2.269 409 Q HA 0.454 4.794 4.340 -0.000 0.000 0.201 409 Q C 2.236 178.231 176.000 -0.008 0.000 0.946 409 Q CA 0.932 56.727 55.803 -0.012 0.000 0.877 409 Q CB 0.085 28.803 28.738 -0.033 0.000 0.963 409 Q HN 0.485 nan 8.270 nan 0.000 0.472 410 A N -0.346 122.470 122.820 -0.006 0.000 3.513 410 A HA 0.037 4.357 4.320 -0.000 0.000 0.195 410 A C 1.961 179.576 177.584 0.052 0.000 2.063 410 A CA 0.402 52.434 52.037 -0.010 0.000 1.375 410 A CB -0.970 17.994 19.000 -0.060 0.000 1.204 410 A HN 0.408 nan 8.150 nan 0.000 0.385 411 C N 0.185 119.535 119.300 0.083 0.000 2.398 411 C HA -0.115 4.345 4.460 -0.000 0.000 0.276 411 C C 2.565 177.731 174.990 0.293 0.000 1.222 411 C CA 1.147 60.304 59.018 0.233 0.000 1.746 411 C CB -1.871 26.005 27.740 0.227 0.000 2.039 411 C HN 0.561 nan 8.230 nan 0.000 0.470 412 L N 1.149 122.492 121.223 0.200 0.000 2.291 412 L HA -0.058 4.282 4.340 -0.000 0.000 0.214 412 L C 2.324 179.272 176.870 0.130 0.000 1.120 412 L CA 1.070 56.029 54.840 0.199 0.000 0.799 412 L CB -0.863 41.283 42.059 0.144 0.000 0.925 412 L HN 0.394 nan 8.230 nan 0.000 0.446 413 N N -0.169 118.585 118.700 0.090 0.000 2.205 413 N HA -0.163 4.577 4.740 -0.000 0.000 0.186 413 N C 1.670 177.198 175.510 0.029 0.000 1.015 413 N CA 1.476 54.556 53.050 0.048 0.000 0.862 413 N CB -0.021 38.484 38.487 0.030 0.000 0.986 413 N HN 0.283 nan 8.380 nan 0.000 0.429 414 C N -1.674 117.643 119.300 0.029 0.000 2.609 414 C HA 0.239 4.699 4.460 -0.000 0.000 0.305 414 C C 0.287 175.171 174.990 -0.177 0.000 1.319 414 C CA -0.433 58.533 59.018 -0.087 0.000 1.793 414 C CB -0.671 26.983 27.740 -0.144 0.000 2.260 414 C HN 0.417 nan 8.230 nan 0.000 0.535 415 H N 0.868 119.980 119.070 0.070 0.000 2.702 415 H HA 0.340 4.896 4.556 -0.000 0.000 0.252 415 H C 1.003 176.353 175.328 0.036 0.000 1.493 415 H CA 0.263 56.315 56.048 0.007 0.000 1.273 415 H CB 0.550 30.363 29.762 0.086 0.000 1.537 415 H HN 0.365 nan 8.280 nan 0.000 0.547 416 A N 2.563 125.417 122.820 0.057 0.000 2.121 416 A HA -0.126 4.194 4.320 -0.000 0.000 0.218 416 A C 2.083 179.701 177.584 0.057 0.000 1.154 416 A CA 0.789 52.859 52.037 0.056 0.000 0.679 416 A CB 0.047 19.055 19.000 0.014 0.000 0.795 416 A HN 0.573 nan 8.150 nan 0.000 0.458 417 E N -1.490 118.711 120.200 0.001 0.000 2.482 417 E HA -0.090 4.260 4.350 -0.000 0.000 0.196 417 E C -0.343 176.326 176.600 0.115 0.000 1.047 417 E CA 0.011 56.400 56.400 -0.019 0.000 0.869 417 E CB -0.124 29.487 29.700 -0.149 0.000 0.836 417 E HN 0.608 nan 8.360 nan 0.000 0.520 418 W N 2.451 123.793 121.300 0.071 0.000 2.627 418 W HA 0.335 4.994 4.660 -0.000 0.000 0.339 418 W C 0.446 176.987 176.519 0.037 0.000 1.058 418 W CA -1.294 56.081 57.345 0.049 0.000 1.223 418 W CB 1.371 30.863 29.460 0.054 0.000 1.389 418 W HN -0.162 nan 8.180 nan 0.000 0.541 419 T N -1.986 112.708 114.554 0.233 0.000 2.788 419 T HA 0.106 4.456 4.350 -0.000 0.000 0.280 419 T C 1.045 175.777 174.700 0.052 0.000 0.984 419 T CA -0.241 61.922 62.100 0.105 0.000 0.972 419 T CB 1.468 70.360 68.868 0.039 0.000 1.039 419 T HN 0.566 nan 8.240 nan 0.000 0.530 420 E N 0.272 120.484 120.200 0.021 0.000 2.058 420 E HA -0.228 4.122 4.350 -0.000 0.000 0.194 420 E C 1.387 177.942 176.600 -0.074 0.000 0.997 420 E CA 1.672 58.063 56.400 -0.014 0.000 0.801 420 E CB -0.235 29.459 29.700 -0.010 0.000 0.746 420 E HN 0.684 nan 8.360 nan 0.000 0.450 421 D N 0.281 120.637 120.400 -0.074 0.000 2.149 421 D HA -0.181 4.459 4.640 -0.000 0.000 0.198 421 D C 2.026 178.225 176.300 -0.168 0.000 0.990 421 D CA 1.100 55.040 54.000 -0.100 0.000 0.839 421 D CB -0.228 40.516 40.800 -0.092 0.000 0.948 421 D HN 0.369 nan 8.370 nan 0.000 0.460 422 Q N 0.056 119.710 119.800 -0.243 0.000 2.079 422 Q HA -0.051 4.289 4.340 -0.000 0.000 0.200 422 Q C 2.212 177.721 176.000 -0.818 0.000 0.974 422 Q CA 1.375 56.903 55.803 -0.458 0.000 0.840 422 Q CB -0.090 28.382 28.738 -0.443 0.000 0.898 422 Q HN 0.234 nan 8.270 nan 0.000 0.430 423 A N 0.786 123.153 122.820 -0.755 0.000 1.930 423 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 423 A C 2.061 179.390 177.584 -0.425 0.000 1.175 423 A CA 0.945 52.499 52.037 -0.804 0.000 0.627 423 A CB -0.616 18.247 19.000 -0.228 0.000 0.815 423 A HN 0.272 nan 8.150 nan 0.000 0.443 424 L N -2.181 118.898 121.223 -0.240 0.000 2.042 424 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 424 L C 2.582 179.406 176.870 -0.076 0.000 1.076 424 L CA 1.803 56.560 54.840 -0.138 0.000 0.749 424 L CB -0.643 41.368 42.059 -0.081 0.000 0.893 424 L HN 0.569 nan 8.230 nan 0.000 0.432 425 Y N 0.613 120.776 120.300 -0.229 0.000 2.181 425 Y HA -0.261 4.289 4.550 -0.000 0.000 0.288 425 Y C 2.498 178.338 175.900 -0.101 0.000 1.146 425 Y CA 1.192 59.207 58.100 -0.142 0.000 1.164 425 Y CB -0.260 38.106 38.460 -0.157 0.000 0.982 425 Y HN 0.110 nan 8.280 nan 0.000 0.515 426 A N 0.328 123.067 122.820 -0.135 0.000 1.908 426 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 426 A C 2.279 179.907 177.584 0.073 0.000 1.181 426 A CA 2.017 53.993 52.037 -0.103 0.000 0.627 426 A CB -1.139 17.687 19.000 -0.289 0.000 0.818 426 A HN 0.558 nan 8.150 nan 0.000 0.445 427 I N -0.032 120.551 120.570 0.020 0.000 2.127 427 I HA -0.272 3.898 4.170 -0.000 0.000 0.241 427 I C 1.900 178.067 176.117 0.083 0.000 1.075 427 I CA 1.714 63.045 61.300 0.053 0.000 1.334 427 I CB -0.539 37.324 38.000 -0.228 0.000 1.040 427 I HN 0.251 nan 8.210 nan 0.000 0.405 428 D N -0.142 120.254 120.400 -0.006 0.000 2.178 428 D HA -0.220 4.420 4.640 -0.000 0.000 0.201 428 D C 1.923 178.221 176.300 -0.004 0.000 0.980 428 D CA 1.222 55.210 54.000 -0.021 0.000 0.842 428 D CB -0.332 40.432 40.800 -0.060 0.000 0.948 428 D HN 0.358 nan 8.370 nan 0.000 0.472 429 Y N 1.350 121.555 120.300 -0.157 0.000 2.128 429 Y HA -0.199 4.351 4.550 -0.000 0.000 0.284 429 Y C 2.251 178.160 175.900 0.014 0.000 1.154 429 Y CA 1.367 59.382 58.100 -0.142 0.000 1.149 429 Y CB -0.320 38.021 38.460 -0.198 0.000 0.976 429 Y HN -0.095 nan 8.280 nan 0.000 0.505 430 I N -0.083 120.684 120.570 0.329 0.000 2.202 430 I HA -0.315 3.855 4.170 -0.000 0.000 0.242 430 I C 2.316 178.573 176.117 0.233 0.000 1.091 430 I CA 1.601 63.086 61.300 0.307 0.000 1.368 430 I CB -0.376 37.812 38.000 0.312 0.000 1.058 430 I HN 0.140 nan 8.210 nan 0.000 0.410 431 K N 0.471 120.981 120.400 0.183 0.000 2.057 431 K HA -0.127 4.193 4.320 -0.000 0.000 0.206 431 K C 1.910 178.571 176.600 0.102 0.000 1.050 431 K CA 1.256 57.620 56.287 0.129 0.000 0.935 431 K CB -0.243 32.299 32.500 0.070 0.000 0.715 431 K HN 0.271 nan 8.250 nan 0.000 0.439 432 N N 0.603 119.339 118.700 0.059 0.000 2.084 432 N HA -0.188 4.552 4.740 -0.000 0.000 0.190 432 N C 1.691 177.236 175.510 0.059 0.000 1.030 432 N CA 1.140 54.211 53.050 0.036 0.000 0.849 432 N CB -0.494 37.962 38.487 -0.053 0.000 1.012 432 N HN 0.219 nan 8.380 nan 0.000 0.423 433 Y N 1.934 122.184 120.300 -0.084 0.000 2.145 433 Y HA -0.173 4.377 4.550 -0.000 0.000 0.286 433 Y C 2.251 178.140 175.900 -0.017 0.000 1.145 433 Y CA 1.710 59.760 58.100 -0.084 0.000 1.148 433 Y CB -0.683 37.715 38.460 -0.104 0.000 0.981 433 Y HN 0.000 nan 8.280 nan 0.000 0.507 434 T N -1.054 113.482 114.554 -0.029 0.000 2.777 434 T HA -0.211 4.139 4.350 -0.000 0.000 0.266 434 T C 1.542 176.209 174.700 -0.056 0.000 1.040 434 T CA 1.785 63.820 62.100 -0.108 0.000 1.141 434 T CB -0.599 68.282 68.868 0.022 0.000 0.868 434 T HN 0.530 nan 8.240 nan 0.000 0.444 435 H N 1.060 120.101 119.070 -0.048 0.000 2.353 435 H HA 0.027 4.583 4.556 -0.000 0.000 0.300 435 H C 2.357 177.665 175.328 -0.032 0.000 1.090 435 H CA 1.689 57.731 56.048 -0.009 0.000 1.327 435 H CB -0.797 28.967 29.762 0.003 0.000 1.383 435 H HN 0.326 nan 8.280 nan 0.000 0.508 436 G N 0.696 109.413 108.800 -0.137 0.000 2.440 436 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.218 436 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.218 436 G C 1.583 176.360 174.900 -0.205 0.000 1.154 436 G CA 0.863 45.851 45.100 -0.187 0.000 0.767 436 G HN 0.292 nan 8.290 nan 0.000 0.552 437 K N 0.330 120.573 120.400 -0.262 0.000 2.155 437 K HA 0.144 4.464 4.320 -0.000 0.000 0.203 437 K C 2.408 178.988 176.600 -0.033 0.000 1.052 437 K CA 0.317 56.493 56.287 -0.184 0.000 0.948 437 K CB -0.433 31.888 32.500 -0.298 0.000 0.728 437 K HN 0.412 nan 8.250 nan 0.000 0.448 438 I N 0.749 121.308 120.570 -0.018 0.000 2.163 438 I HA -0.272 3.898 4.170 -0.000 0.000 0.243 438 I C 2.242 178.424 176.117 0.107 0.000 1.085 438 I CA 1.033 62.428 61.300 0.157 0.000 1.347 438 I CB -0.374 37.727 38.000 0.168 0.000 1.044 438 I HN -0.165 nan 8.210 nan 0.000 0.408 439 V N 0.855 120.708 119.914 -0.102 0.000 2.343 439 V HA -0.292 3.828 4.120 -0.000 0.000 0.247 439 V C 2.410 178.515 176.094 0.018 0.000 1.051 439 V CA 1.869 64.117 62.300 -0.086 0.000 1.036 439 V CB -0.658 31.042 31.823 -0.206 0.000 0.654 439 V HN 0.386 nan 8.190 nan 0.000 0.451 440 K N -0.117 120.304 120.400 0.035 0.000 2.097 440 K HA -0.117 4.203 4.320 -0.000 0.000 0.205 440 K C 2.415 179.191 176.600 0.294 0.000 1.050 440 K CA 1.564 57.946 56.287 0.159 0.000 0.938 440 K CB -0.286 32.298 32.500 0.141 0.000 0.718 440 K HN 0.371 nan 8.250 nan 0.000 0.442 441 S N 1.326 117.151 115.700 0.208 0.000 2.383 441 S HA -0.164 4.306 4.470 -0.000 0.000 0.229 441 S C 1.697 176.312 174.600 0.026 0.000 1.030 441 S CA 1.326 59.649 58.200 0.205 0.000 1.002 441 S CB -0.159 63.214 63.200 0.289 0.000 0.829 441 S HN 0.345 nan 8.310 nan 0.000 0.467 442 E N -0.236 119.908 120.200 -0.093 0.000 2.106 442 E HA -0.154 4.196 4.350 -0.000 0.000 0.192 442 E C 1.843 178.353 176.600 -0.150 0.000 0.984 442 E CA 1.016 57.246 56.400 -0.284 0.000 0.806 442 E CB -0.253 29.333 29.700 -0.190 0.000 0.750 442 E HN 0.654 nan 8.360 nan 0.000 0.458 443 Y N 0.138 120.350 120.300 -0.147 0.000 2.128 443 Y HA -0.280 4.270 4.550 -0.000 0.000 0.284 443 Y C 1.675 177.394 175.900 -0.301 0.000 1.154 443 Y CA 1.778 59.733 58.100 -0.242 0.000 1.149 443 Y CB -0.452 37.824 38.460 -0.307 0.000 0.976 443 Y HN 0.052 nan 8.280 nan 0.000 0.505 444 W N -0.004 121.223 121.300 -0.122 0.000 2.409 444 W HA -0.100 4.560 4.660 -0.000 0.000 0.299 444 W C 2.363 178.745 176.519 -0.228 0.000 1.203 444 W CA 1.113 58.353 57.345 -0.175 0.000 1.298 444 W CB -0.519 28.945 29.460 0.006 0.000 1.127 444 W HN 0.054 nan 8.180 nan 0.000 0.528 445 L N -0.048 121.162 121.223 -0.023 0.000 2.012 445 L HA -0.260 4.080 4.340 -0.000 0.000 0.210 445 L C 2.630 179.357 176.870 -0.237 0.000 1.073 445 L CA 1.580 56.326 54.840 -0.157 0.000 0.748 445 L CB -1.014 40.876 42.059 -0.282 0.000 0.891 445 L HN 0.019 nan 8.230 nan 0.000 0.431 446 A N -0.408 122.244 122.820 -0.280 0.000 1.933 446 A HA -0.255 4.064 4.320 -0.000 0.000 0.218 446 A C 2.354 179.771 177.584 -0.278 0.000 1.175 446 A CA 1.924 53.803 52.037 -0.262 0.000 0.628 446 A CB -0.421 18.426 19.000 -0.255 0.000 0.814 446 A HN 0.359 nan 8.150 nan 0.000 0.444 447 K N -0.790 119.367 120.400 -0.405 0.000 2.057 447 K HA -0.115 4.205 4.320 -0.000 0.000 0.206 447 K C 2.145 178.643 176.600 -0.170 0.000 1.050 447 K CA 1.555 57.615 56.287 -0.378 0.000 0.935 447 K CB -0.263 31.866 32.500 -0.619 0.000 0.715 447 K HN 0.507 nan 8.250 nan 0.000 0.439 448 M N 0.848 120.385 119.600 -0.105 0.000 2.065 448 M HA -0.196 4.284 4.480 -0.000 0.000 0.259 448 M C 1.959 178.268 176.300 0.016 0.000 1.069 448 M CA 1.716 56.996 55.300 -0.032 0.000 1.110 448 M CB -0.197 32.391 32.600 -0.019 0.000 1.328 448 M HN 0.213 nan 8.290 nan 0.000 0.405 449 I N 0.727 121.236 120.570 -0.102 0.000 2.163 449 I HA -0.353 3.817 4.170 -0.000 0.000 0.243 449 I C 1.734 177.878 176.117 0.044 0.000 1.085 449 I CA 1.523 62.766 61.300 -0.095 0.000 1.347 449 I CB -0.674 37.191 38.000 -0.226 0.000 1.044 449 I HN 0.312 nan 8.210 nan 0.000 0.408 450 D N 0.588 120.976 120.400 -0.020 0.000 2.218 450 D HA -0.125 4.514 4.640 -0.000 0.000 0.204 450 D C 2.225 178.531 176.300 0.010 0.000 0.976 450 D CA 1.086 55.079 54.000 -0.011 0.000 0.853 450 D CB -0.185 40.577 40.800 -0.065 0.000 0.939 450 D HN 0.334 nan 8.370 nan 0.000 0.481 451 L N -0.641 120.584 121.223 0.003 0.000 2.291 451 L HA -0.074 4.266 4.340 -0.000 0.000 0.214 451 L C 2.027 178.871 176.870 -0.045 0.000 1.120 451 L CA 0.232 55.046 54.840 -0.043 0.000 0.799 451 L CB -0.225 41.773 42.059 -0.102 0.000 0.925 451 L HN -0.056 nan 8.230 nan 0.000 0.446 452 F N 0.675 120.588 119.950 -0.061 0.000 2.102 452 F HA -0.136 4.391 4.527 -0.000 0.000 0.298 452 F C -0.132 175.654 175.800 -0.023 0.000 1.105 452 F CA 1.784 59.759 58.000 -0.042 0.000 1.239 452 F CB -1.675 37.300 39.000 -0.041 0.000 0.991 452 F HN 0.113 nan 8.300 nan 0.000 0.474 453 P HA -0.109 nan 4.420 nan 0.000 0.217 453 P C 1.941 179.261 177.300 0.033 0.000 1.151 453 P CA 1.272 64.422 63.100 0.084 0.000 0.828 453 P CB -0.050 31.688 31.700 0.065 0.000 0.788 454 V N 0.614 120.534 119.914 0.010 0.000 2.287 454 V HA -0.296 3.824 4.120 -0.000 0.000 0.248 454 V C 2.541 178.616 176.094 -0.033 0.000 1.053 454 V CA 2.404 64.695 62.300 -0.016 0.000 1.027 454 V CB -1.833 29.973 31.823 -0.028 0.000 0.646 454 V HN 0.112 nan 8.190 nan 0.000 0.447 455 A N -0.062 122.719 122.820 -0.064 0.000 1.883 455 A HA -0.234 4.086 4.320 -0.000 0.000 0.217 455 A C 2.474 180.027 177.584 -0.051 0.000 1.186 455 A CA 2.429 54.410 52.037 -0.093 0.000 0.624 455 A CB -0.606 18.276 19.000 -0.196 0.000 0.822 455 A HN 0.433 nan 8.150 nan 0.000 0.444 456 K N -0.583 119.807 120.400 -0.017 0.000 2.032 456 K HA -0.119 4.201 4.320 -0.000 0.000 0.209 456 K C 2.218 178.821 176.600 0.004 0.000 1.048 456 K CA 1.827 58.121 56.287 0.012 0.000 0.927 456 K CB -0.581 31.950 32.500 0.052 0.000 0.712 456 K HN 0.679 nan 8.250 nan 0.000 0.441 457 R N -0.148 120.355 120.500 0.004 0.000 2.235 457 R HA 0.126 4.466 4.340 -0.000 0.000 0.213 457 R C 2.170 178.466 176.300 -0.006 0.000 1.059 457 R CA 0.907 57.008 56.100 0.002 0.000 0.997 457 R CB -0.152 30.150 30.300 0.004 0.000 0.884 457 R HN 0.338 nan 8.270 nan 0.000 0.462 458 A N 0.060 122.872 122.820 -0.015 0.000 2.251 458 A HA 0.245 4.565 4.320 -0.000 0.000 0.209 458 A C 1.318 178.891 177.584 -0.018 0.000 1.187 458 A CA 0.584 52.610 52.037 -0.018 0.000 0.823 458 A CB -0.045 18.939 19.000 -0.027 0.000 0.846 458 A HN 0.375 nan 8.150 nan 0.000 0.486 459 G N -0.833 107.958 108.800 -0.015 0.000 2.147 459 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.244 459 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.244 459 G C 0.221 175.108 174.900 -0.020 0.000 1.005 459 G CA 0.114 45.206 45.100 -0.014 0.000 0.713 459 G HN 0.750 nan 8.290 nan 0.000 0.515 460 V N 1.494 121.389 119.914 -0.032 0.000 2.788 460 V HA 0.346 4.466 4.120 -0.000 0.000 0.307 460 V C 1.557 177.632 176.094 -0.032 0.000 1.069 460 V CA 0.576 62.849 62.300 -0.043 0.000 1.173 460 V CB 1.120 32.898 31.823 -0.075 0.000 0.925 460 V HN 1.141 nan 8.190 nan 0.000 0.492 461 S N 2.820 118.503 115.700 -0.029 0.000 2.585 461 S HA 0.127 4.597 4.470 -0.000 0.000 0.273 461 S C 0.941 175.534 174.600 -0.013 0.000 1.339 461 S CA -0.134 58.056 58.200 -0.018 0.000 1.028 461 S CB 1.083 64.274 63.200 -0.016 0.000 0.906 461 S HN 0.764 nan 8.310 nan 0.000 0.528 462 E N 1.189 121.388 120.200 -0.001 0.000 2.118 462 E HA -0.162 4.188 4.350 -0.000 0.000 0.195 462 E C 1.103 177.707 176.600 0.007 0.000 0.992 462 E CA 1.813 58.219 56.400 0.009 0.000 0.804 462 E CB -0.349 29.357 29.700 0.011 0.000 0.741 462 E HN 0.762 nan 8.360 nan 0.000 0.458 463 D N -0.773 119.627 120.400 -0.001 0.000 2.104 463 D HA -0.143 4.497 4.640 -0.000 0.000 0.194 463 D C 1.943 178.240 176.300 -0.005 0.000 0.994 463 D CA 1.271 55.270 54.000 -0.002 0.000 0.830 463 D CB -0.291 40.506 40.800 -0.005 0.000 0.959 463 D HN 0.115 nan 8.370 nan 0.000 0.452 464 V N 0.830 120.733 119.914 -0.018 0.000 2.307 464 V HA -0.187 3.933 4.120 -0.000 0.000 0.245 464 V C 2.617 178.687 176.094 -0.040 0.000 1.045 464 V CA 1.032 63.311 62.300 -0.035 0.000 1.024 464 V CB -0.432 31.357 31.823 -0.057 0.000 0.651 464 V HN 0.212 nan 8.190 nan 0.000 0.449 465 L N 0.237 121.442 121.223 -0.031 0.000 2.042 465 L HA -0.201 4.139 4.340 -0.000 0.000 0.210 465 L C 2.463 179.409 176.870 0.126 0.000 1.076 465 L CA 1.558 56.410 54.840 0.019 0.000 0.749 465 L CB -0.793 41.311 42.059 0.074 0.000 0.893 465 L HN 0.408 nan 8.230 nan 0.000 0.432 466 N N -0.163 118.580 118.700 0.071 0.000 2.188 466 N HA -0.181 4.559 4.740 -0.000 0.000 0.184 466 N C 1.891 177.436 175.510 0.059 0.000 1.018 466 N CA 1.087 54.174 53.050 0.061 0.000 0.858 466 N CB -0.164 38.336 38.487 0.023 0.000 0.989 466 N HN 0.455 nan 8.380 nan 0.000 0.426 467 Q N 0.505 120.329 119.800 0.040 0.000 2.061 467 Q HA -0.037 4.303 4.340 -0.000 0.000 0.204 467 Q C 2.087 178.131 176.000 0.073 0.000 0.984 467 Q CA 1.677 57.502 55.803 0.038 0.000 0.846 467 Q CB -0.139 28.607 28.738 0.014 0.000 0.902 467 Q HN 0.390 nan 8.270 nan 0.000 0.421 468 A N 1.035 123.907 122.820 0.086 0.000 1.933 468 A HA -0.202 4.118 4.320 -0.000 0.000 0.218 468 A C 1.954 179.740 177.584 0.337 0.000 1.175 468 A CA 1.332 53.466 52.037 0.161 0.000 0.628 468 A CB -0.394 18.606 19.000 -0.001 0.000 0.814 468 A HN 0.228 nan 8.150 nan 0.000 0.444 469 R N -0.408 120.291 120.500 0.332 0.000 2.105 469 R HA -0.115 4.225 4.340 -0.000 0.000 0.239 469 R C 2.023 178.397 176.300 0.123 0.000 1.135 469 R CA 1.365 57.582 56.100 0.195 0.000 0.967 469 R CB -0.246 30.101 30.300 0.078 0.000 0.861 469 R HN 0.510 nan 8.270 nan 0.000 0.442 470 E N 0.857 121.116 120.200 0.098 0.000 2.072 470 E HA -0.153 4.197 4.350 -0.000 0.000 0.191 470 E C 2.153 178.841 176.600 0.146 0.000 0.985 470 E CA 0.974 57.420 56.400 0.076 0.000 0.801 470 E CB -0.151 29.572 29.700 0.038 0.000 0.750 470 E HN 0.351 nan 8.360 nan 0.000 0.452 471 L N 0.110 121.428 121.223 0.159 0.000 2.083 471 L HA -0.204 4.136 4.340 -0.000 0.000 0.209 471 L C 2.657 179.678 176.870 0.250 0.000 1.083 471 L CA 1.306 56.256 54.840 0.182 0.000 0.752 471 L CB -0.553 41.591 42.059 0.141 0.000 0.899 471 L HN 0.282 nan 8.230 nan 0.000 0.433 472 H N -1.332 117.806 119.070 0.114 0.000 2.352 472 H HA -0.287 4.269 4.556 -0.000 0.000 0.299 472 H C 2.327 177.699 175.328 0.074 0.000 1.097 472 H CA 1.733 57.814 56.048 0.056 0.000 1.311 472 H CB 0.063 29.782 29.762 -0.073 0.000 1.377 472 H HN 0.297 nan 8.280 nan 0.000 0.504 473 Y N 1.710 122.015 120.300 0.008 0.000 2.114 473 Y HA -0.286 4.264 4.550 -0.000 0.000 0.282 473 Y C 1.986 177.911 175.900 0.042 0.000 1.165 473 Y CA 2.203 60.259 58.100 -0.073 0.000 1.148 473 Y CB -0.329 38.077 38.460 -0.090 0.000 0.972 473 Y HN 0.312 nan 8.280 nan 0.000 0.504 474 D N -0.359 120.247 120.400 0.342 0.000 2.123 474 D HA -0.087 4.553 4.640 -0.000 0.000 0.200 474 D C 2.277 178.741 176.300 0.273 0.000 0.976 474 D CA 1.346 55.520 54.000 0.291 0.000 0.831 474 D CB -0.608 40.436 40.800 0.408 0.000 0.974 474 D HN 0.456 nan 8.370 nan 0.000 0.469 475 A N 0.174 123.178 122.820 0.307 0.000 1.902 475 A HA -0.228 4.092 4.320 -0.000 0.000 0.217 475 A C 2.033 179.823 177.584 0.343 0.000 1.181 475 A CA 1.948 54.176 52.037 0.318 0.000 0.623 475 A CB -0.891 18.260 19.000 0.251 0.000 0.818 475 A HN 0.350 nan 8.150 nan 0.000 0.443 476 H N -0.660 118.553 119.070 0.239 0.000 2.270 476 H HA -0.119 4.437 4.556 -0.000 0.000 0.299 476 H C 1.866 177.285 175.328 0.152 0.000 1.077 476 H CA 1.943 58.153 56.048 0.270 0.000 1.294 476 H CB -0.277 29.500 29.762 0.025 0.000 1.371 476 H HN 0.303 nan 8.280 nan 0.000 0.491 477 L N -0.099 121.086 121.223 -0.064 0.000 2.013 477 L HA -0.238 4.102 4.340 -0.000 0.000 0.212 477 L C 1.568 178.282 176.870 -0.259 0.000 1.073 477 L CA 1.793 56.445 54.840 -0.315 0.000 0.753 477 L CB -1.031 40.681 42.059 -0.578 0.000 0.890 477 L HN 0.371 nan 8.230 nan 0.000 0.432 478 Y N -2.473 117.912 120.300 0.141 0.000 2.561 478 Y HA -0.102 4.448 4.550 -0.000 0.000 0.291 478 Y C 1.896 178.015 175.900 0.366 0.000 1.141 478 Y CA 0.716 58.934 58.100 0.198 0.000 1.303 478 Y CB -0.803 37.783 38.460 0.210 0.000 1.015 478 Y HN 0.515 nan 8.280 nan 0.000 0.547 479 W N 0.838 122.272 121.300 0.223 0.000 2.601 479 W HA 0.067 4.727 4.660 -0.000 0.000 0.292 479 W C 2.076 178.680 176.519 0.141 0.000 1.153 479 W CA 1.008 58.485 57.345 0.219 0.000 1.448 479 W CB -0.546 28.977 29.460 0.106 0.000 1.113 479 W HN -0.075 nan 8.180 nan 0.000 0.548 480 E N 0.054 119.818 120.200 -0.726 0.000 2.204 480 E HA -0.245 4.105 4.350 -0.000 0.000 0.194 480 E C 1.986 178.108 176.600 -0.797 0.000 0.989 480 E CA 1.274 56.853 56.400 -1.368 0.000 0.824 480 E CB -0.845 28.149 29.700 -1.176 0.000 0.756 480 E HN 0.460 nan 8.360 nan 0.000 0.477 481 W N 0.187 121.001 121.300 -0.811 0.000 2.308 481 W HA -0.251 4.409 4.660 -0.000 0.000 0.301 481 W C 0.857 176.740 176.519 -1.059 0.000 1.220 481 W CA 1.400 58.151 57.345 -0.991 0.000 1.240 481 W CB -0.507 28.223 29.460 -1.216 0.000 1.142 481 W HN 0.250 nan 8.180 nan 0.000 0.521 482 W N -0.141 121.090 121.300 -0.116 0.000 2.640 482 W HA -0.070 4.590 4.660 -0.000 0.000 0.268 482 W C 2.752 179.171 176.519 -0.167 0.000 1.263 482 W CA 1.858 59.161 57.345 -0.071 0.000 1.344 482 W CB -0.859 28.610 29.460 0.016 0.000 1.093 482 W HN -0.222 nan 8.180 nan 0.000 0.603 483 T N -2.387 112.022 114.554 -0.241 0.000 2.985 483 T HA 0.137 4.487 4.350 -0.000 0.000 0.266 483 T C 1.904 176.474 174.700 -0.217 0.000 1.076 483 T CA 1.029 63.009 62.100 -0.200 0.000 1.135 483 T CB -0.512 68.183 68.868 -0.287 0.000 0.890 483 T HN 0.041 nan 8.240 nan 0.000 0.480 484 A N 1.314 123.926 122.820 -0.346 0.000 1.897 484 A HA 0.078 4.398 4.320 -0.000 0.000 0.215 484 A C 1.463 178.905 177.584 -0.236 0.000 1.181 484 A CA 0.491 52.347 52.037 -0.301 0.000 0.620 484 A CB -0.295 18.391 19.000 -0.523 0.000 0.821 484 A HN 0.462 nan 8.150 nan 0.000 0.443 485 E N 0.519 120.535 120.200 -0.307 0.000 2.354 485 E HA 0.073 4.423 4.350 -0.000 0.000 0.269 485 E C -0.208 176.388 176.600 -0.006 0.000 1.036 485 E CA -0.236 56.057 56.400 -0.178 0.000 0.876 485 E CB 0.357 29.912 29.700 -0.242 0.000 1.009 485 E HN 0.397 nan 8.360 nan 0.000 0.416 486 N N 1.152 119.877 118.700 0.041 0.000 2.373 486 N HA -0.071 4.669 4.740 -0.000 0.000 0.181 486 N C 1.197 176.699 175.510 -0.012 0.000 1.082 486 N CA 0.405 53.471 53.050 0.027 0.000 0.885 486 N CB 0.341 38.858 38.487 0.049 0.000 0.977 486 N HN 0.368 nan 8.380 nan 0.000 0.462 487 S N -0.154 115.510 115.700 -0.060 0.000 2.593 487 S HA 0.031 4.501 4.470 -0.000 0.000 0.217 487 S C 0.922 175.539 174.600 0.028 0.000 0.966 487 S CA -0.182 57.911 58.200 -0.179 0.000 0.914 487 S CB -0.165 62.597 63.200 -0.731 0.000 0.776 487 S HN -0.010 nan 8.310 nan 0.000 0.523 488 V N 1.101 121.078 119.914 0.106 0.000 5.479 488 V HA -0.181 3.939 4.120 -0.000 0.000 0.289 488 V C 1.587 177.796 176.094 0.190 0.000 0.595 488 V CA 0.655 63.052 62.300 0.161 0.000 0.649 488 V CB -2.919 28.966 31.823 0.103 0.000 0.390 488 V HN 1.198 nan 8.190 nan 0.000 0.974 489 G N -0.457 108.494 108.800 0.252 0.000 2.241 489 G HA2 -0.408 3.552 3.960 -0.000 0.000 0.244 489 G HA3 -0.408 3.552 3.960 -0.000 0.000 0.244 489 G C 0.404 175.433 174.900 0.215 0.000 0.998 489 G CA 0.599 45.814 45.100 0.191 0.000 0.621 489 G HN 1.196 nan 8.290 nan 0.000 0.519 490 F N 1.459 121.463 119.950 0.090 0.000 2.161 490 F HA -0.009 4.518 4.527 -0.000 0.000 0.300 490 F C 2.428 178.387 175.800 0.265 0.000 1.089 490 F CA 2.585 60.657 58.000 0.119 0.000 1.282 490 F CB -0.232 38.793 39.000 0.043 0.000 1.010 490 F HN 0.461 nan 8.300 nan 0.000 0.485 491 H N -1.760 117.532 119.070 0.370 0.000 2.456 491 H HA -0.070 4.486 4.556 -0.000 0.000 0.296 491 H C 0.294 175.803 175.328 0.302 0.000 1.079 491 H CA 0.897 57.184 56.048 0.398 0.000 1.322 491 H CB 0.041 30.059 29.762 0.426 0.000 1.388 491 H HN 0.048 nan 8.280 nan 0.000 0.538 492 N N -1.087 117.810 118.700 0.329 0.000 2.946 492 N HA 0.017 4.757 4.740 -0.000 0.000 0.213 492 N C -2.378 173.197 175.510 0.108 0.000 1.440 492 N CA -1.122 52.056 53.050 0.214 0.000 0.745 492 N CB 0.722 39.388 38.487 0.298 0.000 1.471 492 N HN -0.029 nan 8.380 nan 0.000 0.569 493 P HA -0.049 nan 4.420 nan 0.000 0.217 493 P C 0.534 177.831 177.300 -0.005 0.000 1.150 493 P CA 1.059 64.166 63.100 0.013 0.000 0.832 493 P CB 0.641 32.353 31.700 0.019 0.000 0.787 494 D N -0.159 120.247 120.400 0.010 0.000 2.144 494 D HA -0.160 4.480 4.640 -0.000 0.000 0.200 494 D C 2.175 178.491 176.300 0.026 0.000 0.978 494 D CA 0.955 54.967 54.000 0.019 0.000 0.833 494 D CB -0.420 40.392 40.800 0.022 0.000 0.961 494 D HN 0.322 nan 8.370 nan 0.000 0.470 495 Q N 0.508 120.339 119.800 0.052 0.000 2.083 495 Q HA -0.071 4.269 4.340 -0.000 0.000 0.198 495 Q C 2.100 178.006 176.000 -0.157 0.000 0.969 495 Q CA 1.208 57.087 55.803 0.128 0.000 0.838 495 Q CB 0.020 28.912 28.738 0.256 0.000 0.900 495 Q HN 0.160 nan 8.270 nan 0.000 0.436 496 A N 1.370 123.833 122.820 -0.595 0.000 1.908 496 A HA -0.244 4.076 4.320 -0.000 0.000 0.218 496 A C 2.113 179.261 177.584 -0.726 0.000 1.181 496 A CA 1.681 52.815 52.037 -1.506 0.000 0.627 496 A CB -0.686 17.600 19.000 -1.190 0.000 0.818 496 A HN 0.423 nan 8.150 nan 0.000 0.445 497 R N -0.366 119.960 120.500 -0.291 0.000 2.066 497 R HA -0.173 4.167 4.340 -0.000 0.000 0.232 497 R C 2.241 178.510 176.300 -0.053 0.000 1.131 497 R CA 1.827 57.870 56.100 -0.095 0.000 0.955 497 R CB -0.326 30.040 30.300 0.109 0.000 0.851 497 R HN 0.707 nan 8.270 nan 0.000 0.432 498 E N -0.252 119.955 120.200 0.011 0.000 2.077 498 E HA -0.189 4.161 4.350 -0.000 0.000 0.193 498 E C 1.876 178.569 176.600 0.154 0.000 0.989 498 E CA 1.512 57.963 56.400 0.084 0.000 0.800 498 E CB -0.125 29.651 29.700 0.127 0.000 0.746 498 E HN 0.272 nan 8.360 nan 0.000 0.452 499 S N -0.057 115.763 115.700 0.200 0.000 2.353 499 S HA -0.150 4.320 4.470 -0.000 0.000 0.222 499 S C 1.987 176.672 174.600 0.142 0.000 1.035 499 S CA 1.323 59.627 58.200 0.174 0.000 1.025 499 S CB -0.297 63.056 63.200 0.255 0.000 0.902 499 S HN 0.331 nan 8.310 nan 0.000 0.440 500 L N 0.699 121.912 121.223 -0.017 0.000 2.093 500 L HA -0.033 4.307 4.340 -0.000 0.000 0.208 500 L C 2.732 179.637 176.870 0.057 0.000 1.085 500 L CA 1.160 56.031 54.840 0.051 0.000 0.755 500 L CB -0.434 41.580 42.059 -0.075 0.000 0.904 500 L HN 0.379 nan 8.230 nan 0.000 0.435 501 M N -1.008 118.597 119.600 0.008 0.000 2.213 501 M HA -0.173 4.307 4.480 -0.000 0.000 0.263 501 M C 2.220 178.523 176.300 0.005 0.000 1.062 501 M CA 1.700 57.000 55.300 -0.000 0.000 1.105 501 M CB -0.571 32.023 32.600 -0.009 0.000 1.385 501 M HN 0.253 nan 8.290 nan 0.000 0.417 502 T N -0.402 114.165 114.554 0.021 0.000 2.777 502 T HA -0.124 4.226 4.350 -0.000 0.000 0.266 502 T C 1.931 176.698 174.700 0.112 0.000 1.040 502 T CA 1.731 63.833 62.100 0.002 0.000 1.141 502 T CB -0.272 68.506 68.868 -0.149 0.000 0.868 502 T HN 0.403 nan 8.240 nan 0.000 0.444 503 S N 0.904 116.739 115.700 0.225 0.000 2.365 503 S HA -0.109 4.361 4.470 -0.000 0.000 0.225 503 S C 2.049 176.747 174.600 0.164 0.000 1.039 503 S CA 1.196 59.574 58.200 0.297 0.000 1.033 503 S CB -0.561 62.865 63.200 0.376 0.000 0.887 503 S HN 0.464 nan 8.310 nan 0.000 0.447 504 I N 1.009 121.630 120.570 0.086 0.000 2.226 504 I HA -0.144 4.026 4.170 -0.000 0.000 0.245 504 I C 2.641 178.656 176.117 -0.170 0.000 1.100 504 I CA 1.217 62.488 61.300 -0.048 0.000 1.374 504 I CB -0.454 37.491 38.000 -0.092 0.000 1.057 504 I HN 0.289 nan 8.210 nan 0.000 0.413 505 S N 0.639 116.276 115.700 -0.104 0.000 2.359 505 S HA -0.174 4.296 4.470 -0.000 0.000 0.224 505 S C 2.002 176.566 174.600 -0.060 0.000 1.035 505 S CA 1.196 59.330 58.200 -0.110 0.000 1.018 505 S CB -0.172 62.990 63.200 -0.064 0.000 0.876 505 S HN 0.314 nan 8.310 nan 0.000 0.448 506 K N 1.458 121.875 120.400 0.028 0.000 2.026 506 K HA 0.064 4.384 4.320 -0.000 0.000 0.208 506 K C 2.450 179.084 176.600 0.057 0.000 1.048 506 K CA 1.070 57.404 56.287 0.079 0.000 0.929 506 K CB -0.864 31.744 32.500 0.181 0.000 0.713 506 K HN 0.243 nan 8.250 nan 0.000 0.439 507 S N 1.345 117.080 115.700 0.058 0.000 2.370 507 S HA -0.116 4.354 4.470 -0.000 0.000 0.226 507 S C 1.913 176.531 174.600 0.031 0.000 1.033 507 S CA 1.312 59.555 58.200 0.072 0.000 1.011 507 S CB -0.073 63.215 63.200 0.147 0.000 0.852 507 S HN 0.308 nan 8.310 nan 0.000 0.457 508 K N 0.858 121.171 120.400 -0.145 0.000 2.057 508 K HA -0.147 4.173 4.320 -0.000 0.000 0.207 508 K C 2.308 178.848 176.600 -0.100 0.000 1.049 508 K CA 1.344 57.472 56.287 -0.265 0.000 0.931 508 K CB -0.168 32.010 32.500 -0.536 0.000 0.714 508 K HN 0.432 nan 8.250 nan 0.000 0.440 509 E N 0.560 120.717 120.200 -0.071 0.000 2.085 509 E HA -0.213 4.137 4.350 -0.000 0.000 0.194 509 E C 1.881 178.477 176.600 -0.006 0.000 0.994 509 E CA 1.179 57.561 56.400 -0.030 0.000 0.801 509 E CB -0.039 29.654 29.700 -0.012 0.000 0.743 509 E HN 0.328 nan 8.360 nan 0.000 0.453 510 A N 0.361 123.191 122.820 0.016 0.000 1.930 510 A HA -0.102 4.218 4.320 -0.000 0.000 0.217 510 A C 2.376 179.955 177.584 -0.009 0.000 1.175 510 A CA 1.200 53.247 52.037 0.016 0.000 0.627 510 A CB -0.495 18.542 19.000 0.061 0.000 0.815 510 A HN 0.230 nan 8.150 nan 0.000 0.443 511 V N -0.497 119.435 119.914 0.030 0.000 2.295 511 V HA -0.210 3.910 4.120 -0.000 0.000 0.246 511 V C 2.842 178.946 176.094 0.018 0.000 1.049 511 V CA 2.325 64.653 62.300 0.048 0.000 1.024 511 V CB -0.641 31.292 31.823 0.183 0.000 0.648 511 V HN 0.672 nan 8.190 nan 0.000 0.447 512 S N -0.345 115.365 115.700 0.017 0.000 2.356 512 S HA -0.200 4.270 4.470 -0.000 0.000 0.223 512 S C 1.979 176.567 174.600 -0.021 0.000 1.032 512 S CA 2.006 60.208 58.200 0.003 0.000 1.005 512 S CB -0.372 62.825 63.200 -0.005 0.000 0.867 512 S HN 0.422 nan 8.310 nan 0.000 0.449 513 L N 1.437 122.641 121.223 -0.032 0.000 2.012 513 L HA -0.016 4.324 4.340 -0.000 0.000 0.210 513 L C 2.196 179.020 176.870 -0.078 0.000 1.073 513 L CA 1.852 56.663 54.840 -0.048 0.000 0.748 513 L CB -0.580 41.452 42.059 -0.046 0.000 0.891 513 L HN 0.402 nan 8.230 nan 0.000 0.431 514 L N -0.762 120.395 121.223 -0.110 0.000 2.072 514 L HA -0.153 4.187 4.340 -0.000 0.000 0.205 514 L C 2.398 179.205 176.870 -0.106 0.000 1.079 514 L CA 0.970 55.714 54.840 -0.161 0.000 0.752 514 L CB -0.782 41.122 42.059 -0.257 0.000 0.906 514 L HN 0.340 nan 8.230 nan 0.000 0.436 515 N N 0.268 118.926 118.700 -0.069 0.000 2.069 515 N HA -0.204 4.536 4.740 -0.000 0.000 0.191 515 N C 1.456 176.943 175.510 -0.039 0.000 1.031 515 N CA 1.606 54.630 53.050 -0.043 0.000 0.852 515 N CB -0.352 38.125 38.487 -0.015 0.000 1.018 515 N HN 0.279 nan 8.380 nan 0.000 0.423 516 D N 0.569 120.947 120.400 -0.035 0.000 2.117 516 D HA -0.066 4.574 4.640 -0.000 0.000 0.197 516 D C 1.817 178.095 176.300 -0.037 0.000 0.987 516 D CA 1.250 55.232 54.000 -0.030 0.000 0.829 516 D CB -0.383 40.402 40.800 -0.025 0.000 0.961 516 D HN 0.262 nan 8.370 nan 0.000 0.460 517 A N 0.488 123.277 122.820 -0.051 0.000 1.898 517 A HA -0.114 4.206 4.320 -0.000 0.000 0.216 517 A C 2.368 179.921 177.584 -0.052 0.000 1.181 517 A CA 0.856 52.861 52.037 -0.054 0.000 0.620 517 A CB -0.705 18.251 19.000 -0.072 0.000 0.819 517 A HN 0.189 nan 8.150 nan 0.000 0.442 518 I N 0.152 120.686 120.570 -0.060 0.000 2.127 518 I HA -0.281 3.889 4.170 -0.000 0.000 0.241 518 I C 1.879 177.975 176.117 -0.035 0.000 1.075 518 I CA 1.688 62.958 61.300 -0.050 0.000 1.334 518 I CB -0.538 37.430 38.000 -0.054 0.000 1.040 518 I HN 0.236 nan 8.210 nan 0.000 0.405 519 D N 1.007 121.389 120.400 -0.031 0.000 2.144 519 D HA -0.151 4.489 4.640 -0.000 0.000 0.199 519 D C 2.236 178.524 176.300 -0.020 0.000 0.984 519 D CA 1.552 55.539 54.000 -0.022 0.000 0.834 519 D CB -0.217 40.572 40.800 -0.018 0.000 0.955 519 D HN 0.389 nan 8.370 nan 0.000 0.465 520 A N 0.791 123.597 122.820 -0.022 0.000 1.930 520 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 520 A C 2.118 179.691 177.584 -0.019 0.000 1.175 520 A CA 1.142 53.168 52.037 -0.019 0.000 0.627 520 A CB -0.308 18.680 19.000 -0.021 0.000 0.815 520 A HN 0.060 nan 8.150 nan 0.000 0.443 521 Q N -0.276 119.511 119.800 -0.022 0.000 2.084 521 Q HA -0.097 4.243 4.340 -0.000 0.000 0.202 521 Q C 2.333 178.323 176.000 -0.016 0.000 0.978 521 Q CA 1.573 57.364 55.803 -0.020 0.000 0.844 521 Q CB -0.811 27.912 28.738 -0.024 0.000 0.898 521 Q HN 0.471 nan 8.270 nan 0.000 0.426 522 V N 0.256 120.160 119.914 -0.017 0.000 2.407 522 V HA -0.089 4.031 4.120 -0.000 0.000 0.248 522 V C 1.060 177.147 176.094 -0.011 0.000 1.055 522 V CA 1.389 63.681 62.300 -0.014 0.000 1.049 522 V CB -0.370 31.445 31.823 -0.015 0.000 0.662 522 V HN 0.418 nan 8.190 nan 0.000 0.455 523 A N 0.000 122.813 122.820 -0.012 0.000 2.254 523 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 523 A CA 0.000 52.031 52.037 -0.010 0.000 0.836 523 A CB 0.000 19.000 19.000 -0.000 0.000 0.831 523 A HN 0.000 nan 8.150 nan 0.000 0.486