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 2zd1_1_A DATA FIRST_RESID -1 DATA SEQUENCE MVPISPIETV PVKLKPGMDG PKVKQWPLTE EKIKALVEIC TEMEKEGKIS DATA SEQUENCE KIGPENPYNT PVFAIKKKDS TKWRKLVDFR ELNKRTQDFW EVQLGIPHPA DATA SEQUENCE GLKKKKSVTV LDVGDAYFSV PLDEDFRKYT AFTIPSINNE TPGIRYQYNV DATA SEQUENCE LPQGWKGSPA IFQSSMTKIL EPFAAQNPDI VIYQYMDDLY VGSDLEIGQH DATA SEQUENCE RTKIEELRQH LLRWGLTTPD KKHQKEPPFL WMGYELHPDK WTVQPIVLPE DATA SEQUENCE KDSWTVNDIQ KLVGKLNWAS QIYPGIKVRQ LSKLLRGTKA LTEVIPLTEE DATA SEQUENCE AELELAENRE ILKEPVHGVY YDPSKDLIAE IQKQGQGQWT YQIYQEPFKN DATA SEQUENCE LKTGKYARMR GAHTNDVKQL TEAVQKITTE SIVIWGKTPK FKLPIQKETW DATA SEQUENCE ETWWTEYWQA TWIPEWEFVN TPPLVKLWYQ LEKEPIVGAE TFYVDGAANR DATA SEQUENCE ETKLGKAGYV TNKGRQKVVP LTNTTNQKTE LQAIYLALQD SGLEVNIVTD DATA SEQUENCE SQYALGIIQA QPDKSESELV NQIIEQLIKK EKVYLAWVPA HKGIGGNEQV DATA SEQUENCE DKLV 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 -1 M HA 0.000 nan 4.480 nan 0.000 0.227 -1 M C 0.000 176.295 176.300 -0.008 0.000 1.140 -1 M CA 0.000 55.298 55.300 -0.003 0.000 0.988 -1 M CB 0.000 32.599 32.600 -0.002 0.000 1.302 0 V N 7.097 127.005 119.914 -0.011 0.000 2.364 0 V HA 0.559 4.684 4.120 0.008 0.000 0.272 0 V C -1.906 174.171 176.094 -0.028 0.000 1.036 0 V CA -1.211 61.078 62.300 -0.020 0.000 0.880 0 V CB 0.964 32.775 31.823 -0.020 0.000 0.991 0 V HN 0.784 nan 8.190 nan 0.000 0.460 1 P HA 0.245 nan 4.420 nan 0.000 0.265 1 P C -0.478 176.778 177.300 -0.073 0.000 1.187 1 P CA 0.156 63.229 63.100 -0.045 0.000 0.766 1 P CB 0.362 32.034 31.700 -0.047 0.000 0.820 2 I N -2.315 118.210 120.570 -0.075 0.000 2.785 2 I HA 0.498 4.672 4.170 0.008 0.000 0.302 2 I C -0.548 175.482 176.117 -0.145 0.000 1.069 2 I CA -1.015 60.212 61.300 -0.121 0.000 1.045 2 I CB 2.359 40.323 38.000 -0.060 0.000 1.236 2 I HN 0.026 nan 8.210 nan 0.000 0.429 3 S N 5.411 120.932 115.700 -0.298 0.000 2.531 3 S HA 0.313 4.787 4.470 0.008 0.000 0.279 3 S C -2.098 172.482 174.600 -0.033 0.000 1.305 3 S CA -0.706 57.330 58.200 -0.274 0.000 1.058 3 S CB 0.083 62.896 63.200 -0.644 0.000 0.899 3 S HN 0.562 nan 8.310 nan 0.000 0.493 4 P HA 0.295 nan 4.420 nan 0.000 0.274 4 P C -0.767 176.677 177.300 0.240 0.000 1.237 4 P CA -0.469 62.711 63.100 0.133 0.000 0.793 4 P CB 0.641 32.390 31.700 0.082 0.000 0.977 5 I N 2.276 122.969 120.570 0.206 0.000 2.312 5 I HA 0.084 4.258 4.170 0.008 0.000 0.291 5 I C 1.222 177.401 176.117 0.104 0.000 1.031 5 I CA -0.774 60.625 61.300 0.164 0.000 1.293 5 I CB 0.647 38.704 38.000 0.094 0.000 1.403 5 I HN 0.347 nan 8.210 nan 0.000 0.484 6 E N 4.967 125.225 120.200 0.098 0.000 2.452 6 E HA 0.020 4.375 4.350 0.008 0.000 0.261 6 E C 0.072 176.705 176.600 0.055 0.000 0.987 6 E CA -0.332 56.112 56.400 0.073 0.000 0.926 6 E CB 0.034 29.776 29.700 0.070 0.000 0.934 6 E HN 0.614 nan 8.360 nan 0.000 0.452 7 T N -1.016 113.572 114.554 0.056 0.000 2.913 7 T HA 0.372 4.726 4.350 0.008 0.000 0.287 7 T C 0.240 174.975 174.700 0.060 0.000 1.008 7 T CA -0.951 61.182 62.100 0.055 0.000 1.067 7 T CB 1.123 70.027 68.868 0.060 0.000 0.996 7 T HN 0.269 nan 8.240 nan 0.000 0.513 8 V N 5.399 125.354 119.914 0.067 0.000 2.432 8 V HA 0.369 4.493 4.120 0.008 0.000 0.275 8 V C -1.772 174.381 176.094 0.099 0.000 1.043 8 V CA -1.819 60.532 62.300 0.085 0.000 0.925 8 V CB 0.890 32.776 31.823 0.105 0.000 0.985 8 V HN 0.864 nan 8.190 nan 0.000 0.466 9 P HA 0.238 nan 4.420 nan 0.000 0.276 9 P C -0.791 176.562 177.300 0.088 0.000 1.253 9 P CA 0.072 63.225 63.100 0.088 0.000 0.766 9 P CB 1.198 32.941 31.700 0.071 0.000 0.845 10 V N 4.714 124.677 119.914 0.081 0.000 2.667 10 V HA 0.513 4.638 4.120 0.008 0.000 0.308 10 V C 0.453 176.599 176.094 0.085 0.000 1.048 10 V CA -0.573 61.730 62.300 0.004 0.000 0.928 10 V CB 2.109 33.797 31.823 -0.226 0.000 1.004 10 V HN 0.476 nan 8.190 nan 0.000 0.444 11 K N 2.498 122.932 120.400 0.057 0.000 2.482 11 K HA 0.660 4.985 4.320 0.008 0.000 0.257 11 K C -1.352 175.361 176.600 0.189 0.000 0.969 11 K CA -0.883 55.515 56.287 0.186 0.000 0.842 11 K CB 2.761 35.314 32.500 0.088 0.000 1.359 11 K HN 0.400 nan 8.250 nan 0.000 0.441 12 L N 1.653 122.987 121.223 0.184 0.000 2.456 12 L HA 0.306 4.651 4.340 0.008 0.000 0.257 12 L C 0.464 177.351 176.870 0.029 0.000 1.162 12 L CA -0.565 54.325 54.840 0.083 0.000 0.808 12 L CB 0.451 42.445 42.059 -0.109 0.000 1.136 12 L HN 0.390 nan 8.230 nan 0.000 0.466 13 K N 1.896 122.304 120.400 0.013 0.000 2.414 13 K HA 0.111 4.435 4.320 0.008 0.000 0.272 13 K C -2.186 174.416 176.600 0.004 0.000 0.993 13 K CA -1.288 54.999 56.287 -0.001 0.000 0.964 13 K CB -0.037 32.465 32.500 0.003 0.000 0.925 13 K HN 0.336 nan 8.250 nan 0.000 0.487 14 P HA -0.092 nan 4.420 nan 0.000 0.266 14 P C 0.548 177.857 177.300 0.015 0.000 1.195 14 P CA 0.583 63.691 63.100 0.012 0.000 0.768 14 P CB 0.684 32.390 31.700 0.010 0.000 0.838 15 G N 1.774 110.587 108.800 0.021 0.000 2.205 15 G HA2 -0.248 3.716 3.960 0.008 0.000 0.261 15 G HA3 -0.248 3.716 3.960 0.008 0.000 0.261 15 G C 0.155 175.069 174.900 0.024 0.000 0.980 15 G CA 0.108 45.222 45.100 0.024 0.000 0.632 15 G HN 0.501 nan 8.290 nan 0.000 0.533 16 M N 0.321 119.930 119.600 0.015 0.000 2.537 16 M HA 0.569 5.054 4.480 0.008 0.000 0.324 16 M C -0.264 176.028 176.300 -0.013 0.000 1.187 16 M CA -0.738 54.566 55.300 0.007 0.000 0.993 16 M CB 1.606 34.206 32.600 0.000 0.000 1.666 16 M HN 0.148 nan 8.290 nan 0.000 0.461 17 D N 0.301 120.701 120.400 0.000 0.000 2.506 17 D HA 0.576 5.220 4.640 0.008 0.000 0.254 17 D C -0.172 176.068 176.300 -0.101 0.000 1.089 17 D CA -0.179 53.827 54.000 0.011 0.000 1.050 17 D CB 1.588 42.479 40.800 0.153 0.000 1.221 17 D HN 0.673 nan 8.370 nan 0.000 0.589 18 G N -0.059 108.634 108.800 -0.178 0.000 2.684 18 G HA2 0.353 4.317 3.960 0.008 0.000 0.255 18 G HA3 0.353 4.317 3.960 0.008 0.000 0.255 18 G C -2.220 172.737 174.900 0.094 0.000 1.219 18 G CA -0.715 44.158 45.100 -0.378 0.000 0.901 18 G HN 0.432 nan 8.290 nan 0.000 0.548 19 P HA 0.301 nan 4.420 nan 0.000 0.278 19 P C -1.046 176.426 177.300 0.287 0.000 1.238 19 P CA -0.280 62.940 63.100 0.200 0.000 0.794 19 P CB 1.357 33.172 31.700 0.192 0.000 0.955 20 K N 1.560 122.082 120.400 0.202 0.000 3.029 20 K HA 0.329 4.653 4.320 0.008 0.000 0.169 20 K C -0.939 175.726 176.600 0.109 0.000 1.090 20 K CA -0.440 55.939 56.287 0.154 0.000 0.883 20 K CB 1.070 33.635 32.500 0.110 0.000 1.080 20 K HN 0.196 nan 8.250 nan 0.000 0.613 21 V N 2.466 122.454 119.914 0.125 0.000 2.439 21 V HA 0.195 4.319 4.120 0.008 0.000 0.282 21 V C 0.184 176.323 176.094 0.075 0.000 1.039 21 V CA -0.960 61.406 62.300 0.110 0.000 0.913 21 V CB 1.095 33.014 31.823 0.160 0.000 0.983 21 V HN 0.500 nan 8.190 nan 0.000 0.460 22 K N 3.311 123.717 120.400 0.011 0.000 2.412 22 K HA 0.273 4.597 4.320 0.008 0.000 0.281 22 K C -0.066 176.501 176.600 -0.055 0.000 1.027 22 K CA -0.386 55.867 56.287 -0.057 0.000 0.989 22 K CB 0.750 33.159 32.500 -0.152 0.000 0.935 22 K HN 0.559 nan 8.250 nan 0.000 0.475 23 Q N 3.207 122.991 119.800 -0.027 0.000 2.352 23 Q HA 0.092 4.437 4.340 0.008 0.000 0.260 23 Q C -1.480 174.499 176.000 -0.035 0.000 0.976 23 Q CA 0.171 55.981 55.803 0.012 0.000 0.881 23 Q CB 0.475 29.216 28.738 0.005 0.000 1.235 23 Q HN 0.601 nan 8.270 nan 0.000 0.419 24 W N 5.050 126.239 121.300 -0.186 0.000 2.237 24 W HA 0.372 5.036 4.660 0.008 0.000 0.335 24 W C -1.744 174.710 176.519 -0.108 0.000 1.230 24 W CA -1.848 55.422 57.345 -0.125 0.000 1.253 24 W CB 0.291 29.670 29.460 -0.134 0.000 1.129 24 W HN 0.579 nan 8.180 nan 0.000 0.590 25 P HA 0.187 nan 4.420 nan 0.000 0.271 25 P C -0.859 176.501 177.300 0.100 0.000 1.220 25 P CA 0.337 63.487 63.100 0.083 0.000 0.768 25 P CB 0.980 32.719 31.700 0.065 0.000 0.848 26 L N 1.951 123.196 121.223 0.036 0.000 2.279 26 L HA 0.522 4.867 4.340 0.008 0.000 0.262 26 L C 1.133 177.999 176.870 -0.007 0.000 1.019 26 L CA -0.920 53.926 54.840 0.010 0.000 0.823 26 L CB 1.935 43.968 42.059 -0.044 0.000 1.358 26 L HN 0.346 nan 8.230 nan 0.000 0.432 27 T N -3.728 110.812 114.554 -0.024 0.000 2.904 27 T HA 0.115 4.469 4.350 0.008 0.000 0.290 27 T C 0.807 175.469 174.700 -0.064 0.000 1.018 27 T CA -0.520 61.564 62.100 -0.026 0.000 1.075 27 T CB 1.550 70.413 68.868 -0.009 0.000 0.986 27 T HN 0.765 nan 8.240 nan 0.000 0.523 28 E N 0.571 120.746 120.200 -0.043 0.000 2.130 28 E HA -0.289 4.066 4.350 0.008 0.000 0.196 28 E C 1.895 178.443 176.600 -0.087 0.000 0.998 28 E CA 1.816 58.185 56.400 -0.052 0.000 0.806 28 E CB -0.043 29.641 29.700 -0.027 0.000 0.738 28 E HN 0.928 nan 8.360 nan 0.000 0.459 29 E N 0.529 120.675 120.200 -0.090 0.000 2.051 29 E HA -0.238 4.116 4.350 0.008 0.000 0.192 29 E C 1.882 178.268 176.600 -0.358 0.000 0.991 29 E CA 1.391 57.712 56.400 -0.132 0.000 0.799 29 E CB 0.057 29.741 29.700 -0.027 0.000 0.748 29 E HN 0.146 nan 8.360 nan 0.000 0.449 30 K N 0.157 120.289 120.400 -0.448 0.000 2.097 30 K HA -0.086 4.239 4.320 0.008 0.000 0.205 30 K C 2.226 178.578 176.600 -0.413 0.000 1.050 30 K CA 1.306 57.188 56.287 -0.676 0.000 0.938 30 K CB -0.095 32.111 32.500 -0.489 0.000 0.718 30 K HN 0.259 nan 8.250 nan 0.000 0.442 31 I N 1.466 121.893 120.570 -0.238 0.000 2.179 31 I HA -0.298 3.876 4.170 0.008 0.000 0.242 31 I C 2.085 178.126 176.117 -0.127 0.000 1.088 31 I CA 1.408 62.623 61.300 -0.142 0.000 1.357 31 I CB -0.208 37.740 38.000 -0.087 0.000 1.051 31 I HN 0.106 nan 8.210 nan 0.000 0.409 32 K N 0.955 121.276 120.400 -0.133 0.000 2.103 32 K HA -0.162 4.162 4.320 0.008 0.000 0.207 32 K C 2.262 178.797 176.600 -0.108 0.000 1.048 32 K CA 1.524 57.756 56.287 -0.092 0.000 0.930 32 K CB -0.302 32.156 32.500 -0.071 0.000 0.716 32 K HN 0.332 nan 8.250 nan 0.000 0.444 33 A N 1.650 124.341 122.820 -0.214 0.000 1.858 33 A HA -0.129 4.195 4.320 0.008 0.000 0.216 33 A C 2.162 179.675 177.584 -0.120 0.000 1.190 33 A CA 1.232 53.142 52.037 -0.212 0.000 0.617 33 A CB -0.693 17.954 19.000 -0.589 0.000 0.827 33 A HN 0.148 nan 8.150 nan 0.000 0.443 34 L N -0.419 120.717 121.223 -0.146 0.000 2.083 34 L HA -0.165 4.180 4.340 0.008 0.000 0.209 34 L C 2.534 179.395 176.870 -0.016 0.000 1.083 34 L CA 1.023 55.824 54.840 -0.066 0.000 0.752 34 L CB -0.610 41.412 42.059 -0.062 0.000 0.899 34 L HN 0.252 nan 8.230 nan 0.000 0.433 35 V N -0.041 119.867 119.914 -0.011 0.000 2.295 35 V HA -0.312 3.813 4.120 0.008 0.000 0.246 35 V C 2.490 178.596 176.094 0.019 0.000 1.049 35 V CA 2.077 64.395 62.300 0.030 0.000 1.024 35 V CB -0.445 31.387 31.823 0.016 0.000 0.648 35 V HN 0.508 nan 8.190 nan 0.000 0.447 36 E N 0.008 120.207 120.200 -0.001 0.000 2.031 36 E HA -0.219 4.135 4.350 0.008 0.000 0.193 36 E C 2.256 178.853 176.600 -0.004 0.000 0.994 36 E CA 1.729 58.131 56.400 0.004 0.000 0.800 36 E CB -0.171 29.534 29.700 0.009 0.000 0.752 36 E HN 0.577 nan 8.360 nan 0.000 0.447 37 I N 0.623 121.188 120.570 -0.009 0.000 2.127 37 I HA -0.376 3.799 4.170 0.008 0.000 0.241 37 I C 2.573 178.652 176.117 -0.064 0.000 1.075 37 I CA 1.081 62.369 61.300 -0.021 0.000 1.334 37 I CB -0.286 37.709 38.000 -0.009 0.000 1.040 37 I HN 0.371 nan 8.210 nan 0.000 0.405 38 C N 0.116 119.366 119.300 -0.083 0.000 2.432 38 C HA -0.121 4.343 4.460 0.008 0.000 0.280 38 C C 2.941 177.829 174.990 -0.169 0.000 1.353 38 C CA 1.192 60.084 59.018 -0.211 0.000 1.766 38 C CB -1.201 26.365 27.740 -0.290 0.000 1.924 38 C HN 0.530 nan 8.230 nan 0.000 0.509 39 T N 1.481 116.014 114.554 -0.035 0.000 2.746 39 T HA -0.188 4.167 4.350 0.008 0.000 0.267 39 T C 1.702 176.391 174.700 -0.018 0.000 1.039 39 T CA 2.023 64.132 62.100 0.015 0.000 1.142 39 T CB -0.284 68.601 68.868 0.029 0.000 0.866 39 T HN 0.865 nan 8.240 nan 0.000 0.444 40 E N 1.042 121.220 120.200 -0.038 0.000 2.076 40 E HA -0.023 4.332 4.350 0.008 0.000 0.190 40 E C 2.199 178.753 176.600 -0.076 0.000 0.979 40 E CA 0.791 57.165 56.400 -0.044 0.000 0.807 40 E CB -0.487 29.190 29.700 -0.039 0.000 0.761 40 E HN 0.366 nan 8.360 nan 0.000 0.454 41 M N 0.955 120.487 119.600 -0.113 0.000 2.082 41 M HA -0.235 4.250 4.480 0.008 0.000 0.258 41 M C 2.569 178.792 176.300 -0.128 0.000 1.069 41 M CA 2.230 57.439 55.300 -0.152 0.000 1.102 41 M CB -0.370 32.114 32.600 -0.194 0.000 1.336 41 M HN 0.282 nan 8.290 nan 0.000 0.404 42 E N 0.750 120.878 120.200 -0.120 0.000 2.077 42 E HA -0.225 4.129 4.350 0.008 0.000 0.193 42 E C 1.771 178.365 176.600 -0.010 0.000 0.989 42 E CA 1.382 57.761 56.400 -0.036 0.000 0.800 42 E CB 0.063 29.809 29.700 0.077 0.000 0.746 42 E HN 0.457 nan 8.360 nan 0.000 0.452 43 K N 0.141 120.532 120.400 -0.016 0.000 2.211 43 K HA -0.116 4.209 4.320 0.008 0.000 0.203 43 K C 1.715 178.304 176.600 -0.019 0.000 1.050 43 K CA 1.240 57.521 56.287 -0.009 0.000 0.945 43 K CB 0.028 32.523 32.500 -0.009 0.000 0.732 43 K HN 0.238 nan 8.250 nan 0.000 0.451 44 E N -0.496 119.679 120.200 -0.043 0.000 2.489 44 E HA 0.011 4.366 4.350 0.008 0.000 0.193 44 E C 0.899 177.478 176.600 -0.035 0.000 1.057 44 E CA 0.307 56.676 56.400 -0.051 0.000 0.866 44 E CB 0.419 30.055 29.700 -0.106 0.000 0.916 44 E HN 0.485 nan 8.360 nan 0.000 0.500 45 G N 1.930 110.718 108.800 -0.019 0.000 2.199 45 G HA2 -0.382 3.583 3.960 0.008 0.000 0.254 45 G HA3 -0.382 3.583 3.960 0.008 0.000 0.254 45 G C 1.009 175.918 174.900 0.015 0.000 0.982 45 G CA 0.694 45.798 45.100 0.007 0.000 0.632 45 G HN 0.264 nan 8.290 nan 0.000 0.529 46 K N 0.033 120.421 120.400 -0.021 0.000 2.057 46 K HA 0.141 4.465 4.320 0.008 0.000 0.207 46 K C 1.542 178.144 176.600 0.004 0.000 1.049 46 K CA 1.588 57.884 56.287 0.014 0.000 0.931 46 K CB -0.065 32.393 32.500 -0.070 0.000 0.714 46 K HN 0.832 nan 8.250 nan 0.000 0.440 47 I N -3.581 116.939 120.570 -0.084 0.000 3.042 47 I HA 0.417 4.592 4.170 0.008 0.000 0.310 47 I C -1.085 175.048 176.117 0.028 0.000 1.117 47 I CA -1.016 60.219 61.300 -0.108 0.000 1.003 47 I CB 2.620 40.429 38.000 -0.318 0.000 1.228 47 I HN -0.308 nan 8.210 nan 0.000 0.443 48 S N 1.479 117.244 115.700 0.109 0.000 2.540 48 S HA 0.436 4.911 4.470 0.008 0.000 0.275 48 S C -0.898 173.758 174.600 0.092 0.000 1.123 48 S CA -0.952 57.322 58.200 0.123 0.000 0.907 48 S CB 1.947 65.171 63.200 0.039 0.000 1.081 48 S HN 0.508 nan 8.310 nan 0.000 0.476 49 K N 2.248 122.606 120.400 -0.069 0.000 2.382 49 K HA 0.359 4.683 4.320 0.008 0.000 0.275 49 K C -0.046 176.423 176.600 -0.218 0.000 1.009 49 K CA 0.077 56.143 56.287 -0.369 0.000 0.970 49 K CB 0.207 32.468 32.500 -0.398 0.000 0.934 49 K HN 0.623 nan 8.250 nan 0.000 0.479 50 I N -1.718 118.706 120.570 -0.244 0.000 2.846 50 I HA 0.518 4.693 4.170 0.008 0.000 0.307 50 I C 0.452 176.479 176.117 -0.150 0.000 1.053 50 I CA -1.115 60.092 61.300 -0.155 0.000 1.050 50 I CB 1.747 39.674 38.000 -0.122 0.000 1.239 50 I HN 0.543 nan 8.210 nan 0.000 0.439 51 G N 2.591 111.326 108.800 -0.109 0.000 2.583 51 G HA2 0.360 4.324 3.960 0.008 0.000 0.275 51 G HA3 0.360 4.324 3.960 0.008 0.000 0.275 51 G C -2.023 172.820 174.900 -0.096 0.000 1.342 51 G CA -0.916 44.125 45.100 -0.097 0.000 1.030 51 G HN 0.608 nan 8.290 nan 0.000 0.520 52 P HA 0.096 nan 4.420 nan 0.000 0.231 52 P C 1.167 178.421 177.300 -0.076 0.000 1.168 52 P CA 0.594 63.646 63.100 -0.079 0.000 0.779 52 P CB 0.338 31.996 31.700 -0.070 0.000 0.844 53 E N -0.084 120.073 120.200 -0.071 0.000 2.049 53 E HA -0.169 4.186 4.350 0.008 0.000 0.198 53 E C 1.117 177.664 176.600 -0.087 0.000 1.007 53 E CA 0.773 57.131 56.400 -0.070 0.000 0.809 53 E CB -1.287 28.378 29.700 -0.058 0.000 0.749 53 E HN 0.176 nan 8.360 nan 0.000 0.450 54 N N 1.703 120.356 118.700 -0.079 0.000 2.301 54 N HA -0.072 4.673 4.740 0.008 0.000 0.267 54 N C -1.739 173.688 175.510 -0.138 0.000 1.304 54 N CA -0.284 52.718 53.050 -0.081 0.000 0.851 54 N CB 0.788 39.260 38.487 -0.026 0.000 1.070 54 N HN 0.021 nan 8.380 nan 0.000 0.483 55 P HA 0.073 nan 4.420 nan 0.000 0.261 55 P C -0.640 176.444 177.300 -0.360 0.000 1.268 55 P CA 0.177 63.069 63.100 -0.348 0.000 0.833 55 P CB 0.166 31.605 31.700 -0.434 0.000 1.231 56 Y N 0.955 121.275 120.300 0.034 0.000 2.354 56 Y HA 0.537 5.092 4.550 0.008 0.000 0.322 56 Y C 0.904 176.848 175.900 0.073 0.000 1.253 56 Y CA -0.366 57.778 58.100 0.072 0.000 1.272 56 Y CB 0.592 39.120 38.460 0.114 0.000 1.255 56 Y HN -0.118 nan 8.280 nan 0.000 0.500 57 N N -0.898 117.966 118.700 0.275 0.000 2.504 57 N HA 0.511 5.255 4.740 0.008 0.000 0.268 57 N C -1.905 173.729 175.510 0.207 0.000 1.184 57 N CA -0.472 52.701 53.050 0.205 0.000 0.875 57 N CB 1.831 40.393 38.487 0.125 0.000 1.630 57 N HN 0.548 nan 8.380 nan 0.000 0.486 58 T N 2.576 117.250 114.554 0.199 0.000 2.921 58 T HA 0.519 4.874 4.350 0.008 0.000 0.297 58 T C -2.878 171.872 174.700 0.083 0.000 1.013 58 T CA -0.904 61.275 62.100 0.131 0.000 0.990 58 T CB 2.106 71.010 68.868 0.061 0.000 1.023 58 T HN 0.352 nan 8.240 nan 0.000 0.447 59 P HA 0.218 nan 4.420 nan 0.000 0.271 59 P C -0.620 176.587 177.300 -0.155 0.000 1.220 59 P CA -0.243 62.864 63.100 0.012 0.000 0.768 59 P CB 0.985 32.818 31.700 0.223 0.000 0.848 60 V N 5.250 124.988 119.914 -0.294 0.000 2.581 60 V HA 0.585 4.709 4.120 0.008 0.000 0.303 60 V C -0.864 174.930 176.094 -0.500 0.000 1.041 60 V CA -0.541 61.589 62.300 -0.283 0.000 0.907 60 V CB 0.662 32.366 31.823 -0.198 0.000 0.994 60 V HN 0.332 nan 8.190 nan 0.000 0.442 61 F N 3.563 123.455 119.950 -0.098 0.000 2.631 61 F HA 0.882 5.414 4.527 0.008 0.000 0.328 61 F C 0.278 176.052 175.800 -0.045 0.000 1.067 61 F CA -0.464 57.489 58.000 -0.080 0.000 0.969 61 F CB 2.139 41.068 39.000 -0.118 0.000 1.332 61 F HN 0.620 nan 8.300 nan 0.000 0.490 62 A N 1.885 124.828 122.820 0.206 0.000 2.353 62 A HA 0.818 5.143 4.320 0.008 0.000 0.299 62 A C -1.251 176.560 177.584 0.379 0.000 1.089 62 A CA -0.406 51.746 52.037 0.193 0.000 0.736 62 A CB 0.503 19.460 19.000 -0.072 0.000 1.195 62 A HN 0.650 nan 8.150 nan 0.000 0.447 63 I N 1.813 122.615 120.570 0.386 0.000 2.465 63 I HA 0.336 4.511 4.170 0.008 0.000 0.291 63 I C 0.039 176.252 176.117 0.160 0.000 1.014 63 I CA -1.032 60.431 61.300 0.271 0.000 1.093 63 I CB 2.165 40.224 38.000 0.099 0.000 1.267 63 I HN 0.639 nan 8.210 nan 0.000 0.431 64 K N 4.667 124.980 120.400 -0.145 0.000 2.355 64 K HA 0.076 4.400 4.320 0.008 0.000 0.270 64 K C -0.317 176.124 176.600 -0.265 0.000 1.003 64 K CA -0.103 55.849 56.287 -0.559 0.000 0.957 64 K CB 0.550 32.647 32.500 -0.671 0.000 0.939 64 K HN 0.342 nan 8.250 nan 0.000 0.482 65 K N 3.355 123.595 120.400 -0.266 0.000 2.257 65 K HA 0.160 4.485 4.320 0.008 0.000 0.270 65 K C -0.891 175.629 176.600 -0.134 0.000 1.098 65 K CA -0.087 56.111 56.287 -0.148 0.000 0.943 65 K CB 0.212 32.648 32.500 -0.108 0.000 1.316 65 K HN 0.553 nan 8.250 nan 0.000 0.447 66 K N 3.266 123.601 120.400 -0.108 0.000 3.078 66 K HA -0.251 4.074 4.320 0.008 0.000 0.261 66 K C -1.049 175.490 176.600 -0.101 0.000 0.947 66 K CA 1.138 57.373 56.287 -0.087 0.000 0.702 66 K CB -1.653 30.809 32.500 -0.064 0.000 1.318 66 K HN 0.948 nan 8.250 nan 0.000 0.473 67 D N -0.986 119.331 120.400 -0.139 0.000 2.956 67 D HA -0.167 4.477 4.640 0.008 0.000 0.240 67 D C -0.403 175.815 176.300 -0.135 0.000 1.141 67 D CA 1.451 55.364 54.000 -0.146 0.000 0.820 67 D CB -0.838 39.902 40.800 -0.100 0.000 0.988 67 D HN 0.443 nan 8.370 nan 0.000 0.417 68 S N -0.991 114.603 115.700 -0.177 0.000 2.798 68 S HA 0.669 5.144 4.470 0.008 0.000 0.312 68 S C 1.227 175.723 174.600 -0.172 0.000 1.122 68 S CA 0.242 58.357 58.200 -0.142 0.000 0.949 68 S CB 1.945 65.071 63.200 -0.123 0.000 1.235 68 S HN 0.227 nan 8.310 nan 0.000 0.552 69 T N 0.222 114.707 114.554 -0.115 0.000 3.100 69 T HA 0.301 4.656 4.350 0.008 0.000 0.253 69 T C 0.193 174.840 174.700 -0.088 0.000 1.118 69 T CA 0.453 62.501 62.100 -0.086 0.000 1.058 69 T CB -0.402 68.448 68.868 -0.030 0.000 0.953 69 T HN 0.495 nan 8.240 nan 0.000 0.515 70 K N 0.121 120.449 120.400 -0.120 0.000 2.095 70 K HA 0.508 4.833 4.320 0.008 0.000 0.252 70 K C -1.221 175.275 176.600 -0.173 0.000 0.977 70 K CA -0.868 55.384 56.287 -0.060 0.000 0.900 70 K CB 1.141 33.630 32.500 -0.018 0.000 1.060 70 K HN 0.219 nan 8.250 nan 0.000 0.449 71 W N 0.198 121.498 121.300 -0.002 0.000 2.820 71 W HA 0.499 5.164 4.660 0.008 0.000 0.350 71 W C -0.258 176.260 176.519 -0.003 0.000 1.116 71 W CA -0.656 56.688 57.345 -0.000 0.000 1.146 71 W CB 1.694 31.156 29.460 0.003 0.000 1.433 71 W HN 0.233 nan 8.180 nan 0.000 0.561 72 R N 1.347 122.036 120.500 0.315 0.000 2.604 72 R HA 0.295 4.640 4.340 0.008 0.000 0.281 72 R C -0.872 175.523 176.300 0.159 0.000 1.020 72 R CA -1.161 55.041 56.100 0.169 0.000 0.899 72 R CB 2.413 32.771 30.300 0.096 0.000 1.205 72 R HN 0.469 nan 8.270 nan 0.000 0.450 73 K N 3.006 123.459 120.400 0.088 0.000 2.143 73 K HA 0.464 4.789 4.320 0.008 0.000 0.272 73 K C -0.891 175.735 176.600 0.044 0.000 1.001 73 K CA -0.608 55.707 56.287 0.046 0.000 0.915 73 K CB 1.489 33.974 32.500 -0.026 0.000 1.047 73 K HN 0.471 nan 8.250 nan 0.000 0.458 74 L N 3.244 124.499 121.223 0.053 0.000 2.406 74 L HA 0.343 4.687 4.340 0.008 0.000 0.270 74 L C -1.617 175.275 176.870 0.036 0.000 0.982 74 L CA -0.899 53.976 54.840 0.058 0.000 0.843 74 L CB 1.770 43.872 42.059 0.072 0.000 1.225 74 L HN 0.549 nan 8.230 nan 0.000 0.412 75 V N 3.477 123.348 119.914 -0.072 0.000 2.364 75 V HA 0.190 4.315 4.120 0.008 0.000 0.272 75 V C -0.196 175.721 176.094 -0.295 0.000 1.036 75 V CA -0.375 61.752 62.300 -0.289 0.000 0.880 75 V CB 1.345 32.861 31.823 -0.513 0.000 0.991 75 V HN 0.730 nan 8.190 nan 0.000 0.460 76 D N 4.087 124.394 120.400 -0.155 0.000 2.422 76 D HA 0.205 4.850 4.640 0.008 0.000 0.227 76 D C 0.301 176.541 176.300 -0.100 0.000 1.190 76 D CA -0.062 53.914 54.000 -0.040 0.000 0.905 76 D CB 0.208 41.081 40.800 0.122 0.000 1.034 76 D HN 0.434 nan 8.370 nan 0.000 0.507 77 F N 2.225 122.268 119.950 0.155 0.000 2.693 77 F HA 0.227 4.758 4.527 0.008 0.000 0.303 77 F C 2.100 178.009 175.800 0.182 0.000 1.143 77 F CA -0.432 57.682 58.000 0.191 0.000 1.389 77 F CB 0.144 39.289 39.000 0.241 0.000 1.060 77 F HN 0.274 nan 8.300 nan 0.000 0.535 78 R N 0.297 120.952 120.500 0.259 0.000 2.103 78 R HA -0.239 4.106 4.340 0.008 0.000 0.242 78 R C 2.007 178.427 176.300 0.200 0.000 1.142 78 R CA 1.844 58.060 56.100 0.195 0.000 0.960 78 R CB -0.299 30.078 30.300 0.128 0.000 0.858 78 R HN 0.229 nan 8.270 nan 0.000 0.439 79 E N 0.988 121.313 120.200 0.209 0.000 2.072 79 E HA -0.149 4.206 4.350 0.008 0.000 0.191 79 E C 1.768 178.499 176.600 0.218 0.000 0.985 79 E CA 0.771 57.284 56.400 0.189 0.000 0.801 79 E CB -0.202 29.606 29.700 0.179 0.000 0.750 79 E HN 0.135 nan 8.360 nan 0.000 0.452 80 L N 0.895 122.302 121.223 0.306 0.000 2.083 80 L HA -0.098 4.246 4.340 0.008 0.000 0.209 80 L C 1.458 178.553 176.870 0.374 0.000 1.083 80 L CA 1.736 56.783 54.840 0.345 0.000 0.752 80 L CB -0.756 41.598 42.059 0.492 0.000 0.899 80 L HN 0.092 nan 8.230 nan 0.000 0.433 81 N N 0.225 119.140 118.700 0.358 0.000 2.166 81 N HA -0.169 4.576 4.740 0.008 0.000 0.186 81 N C 1.685 177.293 175.510 0.163 0.000 1.019 81 N CA 1.332 54.531 53.050 0.248 0.000 0.856 81 N CB -0.203 38.394 38.487 0.183 0.000 0.993 81 N HN 0.470 nan 8.380 nan 0.000 0.426 82 K N 0.352 120.841 120.400 0.148 0.000 2.288 82 K HA 0.040 4.365 4.320 0.008 0.000 0.201 82 K C 1.526 178.182 176.600 0.093 0.000 1.048 82 K CA 0.731 57.079 56.287 0.102 0.000 0.956 82 K CB 0.125 32.680 32.500 0.092 0.000 0.746 82 K HN 0.115 nan 8.250 nan 0.000 0.461 83 R N -0.084 120.488 120.500 0.119 0.000 2.334 83 R HA 0.093 4.438 4.340 0.008 0.000 0.212 83 R C 0.091 176.460 176.300 0.115 0.000 0.897 83 R CA 0.140 56.291 56.100 0.085 0.000 1.056 83 R CB 0.746 31.074 30.300 0.046 0.000 1.046 83 R HN -0.057 nan 8.270 nan 0.000 0.513 84 T N 2.230 116.904 114.554 0.200 0.000 2.897 84 T HA 0.064 4.419 4.350 0.008 0.000 0.294 84 T C 0.075 174.819 174.700 0.073 0.000 1.004 84 T CA -0.510 61.748 62.100 0.263 0.000 1.106 84 T CB 1.259 70.399 68.868 0.453 0.000 0.949 84 T HN 0.234 nan 8.240 nan 0.000 0.520 85 Q N 2.286 122.059 119.800 -0.045 0.000 2.539 85 Q HA 0.088 4.433 4.340 0.008 0.000 0.268 85 Q C -0.771 175.016 176.000 -0.355 0.000 1.109 85 Q CA -0.272 55.395 55.803 -0.227 0.000 0.968 85 Q CB 0.389 28.914 28.738 -0.356 0.000 1.309 85 Q HN 0.397 nan 8.270 nan 0.000 0.497 86 D N 0.332 120.557 120.400 -0.292 0.000 2.313 86 D HA 0.355 5.000 4.640 0.008 0.000 0.247 86 D C -0.928 175.146 176.300 -0.377 0.000 1.094 86 D CA 0.011 53.895 54.000 -0.194 0.000 0.925 86 D CB 0.509 41.262 40.800 -0.078 0.000 1.188 86 D HN 0.350 nan 8.370 nan 0.000 0.430 87 F N -0.079 119.835 119.950 -0.060 0.000 2.598 87 F HA 0.296 4.827 4.527 0.008 0.000 0.327 87 F C 0.165 175.995 175.800 0.051 0.000 1.057 87 F CA -1.201 56.787 58.000 -0.020 0.000 0.957 87 F CB 1.177 40.118 39.000 -0.099 0.000 1.278 87 F HN 0.239 nan 8.300 nan 0.000 0.484 88 W N 3.370 124.752 121.300 0.138 0.000 2.419 88 W HA 0.192 4.857 4.660 0.008 0.000 0.312 88 W C -0.868 175.682 176.519 0.052 0.000 1.323 88 W CA -0.327 57.054 57.345 0.060 0.000 1.293 88 W CB 0.708 30.191 29.460 0.038 0.000 1.324 88 W HN 0.440 nan 8.180 nan 0.000 0.512 89 E N 5.274 125.164 120.200 -0.517 0.000 2.055 89 E HA 0.011 4.365 4.350 0.008 0.000 0.274 89 E C 0.535 176.794 176.600 -0.569 0.000 0.949 89 E CA -0.207 55.956 56.400 -0.397 0.000 0.775 89 E CB 2.025 31.558 29.700 -0.280 0.000 1.097 89 E HN 0.436 nan 8.360 nan 0.000 0.404 90 V N 3.727 123.448 119.914 -0.322 0.000 3.510 90 V HA -0.140 3.985 4.120 0.008 0.000 0.270 90 V C 1.920 177.961 176.094 -0.088 0.000 1.201 90 V CA 1.302 63.503 62.300 -0.165 0.000 1.166 90 V CB -0.120 31.738 31.823 0.059 0.000 0.825 90 V HN 0.586 nan 8.190 nan 0.000 0.484 91 Q N -0.299 119.437 119.800 -0.106 0.000 2.245 91 Q HA 0.050 4.394 4.340 0.008 0.000 0.201 91 Q C 0.740 176.717 176.000 -0.037 0.000 0.955 91 Q CA 0.268 56.052 55.803 -0.032 0.000 0.870 91 Q CB 0.070 28.790 28.738 -0.029 0.000 0.945 91 Q HN 0.612 nan 8.270 nan 0.000 0.461 92 L N 1.226 122.385 121.223 -0.107 0.000 2.559 92 L HA 0.004 4.349 4.340 0.008 0.000 0.282 92 L C 0.688 177.533 176.870 -0.042 0.000 1.232 92 L CA 0.759 55.542 54.840 -0.094 0.000 0.885 92 L CB -0.159 41.805 42.059 -0.158 0.000 1.131 92 L HN 0.436 nan 8.230 nan 0.000 0.498 93 G N 4.262 113.048 108.800 -0.023 0.000 2.587 93 G HA2 -0.230 3.734 3.960 0.008 0.000 0.245 93 G HA3 -0.230 3.734 3.960 0.008 0.000 0.245 93 G C -0.295 174.619 174.900 0.023 0.000 0.959 93 G CA 0.051 45.151 45.100 -0.001 0.000 1.268 93 G HN 0.804 nan 8.290 nan 0.000 0.448 94 I N 0.417 121.004 120.570 0.028 0.000 2.823 94 I HA 0.679 4.854 4.170 0.008 0.000 0.290 94 I C -1.394 174.765 176.117 0.070 0.000 1.091 94 I CA -2.368 58.974 61.300 0.070 0.000 1.365 94 I CB 0.507 38.501 38.000 -0.010 0.000 1.427 94 I HN 0.158 nan 8.210 nan 0.000 0.583 95 P HA 0.057 nan 4.420 nan 0.000 0.268 95 P C -0.930 176.359 177.300 -0.018 0.000 1.205 95 P CA 0.202 63.306 63.100 0.007 0.000 0.771 95 P CB 0.233 31.883 31.700 -0.083 0.000 0.858 96 H N 3.980 122.914 119.070 -0.226 0.000 2.489 96 H HA 0.171 4.731 4.556 0.008 0.000 0.322 96 H C -1.729 173.278 175.328 -0.535 0.000 1.091 96 H CA -2.097 53.728 56.048 -0.372 0.000 1.291 96 H CB 1.321 30.832 29.762 -0.418 0.000 1.436 96 H HN 0.225 nan 8.280 nan 0.000 0.480 97 P HA -0.166 nan 4.420 nan 0.000 0.217 97 P C 0.988 177.922 177.300 -0.611 0.000 1.151 97 P CA 2.049 64.604 63.100 -0.909 0.000 0.849 97 P CB 0.109 30.849 31.700 -1.600 0.000 0.787 98 A N -0.759 121.780 122.820 -0.469 0.000 2.172 98 A HA 0.034 4.359 4.320 0.008 0.000 0.216 98 A C 2.242 179.980 177.584 0.256 0.000 1.154 98 A CA 1.637 53.725 52.037 0.086 0.000 0.701 98 A CB -1.424 17.754 19.000 0.295 0.000 0.789 98 A HN 0.317 nan 8.150 nan 0.000 0.465 99 G N -0.884 107.858 108.800 -0.098 0.000 2.744 99 G HA2 0.314 4.279 3.960 0.008 0.000 0.211 99 G HA3 0.314 4.279 3.960 0.008 0.000 0.211 99 G C 0.660 175.587 174.900 0.044 0.000 1.146 99 G CA -0.269 44.727 45.100 -0.173 0.000 0.787 99 G HN 0.389 nan 8.290 nan 0.000 0.534 100 L N -0.033 121.179 121.223 -0.018 0.000 2.474 100 L HA 0.359 4.703 4.340 0.008 0.000 0.259 100 L C 0.176 177.009 176.870 -0.061 0.000 1.232 100 L CA -0.297 54.457 54.840 -0.144 0.000 0.821 100 L CB 0.507 42.326 42.059 -0.400 0.000 1.108 100 L HN -0.095 nan 8.230 nan 0.000 0.495 101 K N 0.589 120.872 120.400 -0.195 0.000 2.156 101 K HA 0.286 4.610 4.320 0.008 0.000 0.254 101 K C -0.791 175.630 176.600 -0.298 0.000 0.950 101 K CA -0.725 55.500 56.287 -0.104 0.000 0.849 101 K CB 1.407 33.881 32.500 -0.044 0.000 1.100 101 K HN 0.350 nan 8.250 nan 0.000 0.434 102 K N 1.630 121.986 120.400 -0.074 0.000 2.355 102 K HA 0.238 4.562 4.320 0.008 0.000 0.270 102 K C -0.406 176.169 176.600 -0.040 0.000 1.003 102 K CA -0.221 56.068 56.287 0.002 0.000 0.957 102 K CB 0.541 33.180 32.500 0.233 0.000 0.939 102 K HN 0.086 nan 8.250 nan 0.000 0.482 103 K N 2.553 122.941 120.400 -0.020 0.000 2.422 103 K HA 0.197 4.521 4.320 0.008 0.000 0.251 103 K C 0.033 176.642 176.600 0.016 0.000 0.933 103 K CA -0.783 55.498 56.287 -0.011 0.000 0.798 103 K CB 1.937 34.421 32.500 -0.026 0.000 1.238 103 K HN 0.571 nan 8.250 nan 0.000 0.428 104 K N 0.562 120.958 120.400 -0.007 0.000 2.076 104 K HA 0.066 4.391 4.320 0.008 0.000 0.204 104 K C 0.218 176.778 176.600 -0.066 0.000 1.051 104 K CA 0.907 57.179 56.287 -0.024 0.000 0.949 104 K CB 0.246 32.726 32.500 -0.034 0.000 0.726 104 K HN 0.448 nan 8.250 nan 0.000 0.443 105 S N 0.161 115.781 115.700 -0.133 0.000 2.548 105 S HA 0.488 4.962 4.470 0.008 0.000 0.286 105 S C -0.969 173.581 174.600 -0.082 0.000 1.098 105 S CA -0.916 57.142 58.200 -0.237 0.000 0.930 105 S CB 2.892 65.635 63.200 -0.762 0.000 1.070 105 S HN -0.126 nan 8.310 nan 0.000 0.480 106 V N 2.356 122.303 119.914 0.055 0.000 2.559 106 V HA 0.382 4.506 4.120 0.008 0.000 0.289 106 V C -0.493 175.771 176.094 0.283 0.000 1.036 106 V CA -0.542 61.892 62.300 0.223 0.000 0.887 106 V CB 1.659 33.679 31.823 0.328 0.000 1.022 106 V HN 0.983 nan 8.190 nan 0.000 0.442 107 T N 4.012 118.740 114.554 0.289 0.000 2.907 107 T HA 0.670 5.024 4.350 0.008 0.000 0.284 107 T C -0.160 174.576 174.700 0.059 0.000 1.004 107 T CA -0.440 61.791 62.100 0.217 0.000 1.063 107 T CB 2.047 71.063 68.868 0.246 0.000 0.992 107 T HN 0.310 nan 8.240 nan 0.000 0.483 108 V N 3.510 123.395 119.914 -0.049 0.000 2.513 108 V HA 0.542 4.667 4.120 0.008 0.000 0.299 108 V C -0.395 175.555 176.094 -0.240 0.000 1.035 108 V CA -0.824 61.250 62.300 -0.377 0.000 0.889 108 V CB 1.598 33.007 31.823 -0.691 0.000 0.988 108 V HN 0.691 nan 8.190 nan 0.000 0.440 109 L N 3.113 124.185 121.223 -0.251 0.000 2.385 109 L HA 0.519 4.864 4.340 0.008 0.000 0.273 109 L C -0.819 176.053 176.870 0.003 0.000 0.990 109 L CA -0.595 54.219 54.840 -0.043 0.000 0.821 109 L CB 2.199 44.226 42.059 -0.054 0.000 1.279 109 L HN 0.605 nan 8.230 nan 0.000 0.412 110 D N 2.387 122.887 120.400 0.166 0.000 2.312 110 D HA 0.254 4.898 4.640 0.008 0.000 0.252 110 D C 0.278 176.621 176.300 0.071 0.000 1.150 110 D CA -0.125 53.958 54.000 0.139 0.000 0.870 110 D CB 1.803 42.676 40.800 0.122 0.000 1.153 110 D HN 0.271 nan 8.370 nan 0.000 0.457 111 V N 1.720 121.678 119.914 0.073 0.000 3.078 111 V HA 0.443 4.567 4.120 0.008 0.000 0.344 111 V C 1.518 177.689 176.094 0.129 0.000 1.409 111 V CA 0.204 62.563 62.300 0.098 0.000 1.146 111 V CB 0.405 32.286 31.823 0.097 0.000 1.126 111 V HN 0.487 nan 8.190 nan 0.000 0.513 112 G N 0.600 109.433 108.800 0.055 0.000 2.450 112 G HA2 -0.190 3.775 3.960 0.008 0.000 0.220 112 G HA3 -0.190 3.775 3.960 0.008 0.000 0.220 112 G C 1.051 175.908 174.900 -0.071 0.000 1.130 112 G CA 1.286 46.353 45.100 -0.056 0.000 0.760 112 G HN 0.521 nan 8.290 nan 0.000 0.557 113 D N 0.937 121.366 120.400 0.049 0.000 2.178 113 D HA -0.013 4.632 4.640 0.008 0.000 0.202 113 D C 2.819 179.188 176.300 0.115 0.000 0.974 113 D CA 1.007 55.085 54.000 0.129 0.000 0.841 113 D CB -0.253 40.628 40.800 0.136 0.000 0.953 113 D HN 0.312 nan 8.370 nan 0.000 0.478 114 A N 0.489 123.374 122.820 0.107 0.000 1.978 114 A HA -0.239 4.086 4.320 0.008 0.000 0.220 114 A C 2.085 179.725 177.584 0.093 0.000 1.170 114 A CA 1.099 53.217 52.037 0.135 0.000 0.636 114 A CB -1.053 18.053 19.000 0.176 0.000 0.810 114 A HN 0.338 nan 8.150 nan 0.000 0.448 115 Y N -0.297 119.839 120.300 -0.273 0.000 2.139 115 Y HA -0.285 4.270 4.550 0.008 0.000 0.282 115 Y C 1.632 177.206 175.900 -0.542 0.000 1.179 115 Y CA 2.203 59.834 58.100 -0.780 0.000 1.161 115 Y CB -0.418 37.236 38.460 -1.343 0.000 0.970 115 Y HN 0.328 nan 8.280 nan 0.000 0.511 116 F N -1.252 118.737 119.950 0.066 0.000 2.802 116 F HA -0.018 4.514 4.527 0.008 0.000 0.300 116 F C 2.085 177.890 175.800 0.007 0.000 1.168 116 F CA 0.556 58.578 58.000 0.036 0.000 1.433 116 F CB -0.042 39.021 39.000 0.106 0.000 1.115 116 F HN -0.077 nan 8.300 nan 0.000 0.582 117 S N -0.590 115.180 115.700 0.116 0.000 2.548 117 S HA 0.083 4.557 4.470 0.008 0.000 0.215 117 S C 0.706 175.340 174.600 0.056 0.000 0.976 117 S CA -0.017 58.247 58.200 0.107 0.000 0.908 117 S CB 0.097 63.367 63.200 0.116 0.000 0.781 117 S HN -0.083 nan 8.310 nan 0.000 0.519 118 V N 5.716 125.616 119.914 -0.023 0.000 2.370 118 V HA 0.213 4.338 4.120 0.008 0.000 0.257 118 V C -2.051 174.024 176.094 -0.032 0.000 1.064 118 V CA -1.864 60.406 62.300 -0.049 0.000 0.975 118 V CB 0.142 31.883 31.823 -0.137 0.000 1.067 118 V HN 0.203 nan 8.190 nan 0.000 0.485 119 P HA 0.197 nan 4.420 nan 0.000 0.275 119 P C -0.643 176.676 177.300 0.031 0.000 1.228 119 P CA -0.529 62.595 63.100 0.040 0.000 0.786 119 P CB 1.598 33.331 31.700 0.055 0.000 0.927 120 L N 2.367 123.615 121.223 0.041 0.000 2.312 120 L HA 0.339 4.684 4.340 0.008 0.000 0.281 120 L C 0.117 177.024 176.870 0.062 0.000 1.070 120 L CA -0.389 54.470 54.840 0.032 0.000 0.805 120 L CB 0.047 42.111 42.059 0.007 0.000 1.174 120 L HN 0.285 nan 8.230 nan 0.000 0.434 121 D N 2.533 122.979 120.400 0.076 0.000 2.662 121 D HA -0.135 4.510 4.640 0.008 0.000 0.233 121 D C 1.129 177.497 176.300 0.113 0.000 1.129 121 D CA 0.653 54.714 54.000 0.101 0.000 0.851 121 D CB 0.810 41.684 40.800 0.124 0.000 1.152 121 D HN 0.711 nan 8.370 nan 0.000 0.507 122 E N 2.806 123.054 120.200 0.081 0.000 2.114 122 E HA -0.249 4.106 4.350 0.008 0.000 0.199 122 E C 0.818 177.446 176.600 0.046 0.000 1.008 122 E CA 1.883 58.318 56.400 0.058 0.000 0.810 122 E CB 0.002 29.729 29.700 0.044 0.000 0.739 122 E HN 0.568 nan 8.360 nan 0.000 0.456 123 D N -1.230 119.212 120.400 0.071 0.000 2.347 123 D HA -0.080 4.564 4.640 0.008 0.000 0.215 123 D C 1.042 177.360 176.300 0.030 0.000 0.976 123 D CA 0.412 54.438 54.000 0.043 0.000 0.884 123 D CB -0.116 40.734 40.800 0.083 0.000 0.915 123 D HN 0.268 nan 8.370 nan 0.000 0.526 124 F N 1.032 120.951 119.950 -0.051 0.000 2.717 124 F HA 0.177 4.709 4.527 0.008 0.000 0.295 124 F C 1.988 177.703 175.800 -0.142 0.000 1.117 124 F CA -0.099 57.887 58.000 -0.024 0.000 1.361 124 F CB 0.298 39.348 39.000 0.083 0.000 1.112 124 F HN -0.284 nan 8.300 nan 0.000 0.594 125 R N 1.202 121.684 120.500 -0.029 0.000 2.103 125 R HA -0.235 4.109 4.340 0.008 0.000 0.242 125 R C 2.269 178.478 176.300 -0.151 0.000 1.142 125 R CA 2.153 58.224 56.100 -0.048 0.000 0.960 125 R CB -0.626 29.679 30.300 0.009 0.000 0.858 125 R HN 0.382 nan 8.270 nan 0.000 0.439 126 K N -0.076 120.155 120.400 -0.283 0.000 2.160 126 K HA -0.198 4.126 4.320 0.008 0.000 0.206 126 K C 1.316 177.763 176.600 -0.254 0.000 1.047 126 K CA 1.743 57.881 56.287 -0.249 0.000 0.930 126 K CB -0.413 31.915 32.500 -0.288 0.000 0.720 126 K HN 0.222 nan 8.250 nan 0.000 0.450 127 Y N 2.450 122.498 120.300 -0.420 0.000 2.571 127 Y HA -0.044 4.511 4.550 0.008 0.000 0.294 127 Y C 2.162 177.930 175.900 -0.220 0.000 1.141 127 Y CA 1.124 58.874 58.100 -0.583 0.000 1.308 127 Y CB -0.468 37.375 38.460 -1.028 0.000 1.002 127 Y HN 0.345 nan 8.280 nan 0.000 0.551 128 T N -2.580 112.002 114.554 0.047 0.000 3.163 128 T HA 0.515 4.870 4.350 0.008 0.000 0.252 128 T C 0.818 175.805 174.700 0.479 0.000 1.056 128 T CA -0.035 62.259 62.100 0.323 0.000 0.947 128 T CB -0.589 68.457 68.868 0.295 0.000 1.016 128 T HN 0.186 nan 8.240 nan 0.000 0.554 129 A N 1.825 124.826 122.820 0.302 0.000 2.540 129 A HA 0.542 4.866 4.320 0.008 0.000 0.239 129 A C -0.047 177.735 177.584 0.331 0.000 1.061 129 A CA -0.420 51.757 52.037 0.233 0.000 0.758 129 A CB -0.483 18.605 19.000 0.147 0.000 0.991 129 A HN 0.798 nan 8.150 nan 0.000 0.502 130 F N -0.709 119.324 119.950 0.138 0.000 2.643 130 F HA 0.830 5.361 4.527 0.008 0.000 0.314 130 F C -0.380 175.465 175.800 0.074 0.000 1.096 130 F CA -0.825 57.229 58.000 0.091 0.000 0.953 130 F CB 1.513 40.556 39.000 0.072 0.000 1.345 130 F HN 0.341 nan 8.300 nan 0.000 0.468 131 T N 2.602 117.304 114.554 0.246 0.000 2.879 131 T HA 0.532 4.886 4.350 0.008 0.000 0.290 131 T C -0.542 174.252 174.700 0.157 0.000 0.993 131 T CA -0.360 61.802 62.100 0.104 0.000 0.975 131 T CB 1.334 70.222 68.868 0.034 0.000 0.981 131 T HN 0.591 nan 8.240 nan 0.000 0.439 132 I N 4.966 125.621 120.570 0.141 0.000 2.322 132 I HA 0.253 4.427 4.170 0.008 0.000 0.292 132 I C -2.081 174.054 176.117 0.031 0.000 1.060 132 I CA -2.346 59.020 61.300 0.110 0.000 1.309 132 I CB 0.888 38.973 38.000 0.141 0.000 1.415 132 I HN 0.300 nan 8.210 nan 0.000 0.492 133 P HA -0.010 nan 4.420 nan 0.000 0.269 133 P C -0.398 176.891 177.300 -0.019 0.000 1.211 133 P CA -0.180 62.912 63.100 -0.013 0.000 0.781 133 P CB 0.439 32.128 31.700 -0.018 0.000 0.877 134 S N 1.106 116.791 115.700 -0.025 0.000 2.646 134 S HA 0.395 4.870 4.470 0.008 0.000 0.276 134 S C 0.328 174.912 174.600 -0.026 0.000 1.222 134 S CA -0.818 57.366 58.200 -0.027 0.000 1.014 134 S CB 0.264 63.445 63.200 -0.031 0.000 0.991 134 S HN 0.188 nan 8.310 nan 0.000 0.533 135 I N 3.131 123.686 120.570 -0.026 0.000 2.742 135 I HA 0.008 4.182 4.170 0.008 0.000 0.287 135 I C 0.741 176.845 176.117 -0.021 0.000 1.186 135 I CA 0.817 62.102 61.300 -0.024 0.000 1.417 135 I CB -1.169 36.817 38.000 -0.023 0.000 1.377 135 I HN 0.826 nan 8.210 nan 0.000 0.556 136 N N 4.929 123.618 118.700 -0.018 0.000 2.778 136 N HA -0.244 4.500 4.740 0.008 0.000 0.249 136 N C 0.279 175.779 175.510 -0.017 0.000 1.069 136 N CA 1.008 54.048 53.050 -0.015 0.000 0.831 136 N CB -1.037 37.442 38.487 -0.014 0.000 1.142 136 N HN 0.720 nan 8.380 nan 0.000 0.573 137 N N -0.389 118.299 118.700 -0.021 0.000 2.725 137 N HA -0.204 4.540 4.740 0.008 0.000 0.249 137 N C 0.034 175.530 175.510 -0.024 0.000 1.103 137 N CA 1.412 54.448 53.050 -0.023 0.000 0.707 137 N CB -0.988 37.485 38.487 -0.022 0.000 1.043 137 N HN 0.673 nan 8.380 nan 0.000 0.553 138 E N -0.781 119.405 120.200 -0.023 0.000 2.481 138 E HA 0.046 4.400 4.350 0.008 0.000 0.198 138 E C 0.750 177.334 176.600 -0.027 0.000 1.027 138 E CA 0.527 56.913 56.400 -0.023 0.000 0.900 138 E CB 0.568 30.256 29.700 -0.020 0.000 0.993 138 E HN 0.557 nan 8.360 nan 0.000 0.482 139 T N -1.611 112.925 114.554 -0.030 0.000 2.865 139 T HA 0.469 4.823 4.350 0.008 0.000 0.294 139 T C -2.964 171.711 174.700 -0.041 0.000 1.119 139 T CA -2.338 59.741 62.100 -0.035 0.000 1.007 139 T CB 1.679 70.525 68.868 -0.036 0.000 1.225 139 T HN -0.322 nan 8.240 nan 0.000 0.515 140 P HA 0.372 nan 4.420 nan 0.000 0.271 140 P C 0.520 177.783 177.300 -0.062 0.000 1.216 140 P CA 0.024 63.091 63.100 -0.056 0.000 0.771 140 P CB 0.178 31.839 31.700 -0.064 0.000 0.864 141 G N 2.901 111.666 108.800 -0.058 0.000 2.614 141 G HA2 0.196 4.161 3.960 0.008 0.000 0.239 141 G HA3 0.196 4.161 3.960 0.008 0.000 0.239 141 G C -0.105 174.741 174.900 -0.090 0.000 1.240 141 G CA -0.588 44.478 45.100 -0.056 0.000 0.842 141 G HN 0.462 nan 8.290 nan 0.000 0.584 142 I N 1.582 122.096 120.570 -0.093 0.000 2.416 142 I HA 0.184 4.359 4.170 0.008 0.000 0.288 142 I C 0.511 176.475 176.117 -0.255 0.000 1.051 142 I CA -0.218 60.968 61.300 -0.190 0.000 1.375 142 I CB 0.618 38.527 38.000 -0.153 0.000 1.407 142 I HN 0.188 nan 8.210 nan 0.000 0.516 143 R N 6.459 126.736 120.500 -0.373 0.000 2.346 143 R HA 0.560 4.905 4.340 0.008 0.000 0.311 143 R C -1.338 174.612 176.300 -0.584 0.000 0.983 143 R CA -0.710 55.166 56.100 -0.375 0.000 0.880 143 R CB 1.697 31.851 30.300 -0.244 0.000 1.100 143 R HN 0.470 nan 8.270 nan 0.000 0.453 144 Y N 0.281 120.199 120.300 -0.637 0.000 2.581 144 Y HA 0.271 4.825 4.550 0.008 0.000 0.345 144 Y C 0.112 175.649 175.900 -0.604 0.000 1.036 144 Y CA -0.890 56.798 58.100 -0.685 0.000 1.042 144 Y CB 2.421 40.288 38.460 -0.988 0.000 1.289 144 Y HN 0.458 nan 8.280 nan 0.000 0.471 145 Q N 0.100 119.839 119.800 -0.101 0.000 2.421 145 Q HA 0.518 4.862 4.340 0.008 0.000 0.280 145 Q C -2.088 173.969 176.000 0.095 0.000 1.085 145 Q CA -1.109 54.724 55.803 0.050 0.000 0.807 145 Q CB 2.206 30.970 28.738 0.043 0.000 1.405 145 Q HN 0.650 nan 8.270 nan 0.000 0.419 146 Y N 1.264 121.675 120.300 0.185 0.000 2.304 146 Y HA 0.199 4.754 4.550 0.008 0.000 0.327 146 Y C 0.903 176.849 175.900 0.077 0.000 1.209 146 Y CA 0.272 58.465 58.100 0.154 0.000 1.299 146 Y CB 0.985 39.531 38.460 0.144 0.000 1.249 146 Y HN 0.737 nan 8.280 nan 0.000 0.519 147 N N 0.573 119.421 118.700 0.246 0.000 2.273 147 N HA 0.077 4.821 4.740 0.008 0.000 0.192 147 N C -0.517 175.086 175.510 0.156 0.000 1.132 147 N CA 0.440 53.581 53.050 0.152 0.000 0.887 147 N CB 0.893 39.442 38.487 0.104 0.000 1.048 147 N HN 0.373 nan 8.380 nan 0.000 0.490 148 V N -1.831 118.222 119.914 0.232 0.000 3.158 148 V HA 0.544 4.668 4.120 0.008 0.000 0.315 148 V C 0.098 176.242 176.094 0.084 0.000 1.148 148 V CA -1.173 61.225 62.300 0.164 0.000 1.042 148 V CB 1.467 33.449 31.823 0.265 0.000 1.101 148 V HN -0.131 nan 8.190 nan 0.000 0.448 149 L N 2.221 123.408 121.223 -0.061 0.000 2.562 149 L HA 0.295 4.640 4.340 0.008 0.000 0.271 149 L C -2.219 174.629 176.870 -0.037 0.000 1.167 149 L CA -0.951 53.831 54.840 -0.097 0.000 0.917 149 L CB -0.044 41.861 42.059 -0.256 0.000 1.187 149 L HN 0.487 nan 8.230 nan 0.000 0.482 150 P HA 0.093 nan 4.420 nan 0.000 0.280 150 P C -0.725 176.543 177.300 -0.054 0.000 1.244 150 P CA -0.516 62.292 63.100 -0.486 0.000 0.784 150 P CB 0.609 31.613 31.700 -1.161 0.000 0.913 151 Q N 1.759 121.614 119.800 0.092 0.000 2.337 151 Q HA 0.256 4.601 4.340 0.008 0.000 0.270 151 Q C 1.550 177.641 176.000 0.152 0.000 1.002 151 Q CA 1.337 57.205 55.803 0.107 0.000 0.888 151 Q CB 0.232 29.015 28.738 0.075 0.000 1.222 151 Q HN 0.892 nan 8.270 nan 0.000 0.400 152 G N 1.860 110.732 108.800 0.119 0.000 2.241 152 G HA2 -0.262 3.702 3.960 0.008 0.000 0.244 152 G HA3 -0.262 3.702 3.960 0.008 0.000 0.244 152 G C -0.305 174.713 174.900 0.196 0.000 0.998 152 G CA 0.086 45.296 45.100 0.182 0.000 0.621 152 G HN 0.596 nan 8.290 nan 0.000 0.519 153 W N 2.364 123.567 121.300 -0.161 0.000 2.202 153 W HA 0.606 5.270 4.660 0.008 0.000 0.332 153 W C 1.405 177.834 176.519 -0.150 0.000 1.263 153 W CA -0.179 56.994 57.345 -0.285 0.000 1.223 153 W CB 0.818 29.948 29.460 -0.549 0.000 1.128 153 W HN 0.095 nan 8.180 nan 0.000 0.573 154 K N 2.380 122.316 120.400 -0.774 0.000 2.074 154 K HA -0.158 4.166 4.320 0.008 0.000 0.209 154 K C 1.720 177.695 176.600 -1.042 0.000 1.048 154 K CA 1.953 57.801 56.287 -0.731 0.000 0.926 154 K CB -0.628 31.586 32.500 -0.476 0.000 0.713 154 K HN 0.741 nan 8.250 nan 0.000 0.444 155 G N -0.680 106.900 108.800 -2.032 0.000 2.880 155 G HA2 -0.054 3.911 3.960 0.008 0.000 0.209 155 G HA3 -0.054 3.911 3.960 0.008 0.000 0.209 155 G C 1.198 175.452 174.900 -1.077 0.000 1.157 155 G CA 0.102 43.967 45.100 -2.059 0.000 0.779 155 G HN 0.210 nan 8.290 nan 0.000 0.539 156 S N 1.799 117.159 115.700 -0.566 0.000 2.353 156 S HA -0.097 4.378 4.470 0.008 0.000 0.222 156 S C 0.124 174.665 174.600 -0.098 0.000 1.035 156 S CA 1.580 59.698 58.200 -0.137 0.000 1.025 156 S CB -0.717 62.525 63.200 0.070 0.000 0.902 156 S HN 0.304 nan 8.310 nan 0.000 0.440 157 P HA -0.041 nan 4.420 nan 0.000 0.214 157 P C 1.497 178.749 177.300 -0.080 0.000 1.163 157 P CA 1.524 64.601 63.100 -0.040 0.000 0.883 157 P CB -0.144 31.500 31.700 -0.094 0.000 0.788 158 A N -0.852 121.832 122.820 -0.227 0.000 1.902 158 A HA -0.169 4.156 4.320 0.008 0.000 0.217 158 A C 2.221 179.711 177.584 -0.157 0.000 1.181 158 A CA 1.529 53.449 52.037 -0.195 0.000 0.623 158 A CB -1.662 17.188 19.000 -0.251 0.000 0.818 158 A HN 0.111 nan 8.150 nan 0.000 0.443 159 I N -1.840 118.590 120.570 -0.233 0.000 2.315 159 I HA -0.192 3.982 4.170 0.008 0.000 0.248 159 I C 2.341 178.445 176.117 -0.020 0.000 1.117 159 I CA 1.337 62.565 61.300 -0.120 0.000 1.404 159 I CB -0.295 37.627 38.000 -0.129 0.000 1.071 159 I HN 0.511 nan 8.210 nan 0.000 0.419 160 F N 1.584 121.430 119.950 -0.174 0.000 2.102 160 F HA -0.296 4.236 4.527 0.008 0.000 0.298 160 F C 2.654 178.386 175.800 -0.114 0.000 1.105 160 F CA 1.547 59.454 58.000 -0.155 0.000 1.239 160 F CB -0.042 38.915 39.000 -0.071 0.000 0.991 160 F HN 0.021 nan 8.300 nan 0.000 0.474 161 Q N 0.196 119.865 119.800 -0.218 0.000 2.050 161 Q HA -0.213 4.132 4.340 0.008 0.000 0.202 161 Q C 2.426 178.283 176.000 -0.238 0.000 0.980 161 Q CA 2.276 57.883 55.803 -0.326 0.000 0.840 161 Q CB -0.382 28.252 28.738 -0.174 0.000 0.898 161 Q HN 0.539 nan 8.270 nan 0.000 0.424 162 S N -0.191 115.432 115.700 -0.129 0.000 2.402 162 S HA -0.092 4.382 4.470 0.008 0.000 0.229 162 S C 2.058 176.588 174.600 -0.116 0.000 1.021 162 S CA 1.262 59.413 58.200 -0.081 0.000 0.974 162 S CB -0.194 62.998 63.200 -0.013 0.000 0.800 162 S HN 0.138 nan 8.310 nan 0.000 0.484 163 S N 1.537 117.154 115.700 -0.137 0.000 2.368 163 S HA 0.063 4.538 4.470 0.008 0.000 0.224 163 S C 1.810 176.261 174.600 -0.248 0.000 1.029 163 S CA 1.406 59.516 58.200 -0.150 0.000 0.988 163 S CB -0.453 62.693 63.200 -0.090 0.000 0.838 163 S HN 0.512 nan 8.310 nan 0.000 0.462 164 M N 1.894 121.291 119.600 -0.338 0.000 2.132 164 M HA -0.045 4.439 4.480 0.008 0.000 0.263 164 M C 1.976 178.102 176.300 -0.291 0.000 1.065 164 M CA 1.570 56.638 55.300 -0.388 0.000 1.122 164 M CB -1.219 31.030 32.600 -0.586 0.000 1.365 164 M HN 0.147 nan 8.290 nan 0.000 0.411 165 T N 0.165 114.580 114.554 -0.233 0.000 2.746 165 T HA -0.184 4.171 4.350 0.008 0.000 0.267 165 T C 1.813 176.441 174.700 -0.119 0.000 1.039 165 T CA 1.753 63.765 62.100 -0.146 0.000 1.142 165 T CB -0.257 68.551 68.868 -0.100 0.000 0.866 165 T HN 0.448 nan 8.240 nan 0.000 0.444 166 K N 0.494 120.814 120.400 -0.134 0.000 2.097 166 K HA 0.002 4.327 4.320 0.008 0.000 0.206 166 K C 2.167 178.674 176.600 -0.155 0.000 1.049 166 K CA 1.104 57.329 56.287 -0.104 0.000 0.933 166 K CB -0.229 32.217 32.500 -0.091 0.000 0.717 166 K HN 0.318 nan 8.250 nan 0.000 0.442 167 I N 0.757 121.126 120.570 -0.336 0.000 2.286 167 I HA -0.251 3.923 4.170 0.008 0.000 0.245 167 I C 1.958 177.961 176.117 -0.190 0.000 1.104 167 I CA 0.932 61.853 61.300 -0.632 0.000 1.397 167 I CB -0.019 37.382 38.000 -0.997 0.000 1.072 167 I HN 0.161 nan 8.210 nan 0.000 0.417 168 L N 0.000 121.156 121.223 -0.113 0.000 2.217 168 L HA -0.148 4.196 4.340 0.008 0.000 0.211 168 L C 2.389 179.306 176.870 0.078 0.000 1.107 168 L CA 0.595 55.450 54.840 0.025 0.000 0.783 168 L CB -0.461 41.576 42.059 -0.037 0.000 0.919 168 L HN 0.179 nan 8.230 nan 0.000 0.442 169 E N 0.951 121.173 120.200 0.037 0.000 2.082 169 E HA -0.240 4.114 4.350 0.008 0.000 0.215 169 E C -0.585 176.051 176.600 0.060 0.000 1.048 169 E CA 2.376 58.801 56.400 0.042 0.000 0.869 169 E CB -1.121 28.597 29.700 0.030 0.000 0.773 169 E HN 0.288 nan 8.360 nan 0.000 0.466 170 P HA -0.161 nan 4.420 nan 0.000 0.218 170 P C 1.420 178.712 177.300 -0.012 0.000 1.148 170 P CA 1.180 64.325 63.100 0.075 0.000 0.822 170 P CB -0.195 31.611 31.700 0.177 0.000 0.784 171 F N 1.353 121.169 119.950 -0.223 0.000 2.146 171 F HA -0.012 4.520 4.527 0.008 0.000 0.298 171 F C 2.472 178.186 175.800 -0.143 0.000 1.096 171 F CA 1.510 59.323 58.000 -0.311 0.000 1.275 171 F CB -0.774 37.943 39.000 -0.471 0.000 1.008 171 F HN -0.091 nan 8.300 nan 0.000 0.480 172 A N 0.343 123.190 122.820 0.044 0.000 1.877 172 A HA -0.101 4.223 4.320 0.008 0.000 0.216 172 A C 2.391 179.927 177.584 -0.080 0.000 1.186 172 A CA 1.858 53.893 52.037 -0.004 0.000 0.620 172 A CB -1.588 17.436 19.000 0.041 0.000 0.822 172 A HN 0.461 nan 8.150 nan 0.000 0.443 173 A N -0.849 121.935 122.820 -0.060 0.000 1.933 173 A HA -0.189 4.135 4.320 0.008 0.000 0.218 173 A C 1.972 179.497 177.584 -0.098 0.000 1.175 173 A CA 1.624 53.626 52.037 -0.059 0.000 0.628 173 A CB -0.448 18.535 19.000 -0.028 0.000 0.814 173 A HN 0.668 nan 8.150 nan 0.000 0.444 174 Q N -0.470 119.235 119.800 -0.159 0.000 2.320 174 Q HA 0.143 4.487 4.340 0.008 0.000 0.201 174 Q C -0.609 175.234 176.000 -0.262 0.000 0.910 174 Q CA -0.055 55.638 55.803 -0.184 0.000 0.946 174 Q CB 0.299 28.933 28.738 -0.174 0.000 1.062 174 Q HN 0.504 nan 8.270 nan 0.000 0.503 175 N N 0.917 119.440 118.700 -0.295 0.000 2.711 175 N HA 0.109 4.854 4.740 0.008 0.000 0.263 175 N C -2.295 173.120 175.510 -0.159 0.000 1.667 175 N CA -0.786 52.087 53.050 -0.295 0.000 0.785 175 N CB 1.339 39.502 38.487 -0.540 0.000 1.231 175 N HN 0.080 nan 8.380 nan 0.000 0.503 176 P HA -0.100 nan 4.420 nan 0.000 0.228 176 P C 0.278 177.555 177.300 -0.039 0.000 1.151 176 P CA 1.054 64.118 63.100 -0.059 0.000 0.770 176 P CB 0.155 31.827 31.700 -0.048 0.000 0.786 177 D N -0.004 120.372 120.400 -0.041 0.000 2.319 177 D HA 0.062 4.707 4.640 0.008 0.000 0.230 177 D C 1.071 177.376 176.300 0.009 0.000 1.094 177 D CA -0.245 53.746 54.000 -0.014 0.000 0.856 177 D CB -0.740 40.054 40.800 -0.009 0.000 0.915 177 D HN 0.331 nan 8.370 nan 0.000 0.517 178 I N -2.771 117.802 120.570 0.005 0.000 2.934 178 I HA 0.686 4.861 4.170 0.008 0.000 0.306 178 I C -0.873 175.266 176.117 0.037 0.000 1.110 178 I CA -1.714 59.611 61.300 0.041 0.000 1.019 178 I CB 2.533 40.572 38.000 0.065 0.000 1.227 178 I HN -0.181 nan 8.210 nan 0.000 0.434 179 V N 2.116 122.059 119.914 0.048 0.000 2.680 179 V HA 0.701 4.825 4.120 0.008 0.000 0.309 179 V C -0.568 175.565 176.094 0.065 0.000 1.052 179 V CA -0.571 61.751 62.300 0.036 0.000 0.908 179 V CB 1.648 33.468 31.823 -0.004 0.000 1.001 179 V HN 0.737 nan 8.190 nan 0.000 0.431 180 I N 4.345 124.960 120.570 0.075 0.000 2.498 180 I HA 0.590 4.765 4.170 0.008 0.000 0.290 180 I C -1.429 174.767 176.117 0.131 0.000 1.032 180 I CA -0.640 60.716 61.300 0.094 0.000 1.073 180 I CB 2.187 40.233 38.000 0.077 0.000 1.251 180 I HN 0.850 nan 8.210 nan 0.000 0.426 181 Y N 5.488 125.785 120.300 -0.005 0.000 2.457 181 Y HA 0.412 4.967 4.550 0.008 0.000 0.343 181 Y C -1.099 174.844 175.900 0.071 0.000 0.994 181 Y CA -0.590 57.495 58.100 -0.025 0.000 1.031 181 Y CB 1.789 40.156 38.460 -0.155 0.000 1.246 181 Y HN 0.552 nan 8.280 nan 0.000 0.449 182 Q N 5.119 124.567 119.800 -0.588 0.000 2.293 182 Q HA 0.366 4.711 4.340 0.008 0.000 0.261 182 Q C -2.249 173.416 176.000 -0.558 0.000 0.960 182 Q CA -0.900 54.659 55.803 -0.406 0.000 0.882 182 Q CB 1.467 30.022 28.738 -0.305 0.000 1.275 182 Q HN 0.750 nan 8.270 nan 0.000 0.445 183 Y N 6.904 127.045 120.300 -0.265 0.000 2.315 183 Y HA 0.291 4.846 4.550 0.008 0.000 0.324 183 Y C -0.215 175.738 175.900 0.089 0.000 1.062 183 Y CA -0.444 57.609 58.100 -0.078 0.000 1.159 183 Y CB 0.577 39.119 38.460 0.138 0.000 1.145 183 Y HN 0.902 nan 8.280 nan 0.000 0.442 184 M N 1.546 120.919 119.600 -0.377 0.000 7.319 184 M HA -0.321 4.164 4.480 0.008 0.000 0.319 184 M C -0.215 176.074 176.300 -0.019 0.000 0.480 184 M CA 1.632 56.768 55.300 -0.273 0.000 1.311 184 M CB -1.228 31.144 32.600 -0.380 0.000 0.421 184 M HN 0.589 nan 8.290 nan 0.000 0.676 185 D N 1.714 122.113 120.400 -0.003 0.000 2.358 185 D HA 0.258 4.903 4.640 0.008 0.000 0.224 185 D C -0.349 175.990 176.300 0.065 0.000 1.123 185 D CA 0.445 54.488 54.000 0.072 0.000 0.833 185 D CB 0.100 40.896 40.800 -0.006 0.000 0.946 185 D HN 0.294 nan 8.370 nan 0.000 0.505 186 D N 0.235 120.653 120.400 0.031 0.000 2.419 186 D HA 0.382 5.026 4.640 0.008 0.000 0.234 186 D C 0.025 176.258 176.300 -0.112 0.000 1.014 186 D CA -0.493 53.453 54.000 -0.090 0.000 0.919 186 D CB 2.588 43.214 40.800 -0.291 0.000 1.366 186 D HN -0.099 nan 8.370 nan 0.000 0.490 187 L N 1.454 122.541 121.223 -0.226 0.000 2.341 187 L HA 0.378 4.723 4.340 0.008 0.000 0.278 187 L C -1.176 175.533 176.870 -0.268 0.000 1.005 187 L CA -0.854 53.906 54.840 -0.133 0.000 0.818 187 L CB 1.113 43.108 42.059 -0.107 0.000 1.259 187 L HN 0.252 nan 8.230 nan 0.000 0.418 188 Y N 2.271 122.525 120.300 -0.077 0.000 2.328 188 Y HA 0.483 5.037 4.550 0.008 0.000 0.337 188 Y C -0.118 175.763 175.900 -0.031 0.000 0.966 188 Y CA -0.836 57.207 58.100 -0.095 0.000 1.136 188 Y CB 1.927 40.275 38.460 -0.186 0.000 1.170 188 Y HN 0.113 nan 8.280 nan 0.000 0.470 189 V N 3.310 123.289 119.914 0.110 0.000 2.378 189 V HA 0.812 4.937 4.120 0.008 0.000 0.288 189 V C 0.239 176.445 176.094 0.187 0.000 1.016 189 V CA -0.729 61.641 62.300 0.116 0.000 0.840 189 V CB 1.353 33.214 31.823 0.064 0.000 0.994 189 V HN 0.920 nan 8.190 nan 0.000 0.431 190 G N 2.859 111.750 108.800 0.151 0.000 2.481 190 G HA2 0.844 4.808 3.960 0.008 0.000 0.315 190 G HA3 0.844 4.808 3.960 0.008 0.000 0.315 190 G C -0.601 174.391 174.900 0.153 0.000 1.231 190 G CA -0.133 45.063 45.100 0.161 0.000 0.968 190 G HN 1.015 nan 8.290 nan 0.000 0.482 191 S N -0.737 115.057 115.700 0.155 0.000 2.636 191 S HA 0.524 4.998 4.470 0.008 0.000 0.268 191 S C -1.135 173.502 174.600 0.061 0.000 1.159 191 S CA -0.719 57.560 58.200 0.131 0.000 0.815 191 S CB 2.157 65.505 63.200 0.246 0.000 1.130 191 S HN 0.297 nan 8.310 nan 0.000 0.471 192 D N 0.396 120.825 120.400 0.048 0.000 2.479 192 D HA 0.367 5.011 4.640 0.008 0.000 0.218 192 D C 0.048 176.366 176.300 0.030 0.000 1.177 192 D CA -0.072 53.940 54.000 0.021 0.000 0.830 192 D CB 0.157 40.964 40.800 0.012 0.000 1.014 192 D HN 0.440 nan 8.370 nan 0.000 0.503 193 L N 1.360 122.622 121.223 0.064 0.000 2.467 193 L HA 0.044 4.389 4.340 0.008 0.000 0.270 193 L C 1.057 177.962 176.870 0.058 0.000 1.205 193 L CA -0.171 54.712 54.840 0.072 0.000 0.828 193 L CB 0.577 42.708 42.059 0.120 0.000 1.101 193 L HN -0.203 nan 8.230 nan 0.000 0.479 194 E N 2.375 122.603 120.200 0.048 0.000 2.480 194 E HA -0.095 4.259 4.350 0.008 0.000 0.258 194 E C 1.087 177.726 176.600 0.064 0.000 0.984 194 E CA 0.296 56.719 56.400 0.039 0.000 0.930 194 E CB 0.735 30.455 29.700 0.032 0.000 0.936 194 E HN 0.542 nan 8.360 nan 0.000 0.466 195 I N 3.178 123.778 120.570 0.049 0.000 2.285 195 I HA -0.344 3.831 4.170 0.008 0.000 0.253 195 I C 1.761 177.949 176.117 0.118 0.000 1.104 195 I CA 2.049 63.395 61.300 0.076 0.000 1.372 195 I CB -0.013 38.007 38.000 0.034 0.000 1.057 195 I HN 0.618 nan 8.210 nan 0.000 0.431 196 G N -0.420 108.428 108.800 0.080 0.000 2.433 196 G HA2 -0.283 3.681 3.960 0.008 0.000 0.216 196 G HA3 -0.283 3.681 3.960 0.008 0.000 0.216 196 G C 1.436 176.385 174.900 0.082 0.000 1.186 196 G CA 0.767 45.910 45.100 0.072 0.000 0.779 196 G HN 0.519 nan 8.290 nan 0.000 0.543 197 Q N -0.747 119.100 119.800 0.079 0.000 2.170 197 Q HA -0.141 4.203 4.340 0.008 0.000 0.203 197 Q C 2.205 178.260 176.000 0.090 0.000 0.976 197 Q CA 1.425 57.270 55.803 0.070 0.000 0.858 197 Q CB -0.204 28.569 28.738 0.057 0.000 0.907 197 Q HN 0.799 nan 8.270 nan 0.000 0.433 198 H N 0.728 119.820 119.070 0.038 0.000 2.326 198 H HA 0.006 4.566 4.556 0.008 0.000 0.301 198 H C 1.900 177.262 175.328 0.057 0.000 1.081 198 H CA 1.474 57.551 56.048 0.048 0.000 1.334 198 H CB 0.266 30.055 29.762 0.044 0.000 1.385 198 H HN 0.011 nan 8.280 nan 0.000 0.504 199 R N -0.650 119.918 120.500 0.113 0.000 2.120 199 R HA -0.075 4.269 4.340 0.008 0.000 0.234 199 R C 2.217 178.522 176.300 0.008 0.000 1.123 199 R CA 1.612 57.744 56.100 0.055 0.000 0.975 199 R CB -0.189 30.172 30.300 0.102 0.000 0.866 199 R HN 0.336 nan 8.270 nan 0.000 0.446 200 T N 1.092 115.661 114.554 0.025 0.000 2.746 200 T HA -0.087 4.268 4.350 0.008 0.000 0.267 200 T C 1.649 176.369 174.700 0.034 0.000 1.039 200 T CA 0.994 63.113 62.100 0.031 0.000 1.142 200 T CB 0.017 68.907 68.868 0.037 0.000 0.866 200 T HN 0.096 nan 8.240 nan 0.000 0.444 201 K N 1.028 121.433 120.400 0.008 0.000 2.103 201 K HA -0.002 4.322 4.320 0.008 0.000 0.207 201 K C 2.155 178.800 176.600 0.077 0.000 1.048 201 K CA 0.851 57.173 56.287 0.058 0.000 0.930 201 K CB -0.509 31.987 32.500 -0.007 0.000 0.716 201 K HN 0.337 nan 8.250 nan 0.000 0.444 202 I N 1.542 122.076 120.570 -0.060 0.000 2.252 202 I HA -0.183 3.992 4.170 0.008 0.000 0.245 202 I C 2.049 178.155 176.117 -0.019 0.000 1.102 202 I CA 1.193 62.454 61.300 -0.064 0.000 1.385 202 I CB -0.875 37.072 38.000 -0.088 0.000 1.064 202 I HN 0.147 nan 8.210 nan 0.000 0.414 203 E N 0.938 121.146 120.200 0.013 0.000 2.150 203 E HA -0.179 4.175 4.350 0.008 0.000 0.193 203 E C 2.048 178.678 176.600 0.050 0.000 0.985 203 E CA 0.827 57.243 56.400 0.027 0.000 0.814 203 E CB -0.084 29.638 29.700 0.036 0.000 0.752 203 E HN 0.575 nan 8.360 nan 0.000 0.466 204 E N 0.468 120.731 120.200 0.105 0.000 2.106 204 E HA -0.159 4.195 4.350 0.008 0.000 0.192 204 E C 2.108 178.773 176.600 0.109 0.000 0.984 204 E CA 0.478 56.996 56.400 0.196 0.000 0.806 204 E CB -0.109 29.782 29.700 0.317 0.000 0.750 204 E HN 0.055 nan 8.360 nan 0.000 0.458 205 L N 1.541 122.671 121.223 -0.155 0.000 2.046 205 L HA -0.147 4.197 4.340 0.008 0.000 0.208 205 L C 2.087 178.803 176.870 -0.258 0.000 1.077 205 L CA 1.688 56.105 54.840 -0.706 0.000 0.747 205 L CB -0.196 41.466 42.059 -0.662 0.000 0.896 205 L HN -0.094 nan 8.230 nan 0.000 0.432 206 R N -0.942 119.493 120.500 -0.107 0.000 2.096 206 R HA -0.182 4.163 4.340 0.008 0.000 0.235 206 R C 2.319 178.626 176.300 0.013 0.000 1.127 206 R CA 1.578 57.658 56.100 -0.034 0.000 0.968 206 R CB -0.405 29.890 30.300 -0.009 0.000 0.861 206 R HN 0.567 nan 8.270 nan 0.000 0.440 207 Q N -0.188 119.636 119.800 0.039 0.000 2.119 207 Q HA -0.217 4.128 4.340 0.008 0.000 0.201 207 Q C 1.939 178.007 176.000 0.113 0.000 0.972 207 Q CA 1.611 57.458 55.803 0.073 0.000 0.847 207 Q CB -0.002 28.791 28.738 0.092 0.000 0.903 207 Q HN 0.408 nan 8.270 nan 0.000 0.433 208 H N 0.196 119.287 119.070 0.036 0.000 2.321 208 H HA -0.086 4.474 4.556 0.008 0.000 0.300 208 H C 1.773 177.237 175.328 0.226 0.000 1.087 208 H CA 1.841 57.964 56.048 0.125 0.000 1.319 208 H CB -0.206 29.592 29.762 0.060 0.000 1.379 208 H HN 0.221 nan 8.280 nan 0.000 0.501 209 L N -0.121 121.151 121.223 0.083 0.000 2.201 209 L HA -0.132 4.212 4.340 0.008 0.000 0.212 209 L C 2.366 179.325 176.870 0.148 0.000 1.105 209 L CA 0.640 55.539 54.840 0.098 0.000 0.775 209 L CB -0.324 41.751 42.059 0.027 0.000 0.913 209 L HN 0.340 nan 8.230 nan 0.000 0.440 210 L N -0.547 120.723 121.223 0.077 0.000 2.275 210 L HA -0.168 4.177 4.340 0.008 0.000 0.215 210 L C 2.558 179.429 176.870 0.002 0.000 1.119 210 L CA 0.746 55.615 54.840 0.050 0.000 0.790 210 L CB -0.288 41.788 42.059 0.027 0.000 0.919 210 L HN 0.203 nan 8.230 nan 0.000 0.443 211 R N -0.903 119.555 120.500 -0.070 0.000 2.193 211 R HA -0.148 4.197 4.340 0.008 0.000 0.229 211 R C 1.368 177.410 176.300 -0.429 0.000 1.110 211 R CA 1.149 57.056 56.100 -0.323 0.000 0.988 211 R CB -0.020 29.924 30.300 -0.593 0.000 0.871 211 R HN 0.407 nan 8.270 nan 0.000 0.458 212 W N -0.440 120.804 121.300 -0.093 0.000 3.123 212 W HA 0.321 4.985 4.660 0.008 0.000 0.383 212 W C 0.521 177.023 176.519 -0.028 0.000 1.102 212 W CA 0.326 57.636 57.345 -0.059 0.000 1.865 212 W CB 0.546 29.964 29.460 -0.070 0.000 1.111 212 W HN 0.267 nan 8.180 nan 0.000 0.621 213 G N 2.027 110.899 108.800 0.119 0.000 2.221 213 G HA2 -0.309 3.655 3.960 0.008 0.000 0.265 213 G HA3 -0.309 3.655 3.960 0.008 0.000 0.265 213 G C -0.240 174.726 174.900 0.110 0.000 1.041 213 G CA -0.071 45.082 45.100 0.089 0.000 0.807 213 G HN 0.182 nan 8.290 nan 0.000 0.502 214 L N 1.761 123.062 121.223 0.130 0.000 2.262 214 L HA 0.514 4.858 4.340 0.008 0.000 0.288 214 L C 1.034 177.950 176.870 0.077 0.000 1.035 214 L CA -0.338 54.566 54.840 0.107 0.000 0.820 214 L CB 1.252 43.374 42.059 0.104 0.000 1.204 214 L HN 0.336 nan 8.230 nan 0.000 0.424 215 T N -0.885 113.711 114.554 0.070 0.000 2.928 215 T HA 0.653 5.007 4.350 0.008 0.000 0.284 215 T C 0.129 174.858 174.700 0.049 0.000 1.008 215 T CA -0.706 61.426 62.100 0.054 0.000 1.057 215 T CB 1.719 70.617 68.868 0.051 0.000 1.018 215 T HN 0.555 nan 8.240 nan 0.000 0.493 216 T N -0.619 113.957 114.554 0.037 0.000 2.863 216 T HA 0.492 4.847 4.350 0.008 0.000 0.285 216 T C -1.986 172.733 174.700 0.032 0.000 1.009 216 T CA -1.878 60.243 62.100 0.035 0.000 0.989 216 T CB 1.135 70.017 68.868 0.024 0.000 1.004 216 T HN 0.295 nan 8.240 nan 0.000 0.455 217 P HA -0.212 nan 4.420 nan 0.000 0.225 217 P C 0.683 177.995 177.300 0.019 0.000 1.154 217 P CA 1.990 65.101 63.100 0.019 0.000 0.885 217 P CB -0.110 31.592 31.700 0.004 0.000 0.785 218 D N -3.402 117.013 120.400 0.025 0.000 2.981 218 D HA -0.145 4.499 4.640 0.008 0.000 0.223 218 D C -0.082 176.232 176.300 0.024 0.000 1.151 218 D CA 1.005 55.020 54.000 0.025 0.000 0.827 218 D CB -0.874 39.939 40.800 0.023 0.000 1.101 218 D HN 0.234 nan 8.370 nan 0.000 0.426 219 K N -0.184 120.230 120.400 0.024 0.000 2.279 219 K HA 0.444 4.768 4.320 0.008 0.000 0.238 219 K C 0.172 176.795 176.600 0.040 0.000 1.084 219 K CA -0.741 55.559 56.287 0.021 0.000 0.885 219 K CB 0.980 33.478 32.500 -0.002 0.000 1.319 219 K HN -0.123 nan 8.250 nan 0.000 0.494 220 K N 2.101 122.526 120.400 0.042 0.000 2.299 220 K HA 0.115 4.440 4.320 0.008 0.000 0.268 220 K C -0.302 176.351 176.600 0.090 0.000 1.075 220 K CA -0.349 55.982 56.287 0.073 0.000 0.936 220 K CB 0.252 32.790 32.500 0.064 0.000 1.228 220 K HN 0.423 nan 8.250 nan 0.000 0.454 221 H N 2.828 121.919 119.070 0.034 0.000 3.092 221 H HA -0.096 4.465 4.556 0.008 0.000 0.332 221 H C 0.915 176.274 175.328 0.053 0.000 1.029 221 H CA 1.113 57.182 56.048 0.035 0.000 1.376 221 H CB 1.023 30.798 29.762 0.021 0.000 1.329 221 H HN 0.613 nan 8.280 nan 0.000 0.598 222 Q N 2.927 122.822 119.800 0.159 0.000 2.170 222 Q HA -0.081 4.264 4.340 0.008 0.000 0.203 222 Q C 0.223 176.387 176.000 0.274 0.000 0.976 222 Q CA 1.127 57.036 55.803 0.177 0.000 0.858 222 Q CB 0.103 28.901 28.738 0.100 0.000 0.907 222 Q HN 0.395 nan 8.270 nan 0.000 0.433 223 K N 2.134 122.824 120.400 0.485 0.000 2.379 223 K HA 0.226 4.551 4.320 0.008 0.000 0.284 223 K C -0.087 176.669 176.600 0.261 0.000 1.044 223 K CA 0.273 56.767 56.287 0.345 0.000 0.974 223 K CB 0.708 33.403 32.500 0.325 0.000 0.962 223 K HN 0.145 nan 8.250 nan 0.000 0.474 224 E N 2.253 122.498 120.200 0.074 0.000 2.392 224 E HA 0.278 4.632 4.350 0.008 0.000 0.279 224 E C -2.689 173.560 176.600 -0.585 0.000 0.964 224 E CA -2.161 54.171 56.400 -0.112 0.000 0.777 224 E CB 2.026 31.711 29.700 -0.026 0.000 1.249 224 E HN 0.171 nan 8.360 nan 0.000 0.449 225 P HA -0.002 nan 4.420 nan 0.000 0.263 225 P C -2.318 174.743 177.300 -0.399 0.000 1.175 225 P CA -0.450 62.191 63.100 -0.765 0.000 0.761 225 P CB -0.141 31.373 31.700 -0.311 0.000 0.794 226 P HA 0.303 nan 4.420 nan 0.000 0.279 226 P C -1.127 175.882 177.300 -0.485 0.000 1.252 226 P CA -0.203 62.592 63.100 -0.508 0.000 0.811 226 P CB 0.801 32.124 31.700 -0.628 0.000 1.035 227 F N -0.032 119.903 119.950 -0.026 0.000 2.480 227 F HA 0.418 4.949 4.527 0.007 0.000 0.329 227 F C 0.513 176.389 175.800 0.126 0.000 1.091 227 F CA -1.029 57.014 58.000 0.073 0.000 0.972 227 F CB 1.439 40.473 39.000 0.057 0.000 1.150 227 F HN -0.053 nan 8.300 nan 0.000 0.467 228 L N 2.530 123.977 121.223 0.374 0.000 2.262 228 L HA 0.322 4.667 4.340 0.008 0.000 0.288 228 L C -1.378 175.723 176.870 0.385 0.000 1.035 228 L CA -0.331 54.698 54.840 0.316 0.000 0.820 228 L CB 0.803 43.000 42.059 0.229 0.000 1.204 228 L HN 0.678 nan 8.230 nan 0.000 0.424 229 W N 6.565 127.941 121.300 0.127 0.000 3.042 229 W HA 0.411 5.076 4.660 0.008 0.000 0.337 229 W C -0.120 176.423 176.519 0.040 0.000 1.086 229 W CA -0.808 56.535 57.345 -0.002 0.000 1.236 229 W CB 1.263 30.636 29.460 -0.146 0.000 1.381 229 W HN 0.359 nan 8.180 nan 0.000 0.472 230 M N 5.542 124.789 119.600 -0.589 0.000 2.333 230 M HA -0.225 4.259 4.480 0.008 0.000 0.199 230 M C 1.124 177.156 176.300 -0.448 0.000 0.376 230 M CA 1.973 56.873 55.300 -0.666 0.000 0.440 230 M CB -2.369 29.512 32.600 -1.197 0.000 1.506 230 M HN 1.541 nan 8.290 nan 0.000 0.889 231 G N -1.834 106.815 108.800 -0.252 0.000 2.176 231 G HA2 -0.296 3.668 3.960 0.008 0.000 0.253 231 G HA3 -0.296 3.668 3.960 0.008 0.000 0.253 231 G C -0.190 174.761 174.900 0.085 0.000 0.979 231 G CA 0.489 45.466 45.100 -0.205 0.000 0.641 231 G HN 0.599 nan 8.290 nan 0.000 0.530 232 Y N 0.007 120.502 120.300 0.326 0.000 2.631 232 Y HA 0.704 5.259 4.550 0.007 0.000 0.328 232 Y C 0.625 176.735 175.900 0.349 0.000 1.118 232 Y CA -1.050 57.286 58.100 0.392 0.000 1.206 232 Y CB 1.211 39.906 38.460 0.391 0.000 1.337 232 Y HN 0.063 nan 8.280 nan 0.000 0.515 233 E N 1.651 122.192 120.200 0.568 0.000 2.191 233 E HA 0.442 4.796 4.350 0.008 0.000 0.263 233 E C -1.586 175.253 176.600 0.398 0.000 0.881 233 E CA -0.488 56.136 56.400 0.373 0.000 0.757 233 E CB 1.743 31.651 29.700 0.347 0.000 1.147 233 E HN 0.375 nan 8.360 nan 0.000 0.414 234 L N 4.154 125.540 121.223 0.271 0.000 2.296 234 L HA 0.470 4.815 4.340 0.008 0.000 0.286 234 L C 0.048 176.993 176.870 0.124 0.000 1.023 234 L CA -0.662 54.378 54.840 0.334 0.000 0.812 234 L CB 0.819 43.059 42.059 0.302 0.000 1.223 234 L HN 0.469 nan 8.230 nan 0.000 0.421 235 H N 2.387 121.648 119.070 0.320 0.000 2.737 235 H HA 0.267 4.828 4.556 0.008 0.000 0.358 235 H C -1.810 173.689 175.328 0.285 0.000 1.187 235 H CA -1.836 54.327 56.048 0.193 0.000 1.221 235 H CB 1.987 31.804 29.762 0.092 0.000 1.799 235 H HN 0.286 nan 8.280 nan 0.000 0.568 236 P HA -0.176 nan 4.420 nan 0.000 0.216 236 P C 0.554 178.072 177.300 0.362 0.000 1.150 236 P CA 1.823 65.071 63.100 0.247 0.000 0.843 236 P CB 0.240 32.019 31.700 0.132 0.000 0.787 237 D N -2.725 117.871 120.400 0.327 0.000 2.582 237 D HA 0.087 4.731 4.640 0.008 0.000 0.246 237 D C 0.136 176.443 176.300 0.012 0.000 1.334 237 D CA -0.174 54.001 54.000 0.293 0.000 0.805 237 D CB -0.068 40.814 40.800 0.137 0.000 1.087 237 D HN 0.251 nan 8.370 nan 0.000 0.499 238 K N -0.974 119.355 120.400 -0.119 0.000 2.579 238 K HA 0.584 4.909 4.320 0.008 0.000 0.284 238 K C -1.370 175.148 176.600 -0.137 0.000 0.990 238 K CA -1.087 54.979 56.287 -0.370 0.000 0.880 238 K CB 1.676 33.979 32.500 -0.329 0.000 1.488 238 K HN 0.088 nan 8.250 nan 0.000 0.425 239 W N 0.036 121.208 121.300 -0.212 0.000 3.062 239 W HA 0.763 5.428 4.660 0.007 0.000 0.336 239 W C -1.676 174.936 176.519 0.155 0.000 1.224 239 W CA -0.913 56.480 57.345 0.081 0.000 1.159 239 W CB 1.350 30.802 29.460 -0.014 0.000 1.454 239 W HN 0.843 nan 8.180 nan 0.000 0.569 240 T N 0.012 114.766 114.554 0.333 0.000 2.693 240 T HA 0.448 4.802 4.350 0.008 0.000 0.304 240 T C -1.024 173.948 174.700 0.454 0.000 1.471 240 T CA -0.201 61.877 62.100 -0.037 0.000 0.993 240 T CB 0.959 69.658 68.868 -0.281 0.000 1.554 240 T HN 0.924 nan 8.240 nan 0.000 0.496 241 V N 0.915 121.024 119.914 0.325 0.000 2.904 241 V HA 0.624 4.749 4.120 0.008 0.000 0.305 241 V C 0.423 176.727 176.094 0.349 0.000 1.067 241 V CA -0.710 61.846 62.300 0.428 0.000 1.044 241 V CB 0.661 32.633 31.823 0.249 0.000 1.050 241 V HN 0.965 nan 8.190 nan 0.000 0.475 242 Q N 1.876 121.892 119.800 0.359 0.000 2.421 242 Q HA 0.259 4.604 4.340 0.008 0.000 0.255 242 Q C -2.262 173.858 176.000 0.201 0.000 1.013 242 Q CA -1.265 54.687 55.803 0.249 0.000 0.895 242 Q CB 0.116 28.969 28.738 0.191 0.000 1.271 242 Q HN 0.625 nan 8.270 nan 0.000 0.460 243 P HA -0.166 nan 4.420 nan 0.000 0.257 243 P C -1.079 176.269 177.300 0.079 0.000 1.144 243 P CA 0.913 64.074 63.100 0.101 0.000 0.761 243 P CB 0.231 31.979 31.700 0.080 0.000 0.734 244 I N 4.627 125.221 120.570 0.039 0.000 2.312 244 I HA 0.176 4.350 4.170 0.008 0.000 0.290 244 I C 0.020 176.124 176.117 -0.021 0.000 1.008 244 I CA -0.524 60.780 61.300 0.006 0.000 1.226 244 I CB 1.307 39.265 38.000 -0.070 0.000 1.371 244 I HN 0.003 nan 8.210 nan 0.000 0.468 245 V N 7.527 127.443 119.914 0.003 0.000 2.326 245 V HA 0.351 4.475 4.120 0.008 0.000 0.281 245 V C 0.235 176.343 176.094 0.023 0.000 1.015 245 V CA -0.621 61.682 62.300 0.006 0.000 0.823 245 V CB 1.703 33.534 31.823 0.012 0.000 1.009 245 V HN 0.447 nan 8.190 nan 0.000 0.436 246 L N 7.920 129.159 121.223 0.028 0.000 2.315 246 L HA 0.372 4.716 4.340 0.008 0.000 0.283 246 L C -1.623 175.312 176.870 0.108 0.000 1.089 246 L CA -1.381 53.508 54.840 0.081 0.000 0.833 246 L CB 0.899 42.999 42.059 0.067 0.000 1.170 246 L HN 0.434 nan 8.230 nan 0.000 0.442 247 P HA 0.075 nan 4.420 nan 0.000 0.271 247 P C -0.709 176.609 177.300 0.031 0.000 1.218 247 P CA -0.387 62.738 63.100 0.042 0.000 0.780 247 P CB 0.922 32.609 31.700 -0.021 0.000 0.901 248 E N 2.658 122.835 120.200 -0.039 0.000 2.289 248 E HA 0.274 4.628 4.350 0.008 0.000 0.278 248 E C 0.022 176.488 176.600 -0.224 0.000 1.032 248 E CA 0.079 56.450 56.400 -0.049 0.000 0.854 248 E CB 1.053 30.732 29.700 -0.035 0.000 1.046 248 E HN 0.391 nan 8.360 nan 0.000 0.409 249 K N 1.479 121.699 120.400 -0.299 0.000 2.527 249 K HA 0.114 4.439 4.320 0.008 0.000 0.260 249 K C -0.255 176.148 176.600 -0.328 0.000 0.937 249 K CA -0.541 55.407 56.287 -0.564 0.000 0.826 249 K CB 1.521 33.132 32.500 -1.482 0.000 1.359 249 K HN 0.302 nan 8.250 nan 0.000 0.434 250 D N -0.517 119.723 120.400 -0.266 0.000 2.346 250 D HA -0.049 4.596 4.640 0.008 0.000 0.206 250 D C 0.263 176.509 176.300 -0.090 0.000 1.001 250 D CA 0.276 54.209 54.000 -0.113 0.000 0.871 250 D CB 0.381 41.131 40.800 -0.083 0.000 0.943 250 D HN 0.313 nan 8.370 nan 0.000 0.518 251 S N -1.465 114.097 115.700 -0.230 0.000 2.543 251 S HA 0.591 5.066 4.470 0.008 0.000 0.271 251 S C -1.813 172.648 174.600 -0.233 0.000 1.148 251 S CA -1.075 57.068 58.200 -0.095 0.000 0.914 251 S CB 0.611 63.784 63.200 -0.044 0.000 1.096 251 S HN 0.146 nan 8.310 nan 0.000 0.471 252 W N 1.452 122.746 121.300 -0.010 0.000 2.706 252 W HA 0.739 5.404 4.660 0.008 0.000 0.346 252 W C 0.430 176.943 176.519 -0.010 0.000 1.071 252 W CA -0.402 56.936 57.345 -0.011 0.000 1.206 252 W CB 1.767 31.221 29.460 -0.011 0.000 1.413 252 W HN 0.910 nan 8.180 nan 0.000 0.542 253 T N -2.604 112.084 114.554 0.224 0.000 2.940 253 T HA 0.395 4.749 4.350 0.008 0.000 0.288 253 T C 0.659 175.429 174.700 0.117 0.000 1.045 253 T CA -0.687 61.488 62.100 0.125 0.000 1.018 253 T CB 1.296 70.205 68.868 0.068 0.000 1.151 253 T HN 0.224 nan 8.240 nan 0.000 0.529 254 V N 1.898 121.854 119.914 0.070 0.000 2.250 254 V HA -0.285 3.839 4.120 0.008 0.000 0.253 254 V C 2.809 178.934 176.094 0.052 0.000 1.065 254 V CA 2.729 65.058 62.300 0.048 0.000 1.039 254 V CB -1.231 30.609 31.823 0.029 0.000 0.647 254 V HN 1.037 nan 8.190 nan 0.000 0.446 255 N N -0.380 118.351 118.700 0.051 0.000 2.043 255 N HA -0.234 4.511 4.740 0.008 0.000 0.193 255 N C 1.602 177.158 175.510 0.076 0.000 1.037 255 N CA 1.751 54.829 53.050 0.046 0.000 0.851 255 N CB -0.142 38.364 38.487 0.032 0.000 1.027 255 N HN 0.530 nan 8.380 nan 0.000 0.422 256 D N 0.933 121.408 120.400 0.124 0.000 2.133 256 D HA -0.165 4.479 4.640 0.008 0.000 0.195 256 D C 2.048 178.490 176.300 0.237 0.000 0.997 256 D CA 0.971 55.102 54.000 0.219 0.000 0.840 256 D CB -0.263 40.737 40.800 0.332 0.000 0.947 256 D HN 0.479 nan 8.370 nan 0.000 0.452 257 I N 0.781 121.446 120.570 0.159 0.000 2.315 257 I HA -0.240 3.935 4.170 0.008 0.000 0.248 257 I C 2.482 178.601 176.117 0.003 0.000 1.117 257 I CA 0.896 62.208 61.300 0.019 0.000 1.404 257 I CB -0.290 37.691 38.000 -0.031 0.000 1.071 257 I HN -0.045 nan 8.210 nan 0.000 0.419 258 Q N 0.705 120.518 119.800 0.022 0.000 2.170 258 Q HA -0.232 4.113 4.340 0.008 0.000 0.203 258 Q C 2.156 178.164 176.000 0.014 0.000 0.976 258 Q CA 1.408 57.217 55.803 0.009 0.000 0.858 258 Q CB -0.036 28.708 28.738 0.010 0.000 0.907 258 Q HN 0.315 nan 8.270 nan 0.000 0.433 259 K N 0.501 120.922 120.400 0.035 0.000 2.057 259 K HA -0.135 4.190 4.320 0.008 0.000 0.206 259 K C 1.839 178.462 176.600 0.038 0.000 1.050 259 K CA 0.622 56.930 56.287 0.035 0.000 0.935 259 K CB -0.253 32.281 32.500 0.057 0.000 0.715 259 K HN 0.042 nan 8.250 nan 0.000 0.439 260 L N 0.254 121.508 121.223 0.051 0.000 2.012 260 L HA -0.161 4.184 4.340 0.008 0.000 0.210 260 L C 1.823 178.685 176.870 -0.015 0.000 1.073 260 L CA 1.603 56.453 54.840 0.016 0.000 0.748 260 L CB -0.464 41.552 42.059 -0.072 0.000 0.891 260 L HN -0.032 nan 8.230 nan 0.000 0.431 261 V N 0.064 119.963 119.914 -0.026 0.000 2.407 261 V HA -0.207 3.917 4.120 0.008 0.000 0.248 261 V C 2.586 178.691 176.094 0.017 0.000 1.055 261 V CA 1.672 63.962 62.300 -0.017 0.000 1.049 261 V CB -1.558 30.251 31.823 -0.024 0.000 0.662 261 V HN 0.656 nan 8.190 nan 0.000 0.455 262 G N -0.417 108.395 108.800 0.021 0.000 2.418 262 G HA2 -0.236 3.729 3.960 0.008 0.000 0.217 262 G HA3 -0.236 3.729 3.960 0.008 0.000 0.217 262 G C 1.685 176.631 174.900 0.077 0.000 1.158 262 G CA 0.747 45.868 45.100 0.036 0.000 0.771 262 G HN 0.454 nan 8.290 nan 0.000 0.545 263 K N -0.228 120.207 120.400 0.058 0.000 2.057 263 K HA 0.103 4.428 4.320 0.008 0.000 0.206 263 K C 2.522 179.186 176.600 0.106 0.000 1.050 263 K CA 0.653 56.994 56.287 0.090 0.000 0.935 263 K CB -0.241 32.288 32.500 0.048 0.000 0.715 263 K HN 0.270 nan 8.250 nan 0.000 0.439 264 L N 1.046 122.300 121.223 0.052 0.000 2.056 264 L HA -0.186 4.159 4.340 0.008 0.000 0.207 264 L C 1.969 178.880 176.870 0.068 0.000 1.078 264 L CA 0.870 55.727 54.840 0.028 0.000 0.749 264 L CB -0.503 41.550 42.059 -0.010 0.000 0.901 264 L HN 0.195 nan 8.230 nan 0.000 0.433 265 N N -0.439 118.318 118.700 0.096 0.000 2.120 265 N HA -0.242 4.502 4.740 0.008 0.000 0.188 265 N C 1.556 177.177 175.510 0.184 0.000 1.024 265 N CA 1.298 54.421 53.050 0.121 0.000 0.852 265 N CB -0.354 38.207 38.487 0.123 0.000 1.003 265 N HN 0.485 nan 8.380 nan 0.000 0.424 266 W N 1.840 123.153 121.300 0.023 0.000 2.363 266 W HA -0.097 4.567 4.660 0.007 0.000 0.296 266 W C 1.900 178.476 176.519 0.096 0.000 1.212 266 W CA 1.471 58.837 57.345 0.035 0.000 1.260 266 W CB -0.009 29.439 29.460 -0.020 0.000 1.131 266 W HN 0.049 nan 8.180 nan 0.000 0.530 267 A N 0.605 123.496 122.820 0.118 0.000 1.969 267 A HA -0.216 4.108 4.320 0.008 0.000 0.218 267 A C 1.978 179.630 177.584 0.113 0.000 1.169 267 A CA 2.105 54.189 52.037 0.078 0.000 0.635 267 A CB -1.249 17.738 19.000 -0.022 0.000 0.810 267 A HN 0.356 nan 8.150 nan 0.000 0.445 268 S N 0.744 116.481 115.700 0.062 0.000 2.465 268 S HA -0.272 4.202 4.470 0.008 0.000 0.241 268 S C 1.826 176.434 174.600 0.013 0.000 1.000 268 S CA 1.308 59.533 58.200 0.043 0.000 0.964 268 S CB -0.713 62.501 63.200 0.023 0.000 0.763 268 S HN 0.842 nan 8.310 nan 0.000 0.512 269 Q N -0.349 119.461 119.800 0.016 0.000 2.436 269 Q HA 0.153 4.498 4.340 0.008 0.000 0.209 269 Q C 1.583 177.672 176.000 0.147 0.000 0.965 269 Q CA 0.917 56.764 55.803 0.073 0.000 0.910 269 Q CB -0.214 28.590 28.738 0.111 0.000 0.980 269 Q HN 0.637 nan 8.270 nan 0.000 0.491 270 I N -1.691 118.911 120.570 0.053 0.000 4.922 270 I HA 0.196 4.371 4.170 0.008 0.000 0.331 270 I C -0.795 175.174 176.117 -0.246 0.000 1.260 270 I CA -0.559 60.662 61.300 -0.131 0.000 1.366 270 I CB 0.955 38.705 38.000 -0.417 0.000 1.386 270 I HN -0.025 nan 8.210 nan 0.000 0.483 271 Y N 5.290 125.532 120.300 -0.097 0.000 2.452 271 Y HA 0.412 4.966 4.550 0.007 0.000 0.348 271 Y C -2.031 173.828 175.900 -0.068 0.000 0.985 271 Y CA -2.480 55.570 58.100 -0.084 0.000 1.214 271 Y CB -0.029 38.390 38.460 -0.069 0.000 1.136 271 Y HN 0.083 nan 8.280 nan 0.000 0.523 272 P HA 0.106 nan 4.420 nan 0.000 0.271 272 P C 0.806 178.124 177.300 0.029 0.000 1.218 272 P CA 0.786 63.889 63.100 0.006 0.000 0.780 272 P CB 1.495 33.189 31.700 -0.011 0.000 0.901 273 G N 2.070 110.878 108.800 0.013 0.000 2.267 273 G HA2 -0.237 3.727 3.960 0.008 0.000 0.257 273 G HA3 -0.237 3.727 3.960 0.008 0.000 0.257 273 G C 0.450 175.356 174.900 0.010 0.000 0.998 273 G CA -0.213 44.895 45.100 0.013 0.000 0.620 273 G HN 0.514 nan 8.290 nan 0.000 0.529 274 I N 1.331 121.913 120.570 0.019 0.000 3.076 274 I HA 0.023 4.198 4.170 0.008 0.000 0.321 274 I C 0.807 176.922 176.117 -0.003 0.000 1.216 274 I CA 1.260 62.564 61.300 0.006 0.000 1.460 274 I CB -0.003 38.005 38.000 0.015 0.000 1.313 274 I HN 0.259 nan 8.210 nan 0.000 0.546 275 K N 5.205 125.595 120.400 -0.018 0.000 2.324 275 K HA 0.520 4.845 4.320 0.008 0.000 0.253 275 K C 0.216 176.795 176.600 -0.036 0.000 0.932 275 K CA -0.545 55.728 56.287 -0.024 0.000 0.799 275 K CB 2.767 35.247 32.500 -0.033 0.000 1.154 275 K HN 0.481 nan 8.250 nan 0.000 0.425 276 V N -0.456 119.438 119.914 -0.032 0.000 3.372 276 V HA 0.200 4.324 4.120 0.008 0.000 0.304 276 V C 1.386 177.453 176.094 -0.046 0.000 1.530 276 V CA -0.191 62.083 62.300 -0.043 0.000 1.080 276 V CB 0.346 32.152 31.823 -0.028 0.000 0.929 276 V HN 0.748 nan 8.190 nan 0.000 0.455 277 R N 0.571 121.045 120.500 -0.043 0.000 2.061 277 R HA -0.076 4.269 4.340 0.008 0.000 0.230 277 R C 2.135 178.404 176.300 -0.052 0.000 1.140 277 R CA 2.145 58.218 56.100 -0.044 0.000 0.940 277 R CB -0.154 30.122 30.300 -0.041 0.000 0.839 277 R HN 0.552 nan 8.270 nan 0.000 0.429 278 Q N 0.520 120.285 119.800 -0.058 0.000 2.291 278 Q HA -0.105 4.239 4.340 0.008 0.000 0.206 278 Q C 2.118 178.070 176.000 -0.080 0.000 0.976 278 Q CA 1.090 56.855 55.803 -0.064 0.000 0.875 278 Q CB -0.109 28.590 28.738 -0.066 0.000 0.927 278 Q HN 0.419 nan 8.270 nan 0.000 0.450 279 L N -0.673 120.494 121.223 -0.093 0.000 2.249 279 L HA 0.013 4.357 4.340 0.008 0.000 0.207 279 L C 2.194 179.010 176.870 -0.091 0.000 1.090 279 L CA 0.433 55.200 54.840 -0.121 0.000 0.802 279 L CB -0.082 41.884 42.059 -0.154 0.000 0.947 279 L HN 0.008 nan 8.230 nan 0.000 0.453 280 S N 0.425 116.084 115.700 -0.067 0.000 2.377 280 S HA -0.124 4.351 4.470 0.008 0.000 0.223 280 S C 1.881 176.456 174.600 -0.041 0.000 1.030 280 S CA 1.096 59.267 58.200 -0.049 0.000 0.970 280 S CB -0.086 63.091 63.200 -0.038 0.000 0.830 280 S HN 0.443 nan 8.310 nan 0.000 0.473 281 K N 1.774 122.148 120.400 -0.042 0.000 2.280 281 K HA 0.001 4.326 4.320 0.008 0.000 0.202 281 K C 1.648 178.228 176.600 -0.033 0.000 1.047 281 K CA 0.974 57.241 56.287 -0.034 0.000 0.942 281 K CB -0.533 31.946 32.500 -0.034 0.000 0.739 281 K HN 0.316 nan 8.250 nan 0.000 0.457 282 L N 1.122 122.320 121.223 -0.042 0.000 2.275 282 L HA -0.045 4.299 4.340 0.008 0.000 0.215 282 L C 1.674 178.529 176.870 -0.025 0.000 1.119 282 L CA 0.649 55.467 54.840 -0.037 0.000 0.790 282 L CB -0.294 41.733 42.059 -0.054 0.000 0.919 282 L HN 0.178 nan 8.230 nan 0.000 0.443 283 L N -0.153 121.055 121.223 -0.025 0.000 2.737 283 L HA 0.113 4.458 4.340 0.008 0.000 0.236 283 L C 0.585 177.448 176.870 -0.012 0.000 1.219 283 L CA -0.132 54.699 54.840 -0.015 0.000 1.021 283 L CB -0.423 41.626 42.059 -0.016 0.000 1.291 283 L HN 0.080 nan 8.230 nan 0.000 0.470 284 R N 1.446 121.938 120.500 -0.013 0.000 2.459 284 R HA 0.201 4.545 4.340 0.008 0.000 0.301 284 R C 0.989 177.286 176.300 -0.006 0.000 1.286 284 R CA 0.378 56.472 56.100 -0.010 0.000 1.046 284 R CB -0.078 30.215 30.300 -0.012 0.000 1.071 284 R HN 0.401 nan 8.270 nan 0.000 0.512 285 G N 1.966 110.764 108.800 -0.004 0.000 2.246 285 G HA2 -0.345 3.619 3.960 0.008 0.000 0.273 285 G HA3 -0.345 3.619 3.960 0.008 0.000 0.273 285 G C 0.858 175.759 174.900 0.001 0.000 1.055 285 G CA 0.722 45.822 45.100 -0.001 0.000 0.851 285 G HN 0.669 nan 8.290 nan 0.000 0.500 286 T N -2.319 112.236 114.554 0.001 0.000 2.755 286 T HA 0.130 4.484 4.350 0.008 0.000 0.251 286 T C 1.356 176.059 174.700 0.005 0.000 1.044 286 T CA 1.493 63.596 62.100 0.004 0.000 1.154 286 T CB -0.110 68.762 68.868 0.006 0.000 0.866 286 T HN 1.254 nan 8.240 nan 0.000 0.416 287 K N 1.417 121.820 120.400 0.005 0.000 3.278 287 K HA -0.148 4.177 4.320 0.008 0.000 0.270 287 K C -0.599 176.005 176.600 0.006 0.000 0.955 287 K CA 0.266 56.556 56.287 0.005 0.000 0.723 287 K CB -1.613 30.889 32.500 0.003 0.000 1.382 287 K HN 0.802 nan 8.250 nan 0.000 0.461 288 A N 2.015 124.840 122.820 0.008 0.000 2.684 288 A HA 0.364 4.689 4.320 0.008 0.000 0.289 288 A C 0.687 178.278 177.584 0.012 0.000 1.139 288 A CA -0.767 51.275 52.037 0.009 0.000 0.793 288 A CB 0.666 19.672 19.000 0.009 0.000 1.334 288 A HN 0.262 nan 8.150 nan 0.000 0.408 289 L N 1.032 122.261 121.223 0.010 0.000 2.081 289 L HA -0.219 4.126 4.340 0.008 0.000 0.212 289 L C 2.734 179.615 176.870 0.018 0.000 1.080 289 L CA 2.245 57.093 54.840 0.013 0.000 0.754 289 L CB -0.808 41.255 42.059 0.008 0.000 0.893 289 L HN 0.832 nan 8.230 nan 0.000 0.433 290 T N -3.052 111.509 114.554 0.013 0.000 2.985 290 T HA -0.140 4.215 4.350 0.008 0.000 0.266 290 T C 0.917 175.628 174.700 0.018 0.000 1.076 290 T CA -0.056 62.052 62.100 0.013 0.000 1.135 290 T CB -0.382 68.490 68.868 0.006 0.000 0.890 290 T HN 0.323 nan 8.240 nan 0.000 0.480 291 E N 2.366 122.578 120.200 0.019 0.000 2.562 291 E HA 0.102 4.456 4.350 0.008 0.000 0.241 291 E C -0.724 175.896 176.600 0.034 0.000 1.136 291 E CA -0.392 56.021 56.400 0.022 0.000 0.952 291 E CB 0.054 29.765 29.700 0.018 0.000 0.975 291 E HN 0.165 nan 8.360 nan 0.000 0.494 292 V N 7.110 127.045 119.914 0.035 0.000 2.529 292 V HA 0.062 4.187 4.120 0.008 0.000 0.292 292 V C 0.531 176.658 176.094 0.055 0.000 1.028 292 V CA 0.263 62.595 62.300 0.053 0.000 1.074 292 V CB 0.257 32.105 31.823 0.042 0.000 0.958 292 V HN 0.522 nan 8.190 nan 0.000 0.481 293 I N 7.265 127.880 120.570 0.075 0.000 2.404 293 I HA 0.441 4.616 4.170 0.008 0.000 0.293 293 I C -2.134 174.026 176.117 0.071 0.000 0.992 293 I CA -2.105 59.229 61.300 0.056 0.000 1.149 293 I CB 2.006 40.028 38.000 0.038 0.000 1.315 293 I HN 0.436 nan 8.210 nan 0.000 0.446 294 P HA 0.172 nan 4.420 nan 0.000 0.276 294 P C -0.879 176.439 177.300 0.031 0.000 1.230 294 P CA -0.436 62.696 63.100 0.053 0.000 0.776 294 P CB 1.333 33.053 31.700 0.034 0.000 0.888 295 L N 4.075 125.320 121.223 0.038 0.000 2.325 295 L HA 0.169 4.513 4.340 0.008 0.000 0.284 295 L C 1.222 178.081 176.870 -0.017 0.000 1.089 295 L CA 0.432 55.261 54.840 -0.018 0.000 0.836 295 L CB -0.006 42.031 42.059 -0.037 0.000 1.184 295 L HN 0.487 nan 8.230 nan 0.000 0.444 296 T N -0.552 113.983 114.554 -0.032 0.000 2.937 296 T HA -0.022 4.332 4.350 0.008 0.000 0.316 296 T C 1.092 175.775 174.700 -0.029 0.000 1.079 296 T CA -0.257 61.828 62.100 -0.026 0.000 1.131 296 T CB 0.479 69.328 68.868 -0.031 0.000 1.000 296 T HN 0.723 nan 8.240 nan 0.000 0.549 297 E N 0.517 120.705 120.200 -0.019 0.000 2.265 297 E HA -0.191 4.163 4.350 0.008 0.000 0.196 297 E C 1.697 178.280 176.600 -0.028 0.000 0.996 297 E CA 0.923 57.312 56.400 -0.018 0.000 0.832 297 E CB 0.066 29.759 29.700 -0.012 0.000 0.756 297 E HN 0.680 nan 8.360 nan 0.000 0.491 298 E N 0.040 120.220 120.200 -0.033 0.000 2.106 298 E HA -0.144 4.211 4.350 0.008 0.000 0.192 298 E C 1.908 178.476 176.600 -0.053 0.000 0.984 298 E CA 1.044 57.420 56.400 -0.039 0.000 0.806 298 E CB -0.189 29.488 29.700 -0.039 0.000 0.750 298 E HN 0.367 nan 8.360 nan 0.000 0.458 299 A N 1.037 123.818 122.820 -0.066 0.000 1.930 299 A HA -0.127 4.198 4.320 0.008 0.000 0.215 299 A C 2.064 179.585 177.584 -0.105 0.000 1.176 299 A CA 1.302 53.281 52.037 -0.097 0.000 0.632 299 A CB -0.279 18.648 19.000 -0.121 0.000 0.819 299 A HN 0.090 nan 8.150 nan 0.000 0.445 300 E N -0.604 119.550 120.200 -0.077 0.000 2.204 300 E HA -0.137 4.218 4.350 0.008 0.000 0.195 300 E C 1.711 178.285 176.600 -0.045 0.000 0.990 300 E CA 0.818 57.184 56.400 -0.056 0.000 0.821 300 E CB -0.182 29.506 29.700 -0.020 0.000 0.750 300 E HN 0.483 nan 8.360 nan 0.000 0.477 301 L N 0.544 121.741 121.223 -0.044 0.000 2.095 301 L HA -0.003 4.341 4.340 0.008 0.000 0.204 301 L C 2.042 178.885 176.870 -0.045 0.000 1.080 301 L CA 1.806 56.624 54.840 -0.036 0.000 0.759 301 L CB -0.460 41.580 42.059 -0.032 0.000 0.914 301 L HN 0.117 nan 8.230 nan 0.000 0.439 302 E N -0.751 119.413 120.200 -0.059 0.000 2.051 302 E HA -0.264 4.090 4.350 0.008 0.000 0.192 302 E C 2.163 178.720 176.600 -0.072 0.000 0.991 302 E CA 1.494 57.855 56.400 -0.065 0.000 0.799 302 E CB -0.209 29.445 29.700 -0.076 0.000 0.748 302 E HN 0.397 nan 8.360 nan 0.000 0.449 303 L N 0.791 121.958 121.223 -0.093 0.000 2.046 303 L HA -0.098 4.247 4.340 0.008 0.000 0.208 303 L C 2.174 179.012 176.870 -0.053 0.000 1.077 303 L CA 2.222 57.003 54.840 -0.099 0.000 0.747 303 L CB -0.847 41.123 42.059 -0.148 0.000 0.896 303 L HN 0.139 nan 8.230 nan 0.000 0.432 304 A N -0.859 121.939 122.820 -0.037 0.000 1.933 304 A HA -0.213 4.112 4.320 0.008 0.000 0.218 304 A C 2.172 179.744 177.584 -0.021 0.000 1.175 304 A CA 1.728 53.754 52.037 -0.018 0.000 0.628 304 A CB -0.592 18.401 19.000 -0.011 0.000 0.814 304 A HN 0.612 nan 8.150 nan 0.000 0.444 305 E N -0.122 120.062 120.200 -0.028 0.000 2.106 305 E HA -0.156 4.199 4.350 0.008 0.000 0.192 305 E C 1.652 178.236 176.600 -0.027 0.000 0.984 305 E CA 1.051 57.437 56.400 -0.025 0.000 0.806 305 E CB -0.142 29.541 29.700 -0.027 0.000 0.750 305 E HN 0.545 nan 8.360 nan 0.000 0.458 306 N N 0.713 119.389 118.700 -0.039 0.000 2.216 306 N HA -0.074 4.670 4.740 0.008 0.000 0.183 306 N C 1.652 177.129 175.510 -0.055 0.000 1.017 306 N CA 0.760 53.781 53.050 -0.049 0.000 0.861 306 N CB -0.114 38.335 38.487 -0.063 0.000 0.986 306 N HN 0.112 nan 8.380 nan 0.000 0.428 307 R N 0.690 121.165 120.500 -0.040 0.000 2.096 307 R HA -0.109 4.236 4.340 0.008 0.000 0.235 307 R C 1.896 178.179 176.300 -0.028 0.000 1.127 307 R CA 0.971 57.051 56.100 -0.033 0.000 0.968 307 R CB -0.073 30.221 30.300 -0.009 0.000 0.861 307 R HN 0.181 nan 8.270 nan 0.000 0.440 308 E N 1.323 121.512 120.200 -0.018 0.000 2.031 308 E HA -0.143 4.212 4.350 0.008 0.000 0.193 308 E C 1.725 178.326 176.600 0.001 0.000 0.994 308 E CA 1.366 57.762 56.400 -0.007 0.000 0.800 308 E CB -0.197 29.500 29.700 -0.006 0.000 0.752 308 E HN 0.261 nan 8.360 nan 0.000 0.447 309 I N 0.201 120.772 120.570 0.001 0.000 2.335 309 I HA -0.234 3.941 4.170 0.008 0.000 0.251 309 I C 1.773 177.921 176.117 0.050 0.000 1.129 309 I CA 0.869 62.193 61.300 0.039 0.000 1.402 309 I CB -0.142 37.881 38.000 0.037 0.000 1.069 309 I HN 0.133 nan 8.210 nan 0.000 0.424 310 L N 0.493 121.666 121.223 -0.082 0.000 2.612 310 L HA -0.003 4.342 4.340 0.008 0.000 0.230 310 L C 2.250 179.080 176.870 -0.067 0.000 1.140 310 L CA 0.121 54.827 54.840 -0.224 0.000 0.896 310 L CB -0.439 41.434 42.059 -0.311 0.000 1.065 310 L HN 0.202 nan 8.230 nan 0.000 0.447 311 K N 1.920 122.319 120.400 -0.001 0.000 2.059 311 K HA -0.171 4.154 4.320 0.008 0.000 0.212 311 K C 0.433 177.055 176.600 0.036 0.000 1.050 311 K CA 1.462 57.757 56.287 0.014 0.000 0.927 311 K CB 0.234 32.743 32.500 0.016 0.000 0.714 311 K HN 0.520 nan 8.250 nan 0.000 0.447 312 E N 0.010 120.255 120.200 0.076 0.000 2.369 312 E HA 0.386 4.741 4.350 0.008 0.000 0.270 312 E C -2.726 173.955 176.600 0.135 0.000 0.909 312 E CA -2.788 53.658 56.400 0.077 0.000 0.775 312 E CB 1.465 31.190 29.700 0.040 0.000 1.270 312 E HN -0.109 nan 8.360 nan 0.000 0.445 313 P HA 0.039 nan 4.420 nan 0.000 0.266 313 P C -1.044 176.152 177.300 -0.173 0.000 1.195 313 P CA -0.103 62.998 63.100 0.002 0.000 0.768 313 P CB 0.557 32.246 31.700 -0.018 0.000 0.838 314 V N 3.694 123.312 119.914 -0.495 0.000 2.638 314 V HA 0.348 4.473 4.120 0.008 0.000 0.306 314 V C -0.435 175.178 176.094 -0.802 0.000 1.052 314 V CA -0.563 61.359 62.300 -0.630 0.000 0.885 314 V CB 1.729 32.990 31.823 -0.936 0.000 0.999 314 V HN 0.589 nan 8.190 nan 0.000 0.424 315 H N 1.167 119.963 119.070 -0.457 0.000 2.621 315 H HA 0.793 5.353 4.556 0.008 0.000 0.360 315 H C 0.390 175.333 175.328 -0.642 0.000 1.163 315 H CA 0.022 55.737 56.048 -0.556 0.000 1.194 315 H CB 2.002 31.508 29.762 -0.426 0.000 1.649 315 H HN 0.906 nan 8.280 nan 0.000 0.532 316 G N 0.256 108.513 108.800 -0.904 0.000 2.441 316 G HA2 0.519 4.484 3.960 0.008 0.000 0.334 316 G HA3 0.519 4.484 3.960 0.008 0.000 0.334 316 G C -0.402 174.230 174.900 -0.447 0.000 1.161 316 G CA -0.616 44.057 45.100 -0.711 0.000 0.935 316 G HN 0.601 nan 8.290 nan 0.000 0.488 317 V N -1.317 118.557 119.914 -0.068 0.000 3.234 317 V HA 0.657 4.782 4.120 0.008 0.000 0.317 317 V C -0.323 175.903 176.094 0.219 0.000 1.081 317 V CA -1.361 60.933 62.300 -0.011 0.000 1.037 317 V CB 0.823 32.669 31.823 0.038 0.000 1.148 317 V HN 0.640 nan 8.190 nan 0.000 0.453 318 Y N -0.581 119.906 120.300 0.312 0.000 2.392 318 Y HA 0.450 5.005 4.550 0.008 0.000 0.323 318 Y C -0.084 176.000 175.900 0.306 0.000 1.291 318 Y CA -0.531 57.759 58.100 0.317 0.000 1.345 318 Y CB 0.989 39.578 38.460 0.216 0.000 1.320 318 Y HN 0.732 nan 8.280 nan 0.000 0.518 319 Y N 2.102 122.633 120.300 0.384 0.000 2.377 319 Y HA 0.121 4.676 4.550 0.008 0.000 0.330 319 Y C -0.483 175.499 175.900 0.137 0.000 1.108 319 Y CA -1.118 57.127 58.100 0.242 0.000 1.308 319 Y CB 0.490 39.168 38.460 0.364 0.000 1.216 319 Y HN 0.451 nan 8.280 nan 0.000 0.518 320 D N 8.311 128.453 120.400 -0.430 0.000 2.460 320 D HA 0.327 4.972 4.640 0.008 0.000 0.232 320 D C -2.262 173.515 176.300 -0.872 0.000 1.079 320 D CA -2.663 51.058 54.000 -0.465 0.000 0.864 320 D CB 1.845 42.524 40.800 -0.201 0.000 1.048 320 D HN 0.306 nan 8.370 nan 0.000 0.523 321 P HA -0.151 nan 4.420 nan 0.000 0.218 321 P C 1.136 178.260 177.300 -0.294 0.000 1.146 321 P CA 1.058 63.779 63.100 -0.631 0.000 0.813 321 P CB 0.176 31.721 31.700 -0.258 0.000 0.778 322 S N -2.534 113.022 115.700 -0.240 0.000 2.607 322 S HA 0.057 4.532 4.470 0.008 0.000 0.224 322 S C 0.676 175.204 174.600 -0.120 0.000 0.969 322 S CA 0.239 58.356 58.200 -0.137 0.000 0.927 322 S CB -0.588 62.550 63.200 -0.102 0.000 0.772 322 S HN 0.099 nan 8.310 nan 0.000 0.533 323 K N 0.733 121.040 120.400 -0.155 0.000 2.340 323 K HA 0.445 4.769 4.320 0.008 0.000 0.244 323 K C -1.176 175.366 176.600 -0.097 0.000 0.973 323 K CA -0.878 55.343 56.287 -0.111 0.000 0.828 323 K CB 1.054 33.492 32.500 -0.103 0.000 1.226 323 K HN 0.045 nan 8.250 nan 0.000 0.437 324 D N 0.639 120.982 120.400 -0.095 0.000 2.368 324 D HA 0.150 4.795 4.640 0.008 0.000 0.240 324 D C -1.186 175.005 176.300 -0.181 0.000 1.169 324 D CA -0.200 53.729 54.000 -0.118 0.000 0.906 324 D CB 0.598 41.325 40.800 -0.122 0.000 1.187 324 D HN 0.077 nan 8.370 nan 0.000 0.435 325 L N 2.994 124.067 121.223 -0.251 0.000 2.322 325 L HA 0.536 4.880 4.340 0.008 0.000 0.281 325 L C -1.004 175.579 176.870 -0.478 0.000 1.014 325 L CA -0.431 54.162 54.840 -0.412 0.000 0.815 325 L CB 1.304 43.063 42.059 -0.500 0.000 1.247 325 L HN 0.441 nan 8.230 nan 0.000 0.421 326 I N 3.788 123.973 120.570 -0.642 0.000 2.509 326 I HA 0.714 4.888 4.170 0.008 0.000 0.293 326 I C -0.423 175.231 176.117 -0.771 0.000 1.020 326 I CA -0.674 60.179 61.300 -0.745 0.000 1.088 326 I CB 2.048 39.472 38.000 -0.960 0.000 1.267 326 I HN 0.698 nan 8.210 nan 0.000 0.430 327 A N 5.201 127.648 122.820 -0.620 0.000 2.335 327 A HA 0.625 4.950 4.320 0.008 0.000 0.304 327 A C -0.819 176.669 177.584 -0.160 0.000 1.118 327 A CA -0.464 51.317 52.037 -0.428 0.000 0.757 327 A CB 1.136 19.707 19.000 -0.715 0.000 1.188 327 A HN 0.753 nan 8.150 nan 0.000 0.460 328 E N 2.282 122.508 120.200 0.045 0.000 2.183 328 E HA 0.691 5.046 4.350 0.008 0.000 0.271 328 E C -1.247 175.479 176.600 0.210 0.000 0.919 328 E CA -0.456 56.030 56.400 0.144 0.000 0.781 328 E CB 1.256 31.074 29.700 0.196 0.000 1.140 328 E HN 0.653 nan 8.360 nan 0.000 0.402 329 I N 2.901 123.593 120.570 0.203 0.000 2.569 329 I HA 0.317 4.492 4.170 0.008 0.000 0.296 329 I C -0.808 175.449 176.117 0.232 0.000 1.028 329 I CA -0.898 60.552 61.300 0.250 0.000 1.082 329 I CB 2.045 40.170 38.000 0.208 0.000 1.264 329 I HN 0.453 nan 8.210 nan 0.000 0.429 330 Q N 3.739 123.692 119.800 0.255 0.000 2.397 330 Q HA 0.436 4.781 4.340 0.008 0.000 0.275 330 Q C -0.936 175.130 176.000 0.110 0.000 1.090 330 Q CA -0.893 55.006 55.803 0.161 0.000 0.809 330 Q CB 2.585 31.372 28.738 0.082 0.000 1.362 330 Q HN 0.355 nan 8.270 nan 0.000 0.431 331 K N 1.261 121.590 120.400 -0.118 0.000 2.234 331 K HA 0.200 4.525 4.320 0.008 0.000 0.282 331 K C -0.112 176.256 176.600 -0.388 0.000 1.039 331 K CA 0.172 56.079 56.287 -0.633 0.000 0.928 331 K CB 0.693 32.749 32.500 -0.739 0.000 1.039 331 K HN 0.661 nan 8.250 nan 0.000 0.470 332 Q N 2.031 121.572 119.800 -0.431 0.000 2.350 332 Q HA 0.196 4.540 4.340 0.008 0.000 0.225 332 Q C 0.064 175.930 176.000 -0.224 0.000 0.878 332 Q CA 0.195 55.859 55.803 -0.232 0.000 0.935 332 Q CB 1.147 29.799 28.738 -0.144 0.000 1.099 332 Q HN 0.992 nan 8.270 nan 0.000 0.527 333 G N 0.971 109.580 108.800 -0.318 0.000 2.587 333 G HA2 -0.172 3.792 3.960 0.008 0.000 0.686 333 G HA3 -0.172 3.792 3.960 0.008 0.000 0.686 333 G C -0.811 173.990 174.900 -0.166 0.000 1.236 333 G CA -0.642 44.329 45.100 -0.216 0.000 0.820 333 G HN 0.183 nan 8.290 nan 0.000 0.645 334 Q N -1.685 118.048 119.800 -0.112 0.000 2.468 334 Q HA 0.021 4.366 4.340 0.008 0.000 0.289 334 Q C 1.896 177.868 176.000 -0.045 0.000 1.299 334 Q CA 2.862 58.624 55.803 -0.068 0.000 0.838 334 Q CB -1.638 27.064 28.738 -0.060 0.000 1.195 334 Q HN 2.827 nan 8.270 nan 0.000 0.456 335 G N -1.374 107.406 108.800 -0.033 0.000 2.153 335 G HA2 -0.367 3.597 3.960 0.008 0.000 0.252 335 G HA3 -0.367 3.597 3.960 0.008 0.000 0.252 335 G C -0.066 174.904 174.900 0.116 0.000 0.994 335 G CA 0.522 45.679 45.100 0.094 0.000 0.698 335 G HN 0.445 nan 8.290 nan 0.000 0.521 336 Q N -1.431 118.315 119.800 -0.090 0.000 2.245 336 Q HA 0.667 5.012 4.340 0.008 0.000 0.256 336 Q C -0.697 175.189 176.000 -0.191 0.000 0.942 336 Q CA -0.661 55.132 55.803 -0.015 0.000 0.896 336 Q CB 1.283 29.993 28.738 -0.047 0.000 1.272 336 Q HN 0.376 nan 8.270 nan 0.000 0.442 337 W N 0.208 121.572 121.300 0.107 0.000 3.032 337 W HA 0.538 5.203 4.660 0.007 0.000 0.335 337 W C -0.333 176.290 176.519 0.172 0.000 1.154 337 W CA -0.567 56.868 57.345 0.150 0.000 1.204 337 W CB 2.088 31.675 29.460 0.213 0.000 1.416 337 W HN 0.371 nan 8.180 nan 0.000 0.521 338 T N 1.636 116.402 114.554 0.355 0.000 2.907 338 T HA 0.751 5.106 4.350 0.008 0.000 0.292 338 T C -1.639 173.254 174.700 0.321 0.000 1.043 338 T CA -0.428 61.816 62.100 0.240 0.000 1.003 338 T CB 0.888 69.818 68.868 0.102 0.000 1.084 338 T HN 0.357 nan 8.240 nan 0.000 0.483 339 Y N 0.762 121.152 120.300 0.149 0.000 2.597 339 Y HA 0.829 5.384 4.550 0.007 0.000 0.340 339 Y C -1.526 174.441 175.900 0.112 0.000 1.097 339 Y CA -1.292 56.886 58.100 0.131 0.000 1.037 339 Y CB 1.219 39.759 38.460 0.132 0.000 1.305 339 Y HN 0.462 nan 8.280 nan 0.000 0.463 340 Q N 2.155 122.133 119.800 0.296 0.000 2.372 340 Q HA 0.692 5.036 4.340 0.008 0.000 0.273 340 Q C -1.564 174.593 176.000 0.261 0.000 1.078 340 Q CA -0.578 55.359 55.803 0.224 0.000 0.806 340 Q CB 3.257 32.108 28.738 0.188 0.000 1.332 340 Q HN 0.762 nan 8.270 nan 0.000 0.435 341 I N 3.245 123.943 120.570 0.213 0.000 2.418 341 I HA 0.570 4.745 4.170 0.008 0.000 0.287 341 I C -1.111 175.023 176.117 0.027 0.000 1.008 341 I CA -0.969 60.337 61.300 0.010 0.000 1.104 341 I CB 0.772 38.790 38.000 0.030 0.000 1.264 341 I HN 0.671 nan 8.210 nan 0.000 0.438 342 Y N 3.136 123.349 120.300 -0.145 0.000 2.689 342 Y HA 0.538 5.092 4.550 0.007 0.000 0.333 342 Y C -0.152 175.647 175.900 -0.169 0.000 1.190 342 Y CA -0.860 57.163 58.100 -0.128 0.000 1.063 342 Y CB 1.115 39.509 38.460 -0.109 0.000 1.294 342 Y HN 0.424 nan 8.280 nan 0.000 0.466 343 Q N -0.595 119.244 119.800 0.065 0.000 2.471 343 Q HA 0.254 4.598 4.340 0.008 0.000 0.259 343 Q C -0.673 175.384 176.000 0.095 0.000 0.850 343 Q CA 0.075 55.861 55.803 -0.029 0.000 0.981 343 Q CB 1.186 29.896 28.738 -0.047 0.000 1.180 343 Q HN 0.558 nan 8.270 nan 0.000 0.571 344 E N 1.455 121.744 120.200 0.148 0.000 2.199 344 E HA 0.367 4.722 4.350 0.008 0.000 0.269 344 E C -2.588 173.994 176.600 -0.030 0.000 0.899 344 E CA -2.399 54.041 56.400 0.067 0.000 0.772 344 E CB 1.553 31.266 29.700 0.021 0.000 1.155 344 E HN -0.082 nan 8.360 nan 0.000 0.408 345 P HA -0.028 nan 4.420 nan 0.000 0.264 345 P C -0.313 176.636 177.300 -0.585 0.000 1.183 345 P CA 0.499 63.164 63.100 -0.725 0.000 0.763 345 P CB -0.009 31.285 31.700 -0.677 0.000 0.807 346 F N -0.169 119.545 119.950 -0.392 0.000 2.871 346 F HA -0.269 4.262 4.527 0.007 0.000 0.326 346 F C 0.530 176.225 175.800 -0.175 0.000 0.675 346 F CA 0.760 58.610 58.000 -0.250 0.000 1.188 346 F CB -1.750 37.147 39.000 -0.172 0.000 1.567 346 F HN 0.345 nan 8.300 nan 0.000 0.325 347 K N 1.183 121.548 120.400 -0.058 0.000 2.606 347 K HA 0.250 4.575 4.320 0.008 0.000 0.196 347 K C -0.276 176.344 176.600 0.033 0.000 1.048 347 K CA -0.606 55.678 56.287 -0.005 0.000 1.017 347 K CB 0.478 32.986 32.500 0.014 0.000 1.413 347 K HN -0.007 nan 8.250 nan 0.000 0.568 348 N N 1.784 120.497 118.700 0.021 0.000 2.454 348 N HA -0.010 4.735 4.740 0.008 0.000 0.254 348 N C 0.860 176.447 175.510 0.128 0.000 1.228 348 N CA -0.028 53.079 53.050 0.095 0.000 0.900 348 N CB 0.823 39.340 38.487 0.050 0.000 1.089 348 N HN 0.238 nan 8.380 nan 0.000 0.449 349 L N 1.375 122.730 121.223 0.219 0.000 2.202 349 L HA 0.091 4.435 4.340 0.008 0.000 0.205 349 L C 0.977 178.167 176.870 0.533 0.000 1.083 349 L CA 1.440 56.507 54.840 0.378 0.000 0.790 349 L CB -0.298 41.982 42.059 0.368 0.000 0.942 349 L HN 0.722 nan 8.230 nan 0.000 0.452 350 K N -2.525 118.110 120.400 0.392 0.000 2.658 350 K HA 0.513 4.838 4.320 0.008 0.000 0.293 350 K C -0.982 175.734 176.600 0.193 0.000 1.026 350 K CA -0.455 56.063 56.287 0.385 0.000 0.871 350 K CB 1.384 34.137 32.500 0.422 0.000 1.524 350 K HN -0.130 nan 8.250 nan 0.000 0.400 351 T N -2.299 112.301 114.554 0.076 0.000 2.742 351 T HA 0.919 5.274 4.350 0.008 0.000 0.282 351 T C 0.135 174.597 174.700 -0.397 0.000 1.025 351 T CA -0.371 61.652 62.100 -0.129 0.000 1.020 351 T CB 1.748 70.553 68.868 -0.105 0.000 1.317 351 T HN 1.132 nan 8.240 nan 0.000 0.538 352 G N -0.172 108.113 108.800 -0.859 0.000 2.349 352 G HA2 0.594 4.559 3.960 0.008 0.000 0.294 352 G HA3 0.594 4.559 3.960 0.008 0.000 0.294 352 G C -2.131 172.361 174.900 -0.680 0.000 1.380 352 G CA -0.867 43.688 45.100 -0.909 0.000 0.811 352 G HN 1.006 nan 8.290 nan 0.000 0.519 353 K N -1.656 118.688 120.400 -0.093 0.000 2.509 353 K HA 0.781 5.106 4.320 0.008 0.000 0.266 353 K C -2.121 174.732 176.600 0.422 0.000 0.987 353 K CA -1.152 55.249 56.287 0.191 0.000 0.868 353 K CB 2.840 35.402 32.500 0.104 0.000 1.421 353 K HN 0.702 nan 8.250 nan 0.000 0.444 354 Y N 0.315 120.786 120.300 0.286 0.000 2.433 354 Y HA 0.602 5.156 4.550 0.007 0.000 0.337 354 Y C -1.856 174.193 175.900 0.247 0.000 1.026 354 Y CA -0.511 57.727 58.100 0.230 0.000 1.037 354 Y CB 2.306 40.865 38.460 0.165 0.000 1.245 354 Y HN 0.948 nan 8.280 nan 0.000 0.443 355 A N 6.532 128.998 122.820 -0.590 0.000 2.337 355 A HA 0.698 5.022 4.320 0.008 0.000 0.329 355 A C -0.712 176.468 177.584 -0.672 0.000 1.146 355 A CA -1.051 50.765 52.037 -0.368 0.000 0.800 355 A CB 0.820 19.704 19.000 -0.193 0.000 1.220 355 A HN 0.909 nan 8.150 nan 0.000 0.472 356 R N 2.206 122.583 120.500 -0.205 0.000 2.734 356 R HA 0.341 4.686 4.340 0.008 0.000 0.266 356 R C -0.282 175.956 176.300 -0.103 0.000 1.044 356 R CA -0.063 55.990 56.100 -0.078 0.000 1.128 356 R CB 0.131 30.495 30.300 0.107 0.000 1.010 356 R HN 0.644 nan 8.270 nan 0.000 0.461 357 M N 1.581 121.173 119.600 -0.013 0.000 2.198 357 M HA 0.148 4.633 4.480 0.008 0.000 0.315 357 M C 0.834 177.141 176.300 0.011 0.000 1.134 357 M CA -0.136 55.167 55.300 0.006 0.000 1.171 357 M CB 0.695 33.331 32.600 0.060 0.000 1.413 357 M HN 0.588 nan 8.290 nan 0.000 0.467 358 R N 0.707 121.211 120.500 0.006 0.000 2.590 358 R HA 0.468 4.812 4.340 0.008 0.000 0.274 358 R C -0.492 175.813 176.300 0.010 0.000 1.061 358 R CA 0.386 56.488 56.100 0.003 0.000 1.081 358 R CB 0.248 30.549 30.300 0.001 0.000 0.984 358 R HN 0.873 nan 8.270 nan 0.000 0.448 359 G N 0.817 109.613 108.800 -0.007 0.000 2.377 359 G HA2 0.345 4.309 3.960 0.008 0.000 0.297 359 G HA3 0.345 4.309 3.960 0.008 0.000 0.297 359 G C -0.392 174.455 174.900 -0.090 0.000 1.547 359 G CA -0.177 44.910 45.100 -0.022 0.000 0.833 359 G HN 0.673 nan 8.290 nan 0.000 0.583 360 A N 0.032 122.734 122.820 -0.195 0.000 1.855 360 A HA 0.291 4.616 4.320 0.008 0.000 0.215 360 A C 0.964 178.171 177.584 -0.629 0.000 1.191 360 A CA 1.373 53.124 52.037 -0.477 0.000 0.613 360 A CB -0.436 18.138 19.000 -0.710 0.000 0.829 360 A HN 0.763 nan 8.150 nan 0.000 0.442 361 H N -2.256 116.855 119.070 0.069 0.000 2.747 361 H HA 0.654 5.215 4.556 0.008 0.000 0.371 361 H C -0.804 174.581 175.328 0.094 0.000 1.161 361 H CA 0.069 56.161 56.048 0.074 0.000 1.167 361 H CB 1.492 31.299 29.762 0.076 0.000 1.732 361 H HN 0.231 nan 8.280 nan 0.000 0.544 362 T N 0.999 115.674 114.554 0.202 0.000 2.731 362 T HA 0.383 4.738 4.350 0.008 0.000 0.300 362 T C -1.527 173.253 174.700 0.134 0.000 1.283 362 T CA -0.877 61.316 62.100 0.156 0.000 1.005 362 T CB 1.837 70.776 68.868 0.118 0.000 1.420 362 T HN 0.925 nan 8.240 nan 0.000 0.503 363 N N 0.178 118.932 118.700 0.090 0.000 2.484 363 N HA 0.363 5.108 4.740 0.008 0.000 0.269 363 N C -0.168 175.353 175.510 0.018 0.000 1.237 363 N CA -0.578 52.500 53.050 0.046 0.000 0.838 363 N CB 0.904 39.393 38.487 0.003 0.000 1.593 363 N HN 0.392 nan 8.380 nan 0.000 0.485 364 D N 0.429 120.878 120.400 0.082 0.000 2.149 364 D HA -0.093 4.551 4.640 0.008 0.000 0.198 364 D C 1.566 177.851 176.300 -0.024 0.000 0.990 364 D CA 1.212 55.331 54.000 0.198 0.000 0.839 364 D CB 0.017 40.986 40.800 0.282 0.000 0.948 364 D HN 0.401 nan 8.370 nan 0.000 0.460 365 V N 0.840 120.569 119.914 -0.308 0.000 2.427 365 V HA -0.207 3.917 4.120 0.008 0.000 0.248 365 V C 2.269 178.035 176.094 -0.546 0.000 1.051 365 V CA 1.436 63.392 62.300 -0.573 0.000 1.048 365 V CB -0.321 30.785 31.823 -1.195 0.000 0.666 365 V HN 0.178 nan 8.190 nan 0.000 0.456 366 K N -0.255 119.867 120.400 -0.462 0.000 2.097 366 K HA -0.180 4.144 4.320 0.008 0.000 0.205 366 K C 2.301 178.763 176.600 -0.229 0.000 1.050 366 K CA 1.379 57.522 56.287 -0.240 0.000 0.938 366 K CB -0.191 32.266 32.500 -0.073 0.000 0.718 366 K HN 0.515 nan 8.250 nan 0.000 0.442 367 Q N 0.537 120.204 119.800 -0.223 0.000 2.079 367 Q HA -0.152 4.193 4.340 0.008 0.000 0.200 367 Q C 2.144 177.657 176.000 -0.812 0.000 0.974 367 Q CA 0.995 56.616 55.803 -0.304 0.000 0.840 367 Q CB -0.120 28.604 28.738 -0.024 0.000 0.898 367 Q HN 0.154 nan 8.270 nan 0.000 0.430 368 L N 0.487 121.130 121.223 -0.966 0.000 2.042 368 L HA -0.176 4.168 4.340 0.008 0.000 0.210 368 L C 2.058 178.447 176.870 -0.801 0.000 1.076 368 L CA 1.988 56.177 54.840 -1.086 0.000 0.749 368 L CB -0.847 40.770 42.059 -0.737 0.000 0.893 368 L HN 0.130 nan 8.230 nan 0.000 0.432 369 T N -0.553 113.640 114.554 -0.602 0.000 2.746 369 T HA -0.180 4.175 4.350 0.008 0.000 0.267 369 T C 1.681 176.086 174.700 -0.492 0.000 1.039 369 T CA 1.743 63.545 62.100 -0.497 0.000 1.142 369 T CB -0.208 68.522 68.868 -0.229 0.000 0.866 369 T HN 0.465 nan 8.240 nan 0.000 0.444 370 E N 1.155 121.072 120.200 -0.471 0.000 2.077 370 E HA -0.042 4.313 4.350 0.008 0.000 0.193 370 E C 2.533 178.614 176.600 -0.865 0.000 0.989 370 E CA 0.983 57.080 56.400 -0.505 0.000 0.800 370 E CB -0.246 29.263 29.700 -0.318 0.000 0.746 370 E HN 0.473 nan 8.360 nan 0.000 0.452 371 A N 0.862 123.015 122.820 -1.112 0.000 1.902 371 A HA -0.155 4.169 4.320 0.008 0.000 0.217 371 A C 2.498 179.669 177.584 -0.688 0.000 1.181 371 A CA 1.187 52.577 52.037 -1.077 0.000 0.623 371 A CB -0.682 17.828 19.000 -0.817 0.000 0.818 371 A HN 0.130 nan 8.150 nan 0.000 0.443 372 V N 0.195 119.692 119.914 -0.696 0.000 2.343 372 V HA -0.266 3.859 4.120 0.008 0.000 0.247 372 V C 2.767 178.558 176.094 -0.505 0.000 1.051 372 V CA 2.098 63.946 62.300 -0.752 0.000 1.036 372 V CB -0.713 30.478 31.823 -1.054 0.000 0.654 372 V HN 0.568 nan 8.190 nan 0.000 0.451 373 Q N 0.093 119.635 119.800 -0.430 0.000 2.084 373 Q HA -0.222 4.123 4.340 0.008 0.000 0.202 373 Q C 2.221 178.101 176.000 -0.199 0.000 0.978 373 Q CA 1.681 57.330 55.803 -0.257 0.000 0.844 373 Q CB -0.549 28.070 28.738 -0.199 0.000 0.898 373 Q HN 0.639 nan 8.270 nan 0.000 0.426 374 K N 0.754 120.990 120.400 -0.274 0.000 2.026 374 K HA -0.102 4.222 4.320 0.008 0.000 0.208 374 K C 2.127 178.634 176.600 -0.155 0.000 1.048 374 K CA 0.929 57.103 56.287 -0.188 0.000 0.929 374 K CB -0.119 32.249 32.500 -0.219 0.000 0.713 374 K HN 0.137 nan 8.250 nan 0.000 0.439 375 I N 0.909 121.340 120.570 -0.231 0.000 2.226 375 I HA -0.245 3.929 4.170 0.008 0.000 0.245 375 I C 2.204 178.304 176.117 -0.027 0.000 1.100 375 I CA 1.340 62.513 61.300 -0.213 0.000 1.374 375 I CB -0.361 37.461 38.000 -0.297 0.000 1.057 375 I HN 0.222 nan 8.210 nan 0.000 0.413 376 T N 0.022 114.607 114.554 0.051 0.000 2.720 376 T HA -0.187 4.167 4.350 0.008 0.000 0.268 376 T C 1.901 176.619 174.700 0.029 0.000 1.037 376 T CA 2.156 64.309 62.100 0.089 0.000 1.144 376 T CB -0.354 68.558 68.868 0.074 0.000 0.864 376 T HN 0.380 nan 8.240 nan 0.000 0.444 377 T N 1.446 115.995 114.554 -0.008 0.000 2.777 377 T HA -0.073 4.281 4.350 0.008 0.000 0.266 377 T C 1.941 176.625 174.700 -0.027 0.000 1.040 377 T CA 1.297 63.390 62.100 -0.012 0.000 1.141 377 T CB -0.226 68.631 68.868 -0.018 0.000 0.868 377 T HN 0.585 nan 8.240 nan 0.000 0.444 378 E N 1.047 121.224 120.200 -0.038 0.000 2.077 378 E HA -0.146 4.209 4.350 0.008 0.000 0.193 378 E C 2.168 178.700 176.600 -0.114 0.000 0.989 378 E CA 1.341 57.697 56.400 -0.075 0.000 0.800 378 E CB -0.121 29.548 29.700 -0.051 0.000 0.746 378 E HN 0.338 nan 8.360 nan 0.000 0.452 379 S N 0.530 116.233 115.700 0.006 0.000 2.383 379 S HA -0.097 4.378 4.470 0.008 0.000 0.227 379 S C 1.945 176.590 174.600 0.076 0.000 1.026 379 S CA 1.053 59.351 58.200 0.164 0.000 0.981 379 S CB -0.195 63.149 63.200 0.241 0.000 0.818 379 S HN 0.306 nan 8.310 nan 0.000 0.472 380 I N 0.992 121.576 120.570 0.023 0.000 2.226 380 I HA -0.145 4.029 4.170 0.008 0.000 0.245 380 I C 2.163 178.249 176.117 -0.053 0.000 1.100 380 I CA 0.806 62.110 61.300 0.007 0.000 1.374 380 I CB -0.423 37.584 38.000 0.013 0.000 1.057 380 I HN 0.142 nan 8.210 nan 0.000 0.413 381 V N 1.196 121.053 119.914 -0.096 0.000 2.261 381 V HA -0.289 3.835 4.120 0.008 0.000 0.246 381 V C 2.249 178.198 176.094 -0.242 0.000 1.047 381 V CA 2.061 64.282 62.300 -0.133 0.000 1.015 381 V CB -0.367 31.380 31.823 -0.127 0.000 0.642 381 V HN 0.328 nan 8.190 nan 0.000 0.446 382 I N -1.853 118.449 120.570 -0.446 0.000 2.333 382 I HA -0.159 4.016 4.170 0.008 0.000 0.246 382 I C 1.994 177.607 176.117 -0.840 0.000 1.106 382 I CA 1.431 62.246 61.300 -0.809 0.000 1.411 382 I CB -0.196 36.903 38.000 -1.502 0.000 1.082 382 I HN 0.406 nan 8.210 nan 0.000 0.420 383 W N -0.038 121.104 121.300 -0.264 0.000 2.871 383 W HA 0.381 5.045 4.660 0.007 0.000 0.340 383 W C 1.409 177.812 176.519 -0.193 0.000 1.058 383 W CA 0.555 57.669 57.345 -0.385 0.000 1.633 383 W CB -0.122 28.964 29.460 -0.623 0.000 1.067 383 W HN 0.278 nan 8.180 nan 0.000 0.554 384 G N 2.577 111.403 108.800 0.043 0.000 2.143 384 G HA2 -0.305 3.660 3.960 0.008 0.000 0.248 384 G HA3 -0.305 3.660 3.960 0.008 0.000 0.248 384 G C 0.149 175.090 174.900 0.069 0.000 0.991 384 G CA 1.013 46.142 45.100 0.047 0.000 0.689 384 G HN 0.359 nan 8.290 nan 0.000 0.522 385 K N -1.635 118.819 120.400 0.089 0.000 2.579 385 K HA 0.661 4.986 4.320 0.008 0.000 0.284 385 K C -0.837 175.795 176.600 0.054 0.000 0.990 385 K CA -0.857 55.469 56.287 0.065 0.000 0.880 385 K CB 0.802 33.337 32.500 0.059 0.000 1.488 385 K HN 0.016 nan 8.250 nan 0.000 0.425 386 T N 3.394 117.967 114.554 0.030 0.000 2.817 386 T HA 0.347 4.702 4.350 0.008 0.000 0.293 386 T C -2.180 172.462 174.700 -0.098 0.000 0.964 386 T CA -0.994 61.113 62.100 0.012 0.000 1.085 386 T CB 0.903 69.817 68.868 0.077 0.000 0.921 386 T HN 0.456 nan 8.240 nan 0.000 0.502 387 P HA 0.323 nan 4.420 nan 0.000 0.278 387 P C -0.773 176.238 177.300 -0.482 0.000 1.258 387 P CA -0.787 62.047 63.100 -0.443 0.000 0.811 387 P CB 1.057 32.371 31.700 -0.643 0.000 1.063 388 K N 1.061 121.226 120.400 -0.391 0.000 2.249 388 K HA 0.368 4.693 4.320 0.008 0.000 0.280 388 K C -0.285 176.112 176.600 -0.339 0.000 1.033 388 K CA -0.180 55.969 56.287 -0.230 0.000 0.946 388 K CB 0.267 32.672 32.500 -0.158 0.000 1.005 388 K HN 0.329 nan 8.250 nan 0.000 0.469 389 F N 1.690 121.595 119.950 -0.076 0.000 2.397 389 F HA 0.326 4.857 4.527 0.008 0.000 0.331 389 F C 0.511 176.327 175.800 0.026 0.000 1.090 389 F CA -0.591 57.372 58.000 -0.062 0.000 1.065 389 F CB 1.279 40.214 39.000 -0.108 0.000 1.184 389 F HN 0.142 nan 8.300 nan 0.000 0.499 390 K N 4.272 124.795 120.400 0.205 0.000 2.507 390 K HA 0.568 4.893 4.320 0.008 0.000 0.253 390 K C -1.388 175.322 176.600 0.183 0.000 0.969 390 K CA -0.366 56.024 56.287 0.172 0.000 0.908 390 K CB 1.397 33.947 32.500 0.085 0.000 1.127 390 K HN 0.492 nan 8.250 nan 0.000 0.437 391 L N 3.948 125.314 121.223 0.239 0.000 2.342 391 L HA 0.496 4.841 4.340 0.008 0.000 0.271 391 L C -2.029 174.976 176.870 0.226 0.000 1.008 391 L CA -2.227 52.690 54.840 0.128 0.000 0.818 391 L CB 2.013 43.965 42.059 -0.179 0.000 1.296 391 L HN 0.397 nan 8.230 nan 0.000 0.427 392 P HA 0.206 nan 4.420 nan 0.000 0.218 392 P C -0.640 176.865 177.300 0.342 0.000 1.793 392 P CA 0.354 63.612 63.100 0.264 0.000 0.941 392 P CB 0.266 32.072 31.700 0.177 0.000 1.919 393 I N -0.206 120.627 120.570 0.438 0.000 2.644 393 I HA 0.221 4.395 4.170 0.008 0.000 0.291 393 I C -0.574 175.668 176.117 0.209 0.000 1.180 393 I CA -0.870 60.561 61.300 0.219 0.000 1.040 393 I CB 2.570 40.566 38.000 -0.008 0.000 1.255 393 I HN -0.165 nan 8.210 nan 0.000 0.422 394 Q N 6.105 125.780 119.800 -0.208 0.000 2.364 394 Q HA 0.120 4.465 4.340 0.008 0.000 0.267 394 Q C 0.657 176.699 176.000 0.071 0.000 0.999 394 Q CA -0.153 55.359 55.803 -0.484 0.000 0.886 394 Q CB 1.121 29.570 28.738 -0.481 0.000 1.243 394 Q HN 0.565 nan 8.270 nan 0.000 0.415 395 K N 2.118 122.559 120.400 0.068 0.000 2.113 395 K HA -0.222 4.103 4.320 0.008 0.000 0.208 395 K C 1.579 178.324 176.600 0.243 0.000 1.047 395 K CA 1.331 57.749 56.287 0.218 0.000 0.928 395 K CB 0.141 32.628 32.500 -0.022 0.000 0.716 395 K HN 0.663 nan 8.250 nan 0.000 0.446 396 E N 0.090 120.340 120.200 0.084 0.000 2.106 396 E HA -0.112 4.242 4.350 0.008 0.000 0.192 396 E C 1.546 178.196 176.600 0.083 0.000 0.984 396 E CA 1.196 57.632 56.400 0.060 0.000 0.806 396 E CB 0.202 29.894 29.700 -0.013 0.000 0.750 396 E HN 0.188 nan 8.360 nan 0.000 0.458 397 T N 0.829 115.433 114.554 0.084 0.000 2.708 397 T HA -0.184 4.170 4.350 0.008 0.000 0.266 397 T C 1.247 176.080 174.700 0.223 0.000 1.037 397 T CA 1.188 63.343 62.100 0.090 0.000 1.146 397 T CB -0.487 68.401 68.868 0.034 0.000 0.865 397 T HN 0.454 nan 8.240 nan 0.000 0.435 398 W N 2.149 123.549 121.300 0.167 0.000 2.338 398 W HA -0.181 4.483 4.660 0.007 0.000 0.304 398 W C 2.175 178.945 176.519 0.418 0.000 1.212 398 W CA 1.682 59.201 57.345 0.290 0.000 1.264 398 W CB -0.181 29.513 29.460 0.390 0.000 1.142 398 W HN 0.389 nan 8.180 nan 0.000 0.512 399 E N -0.190 120.167 120.200 0.261 0.000 2.077 399 E HA -0.213 4.141 4.350 0.008 0.000 0.193 399 E C 2.054 178.451 176.600 -0.340 0.000 0.989 399 E CA 2.496 58.868 56.400 -0.047 0.000 0.800 399 E CB -0.399 29.336 29.700 0.059 0.000 0.746 399 E HN 0.015 nan 8.360 nan 0.000 0.452 400 T N 0.915 115.387 114.554 -0.136 0.000 2.746 400 T HA -0.197 4.158 4.350 0.008 0.000 0.267 400 T C 1.199 175.801 174.700 -0.164 0.000 1.039 400 T CA 1.285 63.295 62.100 -0.150 0.000 1.142 400 T CB -0.493 68.348 68.868 -0.045 0.000 0.866 400 T HN 0.450 nan 8.240 nan 0.000 0.444 401 W N 1.820 122.956 121.300 -0.273 0.000 2.332 401 W HA -0.153 4.511 4.660 0.006 0.000 0.321 401 W C 2.337 178.666 176.519 -0.318 0.000 1.219 401 W CA 1.546 58.724 57.345 -0.278 0.000 1.277 401 W CB -0.614 28.688 29.460 -0.264 0.000 1.161 401 W HN 0.500 nan 8.180 nan 0.000 0.476 402 W N 2.668 123.594 121.300 -0.623 0.000 2.402 402 W HA -0.134 4.531 4.660 0.008 0.000 0.286 402 W C 1.939 178.221 176.519 -0.394 0.000 1.221 402 W CA 2.104 59.048 57.345 -0.669 0.000 1.257 402 W CB -1.545 27.456 29.460 -0.766 0.000 1.120 402 W HN -0.040 nan 8.180 nan 0.000 0.551 403 T N -1.299 112.593 114.554 -1.104 0.000 2.995 403 T HA -0.119 4.235 4.350 0.008 0.000 0.269 403 T C 1.383 175.808 174.700 -0.459 0.000 1.091 403 T CA 1.312 62.836 62.100 -0.960 0.000 1.128 403 T CB -0.266 68.015 68.868 -0.979 0.000 0.891 403 T HN 0.006 nan 8.240 nan 0.000 0.492 404 E N -0.247 119.714 120.200 -0.398 0.000 2.431 404 E HA 0.195 4.550 4.350 0.008 0.000 0.200 404 E C -0.137 176.328 176.600 -0.225 0.000 0.995 404 E CA -0.212 56.034 56.400 -0.257 0.000 0.915 404 E CB -0.089 29.491 29.700 -0.201 0.000 0.930 404 E HN 0.585 nan 8.360 nan 0.000 0.496 405 Y N 2.454 122.408 120.300 -0.578 0.000 2.425 405 Y HA -0.093 4.461 4.550 0.007 0.000 0.331 405 Y C 1.364 177.072 175.900 -0.321 0.000 1.157 405 Y CA -0.820 56.895 58.100 -0.643 0.000 1.372 405 Y CB 0.396 38.150 38.460 -1.178 0.000 1.253 405 Y HN 0.108 nan 8.280 nan 0.000 0.536 406 W N 4.053 124.943 121.300 -0.684 0.000 2.525 406 W HA 0.022 4.686 4.660 0.007 0.000 0.259 406 W C -0.689 175.540 176.519 -0.483 0.000 1.253 406 W CA 0.168 57.218 57.345 -0.492 0.000 1.262 406 W CB -0.318 28.903 29.460 -0.398 0.000 1.122 406 W HN 0.501 nan 8.180 nan 0.000 0.607 407 Q N 0.770 119.613 119.800 -1.595 0.000 2.214 407 Q HA 0.541 4.885 4.340 0.008 0.000 0.251 407 Q C -0.161 175.577 176.000 -0.436 0.000 0.936 407 Q CA -0.574 54.543 55.803 -1.144 0.000 0.894 407 Q CB 2.068 30.028 28.738 -1.298 0.000 1.252 407 Q HN -0.020 nan 8.270 nan 0.000 0.448 408 A N 1.377 124.054 122.820 -0.238 0.000 2.425 408 A HA 0.439 4.764 4.320 0.008 0.000 0.249 408 A C -0.068 177.531 177.584 0.026 0.000 1.084 408 A CA 0.280 52.284 52.037 -0.056 0.000 0.781 408 A CB 0.784 19.755 19.000 -0.049 0.000 1.019 408 A HN 0.581 nan 8.150 nan 0.000 0.490 409 T N 2.182 116.815 114.554 0.131 0.000 2.853 409 T HA 0.610 4.964 4.350 0.008 0.000 0.311 409 T C -1.853 173.051 174.700 0.341 0.000 1.307 409 T CA -0.412 61.832 62.100 0.240 0.000 1.019 409 T CB 1.089 70.165 68.868 0.345 0.000 1.264 409 T HN 1.147 nan 8.240 nan 0.000 0.497 410 W N 5.012 126.392 121.300 0.132 0.000 3.419 410 W HA 0.609 5.273 4.660 0.008 0.000 0.298 410 W C -2.801 173.703 176.519 -0.025 0.000 1.260 410 W CA -0.950 56.443 57.345 0.080 0.000 1.199 410 W CB 0.990 30.422 29.460 -0.048 0.000 1.349 410 W HN 0.693 nan 8.180 nan 0.000 0.557 411 I N 6.540 126.525 120.570 -0.975 0.000 2.533 411 I HA 0.297 4.471 4.170 0.008 0.000 0.290 411 I C -1.762 173.388 176.117 -1.612 0.000 1.056 411 I CA -2.187 58.374 61.300 -1.231 0.000 1.057 411 I CB 2.906 40.015 38.000 -1.485 0.000 1.240 411 I HN 0.079 nan 8.210 nan 0.000 0.423 412 P HA 0.029 nan 4.420 nan 0.000 0.275 412 P C -0.485 176.689 177.300 -0.209 0.000 1.266 412 P CA -0.363 62.426 63.100 -0.518 0.000 0.793 412 P CB 0.464 32.150 31.700 -0.024 0.000 1.074 413 E N 0.891 121.086 120.200 -0.010 0.000 3.131 413 E HA -0.098 4.257 4.350 0.008 0.000 0.258 413 E C -0.622 176.077 176.600 0.165 0.000 0.901 413 E CA 0.457 56.883 56.400 0.044 0.000 0.964 413 E CB -0.055 29.674 29.700 0.049 0.000 0.903 413 E HN 0.353 nan 8.360 nan 0.000 0.537 414 W N 3.033 124.255 121.300 -0.130 0.000 2.988 414 W HA 0.607 5.272 4.660 0.008 0.000 0.355 414 W C -1.380 175.105 176.519 -0.058 0.000 1.233 414 W CA -0.932 56.360 57.345 -0.088 0.000 1.176 414 W CB 0.676 30.019 29.460 -0.196 0.000 1.477 414 W HN 0.398 nan 8.180 nan 0.000 0.582 415 E N 0.918 121.191 120.200 0.122 0.000 2.356 415 E HA 0.332 4.686 4.350 0.008 0.000 0.275 415 E C -1.676 175.093 176.600 0.281 0.000 0.904 415 E CA -1.006 55.350 56.400 -0.073 0.000 0.757 415 E CB 3.204 32.877 29.700 -0.045 0.000 1.232 415 E HN 0.247 nan 8.360 nan 0.000 0.442 416 F N 2.733 122.702 119.950 0.031 0.000 2.495 416 F HA 0.300 4.832 4.527 0.008 0.000 0.365 416 F C -0.693 175.179 175.800 0.120 0.000 1.090 416 F CA -0.342 57.780 58.000 0.204 0.000 1.235 416 F CB 0.765 39.843 39.000 0.129 0.000 1.119 416 F HN 0.142 nan 8.300 nan 0.000 0.562 417 V N 7.527 127.154 119.914 -0.478 0.000 2.483 417 V HA 0.320 4.445 4.120 0.008 0.000 0.297 417 V C -0.602 174.958 176.094 -0.889 0.000 1.027 417 V CA -0.818 61.158 62.300 -0.539 0.000 0.855 417 V CB 1.260 32.985 31.823 -0.163 0.000 0.995 417 V HN 0.822 nan 8.190 nan 0.000 0.424 418 N N 4.888 123.041 118.700 -0.911 0.000 3.050 418 N HA 0.157 4.901 4.740 0.008 0.000 0.289 418 N C -0.194 175.202 175.510 -0.189 0.000 1.209 418 N CA 0.293 52.998 53.050 -0.576 0.000 1.154 418 N CB 0.026 38.327 38.487 -0.309 0.000 1.444 418 N HN 0.884 nan 8.380 nan 0.000 0.529 419 T N 0.065 114.551 114.554 -0.113 0.000 2.963 419 T HA 0.458 4.813 4.350 0.008 0.000 0.328 419 T C -2.707 172.003 174.700 0.017 0.000 1.048 419 T CA -1.919 60.162 62.100 -0.032 0.000 1.033 419 T CB 1.601 70.452 68.868 -0.029 0.000 1.010 419 T HN 0.027 nan 8.240 nan 0.000 0.469 420 P HA 0.173 nan 4.420 nan 0.000 0.267 420 P C -2.109 175.204 177.300 0.021 0.000 1.195 420 P CA -0.683 62.442 63.100 0.042 0.000 0.773 420 P CB -0.076 31.647 31.700 0.039 0.000 0.837 421 P HA 0.201 nan 4.420 nan 0.000 0.286 421 P C -0.756 176.580 177.300 0.061 0.000 1.269 421 P CA -0.037 63.084 63.100 0.036 0.000 0.787 421 P CB 0.755 32.466 31.700 0.018 0.000 0.920 422 L N 2.503 123.781 121.223 0.091 0.000 2.395 422 L HA 0.296 4.641 4.340 0.008 0.000 0.269 422 L C 0.573 177.499 176.870 0.094 0.000 1.133 422 L CA -1.138 53.779 54.840 0.128 0.000 0.812 422 L CB 0.871 43.027 42.059 0.161 0.000 1.125 422 L HN 0.142 nan 8.230 nan 0.000 0.452 423 V N 2.847 122.828 119.914 0.112 0.000 2.530 423 V HA 0.257 4.381 4.120 0.008 0.000 0.282 423 V C 0.220 176.305 176.094 -0.015 0.000 1.048 423 V CA -0.290 62.067 62.300 0.094 0.000 0.997 423 V CB 0.939 32.837 31.823 0.125 0.000 0.987 423 V HN 0.840 nan 8.190 nan 0.000 0.477 424 K N 4.619 124.960 120.400 -0.099 0.000 2.469 424 K HA 0.745 5.070 4.320 0.008 0.000 0.268 424 K C -1.552 174.862 176.600 -0.310 0.000 1.027 424 K CA -1.095 55.033 56.287 -0.265 0.000 0.893 424 K CB 1.978 34.193 32.500 -0.475 0.000 1.460 424 K HN 0.341 nan 8.250 nan 0.000 0.449 425 L N 1.683 122.730 121.223 -0.293 0.000 2.275 425 L HA 0.294 4.638 4.340 0.008 0.000 0.288 425 L C -0.066 176.625 176.870 -0.297 0.000 1.046 425 L CA -0.654 54.070 54.840 -0.193 0.000 0.805 425 L CB 0.602 42.610 42.059 -0.085 0.000 1.193 425 L HN 0.722 nan 8.230 nan 0.000 0.426 426 W N 2.667 123.905 121.300 -0.104 0.000 2.737 426 W HA 0.036 4.701 4.660 0.008 0.000 0.262 426 W C 0.046 176.631 176.519 0.109 0.000 1.282 426 W CA -0.033 57.318 57.345 0.009 0.000 1.386 426 W CB 0.123 29.632 29.460 0.081 0.000 1.099 426 W HN 0.468 nan 8.180 nan 0.000 0.621 427 Y N -1.952 118.478 120.300 0.216 0.000 2.677 427 Y HA 0.570 5.127 4.550 0.012 0.000 0.334 427 Y C -1.084 174.886 175.900 0.116 0.000 1.196 427 Y CA -2.500 55.687 58.100 0.144 0.000 1.059 427 Y CB 0.687 39.232 38.460 0.143 0.000 1.315 427 Y HN -0.138 nan 8.280 nan 0.000 0.455 428 Q N 2.519 122.495 119.800 0.294 0.000 2.309 428 Q HA 0.520 4.865 4.340 0.008 0.000 0.254 428 Q C -2.026 174.100 176.000 0.210 0.000 0.938 428 Q CA -0.563 55.354 55.803 0.191 0.000 0.789 428 Q CB 1.593 30.380 28.738 0.083 0.000 1.313 428 Q HN 0.883 nan 8.270 nan 0.000 0.438 429 L N 2.532 123.891 121.223 0.228 0.000 2.467 429 L HA 0.231 4.575 4.340 0.008 0.000 0.270 429 L C 0.673 177.627 176.870 0.140 0.000 1.205 429 L CA -0.402 54.538 54.840 0.165 0.000 0.828 429 L CB 0.363 42.504 42.059 0.137 0.000 1.101 429 L HN 0.601 nan 8.230 nan 0.000 0.479 430 E N 1.735 122.034 120.200 0.165 0.000 2.390 430 E HA 0.056 4.410 4.350 0.008 0.000 0.261 430 E C 0.265 177.007 176.600 0.236 0.000 1.076 430 E CA -0.012 56.490 56.400 0.170 0.000 0.905 430 E CB 0.911 30.715 29.700 0.173 0.000 0.984 430 E HN 0.425 nan 8.360 nan 0.000 0.427 431 K N 0.716 121.196 120.400 0.133 0.000 2.352 431 K HA 0.085 4.409 4.320 0.008 0.000 0.194 431 K C 0.159 176.804 176.600 0.076 0.000 1.038 431 K CA 0.388 56.755 56.287 0.133 0.000 1.023 431 K CB 0.594 33.124 32.500 0.050 0.000 0.840 431 K HN 0.313 nan 8.250 nan 0.000 0.519 432 E N 0.600 120.721 120.200 -0.131 0.000 2.343 432 E HA 0.292 4.647 4.350 0.008 0.000 0.270 432 E C -2.763 173.322 176.600 -0.859 0.000 0.895 432 E CA -2.493 53.640 56.400 -0.446 0.000 0.767 432 E CB 1.752 31.316 29.700 -0.226 0.000 1.248 432 E HN -0.141 nan 8.360 nan 0.000 0.440 433 P HA 0.146 nan 4.420 nan 0.000 0.266 433 P C -0.070 177.042 177.300 -0.313 0.000 1.195 433 P CA 0.128 62.749 63.100 -0.798 0.000 0.768 433 P CB 0.526 31.951 31.700 -0.459 0.000 0.838 434 I N 2.424 122.906 120.570 -0.147 0.000 2.352 434 I HA 0.102 4.276 4.170 0.008 0.000 0.290 434 I C 0.636 176.727 176.117 -0.042 0.000 1.036 434 I CA -0.809 60.452 61.300 -0.065 0.000 1.336 434 I CB 0.887 38.882 38.000 -0.009 0.000 1.407 434 I HN 0.035 nan 8.210 nan 0.000 0.497 435 V N 6.535 126.424 119.914 -0.042 0.000 2.637 435 V HA 0.306 4.430 4.120 0.008 0.000 0.296 435 V C 1.244 177.332 176.094 -0.010 0.000 1.046 435 V CA 1.087 63.371 62.300 -0.026 0.000 1.066 435 V CB 0.566 32.373 31.823 -0.027 0.000 0.968 435 V HN 1.153 nan 8.190 nan 0.000 0.483 436 G N 3.839 112.638 108.800 -0.001 0.000 2.268 436 G HA2 -0.157 3.807 3.960 0.008 0.000 0.240 436 G HA3 -0.157 3.807 3.960 0.008 0.000 0.240 436 G C 0.453 175.363 174.900 0.017 0.000 1.010 436 G CA 0.183 45.287 45.100 0.007 0.000 0.618 436 G HN 1.502 nan 8.290 nan 0.000 0.516 437 A N 0.516 123.348 122.820 0.021 0.000 2.331 437 A HA 0.651 4.976 4.320 0.008 0.000 0.283 437 A C 0.420 178.041 177.584 0.061 0.000 1.142 437 A CA 0.565 52.627 52.037 0.041 0.000 0.812 437 A CB 0.476 19.500 19.000 0.039 0.000 1.074 437 A HN 0.653 nan 8.150 nan 0.000 0.497 438 E N 1.239 121.496 120.200 0.094 0.000 2.442 438 E HA 0.134 4.488 4.350 0.008 0.000 0.262 438 E C -0.582 176.113 176.600 0.157 0.000 1.004 438 E CA 0.393 56.854 56.400 0.102 0.000 0.928 438 E CB 0.402 30.191 29.700 0.148 0.000 0.937 438 E HN 0.554 nan 8.360 nan 0.000 0.446 439 T N 5.028 119.616 114.554 0.057 0.000 2.756 439 T HA 0.310 4.665 4.350 0.008 0.000 0.290 439 T C -0.941 173.737 174.700 -0.036 0.000 0.985 439 T CA -0.372 61.746 62.100 0.029 0.000 0.955 439 T CB 0.006 68.852 68.868 -0.038 0.000 0.930 439 T HN 0.222 nan 8.240 nan 0.000 0.451 440 F N 2.950 122.786 119.950 -0.190 0.000 2.404 440 F HA 0.427 4.954 4.527 -0.001 0.000 0.354 440 F C -0.149 175.548 175.800 -0.172 0.000 1.122 440 F CA -1.296 56.620 58.000 -0.140 0.000 1.080 440 F CB 0.686 39.544 39.000 -0.237 0.000 1.131 440 F HN 0.509 nan 8.300 nan 0.000 0.471 441 Y N 3.190 123.574 120.300 0.139 0.000 2.353 441 Y HA 0.517 5.070 4.550 0.006 0.000 0.340 441 Y C 0.175 176.165 175.900 0.149 0.000 0.972 441 Y CA -0.977 57.181 58.100 0.098 0.000 1.157 441 Y CB 1.185 39.669 38.460 0.040 0.000 1.157 441 Y HN 0.414 nan 8.280 nan 0.000 0.495 442 V N -0.080 119.973 119.914 0.231 0.000 2.881 442 V HA 0.884 5.008 4.120 0.008 0.000 0.316 442 V C -1.011 175.165 176.094 0.136 0.000 1.070 442 V CA -0.522 61.907 62.300 0.214 0.000 0.976 442 V CB 2.212 34.146 31.823 0.185 0.000 1.038 442 V HN 0.664 nan 8.190 nan 0.000 0.446 443 D N -0.070 120.401 120.400 0.119 0.000 2.728 443 D HA 0.719 5.363 4.640 0.008 0.000 0.249 443 D C -0.528 175.812 176.300 0.067 0.000 1.225 443 D CA 0.616 54.660 54.000 0.072 0.000 0.748 443 D CB 1.941 42.766 40.800 0.042 0.000 1.326 443 D HN 1.233 nan 8.370 nan 0.000 0.426 444 G N -0.442 108.391 108.800 0.055 0.000 2.690 444 G HA2 0.932 4.897 3.960 0.008 0.000 0.291 444 G HA3 0.932 4.897 3.960 0.008 0.000 0.291 444 G C -1.632 173.293 174.900 0.041 0.000 1.403 444 G CA -0.150 44.981 45.100 0.051 0.000 0.864 444 G HN 0.798 nan 8.290 nan 0.000 0.480 445 A N -1.096 121.746 122.820 0.036 0.000 2.605 445 A HA 1.016 5.340 4.320 0.008 0.000 0.294 445 A C -0.776 176.824 177.584 0.027 0.000 1.062 445 A CA 0.119 52.176 52.037 0.034 0.000 0.682 445 A CB 1.269 20.293 19.000 0.040 0.000 1.278 445 A HN 2.481 nan 8.150 nan 0.000 0.410 446 A N 1.093 123.927 122.820 0.023 0.000 2.515 446 A HA 0.752 5.077 4.320 0.008 0.000 0.298 446 A C -0.852 176.740 177.584 0.014 0.000 1.059 446 A CA -0.627 51.419 52.037 0.016 0.000 0.698 446 A CB 1.248 20.255 19.000 0.011 0.000 1.289 446 A HN 0.924 nan 8.150 nan 0.000 0.404 447 N N 1.263 119.970 118.700 0.011 0.000 2.422 447 N HA 0.072 4.817 4.740 0.008 0.000 0.264 447 N C 0.918 176.431 175.510 0.006 0.000 1.063 447 N CA -0.239 52.816 53.050 0.009 0.000 0.959 447 N CB 1.086 39.577 38.487 0.008 0.000 1.087 447 N HN 0.797 nan 8.380 nan 0.000 0.483 448 R N 2.909 123.412 120.500 0.005 0.000 2.120 448 R HA -0.107 4.238 4.340 0.008 0.000 0.234 448 R C 0.721 177.022 176.300 0.001 0.000 1.123 448 R CA 1.337 57.438 56.100 0.001 0.000 0.975 448 R CB 0.315 30.616 30.300 0.001 0.000 0.866 448 R HN 0.618 nan 8.270 nan 0.000 0.446 449 E N -0.499 119.702 120.200 0.002 0.000 2.030 449 E HA -0.081 4.273 4.350 0.008 0.000 0.189 449 E C 2.034 178.635 176.600 0.002 0.000 0.974 449 E CA 1.852 58.254 56.400 0.002 0.000 0.807 449 E CB -0.520 29.181 29.700 0.002 0.000 0.771 449 E HN 0.465 nan 8.360 nan 0.000 0.451 450 T N -1.024 113.532 114.554 0.003 0.000 2.995 450 T HA -0.005 4.350 4.350 0.008 0.000 0.269 450 T C 0.925 175.627 174.700 0.004 0.000 1.091 450 T CA 0.848 62.950 62.100 0.004 0.000 1.128 450 T CB -0.023 68.848 68.868 0.004 0.000 0.891 450 T HN 0.134 nan 8.240 nan 0.000 0.492 451 K N 0.191 120.594 120.400 0.004 0.000 3.446 451 K HA -0.114 4.211 4.320 0.008 0.000 0.312 451 K C -0.431 176.173 176.600 0.007 0.000 1.329 451 K CA 0.430 56.719 56.287 0.005 0.000 0.935 451 K CB -2.164 30.338 32.500 0.004 0.000 1.281 451 K HN 0.483 nan 8.250 nan 0.000 0.457 452 L N 0.396 121.623 121.223 0.008 0.000 2.334 452 L HA 0.570 4.914 4.340 0.008 0.000 0.277 452 L C 1.016 177.893 176.870 0.011 0.000 1.075 452 L CA -0.133 54.713 54.840 0.009 0.000 0.804 452 L CB 1.486 43.550 42.059 0.008 0.000 1.174 452 L HN 0.210 nan 8.230 nan 0.000 0.438 453 G N 1.764 110.572 108.800 0.014 0.000 2.749 453 G HA2 0.665 4.630 3.960 0.008 0.000 0.300 453 G HA3 0.665 4.630 3.960 0.008 0.000 0.300 453 G C -1.710 173.200 174.900 0.017 0.000 1.352 453 G CA -0.557 44.553 45.100 0.017 0.000 0.789 453 G HN 0.451 nan 8.290 nan 0.000 0.509 454 K N -1.108 119.304 120.400 0.020 0.000 2.527 454 K HA 0.704 5.028 4.320 0.008 0.000 0.260 454 K C -1.128 175.487 176.600 0.025 0.000 0.937 454 K CA -0.654 55.643 56.287 0.016 0.000 0.826 454 K CB 2.723 35.228 32.500 0.007 0.000 1.359 454 K HN 0.862 nan 8.250 nan 0.000 0.434 455 A N 0.852 123.687 122.820 0.025 0.000 2.475 455 A HA 0.965 5.289 4.320 0.008 0.000 0.301 455 A C -0.701 176.895 177.584 0.020 0.000 1.059 455 A CA -0.293 51.771 52.037 0.044 0.000 0.710 455 A CB 2.001 21.043 19.000 0.070 0.000 1.288 455 A HN 0.803 nan 8.150 nan 0.000 0.408 456 G N -0.638 108.187 108.800 0.042 0.000 2.340 456 G HA2 0.667 4.632 3.960 0.008 0.000 0.299 456 G HA3 0.667 4.632 3.960 0.008 0.000 0.299 456 G C -1.537 173.424 174.900 0.102 0.000 1.291 456 G CA 0.250 45.333 45.100 -0.028 0.000 0.841 456 G HN 2.134 nan 8.290 nan 0.000 0.500 457 Y N -1.960 118.396 120.300 0.095 0.000 2.638 457 Y HA 0.821 5.364 4.550 -0.012 0.000 0.335 457 Y C -0.769 175.171 175.900 0.066 0.000 1.155 457 Y CA -1.455 56.721 58.100 0.126 0.000 1.046 457 Y CB 1.345 39.953 38.460 0.247 0.000 1.303 457 Y HN 1.400 nan 8.280 nan 0.000 0.460 458 V N -0.579 119.555 119.914 0.367 0.000 2.888 458 V HA 0.939 5.063 4.120 0.008 0.000 0.309 458 V C -0.508 175.678 176.094 0.153 0.000 1.114 458 V CA -0.101 62.315 62.300 0.194 0.000 0.940 458 V CB 1.055 32.918 31.823 0.066 0.000 1.021 458 V HN 1.462 nan 8.190 nan 0.000 0.426 459 T N -0.174 114.365 114.554 -0.025 0.000 2.926 459 T HA 0.419 4.774 4.350 0.008 0.000 0.289 459 T C 0.906 175.573 174.700 -0.055 0.000 1.054 459 T CA -0.114 61.881 62.100 -0.174 0.000 1.015 459 T CB 1.807 70.276 68.868 -0.666 0.000 1.167 459 T HN 0.953 nan 8.240 nan 0.000 0.526 460 N N 0.644 119.331 118.700 -0.022 0.000 2.381 460 N HA -0.102 4.643 4.740 0.008 0.000 0.182 460 N C 0.996 176.489 175.510 -0.029 0.000 1.025 460 N CA 0.701 53.757 53.050 0.010 0.000 0.888 460 N CB -0.249 38.264 38.487 0.043 0.000 0.965 460 N HN 0.662 nan 8.380 nan 0.000 0.438 461 K N -0.368 119.991 120.400 -0.068 0.000 2.404 461 K HA 0.149 4.473 4.320 0.008 0.000 0.194 461 K C 0.600 177.174 176.600 -0.044 0.000 1.023 461 K CA 0.407 56.663 56.287 -0.051 0.000 1.094 461 K CB 0.217 32.683 32.500 -0.057 0.000 0.841 461 K HN 0.383 nan 8.250 nan 0.000 0.523 462 G N 2.261 111.033 108.800 -0.048 0.000 2.176 462 G HA2 -0.311 3.654 3.960 0.008 0.000 0.253 462 G HA3 -0.311 3.654 3.960 0.008 0.000 0.253 462 G C 0.069 174.957 174.900 -0.020 0.000 0.979 462 G CA -0.039 45.043 45.100 -0.031 0.000 0.641 462 G HN 0.358 nan 8.290 nan 0.000 0.530 463 R N 0.766 121.244 120.500 -0.036 0.000 2.543 463 R HA 0.515 4.859 4.340 0.008 0.000 0.277 463 R C -0.059 176.306 176.300 0.108 0.000 1.074 463 R CA 0.440 56.557 56.100 0.028 0.000 1.076 463 R CB 0.201 30.496 30.300 -0.008 0.000 0.993 463 R HN 0.490 nan 8.270 nan 0.000 0.459 464 Q N 2.348 122.210 119.800 0.104 0.000 2.482 464 Q HA 0.369 4.713 4.340 0.008 0.000 0.286 464 Q C -1.637 174.189 176.000 -0.290 0.000 1.007 464 Q CA -0.996 54.775 55.803 -0.055 0.000 0.801 464 Q CB 2.949 31.650 28.738 -0.061 0.000 1.455 464 Q HN 0.533 nan 8.270 nan 0.000 0.398 465 K N 0.669 120.697 120.400 -0.619 0.000 2.572 465 K HA 0.583 4.908 4.320 0.008 0.000 0.263 465 K C -2.115 174.238 176.600 -0.412 0.000 0.932 465 K CA -0.450 55.507 56.287 -0.550 0.000 0.838 465 K CB 2.107 34.164 32.500 -0.737 0.000 1.366 465 K HN 0.399 nan 8.250 nan 0.000 0.425 466 V N 3.302 123.087 119.914 -0.216 0.000 2.668 466 V HA 0.442 4.567 4.120 0.008 0.000 0.304 466 V C -1.036 175.010 176.094 -0.081 0.000 1.071 466 V CA -0.863 61.361 62.300 -0.127 0.000 0.894 466 V CB 1.934 33.706 31.823 -0.084 0.000 1.008 466 V HN 0.541 nan 8.190 nan 0.000 0.425 467 V N 6.517 126.401 119.914 -0.050 0.000 2.495 467 V HA 0.507 4.631 4.120 0.008 0.000 0.298 467 V C -2.493 173.598 176.094 -0.004 0.000 1.031 467 V CA -2.068 60.219 62.300 -0.021 0.000 0.871 467 V CB 2.337 34.158 31.823 -0.004 0.000 0.988 467 V HN 0.728 nan 8.190 nan 0.000 0.432 468 P HA 0.506 nan 4.420 nan 0.000 0.280 468 P C -1.070 176.238 177.300 0.013 0.000 1.244 468 P CA -0.185 62.918 63.100 0.004 0.000 0.784 468 P CB 0.745 32.446 31.700 0.001 0.000 0.913 469 L N 1.901 123.134 121.223 0.016 0.000 2.371 469 L HA 0.708 5.053 4.340 0.008 0.000 0.262 469 L C 0.392 177.272 176.870 0.017 0.000 1.006 469 L CA -0.591 54.262 54.840 0.021 0.000 0.818 469 L CB 2.544 44.620 42.059 0.029 0.000 1.354 469 L HN 0.364 nan 8.230 nan 0.000 0.415 470 T N -2.338 112.227 114.554 0.017 0.000 2.916 470 T HA 0.412 4.767 4.350 0.008 0.000 0.292 470 T C 0.021 174.729 174.700 0.014 0.000 1.064 470 T CA -0.745 61.363 62.100 0.014 0.000 1.011 470 T CB 1.558 70.433 68.868 0.012 0.000 1.152 470 T HN 0.601 nan 8.240 nan 0.000 0.510 471 N N -0.214 118.492 118.700 0.011 0.000 2.696 471 N HA -0.172 4.573 4.740 0.008 0.000 0.256 471 N C -0.553 174.964 175.510 0.011 0.000 1.031 471 N CA 1.404 54.459 53.050 0.009 0.000 0.730 471 N CB -1.160 37.332 38.487 0.010 0.000 0.894 471 N HN 1.022 nan 8.380 nan 0.000 0.544 472 T N -1.185 113.375 114.554 0.010 0.000 2.804 472 T HA 0.823 5.177 4.350 0.008 0.000 0.290 472 T C -0.445 174.257 174.700 0.003 0.000 1.099 472 T CA 0.250 62.356 62.100 0.010 0.000 1.011 472 T CB 1.318 70.197 68.868 0.018 0.000 1.291 472 T HN 0.427 nan 8.240 nan 0.000 0.523 473 T N -0.111 114.441 114.554 -0.003 0.000 2.865 473 T HA 0.459 4.813 4.350 0.008 0.000 0.294 473 T C 0.831 175.519 174.700 -0.019 0.000 1.119 473 T CA -0.829 61.260 62.100 -0.018 0.000 1.007 473 T CB 1.258 70.101 68.868 -0.041 0.000 1.225 473 T HN 0.418 nan 8.240 nan 0.000 0.515 474 N N 0.436 119.119 118.700 -0.028 0.000 2.061 474 N HA -0.135 4.610 4.740 0.008 0.000 0.193 474 N C 1.880 177.370 175.510 -0.033 0.000 1.030 474 N CA 1.662 54.702 53.050 -0.018 0.000 0.856 474 N CB -0.443 38.034 38.487 -0.017 0.000 1.023 474 N HN 0.669 nan 8.380 nan 0.000 0.424 475 Q N 0.518 120.244 119.800 -0.124 0.000 2.084 475 Q HA -0.065 4.279 4.340 0.008 0.000 0.202 475 Q C 1.815 177.810 176.000 -0.008 0.000 0.978 475 Q CA 1.211 56.880 55.803 -0.223 0.000 0.844 475 Q CB -0.018 28.310 28.738 -0.684 0.000 0.898 475 Q HN 0.395 nan 8.270 nan 0.000 0.426 476 K N -0.189 120.210 120.400 -0.001 0.000 2.155 476 K HA -0.084 4.240 4.320 0.008 0.000 0.203 476 K C 2.296 178.940 176.600 0.072 0.000 1.052 476 K CA 1.607 57.929 56.287 0.059 0.000 0.948 476 K CB -0.075 32.447 32.500 0.037 0.000 0.728 476 K HN 0.337 nan 8.250 nan 0.000 0.448 477 T N -0.940 113.647 114.554 0.055 0.000 2.904 477 T HA -0.083 4.271 4.350 0.008 0.000 0.267 477 T C 1.698 176.450 174.700 0.086 0.000 1.059 477 T CA 0.889 63.028 62.100 0.065 0.000 1.137 477 T CB -0.101 68.796 68.868 0.048 0.000 0.879 477 T HN 0.206 nan 8.240 nan 0.000 0.467 478 E N 1.033 121.292 120.200 0.097 0.000 2.077 478 E HA 0.004 4.359 4.350 0.008 0.000 0.193 478 E C 2.164 178.843 176.600 0.132 0.000 0.989 478 E CA 1.079 57.552 56.400 0.121 0.000 0.800 478 E CB -0.323 29.472 29.700 0.158 0.000 0.746 478 E HN 0.474 nan 8.360 nan 0.000 0.452 479 L N 0.473 121.785 121.223 0.148 0.000 2.109 479 L HA -0.184 4.160 4.340 0.008 0.000 0.207 479 L C 2.638 179.582 176.870 0.123 0.000 1.086 479 L CA 0.785 55.696 54.840 0.119 0.000 0.760 479 L CB -0.180 41.950 42.059 0.119 0.000 0.910 479 L HN 0.120 nan 8.230 nan 0.000 0.437 480 Q N 0.441 120.320 119.800 0.132 0.000 2.124 480 Q HA -0.177 4.168 4.340 0.008 0.000 0.202 480 Q C 2.178 178.291 176.000 0.188 0.000 0.977 480 Q CA 2.046 57.953 55.803 0.175 0.000 0.850 480 Q CB -0.237 28.582 28.738 0.135 0.000 0.901 480 Q HN 0.431 nan 8.270 nan 0.000 0.429 481 A N 0.120 123.029 122.820 0.148 0.000 1.902 481 A HA -0.156 4.168 4.320 0.008 0.000 0.217 481 A C 2.150 179.831 177.584 0.162 0.000 1.181 481 A CA 1.568 53.700 52.037 0.158 0.000 0.623 481 A CB -0.753 18.327 19.000 0.134 0.000 0.818 481 A HN 0.478 nan 8.150 nan 0.000 0.443 482 I N -2.035 118.610 120.570 0.125 0.000 2.226 482 I HA -0.241 3.933 4.170 0.008 0.000 0.245 482 I C 2.463 178.634 176.117 0.091 0.000 1.100 482 I CA 1.514 62.858 61.300 0.074 0.000 1.374 482 I CB -0.353 37.673 38.000 0.043 0.000 1.057 482 I HN 0.520 nan 8.210 nan 0.000 0.413 483 Y N 1.660 121.955 120.300 -0.008 0.000 2.181 483 Y HA -0.213 4.357 4.550 0.033 0.000 0.288 483 Y C 2.223 178.121 175.900 -0.002 0.000 1.146 483 Y CA 1.447 59.534 58.100 -0.020 0.000 1.164 483 Y CB -0.452 38.008 38.460 -0.001 0.000 0.982 483 Y HN 0.035 nan 8.280 nan 0.000 0.515 484 L N -0.499 120.717 121.223 -0.011 0.000 2.046 484 L HA -0.226 4.119 4.340 0.008 0.000 0.208 484 L C 2.777 179.633 176.870 -0.022 0.000 1.077 484 L CA 1.246 56.079 54.840 -0.011 0.000 0.747 484 L CB -1.023 41.164 42.059 0.215 0.000 0.896 484 L HN 0.280 nan 8.230 nan 0.000 0.432 485 A N 0.064 122.839 122.820 -0.075 0.000 1.902 485 A HA -0.169 4.155 4.320 0.008 0.000 0.217 485 A C 2.261 179.423 177.584 -0.704 0.000 1.181 485 A CA 1.466 53.175 52.037 -0.547 0.000 0.623 485 A CB -0.675 18.090 19.000 -0.392 0.000 0.818 485 A HN 0.352 nan 8.150 nan 0.000 0.443 486 L N -0.956 120.032 121.223 -0.391 0.000 2.027 486 L HA -0.246 4.099 4.340 0.008 0.000 0.206 486 L C 2.925 179.616 176.870 -0.299 0.000 1.074 486 L CA 1.590 56.239 54.840 -0.318 0.000 0.745 486 L CB -0.599 41.373 42.059 -0.144 0.000 0.898 486 L HN 0.479 nan 8.230 nan 0.000 0.433 487 Q N -0.270 119.337 119.800 -0.323 0.000 2.124 487 Q HA -0.207 4.137 4.340 0.008 0.000 0.202 487 Q C 1.060 176.955 176.000 -0.176 0.000 0.977 487 Q CA 1.456 57.095 55.803 -0.274 0.000 0.850 487 Q CB -0.031 28.481 28.738 -0.376 0.000 0.901 487 Q HN 0.480 nan 8.270 nan 0.000 0.429 488 D N -0.102 120.191 120.400 -0.178 0.000 2.349 488 D HA 0.024 4.668 4.640 0.008 0.000 0.214 488 D C 0.227 176.491 176.300 -0.061 0.000 1.063 488 D CA 0.194 54.165 54.000 -0.048 0.000 0.847 488 D CB 0.302 41.196 40.800 0.157 0.000 0.933 488 D HN 0.121 nan 8.370 nan 0.000 0.513 489 S N -1.026 114.506 115.700 -0.279 0.000 2.722 489 S HA 0.718 5.193 4.470 0.008 0.000 0.292 489 S C 0.837 175.379 174.600 -0.098 0.000 1.135 489 S CA -0.753 57.318 58.200 -0.216 0.000 1.003 489 S CB 1.975 64.780 63.200 -0.658 0.000 1.067 489 S HN 0.037 nan 8.310 nan 0.000 0.546 490 G N -0.344 108.442 108.800 -0.024 0.000 2.489 490 G HA2 0.367 4.332 3.960 0.008 0.000 0.271 490 G HA3 0.367 4.332 3.960 0.008 0.000 0.271 490 G C 0.643 175.522 174.900 -0.035 0.000 1.427 490 G CA -0.860 44.231 45.100 -0.014 0.000 1.057 490 G HN 0.710 nan 8.290 nan 0.000 0.532 491 L N -0.475 120.740 121.223 -0.014 0.000 2.362 491 L HA 0.101 4.446 4.340 0.008 0.000 0.219 491 L C 0.739 177.602 176.870 -0.012 0.000 1.134 491 L CA 1.005 55.838 54.840 -0.012 0.000 0.807 491 L CB -0.303 41.757 42.059 0.002 0.000 0.927 491 L HN 0.441 nan 8.230 nan 0.000 0.447 492 E N -0.427 119.768 120.200 -0.008 0.000 2.234 492 E HA 0.561 4.916 4.350 0.008 0.000 0.266 492 E C -1.256 175.341 176.600 -0.005 0.000 0.877 492 E CA -0.326 56.073 56.400 -0.001 0.000 0.758 492 E CB 3.330 33.036 29.700 0.012 0.000 1.170 492 E HN -0.180 nan 8.360 nan 0.000 0.415 493 V N 2.634 122.540 119.914 -0.013 0.000 3.048 493 V HA 0.371 4.495 4.120 0.008 0.000 0.303 493 V C -1.838 174.268 176.094 0.020 0.000 1.214 493 V CA -0.746 61.544 62.300 -0.016 0.000 0.984 493 V CB 2.424 34.139 31.823 -0.180 0.000 1.054 493 V HN 0.656 nan 8.190 nan 0.000 0.430 494 N N 5.225 123.967 118.700 0.069 0.000 2.400 494 N HA 0.639 5.384 4.740 0.008 0.000 0.288 494 N C -1.102 174.421 175.510 0.021 0.000 1.024 494 N CA -0.160 52.948 53.050 0.096 0.000 0.894 494 N CB 2.136 40.691 38.487 0.114 0.000 1.173 494 N HN 0.622 nan 8.380 nan 0.000 0.487 495 I N 1.578 122.119 120.570 -0.048 0.000 2.465 495 I HA 0.325 4.500 4.170 0.008 0.000 0.291 495 I C -0.505 175.522 176.117 -0.151 0.000 1.014 495 I CA -0.976 60.267 61.300 -0.096 0.000 1.093 495 I CB 2.183 40.117 38.000 -0.111 0.000 1.267 495 I HN -0.020 nan 8.210 nan 0.000 0.431 496 V N 4.645 124.444 119.914 -0.191 0.000 2.384 496 V HA 0.521 4.646 4.120 0.008 0.000 0.287 496 V C -0.023 176.024 176.094 -0.077 0.000 1.020 496 V CA -0.326 61.857 62.300 -0.194 0.000 0.850 496 V CB 1.642 33.233 31.823 -0.386 0.000 0.987 496 V HN 0.811 nan 8.190 nan 0.000 0.436 497 T N 1.603 116.118 114.554 -0.066 0.000 2.906 497 T HA 0.462 4.816 4.350 0.008 0.000 0.295 497 T C -0.052 174.570 174.700 -0.130 0.000 1.075 497 T CA -0.354 61.730 62.100 -0.027 0.000 1.005 497 T CB 1.838 70.732 68.868 0.042 0.000 1.136 497 T HN 0.863 nan 8.240 nan 0.000 0.498 498 D N 0.795 121.127 120.400 -0.113 0.000 2.395 498 D HA 0.190 4.835 4.640 0.008 0.000 0.213 498 D C 0.456 176.857 176.300 0.168 0.000 1.110 498 D CA -0.208 53.641 54.000 -0.251 0.000 0.835 498 D CB 0.198 40.839 40.800 -0.264 0.000 0.965 498 D HN 0.264 nan 8.370 nan 0.000 0.505 499 S N 0.405 116.252 115.700 0.245 0.000 2.416 499 S HA 0.058 4.533 4.470 0.008 0.000 0.302 499 S C 1.100 175.905 174.600 0.342 0.000 1.120 499 S CA -0.396 57.977 58.200 0.289 0.000 1.067 499 S CB 0.608 63.933 63.200 0.209 0.000 1.057 499 S HN 0.177 nan 8.310 nan 0.000 0.518 500 Q N 3.298 123.290 119.800 0.320 0.000 2.124 500 Q HA -0.162 4.183 4.340 0.008 0.000 0.202 500 Q C 1.262 177.279 176.000 0.029 0.000 0.977 500 Q CA 1.642 57.463 55.803 0.030 0.000 0.850 500 Q CB -0.247 28.480 28.738 -0.019 0.000 0.901 500 Q HN 1.000 nan 8.270 nan 0.000 0.429 501 Y N 1.076 121.381 120.300 0.007 0.000 2.114 501 Y HA -0.253 4.300 4.550 0.006 0.000 0.284 501 Y C 2.232 178.123 175.900 -0.014 0.000 1.143 501 Y CA 1.543 59.640 58.100 -0.004 0.000 1.135 501 Y CB -0.514 37.959 38.460 0.023 0.000 0.980 501 Y HN 0.055 nan 8.280 nan 0.000 0.499 502 A N 0.030 122.797 122.820 -0.088 0.000 1.933 502 A HA -0.162 4.163 4.320 0.008 0.000 0.218 502 A C 2.223 179.694 177.584 -0.188 0.000 1.175 502 A CA 1.793 53.710 52.037 -0.200 0.000 0.628 502 A CB -1.183 17.817 19.000 -0.000 0.000 0.814 502 A HN 0.540 nan 8.150 nan 0.000 0.444 503 L N -0.372 120.786 121.223 -0.109 0.000 2.093 503 L HA -0.044 4.301 4.340 0.008 0.000 0.208 503 L C 2.662 179.411 176.870 -0.201 0.000 1.085 503 L CA 1.520 56.278 54.840 -0.136 0.000 0.755 503 L CB -0.541 41.430 42.059 -0.148 0.000 0.904 503 L HN 0.416 nan 8.230 nan 0.000 0.435 504 G N -0.579 108.081 108.800 -0.233 0.000 2.422 504 G HA2 -0.226 3.738 3.960 0.008 0.000 0.218 504 G HA3 -0.226 3.738 3.960 0.008 0.000 0.218 504 G C 1.599 176.371 174.900 -0.213 0.000 1.146 504 G CA 0.977 45.933 45.100 -0.240 0.000 0.769 504 G HN 0.367 nan 8.290 nan 0.000 0.547 505 I N 0.272 120.671 120.570 -0.286 0.000 2.235 505 I HA -0.029 4.146 4.170 0.008 0.000 0.241 505 I C 2.609 178.633 176.117 -0.155 0.000 1.085 505 I CA 0.673 61.802 61.300 -0.286 0.000 1.378 505 I CB -0.177 37.514 38.000 -0.516 0.000 1.076 505 I HN 0.103 nan 8.210 nan 0.000 0.415 506 I N 0.478 120.965 120.570 -0.140 0.000 2.286 506 I HA -0.299 3.876 4.170 0.008 0.000 0.248 506 I C 2.325 178.471 176.117 0.048 0.000 1.115 506 I CA 1.361 62.642 61.300 -0.031 0.000 1.392 506 I CB -0.448 37.516 38.000 -0.059 0.000 1.065 506 I HN 0.318 nan 8.210 nan 0.000 0.418 507 Q N 0.590 120.377 119.800 -0.021 0.000 2.437 507 Q HA -0.057 4.287 4.340 0.008 0.000 0.210 507 Q C 2.125 178.200 176.000 0.126 0.000 0.972 507 Q CA 1.091 56.894 55.803 -0.000 0.000 0.903 507 Q CB -0.097 28.550 28.738 -0.152 0.000 0.967 507 Q HN 0.574 nan 8.270 nan 0.000 0.486 508 A N 0.483 123.401 122.820 0.163 0.000 2.251 508 A HA -0.051 4.274 4.320 0.008 0.000 0.209 508 A C 0.324 178.166 177.584 0.431 0.000 1.187 508 A CA -0.055 52.203 52.037 0.369 0.000 0.823 508 A CB 0.103 19.273 19.000 0.285 0.000 0.846 508 A HN 0.368 nan 8.150 nan 0.000 0.486 509 Q N -0.817 119.184 119.800 0.335 0.000 2.453 509 Q HA -0.127 4.218 4.340 0.008 0.000 0.330 509 Q C -2.364 173.816 176.000 0.300 0.000 1.417 509 Q CA 0.452 56.457 55.803 0.337 0.000 0.902 509 Q CB -1.632 27.323 28.738 0.361 0.000 1.154 509 Q HN 0.597 nan 8.270 nan 0.000 0.395 510 P HA 0.048 nan 4.420 nan 0.000 0.278 510 P C -0.149 177.296 177.300 0.241 0.000 1.238 510 P CA 0.096 63.334 63.100 0.231 0.000 0.794 510 P CB 0.940 32.754 31.700 0.190 0.000 0.955 511 D N 0.281 120.777 120.400 0.159 0.000 2.469 511 D HA 0.167 4.812 4.640 0.008 0.000 0.213 511 D C 0.200 176.503 176.300 0.005 0.000 1.135 511 D CA 0.113 54.179 54.000 0.109 0.000 0.834 511 D CB 0.445 41.296 40.800 0.086 0.000 1.009 511 D HN 0.323 nan 8.370 nan 0.000 0.507 512 K N -0.657 119.776 120.400 0.054 0.000 2.562 512 K HA 0.516 4.840 4.320 0.008 0.000 0.267 512 K C -1.952 174.705 176.600 0.096 0.000 0.938 512 K CA -0.595 55.708 56.287 0.027 0.000 0.840 512 K CB 2.118 34.616 32.500 -0.004 0.000 1.390 512 K HN -0.056 nan 8.250 nan 0.000 0.428 513 S N 1.062 116.815 115.700 0.089 0.000 2.618 513 S HA 0.305 4.780 4.470 0.008 0.000 0.277 513 S C -0.294 174.348 174.600 0.071 0.000 1.138 513 S CA -0.590 57.709 58.200 0.165 0.000 0.844 513 S CB 1.758 65.144 63.200 0.310 0.000 1.127 513 S HN 0.694 nan 8.310 nan 0.000 0.474 514 E N 0.899 121.118 120.200 0.032 0.000 2.478 514 E HA 0.061 4.416 4.350 0.008 0.000 0.194 514 E C 0.058 176.672 176.600 0.024 0.000 1.045 514 E CA 0.133 56.531 56.400 -0.003 0.000 0.868 514 E CB 0.499 30.170 29.700 -0.048 0.000 0.885 514 E HN 0.374 nan 8.360 nan 0.000 0.505 515 S N 0.907 116.653 115.700 0.077 0.000 2.429 515 S HA 0.089 4.564 4.470 0.008 0.000 0.302 515 S C 0.815 175.435 174.600 0.032 0.000 1.115 515 S CA -0.550 57.697 58.200 0.079 0.000 1.095 515 S CB 1.754 65.050 63.200 0.161 0.000 0.987 515 S HN 0.127 nan 8.310 nan 0.000 0.474 516 E N 3.308 123.507 120.200 -0.002 0.000 2.153 516 E HA -0.154 4.201 4.350 0.008 0.000 0.194 516 E C 1.565 178.108 176.600 -0.094 0.000 0.988 516 E CA 0.981 57.356 56.400 -0.041 0.000 0.811 516 E CB -0.050 29.627 29.700 -0.038 0.000 0.746 516 E HN 0.722 nan 8.360 nan 0.000 0.466 517 L N 0.379 121.554 121.223 -0.080 0.000 2.017 517 L HA -0.155 4.190 4.340 0.008 0.000 0.208 517 L C 2.305 179.071 176.870 -0.172 0.000 1.073 517 L CA 1.403 56.153 54.840 -0.150 0.000 0.745 517 L CB -0.702 41.322 42.059 -0.059 0.000 0.894 517 L HN 0.048 nan 8.230 nan 0.000 0.432 518 V N 0.233 120.102 119.914 -0.076 0.000 2.407 518 V HA -0.275 3.850 4.120 0.008 0.000 0.248 518 V C 2.397 178.430 176.094 -0.101 0.000 1.055 518 V CA 1.720 63.966 62.300 -0.090 0.000 1.049 518 V CB -0.886 30.900 31.823 -0.063 0.000 0.662 518 V HN 0.512 nan 8.190 nan 0.000 0.455 519 N N 0.016 118.668 118.700 -0.080 0.000 2.166 519 N HA -0.175 4.569 4.740 0.008 0.000 0.186 519 N C 1.958 177.385 175.510 -0.137 0.000 1.019 519 N CA 1.352 54.351 53.050 -0.085 0.000 0.856 519 N CB -0.231 38.217 38.487 -0.066 0.000 0.993 519 N HN 0.605 nan 8.380 nan 0.000 0.426 520 Q N 0.398 120.056 119.800 -0.236 0.000 2.084 520 Q HA -0.005 4.340 4.340 0.008 0.000 0.202 520 Q C 2.150 177.988 176.000 -0.269 0.000 0.978 520 Q CA 0.873 56.468 55.803 -0.346 0.000 0.844 520 Q CB -0.033 28.218 28.738 -0.813 0.000 0.898 520 Q HN 0.385 nan 8.270 nan 0.000 0.426 521 I N 0.367 120.768 120.570 -0.281 0.000 2.226 521 I HA -0.291 3.884 4.170 0.008 0.000 0.245 521 I C 2.095 178.142 176.117 -0.117 0.000 1.100 521 I CA 1.100 62.333 61.300 -0.112 0.000 1.374 521 I CB -0.175 37.755 38.000 -0.117 0.000 1.057 521 I HN 0.206 nan 8.210 nan 0.000 0.413 522 I N 0.510 121.004 120.570 -0.127 0.000 2.226 522 I HA -0.318 3.857 4.170 0.008 0.000 0.245 522 I C 2.606 178.687 176.117 -0.060 0.000 1.100 522 I CA 1.502 62.736 61.300 -0.110 0.000 1.374 522 I CB -0.383 37.611 38.000 -0.011 0.000 1.057 522 I HN 0.290 nan 8.210 nan 0.000 0.413 523 E N 0.490 120.663 120.200 -0.045 0.000 2.110 523 E HA -0.262 4.093 4.350 0.008 0.000 0.193 523 E C 2.190 178.804 176.600 0.023 0.000 0.988 523 E CA 1.104 57.499 56.400 -0.008 0.000 0.804 523 E CB 0.133 29.829 29.700 -0.006 0.000 0.745 523 E HN 0.443 nan 8.360 nan 0.000 0.458 524 Q N 0.194 120.011 119.800 0.029 0.000 2.079 524 Q HA -0.106 4.238 4.340 0.008 0.000 0.200 524 Q C 2.490 178.474 176.000 -0.027 0.000 0.974 524 Q CA 0.847 56.666 55.803 0.026 0.000 0.840 524 Q CB -0.187 28.592 28.738 0.067 0.000 0.898 524 Q HN 0.415 nan 8.270 nan 0.000 0.430 525 L N 0.240 121.402 121.223 -0.102 0.000 2.083 525 L HA -0.173 4.172 4.340 0.008 0.000 0.209 525 L C 2.354 179.226 176.870 0.002 0.000 1.083 525 L CA 0.895 55.633 54.840 -0.170 0.000 0.752 525 L CB -0.455 41.256 42.059 -0.579 0.000 0.899 525 L HN 0.169 nan 8.230 nan 0.000 0.433 526 I N -0.316 120.306 120.570 0.087 0.000 2.493 526 I HA -0.263 3.912 4.170 0.008 0.000 0.254 526 I C 2.274 178.479 176.117 0.146 0.000 1.160 526 I CA 1.319 62.748 61.300 0.214 0.000 1.445 526 I CB -0.199 37.958 38.000 0.262 0.000 1.086 526 I HN 0.237 nan 8.210 nan 0.000 0.433 527 K N 0.322 120.772 120.400 0.084 0.000 2.305 527 K HA 0.026 4.351 4.320 0.008 0.000 0.199 527 K C 0.620 177.245 176.600 0.041 0.000 1.047 527 K CA 0.312 56.636 56.287 0.062 0.000 0.976 527 K CB 0.181 32.705 32.500 0.040 0.000 0.765 527 K HN 0.084 nan 8.250 nan 0.000 0.474 528 K N 1.219 121.635 120.400 0.026 0.000 2.180 528 K HA 0.035 4.360 4.320 0.008 0.000 0.251 528 K C 0.967 177.587 176.600 0.033 0.000 1.014 528 K CA 0.255 56.547 56.287 0.010 0.000 0.913 528 K CB 0.700 33.189 32.500 -0.018 0.000 1.008 528 K HN -0.051 nan 8.250 nan 0.000 0.490 529 E N 1.248 121.462 120.200 0.024 0.000 2.127 529 E HA 0.047 4.401 4.350 0.008 0.000 0.191 529 E C -0.220 176.402 176.600 0.037 0.000 0.964 529 E CA 1.057 57.477 56.400 0.032 0.000 0.832 529 E CB 0.413 30.127 29.700 0.022 0.000 0.790 529 E HN 0.373 nan 8.360 nan 0.000 0.465 530 K N 0.329 120.746 120.400 0.029 0.000 2.482 530 K HA 0.536 4.860 4.320 0.008 0.000 0.251 530 K C -1.296 175.325 176.600 0.034 0.000 0.936 530 K CA -0.465 55.845 56.287 0.039 0.000 0.791 530 K CB 3.224 35.743 32.500 0.032 0.000 1.213 530 K HN -0.237 nan 8.250 nan 0.000 0.428 531 V N 3.110 123.058 119.914 0.056 0.000 2.569 531 V HA 0.272 4.396 4.120 0.008 0.000 0.301 531 V C -1.619 174.544 176.094 0.115 0.000 1.044 531 V CA -0.912 61.415 62.300 0.045 0.000 0.874 531 V CB 1.484 33.299 31.823 -0.013 0.000 1.002 531 V HN 0.702 nan 8.190 nan 0.000 0.424 532 Y N 5.878 126.163 120.300 -0.025 0.000 2.328 532 Y HA 0.766 5.320 4.550 0.007 0.000 0.337 532 Y C -0.979 174.906 175.900 -0.024 0.000 0.966 532 Y CA -1.242 56.849 58.100 -0.015 0.000 1.136 532 Y CB 1.754 40.205 38.460 -0.015 0.000 1.170 532 Y HN 0.593 nan 8.280 nan 0.000 0.470 533 L N 6.625 127.530 121.223 -0.530 0.000 2.298 533 L HA 0.849 5.194 4.340 0.008 0.000 0.284 533 L C -0.897 175.574 176.870 -0.665 0.000 1.013 533 L CA -0.406 54.171 54.840 -0.439 0.000 0.824 533 L CB 0.691 42.618 42.059 -0.221 0.000 1.221 533 L HN 0.756 nan 8.230 nan 0.000 0.418 534 A N 4.550 127.067 122.820 -0.506 0.000 2.324 534 A HA 0.644 4.968 4.320 0.008 0.000 0.330 534 A C -1.709 175.840 177.584 -0.059 0.000 1.165 534 A CA -0.527 51.319 52.037 -0.318 0.000 0.813 534 A CB 0.601 19.502 19.000 -0.166 0.000 1.197 534 A HN 0.819 nan 8.150 nan 0.000 0.484 535 W N 2.713 123.936 121.300 -0.128 0.000 2.666 535 W HA 0.591 5.255 4.660 0.006 0.000 0.334 535 W C -0.862 175.640 176.519 -0.028 0.000 1.051 535 W CA -0.445 56.856 57.345 -0.073 0.000 1.224 535 W CB 1.824 31.239 29.460 -0.075 0.000 1.405 535 W HN 0.859 nan 8.180 nan 0.000 0.513 536 V N 3.053 122.246 119.914 -1.202 0.000 3.007 536 V HA 0.713 4.837 4.120 0.008 0.000 0.311 536 V C -2.822 172.271 176.094 -1.668 0.000 1.120 536 V CA -3.138 58.499 62.300 -1.105 0.000 0.980 536 V CB 1.580 33.125 31.823 -0.464 0.000 1.033 536 V HN 0.493 nan 8.190 nan 0.000 0.429 537 P HA 0.415 nan 4.420 nan 0.000 0.271 537 P C -0.139 176.954 177.300 -0.346 0.000 1.216 537 P CA 0.391 63.151 63.100 -0.566 0.000 0.771 537 P CB 0.722 32.312 31.700 -0.183 0.000 0.864 538 A N 3.172 125.867 122.820 -0.209 0.000 2.346 538 A HA 0.219 4.543 4.320 0.008 0.000 0.252 538 A C 0.216 177.717 177.584 -0.139 0.000 1.089 538 A CA -0.144 51.742 52.037 -0.252 0.000 0.797 538 A CB -0.656 18.174 19.000 -0.285 0.000 1.047 538 A HN 0.762 nan 8.150 nan 0.000 0.494 539 H N -0.242 118.807 119.070 -0.035 0.000 2.626 539 H HA -0.094 4.467 4.556 0.008 0.000 0.317 539 H C -0.186 175.126 175.328 -0.027 0.000 1.140 539 H CA 1.212 57.247 56.048 -0.023 0.000 1.134 539 H CB -0.832 28.927 29.762 -0.006 0.000 1.486 539 H HN 0.589 nan 8.280 nan 0.000 0.417 540 K N -0.378 120.038 120.400 0.026 0.000 2.564 540 K HA 0.237 4.562 4.320 0.008 0.000 0.201 540 K C 1.254 177.847 176.600 -0.012 0.000 1.086 540 K CA 0.393 56.683 56.287 0.004 0.000 1.062 540 K CB 0.694 33.176 32.500 -0.029 0.000 0.849 540 K HN 0.575 nan 8.250 nan 0.000 0.529 541 G N 2.110 110.904 108.800 -0.009 0.000 2.246 541 G HA2 -0.250 3.714 3.960 0.008 0.000 0.273 541 G HA3 -0.250 3.714 3.960 0.008 0.000 0.273 541 G C 0.013 174.888 174.900 -0.041 0.000 1.055 541 G CA -0.006 45.082 45.100 -0.020 0.000 0.851 541 G HN 0.303 nan 8.290 nan 0.000 0.500 542 I N 1.685 122.221 120.570 -0.058 0.000 2.291 542 I HA 0.413 4.588 4.170 0.008 0.000 0.290 542 I C 1.492 177.542 176.117 -0.111 0.000 1.050 542 I CA -0.280 60.979 61.300 -0.067 0.000 1.245 542 I CB 0.775 38.739 38.000 -0.060 0.000 1.405 542 I HN 0.201 nan 8.210 nan 0.000 0.478 543 G N 3.608 112.318 108.800 -0.150 0.000 2.690 543 G HA2 0.313 4.277 3.960 0.008 0.000 0.239 543 G HA3 0.313 4.277 3.960 0.008 0.000 0.239 543 G C 1.084 175.653 174.900 -0.551 0.000 1.233 543 G CA 0.347 45.294 45.100 -0.255 0.000 0.847 543 G HN 1.044 nan 8.290 nan 0.000 0.588 544 G N 0.626 109.022 108.800 -0.673 0.000 2.480 544 G HA2 -0.382 3.583 3.960 0.008 0.000 0.246 544 G HA3 -0.382 3.583 3.960 0.008 0.000 0.246 544 G C 1.091 175.827 174.900 -0.274 0.000 1.073 544 G CA 0.849 45.347 45.100 -1.003 0.000 0.643 544 G HN 1.007 nan 8.290 nan 0.000 0.525 545 N N 2.498 121.104 118.700 -0.157 0.000 2.921 545 N HA 0.164 4.908 4.740 0.008 0.000 0.325 545 N C 1.166 176.654 175.510 -0.036 0.000 1.194 545 N CA 0.827 53.862 53.050 -0.024 0.000 1.184 545 N CB -0.094 38.357 38.487 -0.060 0.000 1.433 545 N HN 0.660 nan 8.380 nan 0.000 0.539 546 E N 0.569 120.764 120.200 -0.008 0.000 2.676 546 E HA -0.098 4.256 4.350 0.008 0.000 0.318 546 E C 0.790 177.390 176.600 0.001 0.000 1.514 546 E CA -0.006 56.386 56.400 -0.014 0.000 1.667 546 E CB -0.034 29.665 29.700 -0.002 0.000 1.336 546 E HN 0.478 nan 8.360 nan 0.000 0.492 547 Q N 0.672 120.468 119.800 -0.007 0.000 2.181 547 Q HA -0.168 4.177 4.340 0.008 0.000 0.205 547 Q C 1.922 177.933 176.000 0.020 0.000 0.980 547 Q CA 2.125 57.932 55.803 0.006 0.000 0.862 547 Q CB -0.127 28.611 28.738 0.000 0.000 0.905 547 Q HN 0.459 nan 8.270 nan 0.000 0.429 548 V N -1.630 118.291 119.914 0.012 0.000 2.392 548 V HA -0.253 3.872 4.120 0.008 0.000 0.249 548 V C 1.587 177.682 176.094 0.002 0.000 1.059 548 V CA 2.264 64.569 62.300 0.009 0.000 1.051 548 V CB -0.716 31.106 31.823 -0.002 0.000 0.658 548 V HN 0.241 nan 8.190 nan 0.000 0.455 549 D N 0.918 121.315 120.400 -0.005 0.000 2.178 549 D HA -0.077 4.568 4.640 0.008 0.000 0.201 549 D C 1.642 177.938 176.300 -0.006 0.000 0.980 549 D CA 1.402 55.395 54.000 -0.012 0.000 0.842 549 D CB -0.123 40.663 40.800 -0.022 0.000 0.948 549 D HN 0.581 nan 8.370 nan 0.000 0.472 550 K N 0.341 120.744 120.400 0.005 0.000 2.498 550 K HA 0.209 4.533 4.320 0.008 0.000 0.207 550 K C 1.388 177.999 176.600 0.019 0.000 1.033 550 K CA -0.138 56.155 56.287 0.011 0.000 1.138 550 K CB 0.507 33.017 32.500 0.017 0.000 0.860 550 K HN 0.192 nan 8.250 nan 0.000 0.490 551 L N 0.707 121.941 121.223 0.019 0.000 2.509 551 L HA 0.079 4.423 4.340 0.008 0.000 0.222 551 L C 0.712 177.592 176.870 0.016 0.000 1.123 551 L CA 0.064 54.919 54.840 0.025 0.000 0.856 551 L CB 0.080 42.156 42.059 0.029 0.000 0.985 551 L HN -0.136 nan 8.230 nan 0.000 0.456 552 V N 0.000 119.920 119.914 0.009 0.000 2.409 552 V HA 0.000 4.125 4.120 0.008 0.000 0.244 552 V CA 0.000 62.303 62.300 0.005 0.000 1.235 552 V CB 0.000 31.823 31.823 0.001 0.000 1.184 552 V HN 0.000 nan 8.190 nan 0.000 0.556