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 2ag0_1_D DATA FIRST_RESID 2 DATA SEQUENCE AMITGGELVV RTLIKAGVEH LFGLHGAHID TIFQACLDHD VPIIDTRHEA DATA SEQUENCE AAGHAAEGYA RAGAKLGVAL VTAGGGFTNA VTPIANAWLD RTPVLFLTGS DATA SEQUENCE GALRDDETNT LQAGIDQVAM AAPITKWAHR VMATEHIPRL VMQAIRAALS DATA SEQUENCE APRGPVLLDL PWDILMNQID EDSVIIPDLV LSAHGARPDP ADLDQALALL DATA SEQUENCE RKAERPVIVL GSEASRTARK TALSAFVAAT GVPVFADYEG LSMLSGLPDA DATA SEQUENCE MRGGLVQNLY SFAKADAAPD LVLMLGARFG LNTGHGSGQL IPHSAQVIQV DATA SEQUENCE DPDACELGRL QGIALGIVAD VGGTIEALAQ ATAQDAAWPD RGDWCAKVTD DATA SEQUENCE LAQERYASIA AKSSSEHALH PFHASQVIAK HVDAGVTVVA DGALTYLWLS DATA SEQUENCE EVMSRVKPGG FLCHGYLGSM GVGFGTALGA QVADLEAGRR TILVTGDGSV DATA SEQUENCE GYSIGEFDTL VRKQLPLIVI IMNNQSWGAT LHFQQLAVGP NRVTGTRLEN DATA SEQUENCE GSYHGVAAAF GADGYHVDSV ESFSAALAQA LAHNRPACIN VAVALDPIPP DATA SEQUENCE EELI 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.592 177.584 0.013 0.000 1.274 2 A CA 0.000 52.044 52.037 0.011 0.000 0.836 2 A CB 0.000 19.005 19.000 0.008 0.000 0.831 3 M N 2.145 121.752 119.600 0.011 0.000 2.146 3 M HA 0.579 5.058 4.480 -0.002 0.000 0.357 3 M C -0.229 176.081 176.300 0.017 0.000 1.261 3 M CA -0.478 54.829 55.300 0.011 0.000 1.106 3 M CB 0.130 32.734 32.600 0.006 0.000 1.612 3 M HN 0.657 nan 8.290 nan 0.000 0.470 4 I N -0.248 120.334 120.570 0.020 0.000 2.969 4 I HA 0.766 4.935 4.170 -0.002 0.000 0.307 4 I C 0.154 176.288 176.117 0.029 0.000 1.149 4 I CA -0.880 60.438 61.300 0.029 0.000 1.008 4 I CB 2.339 40.362 38.000 0.038 0.000 1.232 4 I HN 0.649 nan 8.210 nan 0.000 0.435 5 T N 0.370 114.947 114.554 0.039 0.000 2.874 5 T HA 0.403 4.752 4.350 -0.002 0.000 0.281 5 T C 1.183 175.910 174.700 0.044 0.000 0.994 5 T CA -0.053 62.071 62.100 0.041 0.000 1.015 5 T CB 1.341 70.242 68.868 0.054 0.000 1.028 5 T HN 0.927 nan 8.240 nan 0.000 0.523 6 G N 0.276 109.103 108.800 0.045 0.000 2.422 6 G HA2 0.005 3.964 3.960 -0.002 0.000 0.218 6 G HA3 0.005 3.964 3.960 -0.002 0.000 0.218 6 G C 1.540 176.474 174.900 0.057 0.000 1.146 6 G CA 0.583 45.711 45.100 0.048 0.000 0.769 6 G HN 1.029 nan 8.290 nan 0.000 0.547 7 G N 0.453 109.295 108.800 0.070 0.000 2.440 7 G HA2 -0.178 3.781 3.960 -0.002 0.000 0.218 7 G HA3 -0.178 3.781 3.960 -0.002 0.000 0.218 7 G C 1.624 176.558 174.900 0.056 0.000 1.154 7 G CA 1.075 46.219 45.100 0.072 0.000 0.767 7 G HN 0.347 nan 8.290 nan 0.000 0.552 8 E N 0.335 120.572 120.200 0.062 0.000 2.097 8 E HA -0.092 4.257 4.350 -0.002 0.000 0.196 8 E C 2.712 179.328 176.600 0.027 0.000 1.000 8 E CA 0.661 57.097 56.400 0.060 0.000 0.804 8 E CB -0.344 29.402 29.700 0.076 0.000 0.740 8 E HN 0.459 nan 8.360 nan 0.000 0.454 9 L N 0.101 121.342 121.223 0.030 0.000 2.046 9 L HA -0.193 4.146 4.340 -0.002 0.000 0.208 9 L C 2.582 179.458 176.870 0.011 0.000 1.077 9 L CA 0.732 55.585 54.840 0.021 0.000 0.747 9 L CB -0.468 41.610 42.059 0.032 0.000 0.896 9 L HN 0.008 nan 8.230 nan 0.000 0.432 10 V N -0.706 119.219 119.914 0.017 0.000 2.255 10 V HA -0.277 3.842 4.120 -0.002 0.000 0.247 10 V C 2.385 178.464 176.094 -0.025 0.000 1.051 10 V CA 1.768 64.074 62.300 0.010 0.000 1.018 10 V CB -0.353 31.483 31.823 0.021 0.000 0.641 10 V HN 0.202 nan 8.190 nan 0.000 0.445 11 V N -0.277 119.609 119.914 -0.047 0.000 2.358 11 V HA -0.220 3.899 4.120 -0.002 0.000 0.246 11 V C 2.568 178.559 176.094 -0.173 0.000 1.047 11 V CA 1.910 64.146 62.300 -0.107 0.000 1.035 11 V CB -0.799 30.960 31.823 -0.107 0.000 0.658 11 V HN 0.464 nan 8.190 nan 0.000 0.452 12 R N -0.178 120.222 120.500 -0.166 0.000 2.120 12 R HA -0.137 4.202 4.340 -0.002 0.000 0.234 12 R C 2.324 178.566 176.300 -0.096 0.000 1.123 12 R CA 1.901 57.899 56.100 -0.169 0.000 0.975 12 R CB -0.617 29.626 30.300 -0.095 0.000 0.866 12 R HN 0.531 nan 8.270 nan 0.000 0.446 13 T N 1.432 115.953 114.554 -0.056 0.000 2.812 13 T HA -0.011 4.338 4.350 -0.002 0.000 0.264 13 T C 1.927 176.609 174.700 -0.031 0.000 1.042 13 T CA 0.764 62.847 62.100 -0.027 0.000 1.140 13 T CB -0.090 68.778 68.868 0.000 0.000 0.870 13 T HN 0.109 nan 8.240 nan 0.000 0.445 14 L N 0.427 121.624 121.223 -0.044 0.000 2.012 14 L HA -0.080 4.259 4.340 -0.002 0.000 0.210 14 L C 2.488 179.325 176.870 -0.055 0.000 1.073 14 L CA 1.344 56.157 54.840 -0.044 0.000 0.748 14 L CB -0.684 41.340 42.059 -0.058 0.000 0.891 14 L HN 0.246 nan 8.230 nan 0.000 0.431 15 I N -0.086 120.432 120.570 -0.087 0.000 2.163 15 I HA -0.326 3.843 4.170 -0.002 0.000 0.243 15 I C 2.620 178.707 176.117 -0.050 0.000 1.085 15 I CA 1.438 62.688 61.300 -0.085 0.000 1.347 15 I CB -0.255 37.664 38.000 -0.134 0.000 1.044 15 I HN 0.180 nan 8.210 nan 0.000 0.408 16 K N 0.838 121.211 120.400 -0.045 0.000 2.280 16 K HA -0.114 4.205 4.320 -0.002 0.000 0.202 16 K C 1.862 178.453 176.600 -0.015 0.000 1.047 16 K CA 1.228 57.500 56.287 -0.026 0.000 0.942 16 K CB -0.053 32.434 32.500 -0.021 0.000 0.739 16 K HN 0.352 nan 8.250 nan 0.000 0.457 17 A N -0.547 122.265 122.820 -0.014 0.000 2.208 17 A HA 0.215 4.534 4.320 -0.002 0.000 0.209 17 A C 1.314 178.899 177.584 0.002 0.000 1.161 17 A CA 0.761 52.796 52.037 -0.003 0.000 0.782 17 A CB -0.214 18.788 19.000 0.003 0.000 0.816 17 A HN 0.437 nan 8.150 nan 0.000 0.477 18 G N -0.986 107.812 108.800 -0.004 0.000 2.141 18 G HA2 -0.109 3.850 3.960 -0.002 0.000 0.231 18 G HA3 -0.109 3.850 3.960 -0.002 0.000 0.231 18 G C 0.431 175.342 174.900 0.019 0.000 0.984 18 G CA 0.459 45.562 45.100 0.005 0.000 0.660 18 G HN 1.790 nan 8.290 nan 0.000 0.525 19 V N -1.501 118.417 119.914 0.007 0.000 2.614 19 V HA 0.759 4.878 4.120 -0.002 0.000 0.291 19 V C 0.785 176.858 176.094 -0.034 0.000 1.049 19 V CA 0.835 63.145 62.300 0.017 0.000 1.038 19 V CB 1.521 33.346 31.823 0.005 0.000 0.980 19 V HN 0.335 nan 8.190 nan 0.000 0.481 20 E N 2.761 122.945 120.200 -0.027 0.000 2.539 20 E HA 0.283 4.632 4.350 -0.002 0.000 0.215 20 E C -0.801 175.479 176.600 -0.533 0.000 0.965 20 E CA -0.037 56.240 56.400 -0.206 0.000 1.019 20 E CB 0.569 30.184 29.700 -0.142 0.000 1.059 20 E HN 0.982 nan 8.360 nan 0.000 0.496 21 H N -0.872 118.086 119.070 -0.187 0.000 2.974 21 H HA 0.417 4.972 4.556 -0.002 0.000 0.366 21 H C -1.371 173.665 175.328 -0.486 0.000 1.155 21 H CA -0.670 55.139 56.048 -0.397 0.000 1.186 21 H CB 1.459 30.875 29.762 -0.576 0.000 1.799 21 H HN -0.149 nan 8.280 nan 0.000 0.541 22 L N 1.823 122.787 121.223 -0.431 0.000 2.323 22 L HA 0.562 4.901 4.340 -0.002 0.000 0.265 22 L C -1.158 175.323 176.870 -0.648 0.000 1.012 22 L CA -0.425 54.174 54.840 -0.401 0.000 0.820 22 L CB 1.183 43.074 42.059 -0.282 0.000 1.334 22 L HN 0.491 nan 8.230 nan 0.000 0.427 23 F N 0.156 120.009 119.950 -0.162 0.000 2.518 23 F HA 0.806 5.332 4.527 -0.002 0.000 0.323 23 F C 0.586 176.346 175.800 -0.066 0.000 1.129 23 F CA -0.419 57.515 58.000 -0.109 0.000 0.920 23 F CB 2.072 41.001 39.000 -0.118 0.000 1.160 23 F HN 0.494 nan 8.300 nan 0.000 0.440 24 G N 2.364 111.242 108.800 0.131 0.000 2.561 24 G HA2 0.593 4.552 3.960 -0.002 0.000 0.310 24 G HA3 0.593 4.552 3.960 -0.002 0.000 0.310 24 G C -2.723 172.291 174.900 0.190 0.000 1.292 24 G CA -0.649 44.535 45.100 0.140 0.000 0.811 24 G HN 0.462 nan 8.290 nan 0.000 0.482 25 L N 0.559 121.916 121.223 0.223 0.000 2.493 25 L HA 0.572 4.911 4.340 -0.002 0.000 0.265 25 L C -0.698 176.294 176.870 0.203 0.000 0.954 25 L CA -0.763 54.194 54.840 0.196 0.000 0.844 25 L CB 1.318 43.435 42.059 0.097 0.000 1.302 25 L HN 0.906 nan 8.230 nan 0.000 0.405 26 H N 2.689 121.765 119.070 0.009 0.000 2.790 26 H HA 0.600 5.155 4.556 -0.002 0.000 0.358 26 H C -0.054 175.169 175.328 -0.174 0.000 1.103 26 H CA 1.205 57.079 56.048 -0.291 0.000 1.426 26 H CB 1.177 30.549 29.762 -0.650 0.000 1.424 26 H HN 0.824 nan 8.280 nan 0.000 0.599 27 G N 1.366 109.651 108.800 -0.858 0.000 2.690 27 G HA2 0.465 4.424 3.960 -0.002 0.000 0.293 27 G HA3 0.465 4.424 3.960 -0.002 0.000 0.293 27 G C 0.194 174.655 174.900 -0.732 0.000 1.399 27 G CA -0.296 44.470 45.100 -0.556 0.000 0.890 27 G HN 0.856 nan 8.290 nan 0.000 0.485 28 A N -0.013 122.605 122.820 -0.337 0.000 1.940 28 A HA -0.076 4.243 4.320 -0.002 0.000 0.219 28 A C 1.797 179.090 177.584 -0.486 0.000 1.176 28 A CA 1.883 53.759 52.037 -0.270 0.000 0.631 28 A CB -0.893 18.000 19.000 -0.177 0.000 0.814 28 A HN 0.795 nan 8.150 nan 0.000 0.446 29 H N -0.267 118.319 119.070 -0.807 0.000 2.457 29 H HA -0.103 4.452 4.556 -0.001 0.000 0.297 29 H C 1.504 176.565 175.328 -0.445 0.000 1.092 29 H CA 1.653 57.067 56.048 -1.056 0.000 1.309 29 H CB -0.099 29.202 29.762 -0.769 0.000 1.382 29 H HN 0.747 nan 8.280 nan 0.000 0.535 30 I N -2.011 118.460 120.570 -0.165 0.000 3.936 30 I HA 0.163 4.332 4.170 -0.002 0.000 0.330 30 I C 1.051 177.226 176.117 0.096 0.000 1.509 30 I CA -0.050 61.252 61.300 0.003 0.000 1.126 30 I CB 0.434 38.464 38.000 0.050 0.000 1.115 30 I HN -0.193 nan 8.210 nan 0.000 0.424 31 D N 2.271 122.691 120.400 0.033 0.000 2.218 31 D HA -0.212 4.427 4.640 -0.002 0.000 0.204 31 D C 2.273 178.718 176.300 0.242 0.000 0.976 31 D CA 2.275 56.372 54.000 0.162 0.000 0.853 31 D CB 0.279 41.176 40.800 0.162 0.000 0.939 31 D HN 0.530 nan 8.370 nan 0.000 0.481 32 T N -1.668 113.002 114.554 0.194 0.000 2.881 32 T HA -0.134 4.215 4.350 -0.002 0.000 0.270 32 T C 2.133 176.928 174.700 0.158 0.000 1.068 32 T CA 0.868 63.068 62.100 0.166 0.000 1.131 32 T CB -0.490 68.464 68.868 0.143 0.000 0.871 32 T HN 0.223 nan 8.240 nan 0.000 0.479 33 I N -0.484 120.186 120.570 0.166 0.000 2.353 33 I HA 0.037 4.206 4.170 -0.002 0.000 0.248 33 I C 2.172 178.337 176.117 0.080 0.000 1.119 33 I CA 0.990 62.347 61.300 0.096 0.000 1.417 33 I CB -0.383 37.644 38.000 0.046 0.000 1.078 33 I HN 0.098 nan 8.210 nan 0.000 0.421 34 F N 1.156 121.145 119.950 0.065 0.000 2.095 34 F HA -0.251 4.275 4.527 -0.002 0.000 0.298 34 F C 2.766 178.608 175.800 0.069 0.000 1.104 34 F CA 1.465 59.513 58.000 0.081 0.000 1.232 34 F CB -0.467 38.626 39.000 0.155 0.000 0.987 34 F HN 0.076 nan 8.300 nan 0.000 0.475 35 Q N -0.088 119.869 119.800 0.262 0.000 2.084 35 Q HA -0.128 4.211 4.340 -0.002 0.000 0.202 35 Q C 2.551 178.624 176.000 0.122 0.000 0.978 35 Q CA 1.436 57.337 55.803 0.163 0.000 0.844 35 Q CB -1.018 27.802 28.738 0.136 0.000 0.898 35 Q HN 0.446 nan 8.270 nan 0.000 0.426 36 A N 0.411 123.306 122.820 0.125 0.000 1.902 36 A HA -0.167 4.152 4.320 -0.002 0.000 0.217 36 A C 2.549 180.235 177.584 0.169 0.000 1.181 36 A CA 1.382 53.509 52.037 0.151 0.000 0.623 36 A CB -0.941 18.133 19.000 0.124 0.000 0.818 36 A HN 0.454 nan 8.150 nan 0.000 0.443 37 C N -0.821 118.521 119.300 0.068 0.000 2.425 37 C HA -0.067 4.392 4.460 -0.002 0.000 0.277 37 C C 2.497 177.511 174.990 0.040 0.000 1.280 37 C CA 0.967 59.995 59.018 0.017 0.000 1.744 37 C CB -1.262 26.417 27.740 -0.102 0.000 1.989 37 C HN 0.654 nan 8.230 nan 0.000 0.491 38 L N 1.030 122.285 121.223 0.053 0.000 2.046 38 L HA -0.135 4.204 4.340 -0.002 0.000 0.208 38 L C 2.018 178.898 176.870 0.018 0.000 1.077 38 L CA 2.138 57.004 54.840 0.043 0.000 0.747 38 L CB -1.019 41.079 42.059 0.066 0.000 0.896 38 L HN 0.327 nan 8.230 nan 0.000 0.432 39 D N -1.034 119.372 120.400 0.010 0.000 2.178 39 D HA -0.160 4.479 4.640 -0.002 0.000 0.202 39 D C 1.624 177.816 176.300 -0.180 0.000 0.974 39 D CA 1.245 55.190 54.000 -0.092 0.000 0.841 39 D CB -0.058 40.658 40.800 -0.141 0.000 0.953 39 D HN 0.498 nan 8.370 nan 0.000 0.478 40 H N -0.148 118.913 119.070 -0.016 0.000 2.551 40 H HA 0.120 4.675 4.556 -0.002 0.000 0.271 40 H C -0.118 175.187 175.328 -0.038 0.000 0.984 40 H CA 0.041 56.073 56.048 -0.025 0.000 1.164 40 H CB 0.464 30.208 29.762 -0.030 0.000 1.437 40 H HN -0.090 nan 8.280 nan 0.000 0.550 41 D N 0.345 120.771 120.400 0.043 0.000 2.870 41 D HA -0.154 4.485 4.640 -0.002 0.000 0.228 41 D C -0.773 175.509 176.300 -0.030 0.000 1.147 41 D CA 0.384 54.385 54.000 0.002 0.000 0.757 41 D CB -0.958 39.840 40.800 -0.004 0.000 1.091 41 D HN 0.132 nan 8.370 nan 0.000 0.429 42 V N 2.167 122.059 119.914 -0.036 0.000 2.348 42 V HA 0.280 4.399 4.120 -0.002 0.000 0.270 42 V C -1.525 174.488 176.094 -0.134 0.000 1.037 42 V CA -1.010 61.223 62.300 -0.110 0.000 0.872 42 V CB 1.414 33.168 31.823 -0.115 0.000 1.002 42 V HN -0.001 nan 8.190 nan 0.000 0.464 43 P HA 0.333 nan 4.420 nan 0.000 0.271 43 P C -0.696 176.485 177.300 -0.198 0.000 1.216 43 P CA -0.048 62.973 63.100 -0.133 0.000 0.776 43 P CB 1.100 32.751 31.700 -0.081 0.000 0.881 44 I N 3.686 124.143 120.570 -0.189 0.000 2.355 44 I HA 0.271 4.440 4.170 -0.002 0.000 0.288 44 I C 0.458 176.470 176.117 -0.174 0.000 0.999 44 I CA -0.936 60.207 61.300 -0.260 0.000 1.163 44 I CB 1.350 39.130 38.000 -0.367 0.000 1.316 44 I HN 0.090 nan 8.210 nan 0.000 0.454 45 I N 6.327 126.728 120.570 -0.282 0.000 2.294 45 I HA 0.071 4.240 4.170 -0.002 0.000 0.295 45 I C 0.144 176.269 176.117 0.012 0.000 1.098 45 I CA -0.108 61.105 61.300 -0.145 0.000 1.277 45 I CB -0.110 37.748 38.000 -0.236 0.000 1.434 45 I HN 0.605 nan 8.210 nan 0.000 0.498 46 D N 5.200 125.643 120.400 0.071 0.000 2.280 46 D HA 0.235 4.874 4.640 -0.002 0.000 0.243 46 D C 0.382 176.739 176.300 0.095 0.000 1.129 46 D CA -0.323 53.752 54.000 0.124 0.000 0.848 46 D CB 1.894 42.798 40.800 0.173 0.000 1.107 46 D HN 0.484 nan 8.370 nan 0.000 0.471 47 T N 0.291 114.904 114.554 0.097 0.000 2.920 47 T HA 0.355 4.705 4.350 -0.002 0.000 0.292 47 T C 1.001 175.721 174.700 0.032 0.000 1.093 47 T CA -0.813 61.321 62.100 0.057 0.000 0.944 47 T CB 1.298 70.205 68.868 0.066 0.000 1.605 47 T HN 0.226 nan 8.240 nan 0.000 0.590 48 R N -0.044 120.459 120.500 0.006 0.000 2.437 48 R HA 0.302 4.641 4.340 -0.002 0.000 0.257 48 R C -0.085 176.254 176.300 0.065 0.000 0.927 48 R CA -0.041 56.063 56.100 0.006 0.000 1.078 48 R CB -0.482 29.787 30.300 -0.052 0.000 1.161 48 R HN 0.747 nan 8.270 nan 0.000 0.529 49 H N -0.338 118.716 119.070 -0.027 0.000 3.123 49 H HA 0.138 4.693 4.556 -0.001 0.000 0.346 49 H C -0.056 175.267 175.328 -0.008 0.000 1.138 49 H CA -0.258 55.780 56.048 -0.017 0.000 1.273 49 H CB 1.577 31.325 29.762 -0.022 0.000 1.926 49 H HN -0.220 nan 8.280 nan 0.000 0.524 50 E N 2.894 123.212 120.200 0.197 0.000 2.160 50 E HA -0.096 4.253 4.350 -0.002 0.000 0.195 50 E C 1.951 178.638 176.600 0.145 0.000 0.991 50 E CA 1.650 58.139 56.400 0.149 0.000 0.810 50 E CB 0.148 29.887 29.700 0.065 0.000 0.742 50 E HN 0.620 nan 8.360 nan 0.000 0.466 51 A N 0.997 123.968 122.820 0.251 0.000 1.908 51 A HA -0.152 4.167 4.320 -0.002 0.000 0.218 51 A C 2.374 179.881 177.584 -0.128 0.000 1.181 51 A CA 1.922 53.911 52.037 -0.081 0.000 0.627 51 A CB -0.856 18.014 19.000 -0.217 0.000 0.818 51 A HN 0.311 nan 8.150 nan 0.000 0.445 52 A N -0.323 122.488 122.820 -0.016 0.000 1.930 52 A HA 0.214 4.533 4.320 -0.002 0.000 0.217 52 A C 2.486 180.077 177.584 0.012 0.000 1.175 52 A CA 1.915 53.961 52.037 0.014 0.000 0.627 52 A CB -0.945 18.038 19.000 -0.028 0.000 0.815 52 A HN 1.031 nan 8.150 nan 0.000 0.443 53 A N -0.265 122.579 122.820 0.040 0.000 1.877 53 A HA 0.096 4.415 4.320 -0.002 0.000 0.216 53 A C 2.438 180.013 177.584 -0.015 0.000 1.186 53 A CA 2.019 54.096 52.037 0.066 0.000 0.620 53 A CB -1.477 17.595 19.000 0.119 0.000 0.822 53 A HN 0.719 nan 8.150 nan 0.000 0.443 54 G N -1.095 107.690 108.800 -0.025 0.000 2.459 54 G HA2 -0.289 3.670 3.960 -0.002 0.000 0.217 54 G HA3 -0.289 3.670 3.960 -0.002 0.000 0.217 54 G C 1.459 176.301 174.900 -0.096 0.000 1.183 54 G CA 1.169 46.256 45.100 -0.022 0.000 0.776 54 G HN 0.662 nan 8.290 nan 0.000 0.552 55 H N 0.807 119.863 119.070 -0.023 0.000 2.456 55 H HA 0.049 4.605 4.556 -0.001 0.000 0.296 55 H C 2.838 178.056 175.328 -0.183 0.000 1.079 55 H CA 1.039 57.042 56.048 -0.075 0.000 1.322 55 H CB -0.471 29.251 29.762 -0.067 0.000 1.388 55 H HN 0.409 nan 8.280 nan 0.000 0.538 56 A N 1.088 123.796 122.820 -0.187 0.000 1.898 56 A HA -0.002 4.317 4.320 -0.002 0.000 0.216 56 A C 2.715 179.791 177.584 -0.846 0.000 1.181 56 A CA 1.405 53.123 52.037 -0.532 0.000 0.620 56 A CB -0.704 17.896 19.000 -0.666 0.000 0.819 56 A HN 0.410 nan 8.150 nan 0.000 0.442 57 A N 0.021 122.437 122.820 -0.673 0.000 1.908 57 A HA -0.211 4.108 4.320 -0.002 0.000 0.218 57 A C 1.900 179.371 177.584 -0.187 0.000 1.181 57 A CA 1.760 53.549 52.037 -0.413 0.000 0.627 57 A CB -0.566 18.267 19.000 -0.278 0.000 0.818 57 A HN 0.648 nan 8.150 nan 0.000 0.445 58 E N -0.791 119.329 120.200 -0.134 0.000 2.038 58 E HA -0.151 4.198 4.350 -0.002 0.000 0.195 58 E C 2.209 178.775 176.600 -0.056 0.000 1.000 58 E CA 0.930 57.305 56.400 -0.042 0.000 0.803 58 E CB -0.449 29.269 29.700 0.030 0.000 0.750 58 E HN 0.608 nan 8.360 nan 0.000 0.448 59 G N 0.414 109.154 108.800 -0.100 0.000 2.446 59 G HA2 -0.319 3.641 3.960 -0.002 0.000 0.217 59 G HA3 -0.319 3.641 3.960 -0.002 0.000 0.217 59 G C 1.412 176.279 174.900 -0.055 0.000 1.168 59 G CA 0.991 46.032 45.100 -0.098 0.000 0.771 59 G HN 0.288 nan 8.290 nan 0.000 0.551 60 Y N 1.946 122.124 120.300 -0.203 0.000 2.128 60 Y HA -0.078 4.471 4.550 -0.001 0.000 0.284 60 Y C 2.971 178.841 175.900 -0.050 0.000 1.154 60 Y CA 1.821 59.861 58.100 -0.100 0.000 1.149 60 Y CB -0.311 38.122 38.460 -0.044 0.000 0.976 60 Y HN 0.262 nan 8.280 nan 0.000 0.505 61 A N 0.493 123.366 122.820 0.089 0.000 1.858 61 A HA -0.205 4.114 4.320 -0.002 0.000 0.216 61 A C 2.263 179.816 177.584 -0.052 0.000 1.190 61 A CA 1.977 54.026 52.037 0.020 0.000 0.617 61 A CB -0.682 18.347 19.000 0.048 0.000 0.827 61 A HN 0.542 nan 8.150 nan 0.000 0.443 62 R N -0.679 119.791 120.500 -0.051 0.000 2.081 62 R HA -0.044 4.295 4.340 -0.002 0.000 0.235 62 R C 2.350 178.604 176.300 -0.077 0.000 1.131 62 R CA 1.285 57.347 56.100 -0.062 0.000 0.960 62 R CB -0.377 29.880 30.300 -0.071 0.000 0.856 62 R HN 0.512 nan 8.270 nan 0.000 0.436 63 A N -0.069 122.693 122.820 -0.096 0.000 2.021 63 A HA 0.061 4.380 4.320 -0.002 0.000 0.216 63 A C 1.979 179.487 177.584 -0.126 0.000 1.163 63 A CA 1.263 53.240 52.037 -0.098 0.000 0.676 63 A CB -0.120 18.824 19.000 -0.094 0.000 0.818 63 A HN 0.435 nan 8.150 nan 0.000 0.453 64 G N -2.161 106.525 108.800 -0.191 0.000 3.126 64 G HA2 0.410 4.369 3.960 -0.002 0.000 0.224 64 G HA3 0.410 4.369 3.960 -0.002 0.000 0.224 64 G C 0.720 175.530 174.900 -0.150 0.000 1.142 64 G CA 0.563 45.529 45.100 -0.223 0.000 0.759 64 G HN 1.445 nan 8.290 nan 0.000 0.550 65 A N 0.394 123.150 122.820 -0.106 0.000 2.466 65 A HA -0.074 4.245 4.320 -0.002 0.000 0.295 65 A C 0.728 178.280 177.584 -0.054 0.000 1.465 65 A CA 1.726 53.724 52.037 -0.064 0.000 0.744 65 A CB -1.979 16.992 19.000 -0.048 0.000 1.098 65 A HN 0.949 nan 8.150 nan 0.000 0.402 66 K N -1.604 118.766 120.400 -0.049 0.000 2.373 66 K HA 0.811 5.130 4.320 -0.002 0.000 0.274 66 K C -0.598 176.030 176.600 0.047 0.000 1.024 66 K CA -1.014 55.269 56.287 -0.007 0.000 0.867 66 K CB 0.621 33.109 32.500 -0.020 0.000 1.524 66 K HN 0.796 nan 8.250 nan 0.000 0.406 67 L N 1.003 122.280 121.223 0.091 0.000 2.349 67 L HA 0.481 4.820 4.340 -0.002 0.000 0.275 67 L C -0.112 176.879 176.870 0.201 0.000 1.115 67 L CA 0.642 55.549 54.840 0.111 0.000 0.820 67 L CB 1.183 43.294 42.059 0.087 0.000 1.135 67 L HN 0.768 nan 8.230 nan 0.000 0.445 68 G N 4.144 113.027 108.800 0.139 0.000 2.388 68 G HA2 0.609 4.568 3.960 -0.002 0.000 0.330 68 G HA3 0.609 4.568 3.960 -0.002 0.000 0.330 68 G C -1.637 173.254 174.900 -0.015 0.000 1.142 68 G CA -0.483 44.693 45.100 0.126 0.000 0.908 68 G HN 0.552 nan 8.290 nan 0.000 0.473 69 V N 1.040 120.941 119.914 -0.022 0.000 2.443 69 V HA 0.714 4.833 4.120 -0.002 0.000 0.293 69 V C 0.228 176.278 176.094 -0.074 0.000 1.021 69 V CA -0.815 61.439 62.300 -0.077 0.000 0.848 69 V CB 1.104 32.897 31.823 -0.050 0.000 0.998 69 V HN 1.121 nan 8.190 nan 0.000 0.424 70 A N 5.387 128.093 122.820 -0.191 0.000 2.340 70 A HA 0.928 5.247 4.320 -0.002 0.000 0.331 70 A C -0.979 176.596 177.584 -0.014 0.000 1.140 70 A CA -0.622 51.344 52.037 -0.118 0.000 0.801 70 A CB 1.493 20.319 19.000 -0.290 0.000 1.234 70 A HN 0.822 nan 8.150 nan 0.000 0.469 71 L N 3.673 124.919 121.223 0.040 0.000 2.406 71 L HA 0.637 4.976 4.340 -0.002 0.000 0.270 71 L C -1.091 175.842 176.870 0.104 0.000 0.982 71 L CA -0.669 54.203 54.840 0.054 0.000 0.843 71 L CB 1.499 43.546 42.059 -0.021 0.000 1.225 71 L HN 0.761 nan 8.230 nan 0.000 0.412 72 V N 0.640 120.623 119.914 0.115 0.000 3.040 72 V HA 0.647 4.766 4.120 -0.002 0.000 0.312 72 V C -0.196 175.931 176.094 0.055 0.000 1.115 72 V CA -0.499 61.861 62.300 0.099 0.000 0.998 72 V CB 1.891 33.782 31.823 0.114 0.000 1.042 72 V HN 0.670 nan 8.190 nan 0.000 0.433 73 T N 1.371 115.923 114.554 -0.003 0.000 2.810 73 T HA 0.714 5.063 4.350 -0.002 0.000 0.277 73 T C 0.526 175.153 174.700 -0.121 0.000 0.973 73 T CA 0.339 62.385 62.100 -0.090 0.000 0.949 73 T CB 1.115 69.887 68.868 -0.160 0.000 1.075 73 T HN 1.703 nan 8.240 nan 0.000 0.537 74 A N 0.372 123.017 122.820 -0.292 0.000 2.448 74 A HA 0.557 4.876 4.320 -0.002 0.000 0.239 74 A C 1.426 178.883 177.584 -0.213 0.000 1.080 74 A CA 0.461 52.313 52.037 -0.308 0.000 0.779 74 A CB -1.143 17.506 19.000 -0.585 0.000 1.026 74 A HN 1.788 nan 8.150 nan 0.000 0.499 75 G N 1.126 109.859 108.800 -0.110 0.000 2.595 75 G HA2 -0.130 3.829 3.960 -0.002 0.000 0.297 75 G HA3 -0.130 3.829 3.960 -0.002 0.000 0.297 75 G C 1.488 176.401 174.900 0.021 0.000 1.181 75 G CA 1.069 46.140 45.100 -0.047 0.000 0.963 75 G HN 1.987 nan 8.290 nan 0.000 0.541 76 G N 0.890 109.674 108.800 -0.027 0.000 2.448 76 G HA2 0.260 4.219 3.960 -0.002 0.000 0.219 76 G HA3 0.260 4.219 3.960 -0.002 0.000 0.219 76 G C 1.861 176.739 174.900 -0.037 0.000 1.127 76 G CA 2.027 47.109 45.100 -0.031 0.000 0.766 76 G HN 1.749 nan 8.290 nan 0.000 0.552 77 G N 0.795 109.575 108.800 -0.034 0.000 2.459 77 G HA2 -0.255 3.704 3.960 -0.002 0.000 0.217 77 G HA3 -0.255 3.704 3.960 -0.002 0.000 0.217 77 G C 1.591 176.508 174.900 0.027 0.000 1.183 77 G CA 1.054 46.144 45.100 -0.016 0.000 0.776 77 G HN 0.404 nan 8.290 nan 0.000 0.552 78 F N 2.610 122.517 119.950 -0.072 0.000 2.113 78 F HA -0.105 4.421 4.527 -0.001 0.000 0.297 78 F C 3.011 178.768 175.800 -0.071 0.000 1.103 78 F CA 2.438 60.397 58.000 -0.068 0.000 1.248 78 F CB -0.709 38.240 39.000 -0.085 0.000 0.999 78 F HN 0.215 nan 8.300 nan 0.000 0.475 79 T N -1.666 112.749 114.554 -0.232 0.000 2.915 79 T HA -0.153 4.196 4.350 -0.002 0.000 0.269 79 T C 1.653 176.189 174.700 -0.274 0.000 1.071 79 T CA 1.378 63.277 62.100 -0.335 0.000 1.132 79 T CB -0.709 68.111 68.868 -0.081 0.000 0.878 79 T HN 0.243 nan 8.240 nan 0.000 0.479 80 N N 1.917 120.521 118.700 -0.160 0.000 2.512 80 N HA 0.185 4.924 4.740 -0.002 0.000 0.183 80 N C 1.660 177.119 175.510 -0.085 0.000 1.073 80 N CA 0.942 53.960 53.050 -0.052 0.000 0.911 80 N CB -0.340 38.140 38.487 -0.012 0.000 0.964 80 N HN 0.689 nan 8.380 nan 0.000 0.447 81 A N -0.392 122.289 122.820 -0.230 0.000 2.275 81 A HA 0.161 4.480 4.320 -0.002 0.000 0.212 81 A C 2.055 179.412 177.584 -0.379 0.000 1.201 81 A CA -0.018 51.877 52.037 -0.237 0.000 0.843 81 A CB 0.069 18.977 19.000 -0.154 0.000 0.873 81 A HN 0.046 nan 8.150 nan 0.000 0.492 82 V N -0.281 119.381 119.914 -0.420 0.000 2.548 82 V HA -0.168 3.951 4.120 -0.002 0.000 0.249 82 V C 2.690 178.633 176.094 -0.252 0.000 1.055 82 V CA 2.511 64.559 62.300 -0.419 0.000 1.065 82 V CB -0.708 30.875 31.823 -0.400 0.000 0.681 82 V HN 0.597 nan 8.190 nan 0.000 0.462 83 T N 0.343 114.796 114.554 -0.168 0.000 2.737 83 T HA -0.090 4.259 4.350 -0.002 0.000 0.265 83 T C -0.086 174.607 174.700 -0.011 0.000 1.038 83 T CA 1.730 63.795 62.100 -0.059 0.000 1.144 83 T CB -1.204 67.669 68.868 0.007 0.000 0.866 83 T HN 0.425 nan 8.240 nan 0.000 0.434 84 P HA -0.055 nan 4.420 nan 0.000 0.216 84 P C 1.460 178.794 177.300 0.056 0.000 1.154 84 P CA 1.061 64.112 63.100 -0.081 0.000 0.865 84 P CB -0.245 31.325 31.700 -0.217 0.000 0.789 85 I N -0.791 119.637 120.570 -0.236 0.000 2.179 85 I HA -0.268 3.901 4.170 -0.002 0.000 0.242 85 I C 2.368 178.472 176.117 -0.022 0.000 1.088 85 I CA 1.678 62.774 61.300 -0.339 0.000 1.357 85 I CB -0.927 36.674 38.000 -0.665 0.000 1.051 85 I HN -0.080 nan 8.210 nan 0.000 0.409 86 A N 0.577 123.387 122.820 -0.018 0.000 1.898 86 A HA -0.242 4.077 4.320 -0.002 0.000 0.216 86 A C 2.198 179.899 177.584 0.195 0.000 1.181 86 A CA 1.899 53.995 52.037 0.098 0.000 0.620 86 A CB -0.934 18.090 19.000 0.041 0.000 0.819 86 A HN 0.508 nan 8.150 nan 0.000 0.442 87 N N 0.238 119.030 118.700 0.153 0.000 2.069 87 N HA -0.171 4.568 4.740 -0.002 0.000 0.191 87 N C 1.966 177.567 175.510 0.151 0.000 1.031 87 N CA 1.466 54.606 53.050 0.149 0.000 0.852 87 N CB -0.194 38.395 38.487 0.170 0.000 1.018 87 N HN 0.391 nan 8.380 nan 0.000 0.423 88 A N 1.453 124.391 122.820 0.198 0.000 1.933 88 A HA -0.178 4.141 4.320 -0.002 0.000 0.218 88 A C 2.025 179.736 177.584 0.210 0.000 1.175 88 A CA 1.029 53.186 52.037 0.200 0.000 0.628 88 A CB -1.260 17.913 19.000 0.289 0.000 0.814 88 A HN 0.736 nan 8.150 nan 0.000 0.444 89 W N 0.655 121.994 121.300 0.065 0.000 2.333 89 W HA -0.180 4.479 4.660 -0.001 0.000 0.316 89 W C 1.443 177.990 176.519 0.048 0.000 1.215 89 W CA 1.755 59.134 57.345 0.057 0.000 1.278 89 W CB -0.336 29.150 29.460 0.044 0.000 1.154 89 W HN 0.294 nan 8.180 nan 0.000 0.486 90 L N 0.539 121.743 121.223 -0.032 0.000 2.291 90 L HA -0.135 4.204 4.340 -0.002 0.000 0.214 90 L C 1.440 178.183 176.870 -0.211 0.000 1.120 90 L CA 1.027 55.779 54.840 -0.146 0.000 0.799 90 L CB -0.722 41.380 42.059 0.072 0.000 0.925 90 L HN -0.186 nan 8.230 nan 0.000 0.446 91 D N 0.169 120.490 120.400 -0.132 0.000 2.350 91 D HA 0.041 4.680 4.640 -0.002 0.000 0.213 91 D C 0.268 176.486 176.300 -0.137 0.000 1.031 91 D CA 0.042 53.949 54.000 -0.156 0.000 0.861 91 D CB 0.185 40.936 40.800 -0.081 0.000 0.926 91 D HN 0.013 nan 8.370 nan 0.000 0.520 92 R N 0.189 120.610 120.500 -0.130 0.000 3.205 92 R HA -0.148 4.191 4.340 -0.002 0.000 0.249 92 R C -0.237 176.044 176.300 -0.032 0.000 0.937 92 R CA 0.811 56.854 56.100 -0.096 0.000 0.641 92 R CB -2.551 27.674 30.300 -0.125 0.000 1.114 92 R HN 0.183 nan 8.270 nan 0.000 0.451 93 T N -0.538 114.026 114.554 0.018 0.000 2.807 93 T HA 0.568 4.917 4.350 -0.002 0.000 0.279 93 T C -2.634 172.112 174.700 0.078 0.000 0.993 93 T CA -2.362 59.758 62.100 0.035 0.000 0.970 93 T CB 1.813 70.694 68.868 0.021 0.000 0.950 93 T HN -0.033 nan 8.240 nan 0.000 0.441 94 P HA 0.388 nan 4.420 nan 0.000 0.274 94 P C -1.015 176.323 177.300 0.065 0.000 1.470 94 P CA -0.352 62.794 63.100 0.077 0.000 1.001 94 P CB 0.506 32.239 31.700 0.056 0.000 1.332 95 V N 5.161 125.122 119.914 0.079 0.000 2.588 95 V HA 0.283 4.403 4.120 -0.002 0.000 0.304 95 V C 0.236 176.324 176.094 -0.009 0.000 1.042 95 V CA -0.881 61.392 62.300 -0.046 0.000 0.877 95 V CB 2.738 34.427 31.823 -0.224 0.000 0.996 95 V HN 0.423 nan 8.190 nan 0.000 0.425 96 L N 5.126 126.311 121.223 -0.063 0.000 2.261 96 L HA 0.522 4.861 4.340 -0.002 0.000 0.289 96 L C -1.189 175.629 176.870 -0.087 0.000 1.059 96 L CA -0.180 54.672 54.840 0.020 0.000 0.816 96 L CB 0.477 42.560 42.059 0.040 0.000 1.191 96 L HN 0.552 nan 8.230 nan 0.000 0.431 97 F N 5.709 125.705 119.950 0.075 0.000 2.371 97 F HA 0.341 4.867 4.527 -0.002 0.000 0.363 97 F C 0.122 175.959 175.800 0.062 0.000 1.122 97 F CA -0.386 57.654 58.000 0.066 0.000 1.129 97 F CB 0.965 40.008 39.000 0.072 0.000 1.173 97 F HN 0.264 nan 8.300 nan 0.000 0.489 98 L N 3.623 124.954 121.223 0.180 0.000 2.272 98 L HA 0.478 4.817 4.340 -0.002 0.000 0.289 98 L C 0.216 177.167 176.870 0.134 0.000 1.032 98 L CA -0.304 54.611 54.840 0.125 0.000 0.810 98 L CB 1.560 43.659 42.059 0.066 0.000 1.205 98 L HN 0.518 nan 8.230 nan 0.000 0.422 99 T N 2.047 116.667 114.554 0.109 0.000 2.863 99 T HA 0.651 5.000 4.350 -0.002 0.000 0.285 99 T C 0.177 174.892 174.700 0.024 0.000 1.009 99 T CA -0.374 61.779 62.100 0.089 0.000 0.989 99 T CB 1.561 70.508 68.868 0.131 0.000 1.004 99 T HN 0.676 nan 8.240 nan 0.000 0.455 100 G N 1.867 110.670 108.800 0.004 0.000 2.562 100 G HA2 0.595 4.554 3.960 -0.002 0.000 0.275 100 G HA3 0.595 4.554 3.960 -0.002 0.000 0.275 100 G C -0.399 174.459 174.900 -0.071 0.000 1.196 100 G CA -0.023 45.066 45.100 -0.019 0.000 0.908 100 G HN 1.249 nan 8.290 nan 0.000 0.524 101 S N -1.771 113.910 115.700 -0.033 0.000 2.636 101 S HA 0.671 5.140 4.470 -0.002 0.000 0.268 101 S C 0.003 174.653 174.600 0.085 0.000 1.159 101 S CA -0.228 57.939 58.200 -0.054 0.000 0.815 101 S CB 0.897 64.045 63.200 -0.087 0.000 1.130 101 S HN 1.496 nan 8.310 nan 0.000 0.471 102 G N 0.352 109.195 108.800 0.073 0.000 2.491 102 G HA2 0.510 4.469 3.960 -0.002 0.000 0.238 102 G HA3 0.510 4.469 3.960 -0.002 0.000 0.238 102 G C 0.495 175.507 174.900 0.187 0.000 1.277 102 G CA -0.171 45.042 45.100 0.189 0.000 0.851 102 G HN 1.432 nan 8.290 nan 0.000 0.573 103 A N 1.525 124.489 122.820 0.240 0.000 2.531 103 A HA 0.256 4.575 4.320 -0.002 0.000 0.236 103 A C 1.588 179.207 177.584 0.059 0.000 1.062 103 A CA -0.244 51.872 52.037 0.132 0.000 0.760 103 A CB 0.177 19.211 19.000 0.058 0.000 0.995 103 A HN 0.727 nan 8.150 nan 0.000 0.501 104 L N 2.180 123.420 121.223 0.029 0.000 2.017 104 L HA -0.094 4.245 4.340 -0.002 0.000 0.208 104 L C 1.901 178.769 176.870 -0.004 0.000 1.073 104 L CA 1.319 56.162 54.840 0.006 0.000 0.745 104 L CB -0.614 41.444 42.059 -0.002 0.000 0.894 104 L HN 0.910 nan 8.230 nan 0.000 0.432 105 R N 1.429 121.919 120.500 -0.015 0.000 2.784 105 R HA -0.053 4.286 4.340 -0.002 0.000 0.266 105 R C 0.267 176.558 176.300 -0.015 0.000 1.044 105 R CA 0.383 56.469 56.100 -0.024 0.000 1.151 105 R CB -0.236 30.038 30.300 -0.043 0.000 1.037 105 R HN 0.397 nan 8.270 nan 0.000 0.478 106 D N -1.749 118.643 120.400 -0.013 0.000 2.860 106 D HA -0.288 4.351 4.640 -0.002 0.000 0.229 106 D C -0.678 175.630 176.300 0.014 0.000 1.169 106 D CA 1.597 55.597 54.000 -0.001 0.000 0.737 106 D CB -1.458 39.340 40.800 -0.003 0.000 1.080 106 D HN 0.821 nan 8.370 nan 0.000 0.424 107 D N -0.102 120.303 120.400 0.009 0.000 2.548 107 D HA 0.219 4.858 4.640 -0.002 0.000 0.231 107 D C 0.656 176.958 176.300 0.005 0.000 1.142 107 D CA 1.180 55.185 54.000 0.007 0.000 0.866 107 D CB 0.411 41.210 40.800 -0.003 0.000 1.190 107 D HN 0.351 nan 8.370 nan 0.000 0.469 108 E N 0.972 121.174 120.200 0.004 0.000 2.416 108 E HA -0.208 4.141 4.350 -0.002 0.000 0.249 108 E C -0.077 176.526 176.600 0.005 0.000 1.124 108 E CA 1.292 57.693 56.400 0.001 0.000 0.732 108 E CB -1.585 28.113 29.700 -0.004 0.000 1.286 108 E HN 0.480 nan 8.360 nan 0.000 0.394 109 T N -2.798 111.762 114.554 0.011 0.000 3.182 109 T HA 0.228 4.577 4.350 -0.002 0.000 0.277 109 T C 0.442 175.152 174.700 0.017 0.000 1.013 109 T CA 0.082 62.189 62.100 0.013 0.000 0.900 109 T CB 0.113 68.990 68.868 0.015 0.000 1.098 109 T HN 0.174 nan 8.240 nan 0.000 0.543 110 N N 1.184 119.894 118.700 0.016 0.000 2.727 110 N HA -0.128 4.611 4.740 -0.002 0.000 0.249 110 N C -0.154 175.372 175.510 0.025 0.000 1.048 110 N CA 1.264 54.323 53.050 0.016 0.000 0.714 110 N CB -1.653 36.840 38.487 0.011 0.000 0.959 110 N HN 0.641 nan 8.380 nan 0.000 0.544 111 T N -0.325 114.252 114.554 0.038 0.000 2.923 111 T HA 0.515 4.864 4.350 -0.002 0.000 0.281 111 T C 0.263 175.001 174.700 0.064 0.000 0.995 111 T CA -0.779 61.355 62.100 0.057 0.000 0.985 111 T CB 0.994 69.910 68.868 0.079 0.000 1.114 111 T HN 0.189 nan 8.240 nan 0.000 0.548 112 L N 3.048 124.321 121.223 0.085 0.000 2.628 112 L HA 0.095 4.434 4.340 -0.002 0.000 0.274 112 L C 1.060 177.969 176.870 0.066 0.000 1.209 112 L CA 1.275 56.162 54.840 0.078 0.000 0.930 112 L CB -0.524 41.599 42.059 0.106 0.000 1.183 112 L HN 0.940 nan 8.230 nan 0.000 0.492 113 Q N 1.262 121.060 119.800 -0.002 0.000 2.348 113 Q HA -0.274 4.065 4.340 -0.002 0.000 0.221 113 Q C 0.195 176.151 176.000 -0.073 0.000 0.735 113 Q CA 1.105 56.861 55.803 -0.079 0.000 1.351 113 Q CB -1.715 26.891 28.738 -0.219 0.000 1.640 113 Q HN 0.870 nan 8.270 nan 0.000 0.667 114 A N -0.745 122.070 122.820 -0.009 0.000 2.256 114 A HA 0.750 5.069 4.320 -0.002 0.000 0.318 114 A C 1.341 178.915 177.584 -0.016 0.000 1.103 114 A CA 0.562 52.597 52.037 -0.004 0.000 0.860 114 A CB 0.959 19.985 19.000 0.043 0.000 1.182 114 A HN 0.829 nan 8.150 nan 0.000 0.501 115 G N -1.145 107.640 108.800 -0.025 0.000 2.195 115 G HA2 -0.121 3.838 3.960 -0.002 0.000 0.224 115 G HA3 -0.121 3.838 3.960 -0.002 0.000 0.224 115 G C 0.236 175.113 174.900 -0.038 0.000 0.990 115 G CA 0.145 45.230 45.100 -0.026 0.000 0.639 115 G HN 1.820 nan 8.290 nan 0.000 0.514 116 I N -0.425 120.114 120.570 -0.052 0.000 2.353 116 I HA 0.603 4.772 4.170 -0.002 0.000 0.293 116 I C -0.809 175.244 176.117 -0.107 0.000 0.992 116 I CA -0.851 60.416 61.300 -0.056 0.000 1.268 116 I CB 1.538 39.527 38.000 -0.019 0.000 1.387 116 I HN -0.060 nan 8.210 nan 0.000 0.478 117 D N 6.081 126.422 120.400 -0.099 0.000 2.489 117 D HA 0.049 4.688 4.640 -0.002 0.000 0.237 117 D C 1.119 177.297 176.300 -0.205 0.000 1.212 117 D CA 0.199 54.117 54.000 -0.137 0.000 1.058 117 D CB 0.553 41.295 40.800 -0.097 0.000 1.098 117 D HN 0.608 nan 8.370 nan 0.000 0.509 118 Q N 0.988 120.570 119.800 -0.365 0.000 2.124 118 Q HA -0.122 4.217 4.340 -0.002 0.000 0.202 118 Q C 2.045 177.704 176.000 -0.568 0.000 0.977 118 Q CA 1.047 56.393 55.803 -0.762 0.000 0.850 118 Q CB 0.218 28.210 28.738 -1.244 0.000 0.901 118 Q HN 0.357 nan 8.270 nan 0.000 0.429 119 V N 1.148 120.833 119.914 -0.382 0.000 2.343 119 V HA -0.288 3.831 4.120 -0.002 0.000 0.247 119 V C 2.312 178.302 176.094 -0.174 0.000 1.051 119 V CA 1.829 63.968 62.300 -0.268 0.000 1.036 119 V CB -1.008 30.657 31.823 -0.262 0.000 0.654 119 V HN 0.417 nan 8.190 nan 0.000 0.451 120 A N -0.685 122.049 122.820 -0.144 0.000 1.933 120 A HA -0.232 4.087 4.320 -0.002 0.000 0.218 120 A C 2.252 179.797 177.584 -0.065 0.000 1.175 120 A CA 2.144 54.125 52.037 -0.093 0.000 0.628 120 A CB -0.482 18.473 19.000 -0.076 0.000 0.814 120 A HN 0.492 nan 8.150 nan 0.000 0.444 121 M N -0.809 118.770 119.600 -0.034 0.000 2.159 121 M HA -0.157 4.323 4.480 -0.002 0.000 0.263 121 M C 2.376 178.694 176.300 0.030 0.000 1.063 121 M CA 1.537 56.864 55.300 0.043 0.000 1.110 121 M CB -0.309 32.409 32.600 0.197 0.000 1.374 121 M HN 0.501 nan 8.290 nan 0.000 0.411 122 A N -0.248 122.593 122.820 0.035 0.000 2.081 122 A HA 0.258 4.577 4.320 -0.002 0.000 0.214 122 A C 2.300 179.795 177.584 -0.148 0.000 1.158 122 A CA 1.002 53.018 52.037 -0.035 0.000 0.724 122 A CB -0.567 18.448 19.000 0.025 0.000 0.826 122 A HN 0.436 nan 8.150 nan 0.000 0.463 123 A N 1.285 124.023 122.820 -0.135 0.000 1.903 123 A HA -0.148 4.171 4.320 -0.002 0.000 0.219 123 A C 0.134 177.580 177.584 -0.231 0.000 1.191 123 A CA 2.180 54.125 52.037 -0.152 0.000 0.638 123 A CB -1.828 17.111 19.000 -0.101 0.000 0.823 123 A HN 0.472 nan 8.150 nan 0.000 0.451 124 P HA 0.017 nan 4.420 nan 0.000 0.234 124 P C 0.663 177.575 177.300 -0.646 0.000 1.167 124 P CA 0.871 63.791 63.100 -0.300 0.000 0.763 124 P CB -0.135 31.458 31.700 -0.179 0.000 0.835 125 I N -4.727 115.387 120.570 -0.760 0.000 3.621 125 I HA 0.355 4.524 4.170 -0.002 0.000 0.325 125 I C -0.543 175.043 176.117 -0.885 0.000 1.554 125 I CA -0.554 60.026 61.300 -1.199 0.000 1.053 125 I CB 0.289 37.953 38.000 -0.560 0.000 1.302 125 I HN -0.253 nan 8.210 nan 0.000 0.518 126 T N -3.466 110.642 114.554 -0.743 0.000 2.896 126 T HA 0.456 4.805 4.350 -0.002 0.000 0.297 126 T C 0.370 175.061 174.700 -0.015 0.000 1.108 126 T CA -0.795 61.193 62.100 -0.188 0.000 1.004 126 T CB 2.708 71.544 68.868 -0.054 0.000 1.159 126 T HN 0.093 nan 8.240 nan 0.000 0.499 127 K N -0.457 120.135 120.400 0.321 0.000 2.097 127 K HA 0.085 4.404 4.320 -0.002 0.000 0.205 127 K C -0.163 176.652 176.600 0.358 0.000 1.050 127 K CA 0.994 57.506 56.287 0.375 0.000 0.938 127 K CB 0.117 32.827 32.500 0.349 0.000 0.718 127 K HN 0.637 nan 8.250 nan 0.000 0.442 128 W N -0.885 120.468 121.300 0.089 0.000 3.363 128 W HA 0.476 5.135 4.660 -0.002 0.000 0.306 128 W C -2.161 174.397 176.519 0.065 0.000 1.253 128 W CA -0.854 56.530 57.345 0.065 0.000 1.195 128 W CB 1.446 30.945 29.460 0.066 0.000 1.366 128 W HN -0.150 nan 8.180 nan 0.000 0.551 129 A N 3.869 126.369 122.820 -0.534 0.000 2.465 129 A HA 0.654 4.973 4.320 -0.002 0.000 0.292 129 A C -2.240 174.943 177.584 -0.669 0.000 1.041 129 A CA -0.368 51.361 52.037 -0.514 0.000 0.718 129 A CB 1.365 20.218 19.000 -0.246 0.000 1.266 129 A HN 0.896 nan 8.150 nan 0.000 0.403 130 H N 0.359 118.961 119.070 -0.780 0.000 3.064 130 H HA 0.672 5.227 4.556 -0.002 0.000 0.352 130 H C -0.872 174.246 175.328 -0.350 0.000 1.260 130 H CA -0.410 55.266 56.048 -0.620 0.000 1.160 130 H CB 1.432 30.641 29.762 -0.922 0.000 1.879 130 H HN 0.749 nan 8.280 nan 0.000 0.544 131 R N 3.413 123.501 120.500 -0.687 0.000 2.387 131 R HA 0.497 4.836 4.340 -0.002 0.000 0.314 131 R C -1.159 175.016 176.300 -0.208 0.000 0.958 131 R CA -0.844 55.039 56.100 -0.362 0.000 0.846 131 R CB 1.085 31.193 30.300 -0.320 0.000 1.147 131 R HN 0.392 nan 8.270 nan 0.000 0.447 132 V N 6.273 126.181 119.914 -0.011 0.000 2.555 132 V HA 0.047 4.166 4.120 -0.002 0.000 0.286 132 V C 1.134 177.274 176.094 0.077 0.000 1.044 132 V CA 0.070 62.438 62.300 0.113 0.000 1.026 132 V CB 1.456 33.352 31.823 0.123 0.000 0.981 132 V HN 0.865 nan 8.190 nan 0.000 0.480 133 M N 3.115 122.801 119.600 0.143 0.000 2.461 133 M HA 0.380 4.859 4.480 -0.002 0.000 0.255 133 M C 0.503 176.803 176.300 0.000 0.000 1.137 133 M CA 0.481 55.831 55.300 0.083 0.000 1.086 133 M CB 0.492 33.170 32.600 0.131 0.000 1.356 133 M HN 0.731 nan 8.290 nan 0.000 0.487 134 A N -0.425 122.340 122.820 -0.090 0.000 2.488 134 A HA 0.550 4.869 4.320 -0.002 0.000 0.298 134 A C 0.772 178.219 177.584 -0.229 0.000 1.044 134 A CA -0.450 51.415 52.037 -0.287 0.000 0.693 134 A CB 0.654 19.280 19.000 -0.624 0.000 1.272 134 A HN 0.172 nan 8.150 nan 0.000 0.402 135 T N 0.958 115.435 114.554 -0.128 0.000 2.737 135 T HA -0.149 4.200 4.350 -0.002 0.000 0.269 135 T C 1.445 176.119 174.700 -0.043 0.000 1.040 135 T CA 2.445 64.513 62.100 -0.053 0.000 1.142 135 T CB -0.162 68.687 68.868 -0.031 0.000 0.861 135 T HN 0.771 nan 8.240 nan 0.000 0.456 136 E N 0.541 120.682 120.200 -0.099 0.000 2.209 136 E HA -0.114 4.235 4.350 -0.002 0.000 0.196 136 E C 1.734 178.391 176.600 0.094 0.000 0.993 136 E CA 1.034 57.419 56.400 -0.025 0.000 0.819 136 E CB -0.345 29.332 29.700 -0.038 0.000 0.745 136 E HN 0.732 nan 8.360 nan 0.000 0.477 137 H N -0.954 118.144 119.070 0.046 0.000 2.548 137 H HA 0.150 4.706 4.556 -0.001 0.000 0.268 137 H C 1.714 177.080 175.328 0.064 0.000 0.975 137 H CA -0.084 55.999 56.048 0.057 0.000 1.195 137 H CB 0.196 30.003 29.762 0.075 0.000 1.397 137 H HN 0.103 nan 8.280 nan 0.000 0.572 138 I N 1.354 122.021 120.570 0.161 0.000 2.118 138 I HA -0.224 3.945 4.170 -0.002 0.000 0.241 138 I C -0.613 175.564 176.117 0.101 0.000 1.070 138 I CA 1.316 62.688 61.300 0.119 0.000 1.327 138 I CB -0.975 37.073 38.000 0.080 0.000 1.034 138 I HN 0.224 nan 8.210 nan 0.000 0.405 139 P HA -0.194 nan 4.420 nan 0.000 0.215 139 P C 1.294 178.631 177.300 0.061 0.000 1.157 139 P CA 1.612 64.748 63.100 0.059 0.000 0.868 139 P CB -0.216 31.512 31.700 0.046 0.000 0.788 140 R N -0.906 119.635 120.500 0.067 0.000 2.115 140 R HA -0.038 4.301 4.340 -0.002 0.000 0.230 140 R C 1.681 178.015 176.300 0.056 0.000 1.111 140 R CA 1.228 57.355 56.100 0.045 0.000 0.976 140 R CB -1.364 28.951 30.300 0.024 0.000 0.870 140 R HN 0.099 nan 8.270 nan 0.000 0.445 141 L N 0.930 122.216 121.223 0.106 0.000 2.179 141 L HA 0.027 4.366 4.340 -0.002 0.000 0.208 141 L C 2.348 179.334 176.870 0.193 0.000 1.096 141 L CA 0.810 55.752 54.840 0.170 0.000 0.779 141 L CB -0.338 41.856 42.059 0.226 0.000 0.922 141 L HN 0.021 nan 8.230 nan 0.000 0.443 142 V N -0.866 119.132 119.914 0.140 0.000 2.343 142 V HA -0.325 3.794 4.120 -0.002 0.000 0.247 142 V C 2.513 178.668 176.094 0.101 0.000 1.051 142 V CA 1.743 64.115 62.300 0.121 0.000 1.036 142 V CB -0.429 31.442 31.823 0.080 0.000 0.654 142 V HN 0.364 nan 8.190 nan 0.000 0.451 143 M N -0.514 119.127 119.600 0.069 0.000 2.175 143 M HA -0.155 4.324 4.480 -0.002 0.000 0.264 143 M C 2.174 178.491 176.300 0.027 0.000 1.063 143 M CA 1.719 57.043 55.300 0.040 0.000 1.119 143 M CB -0.576 32.036 32.600 0.020 0.000 1.377 143 M HN 0.344 nan 8.290 nan 0.000 0.415 144 Q N -0.733 119.078 119.800 0.018 0.000 2.096 144 Q HA -0.185 4.154 4.340 -0.002 0.000 0.204 144 Q C 1.913 177.902 176.000 -0.019 0.000 0.982 144 Q CA 1.948 57.713 55.803 -0.062 0.000 0.850 144 Q CB -0.216 28.431 28.738 -0.151 0.000 0.901 144 Q HN 0.607 nan 8.270 nan 0.000 0.422 145 A N 0.571 123.499 122.820 0.180 0.000 1.940 145 A HA -0.183 4.136 4.320 -0.002 0.000 0.219 145 A C 1.968 179.661 177.584 0.180 0.000 1.176 145 A CA 1.356 53.585 52.037 0.319 0.000 0.631 145 A CB -0.642 18.591 19.000 0.390 0.000 0.814 145 A HN 0.486 nan 8.150 nan 0.000 0.446 146 I N -0.961 119.678 120.570 0.114 0.000 2.179 146 I HA -0.264 3.905 4.170 -0.002 0.000 0.242 146 I C 2.780 178.928 176.117 0.052 0.000 1.088 146 I CA 1.292 62.639 61.300 0.078 0.000 1.357 146 I CB -0.312 37.721 38.000 0.055 0.000 1.051 146 I HN 0.293 nan 8.210 nan 0.000 0.409 147 R N 0.675 121.188 120.500 0.022 0.000 2.091 147 R HA -0.176 4.163 4.340 -0.002 0.000 0.238 147 R C 2.441 178.742 176.300 0.002 0.000 1.136 147 R CA 1.562 57.660 56.100 -0.004 0.000 0.959 147 R CB -0.566 29.712 30.300 -0.036 0.000 0.856 147 R HN 0.381 nan 8.270 nan 0.000 0.437 148 A N 1.376 124.200 122.820 0.005 0.000 1.883 148 A HA -0.153 4.166 4.320 -0.002 0.000 0.217 148 A C 2.409 180.047 177.584 0.090 0.000 1.186 148 A CA 1.821 53.879 52.037 0.035 0.000 0.624 148 A CB -0.689 18.345 19.000 0.056 0.000 0.822 148 A HN 0.414 nan 8.150 nan 0.000 0.444 149 A N -0.530 122.359 122.820 0.115 0.000 1.902 149 A HA -0.010 4.309 4.320 -0.002 0.000 0.217 149 A C 2.096 179.728 177.584 0.079 0.000 1.181 149 A CA 1.516 53.626 52.037 0.121 0.000 0.623 149 A CB -0.524 18.553 19.000 0.128 0.000 0.818 149 A HN 0.474 nan 8.150 nan 0.000 0.443 150 L N 0.442 121.698 121.223 0.054 0.000 2.418 150 L HA 0.016 4.355 4.340 -0.002 0.000 0.218 150 L C 1.325 178.207 176.870 0.020 0.000 1.125 150 L CA 0.388 55.248 54.840 0.033 0.000 0.835 150 L CB -0.273 41.799 42.059 0.022 0.000 0.953 150 L HN 0.490 nan 8.230 nan 0.000 0.454 151 S N -0.060 115.652 115.700 0.021 0.000 2.652 151 S HA 0.624 5.093 4.470 -0.002 0.000 0.270 151 S C 0.103 174.711 174.600 0.014 0.000 1.243 151 S CA -0.769 57.437 58.200 0.010 0.000 0.999 151 S CB 1.811 65.013 63.200 0.003 0.000 0.973 151 S HN 0.094 nan 8.310 nan 0.000 0.544 152 A N 2.442 125.266 122.820 0.005 0.000 2.409 152 A HA 0.594 4.913 4.320 -0.002 0.000 0.262 152 A C -2.048 175.537 177.584 0.003 0.000 1.113 152 A CA -1.432 50.605 52.037 0.000 0.000 0.790 152 A CB -0.688 18.309 19.000 -0.005 0.000 1.046 152 A HN 0.751 nan 8.150 nan 0.000 0.496 153 P HA 0.373 nan 4.420 nan 0.000 0.279 153 P C -0.506 176.793 177.300 -0.002 0.000 1.239 153 P CA -0.537 62.551 63.100 -0.019 0.000 0.789 153 P CB 0.713 32.383 31.700 -0.050 0.000 0.933 154 R N 0.830 121.328 120.500 -0.002 0.000 2.734 154 R HA 0.566 4.905 4.340 -0.002 0.000 0.266 154 R C 1.036 177.361 176.300 0.042 0.000 1.044 154 R CA 1.089 57.204 56.100 0.025 0.000 1.128 154 R CB -0.282 30.028 30.300 0.016 0.000 1.010 154 R HN 0.861 nan 8.270 nan 0.000 0.461 155 G N 1.563 110.425 108.800 0.103 0.000 2.495 155 G HA2 0.404 4.363 3.960 -0.002 0.000 0.294 155 G HA3 0.404 4.363 3.960 -0.002 0.000 0.294 155 G C -3.027 172.019 174.900 0.243 0.000 1.397 155 G CA -1.012 44.192 45.100 0.174 0.000 0.790 155 G HN 0.436 nan 8.290 nan 0.000 0.486 156 P HA 0.596 nan 4.420 nan 0.000 0.281 156 P C -0.782 176.721 177.300 0.339 0.000 1.249 156 P CA -0.477 62.849 63.100 0.376 0.000 0.810 156 P CB 2.099 34.066 31.700 0.445 0.000 1.008 157 V N 2.582 122.707 119.914 0.352 0.000 2.841 157 V HA 0.386 4.505 4.120 -0.002 0.000 0.310 157 V C -0.356 175.904 176.094 0.276 0.000 1.090 157 V CA -0.761 61.716 62.300 0.295 0.000 0.930 157 V CB 2.201 34.216 31.823 0.319 0.000 1.014 157 V HN 0.413 nan 8.190 nan 0.000 0.425 158 L N 4.595 125.896 121.223 0.130 0.000 2.325 158 L HA 0.627 4.966 4.340 -0.002 0.000 0.281 158 L C -1.123 175.721 176.870 -0.043 0.000 1.004 158 L CA -0.077 54.811 54.840 0.081 0.000 0.823 158 L CB 1.259 43.328 42.059 0.016 0.000 1.236 158 L HN 0.602 nan 8.230 nan 0.000 0.415 159 L N 4.953 126.188 121.223 0.021 0.000 2.298 159 L HA 0.437 4.776 4.340 -0.002 0.000 0.284 159 L C -1.051 175.805 176.870 -0.024 0.000 1.013 159 L CA -0.417 54.407 54.840 -0.025 0.000 0.824 159 L CB 1.485 43.577 42.059 0.055 0.000 1.221 159 L HN 0.645 nan 8.230 nan 0.000 0.418 160 D N 6.033 126.380 120.400 -0.088 0.000 2.317 160 D HA 0.310 4.949 4.640 -0.002 0.000 0.234 160 D C -0.938 175.333 176.300 -0.048 0.000 1.112 160 D CA -0.266 53.675 54.000 -0.098 0.000 0.840 160 D CB 1.271 41.955 40.800 -0.193 0.000 1.078 160 D HN 0.361 nan 8.370 nan 0.000 0.486 161 L N 6.146 127.365 121.223 -0.007 0.000 2.324 161 L HA 0.355 4.694 4.340 -0.002 0.000 0.274 161 L C -2.218 174.687 176.870 0.059 0.000 1.012 161 L CA -1.800 53.061 54.840 0.034 0.000 0.859 161 L CB 1.767 43.860 42.059 0.056 0.000 1.224 161 L HN 0.171 nan 8.230 nan 0.000 0.429 162 P HA -0.088 nan 4.420 nan 0.000 0.269 162 P C -0.010 177.416 177.300 0.211 0.000 1.209 162 P CA -0.227 62.941 63.100 0.113 0.000 0.776 162 P CB 0.614 32.356 31.700 0.070 0.000 0.876 163 W N 3.332 124.664 121.300 0.053 0.000 2.363 163 W HA -0.156 4.504 4.660 -0.000 0.000 0.296 163 W C 1.482 177.998 176.519 -0.005 0.000 1.212 163 W CA 1.503 58.868 57.345 0.034 0.000 1.260 163 W CB -1.043 28.427 29.460 0.017 0.000 1.131 163 W HN 0.403 nan 8.180 nan 0.000 0.530 164 D N 0.240 120.696 120.400 0.093 0.000 2.160 164 D HA -0.250 4.389 4.640 -0.002 0.000 0.189 164 D C 2.087 178.383 176.300 -0.006 0.000 1.003 164 D CA 2.423 56.403 54.000 -0.033 0.000 0.846 164 D CB -0.446 40.357 40.800 0.006 0.000 0.949 164 D HN 0.004 nan 8.370 nan 0.000 0.446 165 I N 0.272 120.866 120.570 0.040 0.000 2.394 165 I HA -0.167 4.002 4.170 -0.002 0.000 0.251 165 I C 2.483 178.630 176.117 0.050 0.000 1.136 165 I CA 0.664 61.983 61.300 0.032 0.000 1.425 165 I CB -0.919 37.104 38.000 0.038 0.000 1.079 165 I HN 0.148 nan 8.210 nan 0.000 0.425 166 L N -0.802 120.479 121.223 0.097 0.000 2.131 166 L HA -0.077 4.262 4.340 -0.002 0.000 0.206 166 L C 2.522 179.450 176.870 0.097 0.000 1.087 166 L CA 0.953 55.862 54.840 0.115 0.000 0.767 166 L CB -0.306 41.858 42.059 0.174 0.000 0.917 166 L HN 0.133 nan 8.230 nan 0.000 0.441 167 M N -0.808 118.837 119.600 0.076 0.000 2.419 167 M HA -0.069 4.410 4.480 -0.002 0.000 0.264 167 M C 0.548 176.841 176.300 -0.011 0.000 1.082 167 M CA 0.337 55.650 55.300 0.022 0.000 1.119 167 M CB -0.421 32.131 32.600 -0.079 0.000 1.398 167 M HN 0.190 nan 8.290 nan 0.000 0.453 168 N N 1.760 120.449 118.700 -0.019 0.000 2.294 168 N HA -0.061 4.678 4.740 -0.002 0.000 0.248 168 N C -0.649 174.857 175.510 -0.007 0.000 1.242 168 N CA 0.774 53.810 53.050 -0.023 0.000 0.848 168 N CB 0.477 38.950 38.487 -0.022 0.000 1.084 168 N HN 0.204 nan 8.380 nan 0.000 0.457 169 Q N 1.967 121.760 119.800 -0.011 0.000 2.316 169 Q HA 0.577 4.916 4.340 -0.002 0.000 0.264 169 Q C -0.622 175.375 176.000 -0.004 0.000 0.987 169 Q CA -0.689 55.112 55.803 -0.002 0.000 0.852 169 Q CB 1.724 30.461 28.738 -0.002 0.000 1.287 169 Q HN 0.580 nan 8.270 nan 0.000 0.448 170 I N -2.482 118.089 120.570 0.003 0.000 3.145 170 I HA 0.553 4.722 4.170 -0.002 0.000 0.313 170 I C -0.774 175.347 176.117 0.007 0.000 1.122 170 I CA -1.261 60.040 61.300 0.002 0.000 0.987 170 I CB 2.040 40.040 38.000 -0.000 0.000 1.236 170 I HN 0.339 nan 8.210 nan 0.000 0.453 171 D N 2.591 122.994 120.400 0.006 0.000 2.358 171 D HA 0.016 4.656 4.640 -0.002 0.000 0.258 171 D C 1.134 177.442 176.300 0.013 0.000 1.223 171 D CA 0.098 54.103 54.000 0.009 0.000 0.886 171 D CB 1.108 41.912 40.800 0.007 0.000 1.120 171 D HN 0.758 nan 8.370 nan 0.000 0.482 172 E N 2.571 122.780 120.200 0.016 0.000 2.204 172 E HA -0.225 4.124 4.350 -0.002 0.000 0.195 172 E C 0.344 176.955 176.600 0.018 0.000 0.990 172 E CA 0.852 57.264 56.400 0.020 0.000 0.821 172 E CB 0.037 29.751 29.700 0.024 0.000 0.750 172 E HN 0.390 nan 8.360 nan 0.000 0.477 173 D N 1.109 121.519 120.400 0.015 0.000 2.348 173 D HA -0.072 4.567 4.640 -0.002 0.000 0.216 173 D C 1.721 178.030 176.300 0.014 0.000 0.970 173 D CA 1.297 55.306 54.000 0.014 0.000 0.889 173 D CB 0.203 41.010 40.800 0.012 0.000 0.912 173 D HN 0.357 nan 8.370 nan 0.000 0.524 174 S N -0.676 115.033 115.700 0.015 0.000 2.524 174 S HA 0.140 4.609 4.470 -0.002 0.000 0.215 174 S C 0.470 175.082 174.600 0.020 0.000 0.986 174 S CA -0.502 57.707 58.200 0.015 0.000 0.911 174 S CB 0.665 63.873 63.200 0.012 0.000 0.805 174 S HN 0.017 nan 8.310 nan 0.000 0.501 175 V N 1.991 121.918 119.914 0.022 0.000 2.686 175 V HA 0.718 4.837 4.120 -0.002 0.000 0.306 175 V C -0.902 175.207 176.094 0.026 0.000 1.065 175 V CA -1.370 60.947 62.300 0.028 0.000 0.894 175 V CB 1.708 33.551 31.823 0.033 0.000 1.004 175 V HN 0.490 nan 8.190 nan 0.000 0.424 176 I N 6.240 126.825 120.570 0.026 0.000 2.440 176 I HA 0.638 4.807 4.170 -0.002 0.000 0.294 176 I C -0.648 175.482 176.117 0.021 0.000 0.995 176 I CA 0.131 61.444 61.300 0.021 0.000 1.306 176 I CB 1.362 39.372 38.000 0.017 0.000 1.407 176 I HN 0.570 nan 8.210 nan 0.000 0.501 177 I N 8.868 129.448 120.570 0.016 0.000 2.312 177 I HA 0.426 4.595 4.170 -0.002 0.000 0.291 177 I C -1.972 174.150 176.117 0.009 0.000 1.031 177 I CA -1.547 59.760 61.300 0.012 0.000 1.293 177 I CB 0.441 38.444 38.000 0.005 0.000 1.403 177 I HN 0.560 nan 8.210 nan 0.000 0.484 178 P HA 0.218 nan 4.420 nan 0.000 0.276 178 P C -0.759 176.541 177.300 0.001 0.000 1.244 178 P CA -0.519 62.584 63.100 0.005 0.000 0.801 178 P CB 0.672 32.375 31.700 0.004 0.000 1.006 179 D N 0.216 120.615 120.400 -0.001 0.000 2.358 179 D HA 0.126 4.765 4.640 -0.002 0.000 0.244 179 D C -0.126 176.171 176.300 -0.005 0.000 1.163 179 D CA -0.020 53.978 54.000 -0.003 0.000 0.945 179 D CB 0.578 41.376 40.800 -0.004 0.000 1.152 179 D HN 0.170 nan 8.370 nan 0.000 0.451 180 L N 1.860 123.080 121.223 -0.006 0.000 2.312 180 L HA 0.188 4.527 4.340 -0.002 0.000 0.287 180 L C -0.973 175.890 176.870 -0.012 0.000 1.091 180 L CA -0.256 54.580 54.840 -0.008 0.000 0.846 180 L CB 0.398 42.453 42.059 -0.006 0.000 1.219 180 L HN 0.014 nan 8.230 nan 0.000 0.439 181 V N 6.895 126.801 119.914 -0.013 0.000 2.293 181 V HA 0.533 4.652 4.120 -0.002 0.000 0.275 181 V C -0.533 175.550 176.094 -0.018 0.000 1.021 181 V CA -0.475 61.816 62.300 -0.014 0.000 0.815 181 V CB 1.013 32.830 31.823 -0.011 0.000 1.025 181 V HN 0.644 nan 8.190 nan 0.000 0.448 182 L N 4.125 125.335 121.223 -0.022 0.000 2.710 182 L HA 0.514 4.853 4.340 -0.002 0.000 0.262 182 L C -0.045 176.803 176.870 -0.036 0.000 0.940 182 L CA 0.163 54.989 54.840 -0.025 0.000 0.944 182 L CB 2.180 44.225 42.059 -0.024 0.000 1.348 182 L HN 0.532 nan 8.230 nan 0.000 0.425 183 S N 3.229 118.911 115.700 -0.029 0.000 2.558 183 S HA 0.354 4.823 4.470 -0.002 0.000 0.293 183 S C 1.403 175.939 174.600 -0.108 0.000 1.292 183 S CA 0.465 58.635 58.200 -0.050 0.000 1.063 183 S CB 0.978 64.187 63.200 0.015 0.000 0.831 183 S HN 1.022 nan 8.310 nan 0.000 0.499 184 A N 4.812 127.483 122.820 -0.249 0.000 2.169 184 A HA 0.151 4.471 4.320 -0.002 0.000 0.212 184 A C 0.589 177.998 177.584 -0.291 0.000 1.153 184 A CA 0.325 52.191 52.037 -0.285 0.000 0.756 184 A CB -0.280 18.518 19.000 -0.337 0.000 0.813 184 A HN 0.917 nan 8.150 nan 0.000 0.471 185 H N 0.161 119.226 119.070 -0.009 0.000 2.517 185 H HA 0.429 4.984 4.556 -0.002 0.000 0.317 185 H C 0.726 176.047 175.328 -0.013 0.000 1.080 185 H CA -0.186 55.855 56.048 -0.012 0.000 1.301 185 H CB 0.886 30.641 29.762 -0.012 0.000 1.425 185 H HN 0.228 nan 8.280 nan 0.000 0.471 186 G N 1.230 110.084 108.800 0.090 0.000 2.606 186 G HA2 0.379 4.338 3.960 -0.002 0.000 0.252 186 G HA3 0.379 4.338 3.960 -0.002 0.000 0.252 186 G C 0.071 174.993 174.900 0.038 0.000 1.206 186 G CA -0.236 44.891 45.100 0.044 0.000 0.861 186 G HN 0.778 nan 8.290 nan 0.000 0.561 187 A N 0.540 123.372 122.820 0.019 0.000 2.386 187 A HA 0.641 4.960 4.320 -0.002 0.000 0.248 187 A C 0.797 178.379 177.584 -0.003 0.000 1.082 187 A CA -0.207 51.835 52.037 0.009 0.000 0.789 187 A CB 0.316 19.319 19.000 0.005 0.000 1.025 187 A HN 0.979 nan 8.150 nan 0.000 0.490 188 R N 0.871 121.366 120.500 -0.009 0.000 2.888 188 R HA 0.723 5.062 4.340 -0.002 0.000 0.266 188 R C -3.029 173.261 176.300 -0.017 0.000 1.020 188 R CA -1.807 54.281 56.100 -0.019 0.000 0.963 188 R CB 0.044 30.326 30.300 -0.029 0.000 1.197 188 R HN 0.398 nan 8.270 nan 0.000 0.481 189 P HA -0.037 nan 4.420 nan 0.000 0.270 189 P C -0.870 176.424 177.300 -0.010 0.000 1.223 189 P CA -0.179 62.913 63.100 -0.014 0.000 0.785 189 P CB 0.404 32.093 31.700 -0.018 0.000 0.923 190 D N 2.272 122.669 120.400 -0.005 0.000 2.488 190 D HA -0.036 4.603 4.640 -0.002 0.000 0.238 190 D C -1.192 175.107 176.300 -0.001 0.000 1.138 190 D CA -1.206 52.793 54.000 -0.002 0.000 0.873 190 D CB 0.748 41.549 40.800 0.001 0.000 1.183 190 D HN 0.161 nan 8.370 nan 0.000 0.458 191 P HA -0.157 nan 4.420 nan 0.000 0.219 191 P C 0.939 178.244 177.300 0.008 0.000 1.146 191 P CA 1.072 64.174 63.100 0.003 0.000 0.808 191 P CB 0.100 31.801 31.700 0.002 0.000 0.779 192 A N 0.318 123.142 122.820 0.007 0.000 1.930 192 A HA -0.168 4.152 4.320 -0.002 0.000 0.217 192 A C 2.043 179.636 177.584 0.014 0.000 1.175 192 A CA 1.760 53.803 52.037 0.010 0.000 0.627 192 A CB -1.103 17.901 19.000 0.008 0.000 0.815 192 A HN 0.064 nan 8.150 nan 0.000 0.443 193 D N -0.395 120.012 120.400 0.012 0.000 2.117 193 D HA -0.105 4.534 4.640 -0.002 0.000 0.198 193 D C 1.841 178.152 176.300 0.020 0.000 0.982 193 D CA 0.976 54.985 54.000 0.015 0.000 0.828 193 D CB -0.325 40.481 40.800 0.011 0.000 0.967 193 D HN 0.325 nan 8.370 nan 0.000 0.464 194 L N 1.214 122.446 121.223 0.015 0.000 2.017 194 L HA -0.168 4.171 4.340 -0.002 0.000 0.208 194 L C 1.586 178.482 176.870 0.044 0.000 1.073 194 L CA 1.682 56.534 54.840 0.020 0.000 0.745 194 L CB -0.316 41.746 42.059 0.006 0.000 0.894 194 L HN -0.145 nan 8.230 nan 0.000 0.432 195 D N -1.037 119.386 120.400 0.038 0.000 2.123 195 D HA -0.255 4.385 4.640 -0.002 0.000 0.196 195 D C 2.056 178.385 176.300 0.047 0.000 0.992 195 D CA 1.238 55.265 54.000 0.044 0.000 0.833 195 D CB -0.083 40.733 40.800 0.027 0.000 0.954 195 D HN 0.494 nan 8.370 nan 0.000 0.455 196 Q N 0.126 119.950 119.800 0.039 0.000 2.050 196 Q HA -0.123 4.216 4.340 -0.002 0.000 0.202 196 Q C 2.082 178.117 176.000 0.058 0.000 0.980 196 Q CA 1.451 57.277 55.803 0.039 0.000 0.840 196 Q CB -0.037 28.719 28.738 0.030 0.000 0.898 196 Q HN 0.207 nan 8.270 nan 0.000 0.424 197 A N 0.797 123.656 122.820 0.065 0.000 1.883 197 A HA -0.190 4.129 4.320 -0.002 0.000 0.217 197 A C 2.035 179.702 177.584 0.140 0.000 1.186 197 A CA 1.375 53.464 52.037 0.087 0.000 0.624 197 A CB -0.808 18.234 19.000 0.070 0.000 0.822 197 A HN 0.446 nan 8.150 nan 0.000 0.444 198 L N -0.946 120.376 121.223 0.165 0.000 2.141 198 L HA -0.158 4.181 4.340 -0.002 0.000 0.209 198 L C 3.007 179.997 176.870 0.200 0.000 1.094 198 L CA 0.887 55.892 54.840 0.276 0.000 0.763 198 L CB -0.456 41.782 42.059 0.298 0.000 0.908 198 L HN 0.448 nan 8.230 nan 0.000 0.437 199 A N -0.059 122.819 122.820 0.097 0.000 1.968 199 A HA -0.093 4.226 4.320 -0.002 0.000 0.217 199 A C 2.242 179.858 177.584 0.053 0.000 1.169 199 A CA 1.082 53.141 52.037 0.037 0.000 0.638 199 A CB -0.471 18.538 19.000 0.014 0.000 0.812 199 A HN 0.332 nan 8.150 nan 0.000 0.446 200 L N -1.206 120.064 121.223 0.079 0.000 2.056 200 L HA -0.138 4.201 4.340 -0.002 0.000 0.207 200 L C 2.492 179.428 176.870 0.109 0.000 1.078 200 L CA 0.912 55.797 54.840 0.076 0.000 0.749 200 L CB -0.427 41.675 42.059 0.071 0.000 0.901 200 L HN 0.400 nan 8.230 nan 0.000 0.433 201 L N 0.107 121.437 121.223 0.179 0.000 2.083 201 L HA -0.214 4.125 4.340 -0.002 0.000 0.209 201 L C 2.735 179.794 176.870 0.315 0.000 1.083 201 L CA 1.674 56.668 54.840 0.257 0.000 0.752 201 L CB -0.523 41.750 42.059 0.356 0.000 0.899 201 L HN 0.147 nan 8.230 nan 0.000 0.433 202 R N 0.168 120.824 120.500 0.261 0.000 2.148 202 R HA -0.164 4.175 4.340 -0.002 0.000 0.223 202 R C 1.907 178.230 176.300 0.038 0.000 1.088 202 R CA 1.533 57.687 56.100 0.089 0.000 0.985 202 R CB -0.067 30.073 30.300 -0.267 0.000 0.880 202 R HN 0.513 nan 8.270 nan 0.000 0.451 203 K N -0.538 119.881 120.400 0.032 0.000 2.358 203 K HA 0.286 4.605 4.320 -0.002 0.000 0.197 203 K C -0.101 176.503 176.600 0.008 0.000 1.025 203 K CA 0.110 56.402 56.287 0.007 0.000 1.104 203 K CB 0.719 33.214 32.500 -0.009 0.000 0.855 203 K HN 0.077 nan 8.250 nan 0.000 0.531 204 A N 1.519 124.355 122.820 0.026 0.000 2.386 204 A HA 0.135 4.454 4.320 -0.002 0.000 0.248 204 A C 0.320 177.869 177.584 -0.059 0.000 1.082 204 A CA -0.422 51.607 52.037 -0.013 0.000 0.789 204 A CB 0.456 19.460 19.000 0.007 0.000 1.025 204 A HN 0.467 nan 8.150 nan 0.000 0.490 205 E N 0.331 120.452 120.200 -0.132 0.000 2.307 205 E HA 0.047 4.396 4.350 -0.002 0.000 0.195 205 E C 0.088 176.420 176.600 -0.448 0.000 0.975 205 E CA 0.450 56.730 56.400 -0.201 0.000 0.878 205 E CB 0.301 29.901 29.700 -0.167 0.000 0.845 205 E HN 0.627 nan 8.360 nan 0.000 0.488 206 R N 1.280 121.433 120.500 -0.577 0.000 2.638 206 R HA 0.209 4.548 4.340 -0.002 0.000 0.261 206 R C -2.688 173.313 176.300 -0.498 0.000 1.515 206 R CA -1.272 54.084 56.100 -1.240 0.000 1.623 206 R CB 1.347 30.778 30.300 -1.449 0.000 1.347 206 R HN 0.053 nan 8.270 nan 0.000 0.705 207 P HA 0.264 nan 4.420 nan 0.000 0.276 207 P C -0.395 177.132 177.300 0.379 0.000 1.244 207 P CA -0.322 62.856 63.100 0.130 0.000 0.801 207 P CB 1.920 33.691 31.700 0.117 0.000 1.006 208 V N 2.582 122.657 119.914 0.268 0.000 3.012 208 V HA 0.414 4.533 4.120 -0.002 0.000 0.307 208 V C -0.175 176.033 176.094 0.189 0.000 1.166 208 V CA -0.717 61.758 62.300 0.293 0.000 0.974 208 V CB 2.391 34.370 31.823 0.260 0.000 1.040 208 V HN 0.376 nan 8.190 nan 0.000 0.428 209 I N 3.466 124.160 120.570 0.207 0.000 2.474 209 I HA 0.645 4.814 4.170 -0.002 0.000 0.294 209 I C -0.985 175.230 176.117 0.163 0.000 1.005 209 I CA -0.931 60.459 61.300 0.151 0.000 1.113 209 I CB 2.156 40.237 38.000 0.135 0.000 1.289 209 I HN 0.229 nan 8.210 nan 0.000 0.436 210 V N 6.761 126.725 119.914 0.082 0.000 2.483 210 V HA 0.451 4.570 4.120 -0.002 0.000 0.297 210 V C -0.181 175.923 176.094 0.016 0.000 1.027 210 V CA -0.553 61.778 62.300 0.051 0.000 0.855 210 V CB 1.756 33.559 31.823 -0.034 0.000 0.995 210 V HN 0.468 nan 8.190 nan 0.000 0.424 211 L N 3.906 125.144 121.223 0.025 0.000 2.334 211 L HA 0.899 5.238 4.340 -0.002 0.000 0.275 211 L C 0.829 177.690 176.870 -0.016 0.000 1.036 211 L CA -0.151 54.692 54.840 0.005 0.000 0.807 211 L CB 1.722 43.791 42.059 0.017 0.000 1.231 211 L HN 0.770 nan 8.230 nan 0.000 0.438 212 G N -0.440 108.342 108.800 -0.031 0.000 3.175 212 G HA2 0.349 4.308 3.960 -0.002 0.000 0.255 212 G HA3 0.349 4.308 3.960 -0.002 0.000 0.255 212 G C 0.697 175.572 174.900 -0.041 0.000 1.352 212 G CA 0.293 45.365 45.100 -0.047 0.000 1.037 212 G HN 0.626 nan 8.290 nan 0.000 0.556 213 S N -0.667 114.997 115.700 -0.061 0.000 2.383 213 S HA -0.135 4.334 4.470 -0.002 0.000 0.229 213 S C 1.625 176.199 174.600 -0.044 0.000 1.030 213 S CA 1.900 60.067 58.200 -0.056 0.000 1.002 213 S CB -0.296 62.852 63.200 -0.085 0.000 0.829 213 S HN 0.505 nan 8.310 nan 0.000 0.467 214 E N 1.794 121.966 120.200 -0.046 0.000 2.267 214 E HA -0.036 4.313 4.350 -0.002 0.000 0.197 214 E C 2.317 178.901 176.600 -0.026 0.000 0.998 214 E CA 1.047 57.425 56.400 -0.036 0.000 0.830 214 E CB -0.592 29.086 29.700 -0.036 0.000 0.751 214 E HN 0.744 nan 8.360 nan 0.000 0.491 215 A N 0.682 123.489 122.820 -0.023 0.000 1.930 215 A HA -0.104 4.215 4.320 -0.002 0.000 0.217 215 A C 2.477 180.054 177.584 -0.011 0.000 1.175 215 A CA 1.436 53.464 52.037 -0.014 0.000 0.627 215 A CB -0.300 18.696 19.000 -0.008 0.000 0.815 215 A HN 0.133 nan 8.150 nan 0.000 0.443 216 S N -0.623 115.070 115.700 -0.013 0.000 2.387 216 S HA -0.085 4.384 4.470 -0.002 0.000 0.226 216 S C 2.139 176.728 174.600 -0.018 0.000 1.026 216 S CA 0.771 58.964 58.200 -0.012 0.000 0.972 216 S CB -0.237 62.957 63.200 -0.010 0.000 0.814 216 S HN 0.495 nan 8.310 nan 0.000 0.477 217 R N 1.143 121.630 120.500 -0.021 0.000 2.096 217 R HA -0.034 4.305 4.340 -0.002 0.000 0.235 217 R C 2.364 178.653 176.300 -0.018 0.000 1.127 217 R CA 1.772 57.860 56.100 -0.020 0.000 0.968 217 R CB -1.548 28.741 30.300 -0.018 0.000 0.861 217 R HN 0.641 nan 8.270 nan 0.000 0.440 218 T N -3.023 111.522 114.554 -0.015 0.000 3.015 218 T HA 0.380 4.729 4.350 -0.002 0.000 0.250 218 T C 0.967 175.661 174.700 -0.010 0.000 1.057 218 T CA 0.430 62.523 62.100 -0.013 0.000 1.066 218 T CB 0.282 69.145 68.868 -0.008 0.000 0.959 218 T HN 0.247 nan 8.240 nan 0.000 0.488 219 A N 2.239 125.053 122.820 -0.010 0.000 2.687 219 A HA -0.167 4.152 4.320 -0.002 0.000 0.299 219 A C 0.652 178.235 177.584 -0.003 0.000 1.497 219 A CA 0.327 52.359 52.037 -0.008 0.000 0.751 219 A CB -2.010 16.983 19.000 -0.013 0.000 1.048 219 A HN 0.523 nan 8.150 nan 0.000 0.464 220 R N -0.059 120.441 120.500 0.000 0.000 4.164 220 R HA 0.132 4.471 4.340 -0.002 0.000 0.195 220 R C 1.160 177.464 176.300 0.007 0.000 1.712 220 R CA 0.319 56.422 56.100 0.005 0.000 1.457 220 R CB -0.094 30.208 30.300 0.003 0.000 1.387 220 R HN 0.712 nan 8.270 nan 0.000 0.785 221 K N 0.083 120.486 120.400 0.005 0.000 2.026 221 K HA -0.141 4.178 4.320 -0.002 0.000 0.208 221 K C 2.163 178.768 176.600 0.009 0.000 1.048 221 K CA 2.107 58.397 56.287 0.005 0.000 0.929 221 K CB -0.013 32.486 32.500 -0.001 0.000 0.713 221 K HN 0.377 nan 8.250 nan 0.000 0.439 222 T N -0.490 114.070 114.554 0.009 0.000 2.867 222 T HA -0.031 4.318 4.350 -0.002 0.000 0.268 222 T C 2.046 176.758 174.700 0.019 0.000 1.057 222 T CA 1.079 63.186 62.100 0.010 0.000 1.136 222 T CB -0.149 68.724 68.868 0.008 0.000 0.874 222 T HN 0.166 nan 8.240 nan 0.000 0.466 223 A N 1.470 124.301 122.820 0.019 0.000 1.873 223 A HA 0.164 4.483 4.320 -0.002 0.000 0.215 223 A C 2.335 179.953 177.584 0.057 0.000 1.186 223 A CA 1.579 53.632 52.037 0.025 0.000 0.616 223 A CB -1.029 17.974 19.000 0.004 0.000 0.823 223 A HN 0.525 nan 8.150 nan 0.000 0.442 224 L N -0.295 120.961 121.223 0.054 0.000 2.042 224 L HA -0.133 4.206 4.340 -0.002 0.000 0.210 224 L C 2.569 179.494 176.870 0.090 0.000 1.076 224 L CA 2.542 57.440 54.840 0.096 0.000 0.749 224 L CB -0.745 41.349 42.059 0.059 0.000 0.893 224 L HN 0.311 nan 8.230 nan 0.000 0.432 225 S N -0.990 114.733 115.700 0.039 0.000 2.356 225 S HA -0.180 4.289 4.470 -0.002 0.000 0.223 225 S C 2.098 176.701 174.600 0.005 0.000 1.032 225 S CA 1.211 59.415 58.200 0.007 0.000 1.005 225 S CB -0.473 62.726 63.200 -0.002 0.000 0.867 225 S HN 0.688 nan 8.310 nan 0.000 0.449 226 A N 0.275 123.114 122.820 0.032 0.000 1.902 226 A HA -0.060 4.259 4.320 -0.002 0.000 0.217 226 A C 1.971 179.584 177.584 0.048 0.000 1.181 226 A CA 1.571 53.627 52.037 0.032 0.000 0.623 226 A CB -0.946 18.079 19.000 0.043 0.000 0.818 226 A HN 0.679 nan 8.150 nan 0.000 0.443 227 F N 0.477 120.377 119.950 -0.083 0.000 2.102 227 F HA -0.157 4.369 4.527 -0.001 0.000 0.298 227 F C 2.165 177.864 175.800 -0.169 0.000 1.105 227 F CA 1.897 59.821 58.000 -0.126 0.000 1.239 227 F CB -0.045 38.893 39.000 -0.103 0.000 0.991 227 F HN 0.042 nan 8.300 nan 0.000 0.474 228 V N 0.711 120.441 119.914 -0.308 0.000 2.407 228 V HA -0.288 3.831 4.120 -0.002 0.000 0.248 228 V C 2.704 178.616 176.094 -0.305 0.000 1.055 228 V CA 1.685 63.746 62.300 -0.398 0.000 1.049 228 V CB -1.405 30.295 31.823 -0.204 0.000 0.662 228 V HN 0.507 nan 8.190 nan 0.000 0.455 229 A N -0.197 122.510 122.820 -0.188 0.000 1.969 229 A HA -0.017 4.302 4.320 -0.002 0.000 0.218 229 A C 2.320 179.812 177.584 -0.154 0.000 1.169 229 A CA 1.884 53.839 52.037 -0.137 0.000 0.635 229 A CB -0.488 18.466 19.000 -0.077 0.000 0.810 229 A HN 0.561 nan 8.150 nan 0.000 0.445 230 A N -0.762 121.930 122.820 -0.212 0.000 1.975 230 A HA 0.079 4.398 4.320 -0.002 0.000 0.215 230 A C 2.263 179.602 177.584 -0.408 0.000 1.170 230 A CA 1.965 53.872 52.037 -0.217 0.000 0.656 230 A CB -0.664 18.243 19.000 -0.155 0.000 0.821 230 A HN 0.675 nan 8.150 nan 0.000 0.449 231 T N -5.079 109.092 114.554 -0.638 0.000 3.015 231 T HA 0.384 4.733 4.350 -0.002 0.000 0.250 231 T C 1.457 175.952 174.700 -0.342 0.000 1.057 231 T CA 1.150 62.783 62.100 -0.778 0.000 1.066 231 T CB -0.038 68.107 68.868 -1.204 0.000 0.959 231 T HN 1.597 nan 8.240 nan 0.000 0.488 232 G N 1.269 109.903 108.800 -0.277 0.000 2.179 232 G HA2 -0.211 3.748 3.960 -0.002 0.000 0.257 232 G HA3 -0.211 3.748 3.960 -0.002 0.000 0.257 232 G C 0.020 174.861 174.900 -0.097 0.000 1.010 232 G CA 0.152 45.168 45.100 -0.139 0.000 0.736 232 G HN 0.736 nan 8.290 nan 0.000 0.513 233 V N 2.428 122.234 119.914 -0.179 0.000 2.461 233 V HA 0.414 4.533 4.120 -0.002 0.000 0.275 233 V C -1.093 174.957 176.094 -0.074 0.000 1.047 233 V CA -1.423 60.835 62.300 -0.071 0.000 0.955 233 V CB 1.397 33.148 31.823 -0.121 0.000 0.988 233 V HN 0.247 nan 8.190 nan 0.000 0.471 234 P HA 0.229 nan 4.420 nan 0.000 0.271 234 P C -0.898 176.357 177.300 -0.076 0.000 1.218 234 P CA -0.044 62.986 63.100 -0.117 0.000 0.780 234 P CB 1.037 32.621 31.700 -0.193 0.000 0.901 235 V N 3.292 123.080 119.914 -0.210 0.000 2.540 235 V HA 0.458 4.577 4.120 -0.002 0.000 0.302 235 V C 0.001 175.920 176.094 -0.291 0.000 1.035 235 V CA -0.386 61.844 62.300 -0.116 0.000 0.873 235 V CB 0.924 32.701 31.823 -0.077 0.000 0.992 235 V HN 0.387 nan 8.190 nan 0.000 0.428 236 F N 1.723 121.642 119.950 -0.051 0.000 2.613 236 F HA 0.944 5.470 4.527 -0.002 0.000 0.342 236 F C 0.464 176.235 175.800 -0.048 0.000 1.066 236 F CA -0.624 57.342 58.000 -0.058 0.000 1.002 236 F CB 2.009 40.959 39.000 -0.082 0.000 1.319 236 F HN 0.667 nan 8.300 nan 0.000 0.495 237 A N 0.321 123.238 122.820 0.162 0.000 2.612 237 A HA 0.551 4.870 4.320 -0.002 0.000 0.293 237 A C -1.655 175.949 177.584 0.033 0.000 1.075 237 A CA -0.853 51.225 52.037 0.069 0.000 0.680 237 A CB 1.096 20.125 19.000 0.048 0.000 1.279 237 A HN 0.684 nan 8.150 nan 0.000 0.411 238 D N -0.080 120.310 120.400 -0.016 0.000 2.414 238 D HA 0.241 4.880 4.640 -0.002 0.000 0.251 238 D C 0.780 177.099 176.300 0.032 0.000 1.252 238 D CA -0.134 53.813 54.000 -0.089 0.000 0.999 238 D CB -0.041 40.681 40.800 -0.130 0.000 1.093 238 D HN 0.425 nan 8.370 nan 0.000 0.515 239 Y N -0.829 119.545 120.300 0.124 0.000 2.069 239 Y HA -0.163 4.386 4.550 -0.002 0.000 0.278 239 Y C 2.452 178.465 175.900 0.187 0.000 1.175 239 Y CA 1.880 60.119 58.100 0.232 0.000 1.134 239 Y CB -0.986 37.583 38.460 0.181 0.000 0.965 239 Y HN 0.514 nan 8.280 nan 0.000 0.498 240 E N -0.360 119.964 120.200 0.206 0.000 2.268 240 E HA -0.045 4.304 4.350 -0.002 0.000 0.195 240 E C 2.353 178.999 176.600 0.077 0.000 0.995 240 E CA 1.056 57.510 56.400 0.091 0.000 0.836 240 E CB -0.535 29.166 29.700 0.002 0.000 0.763 240 E HN 0.415 nan 8.360 nan 0.000 0.491 241 G N -0.191 108.653 108.800 0.074 0.000 2.777 241 G HA2 -0.102 3.857 3.960 -0.002 0.000 0.211 241 G HA3 -0.102 3.857 3.960 -0.002 0.000 0.211 241 G C 1.314 176.253 174.900 0.065 0.000 1.149 241 G CA 0.280 45.410 45.100 0.049 0.000 0.785 241 G HN 0.289 nan 8.290 nan 0.000 0.536 242 L N 2.277 123.568 121.223 0.113 0.000 2.043 242 L HA -0.136 4.203 4.340 -0.002 0.000 0.212 242 L C 2.998 179.893 176.870 0.041 0.000 1.075 242 L CA 2.642 57.528 54.840 0.076 0.000 0.752 242 L CB -0.642 41.466 42.059 0.080 0.000 0.891 242 L HN 0.295 nan 8.230 nan 0.000 0.432 243 S N -1.797 113.946 115.700 0.073 0.000 2.447 243 S HA -0.169 4.300 4.470 -0.002 0.000 0.233 243 S C 1.840 176.449 174.600 0.016 0.000 1.006 243 S CA 0.977 59.203 58.200 0.044 0.000 0.957 243 S CB -0.533 62.705 63.200 0.064 0.000 0.773 243 S HN 0.432 nan 8.310 nan 0.000 0.507 244 M N 1.069 120.678 119.600 0.016 0.000 2.632 244 M HA 0.215 4.694 4.480 -0.002 0.000 0.256 244 M C 1.323 177.617 176.300 -0.009 0.000 1.080 244 M CA 0.710 56.012 55.300 0.004 0.000 1.084 244 M CB -1.033 31.571 32.600 0.007 0.000 1.439 244 M HN 0.445 nan 8.290 nan 0.000 0.509 245 L N -1.873 119.339 121.223 -0.019 0.000 2.567 245 L HA 0.059 4.398 4.340 -0.002 0.000 0.225 245 L C 2.027 178.867 176.870 -0.049 0.000 1.119 245 L CA -0.026 54.787 54.840 -0.044 0.000 0.871 245 L CB -0.459 41.559 42.059 -0.067 0.000 1.036 245 L HN 0.104 nan 8.230 nan 0.000 0.459 246 S N 0.740 116.419 115.700 -0.036 0.000 2.447 246 S HA -0.060 4.409 4.470 -0.002 0.000 0.233 246 S C 1.828 176.405 174.600 -0.038 0.000 1.006 246 S CA 1.215 59.392 58.200 -0.038 0.000 0.957 246 S CB -0.095 63.089 63.200 -0.026 0.000 0.773 246 S HN 0.606 nan 8.310 nan 0.000 0.507 247 G N 0.335 109.115 108.800 -0.033 0.000 3.189 247 G HA2 0.367 4.326 3.960 -0.002 0.000 0.225 247 G HA3 0.367 4.326 3.960 -0.002 0.000 0.225 247 G C 0.183 175.059 174.900 -0.039 0.000 1.159 247 G CA -0.289 44.792 45.100 -0.032 0.000 0.763 247 G HN 0.291 nan 8.290 nan 0.000 0.549 248 L N 0.872 122.065 121.223 -0.051 0.000 2.379 248 L HA 0.371 4.710 4.340 -0.002 0.000 0.269 248 L C -2.028 174.800 176.870 -0.070 0.000 1.084 248 L CA -2.079 52.724 54.840 -0.063 0.000 0.802 248 L CB 1.276 43.289 42.059 -0.077 0.000 1.175 248 L HN -0.124 nan 8.230 nan 0.000 0.448 249 P HA 0.019 nan 4.420 nan 0.000 0.269 249 P C -0.109 177.138 177.300 -0.089 0.000 1.209 249 P CA -0.194 62.861 63.100 -0.074 0.000 0.776 249 P CB 0.563 32.221 31.700 -0.071 0.000 0.876 250 D N 2.082 122.431 120.400 -0.085 0.000 2.149 250 D HA -0.168 4.471 4.640 -0.002 0.000 0.198 250 D C 1.732 177.964 176.300 -0.113 0.000 0.990 250 D CA 1.657 55.599 54.000 -0.098 0.000 0.839 250 D CB -0.252 40.496 40.800 -0.087 0.000 0.948 250 D HN 0.407 nan 8.370 nan 0.000 0.460 251 A N 0.819 123.578 122.820 -0.102 0.000 2.178 251 A HA -0.108 4.211 4.320 -0.002 0.000 0.218 251 A C 1.810 179.310 177.584 -0.140 0.000 1.157 251 A CA 0.939 52.910 52.037 -0.110 0.000 0.689 251 A CB -0.255 18.695 19.000 -0.084 0.000 0.787 251 A HN 0.197 nan 8.150 nan 0.000 0.465 252 M N -1.047 118.463 119.600 -0.150 0.000 2.484 252 M HA 0.291 4.770 4.480 -0.002 0.000 0.307 252 M C -0.238 175.923 176.300 -0.231 0.000 1.149 252 M CA 0.094 55.285 55.300 -0.181 0.000 0.972 252 M CB -0.192 32.316 32.600 -0.154 0.000 1.400 252 M HN 0.126 nan 8.290 nan 0.000 0.508 253 R N 1.137 121.497 120.500 -0.233 0.000 2.204 253 R HA 0.434 4.773 4.340 -0.002 0.000 0.341 253 R C 1.285 177.348 176.300 -0.394 0.000 1.035 253 R CA -0.163 55.775 56.100 -0.271 0.000 0.887 253 R CB 0.882 31.069 30.300 -0.189 0.000 1.114 253 R HN 0.332 nan 8.270 nan 0.000 0.473 254 G N 1.664 110.049 108.800 -0.691 0.000 2.494 254 G HA2 0.227 4.186 3.960 -0.002 0.000 0.216 254 G HA3 0.227 4.186 3.960 -0.002 0.000 0.216 254 G C 0.755 175.271 174.900 -0.640 0.000 1.140 254 G CA 0.628 45.035 45.100 -1.156 0.000 0.801 254 G HN 0.887 nan 8.290 nan 0.000 0.536 255 G N -0.449 108.117 108.800 -0.391 0.000 2.508 255 G HA2 -0.179 3.780 3.960 -0.002 0.000 0.220 255 G HA3 -0.179 3.780 3.960 -0.002 0.000 0.220 255 G C -0.166 174.773 174.900 0.065 0.000 1.287 255 G CA -0.413 44.627 45.100 -0.099 0.000 0.916 255 G HN 0.556 nan 8.290 nan 0.000 0.574 256 L N 1.186 122.477 121.223 0.113 0.000 2.456 256 L HA 0.232 4.572 4.340 -0.002 0.000 0.272 256 L C 2.412 179.404 176.870 0.204 0.000 1.189 256 L CA -0.003 54.917 54.840 0.133 0.000 0.846 256 L CB 1.073 43.200 42.059 0.115 0.000 1.111 256 L HN 0.770 nan 8.230 nan 0.000 0.475 257 V N 0.205 120.183 119.914 0.106 0.000 2.453 257 V HA -0.316 3.803 4.120 -0.002 0.000 0.252 257 V C 2.306 178.371 176.094 -0.049 0.000 1.068 257 V CA 1.931 64.217 62.300 -0.024 0.000 1.070 257 V CB -1.397 30.359 31.823 -0.112 0.000 0.664 257 V HN 1.080 nan 8.190 nan 0.000 0.461 258 Q N 3.592 123.394 119.800 0.004 0.000 2.173 258 Q HA -0.322 4.017 4.340 -0.002 0.000 0.208 258 Q C 1.608 177.664 176.000 0.093 0.000 0.989 258 Q CA 2.460 58.282 55.803 0.032 0.000 0.872 258 Q CB -1.048 27.713 28.738 0.039 0.000 0.909 258 Q HN 0.850 nan 8.270 nan 0.000 0.420 259 N N 0.082 118.867 118.700 0.141 0.000 2.370 259 N HA -0.013 4.727 4.740 -0.002 0.000 0.198 259 N C 0.968 176.638 175.510 0.267 0.000 1.156 259 N CA 0.092 53.282 53.050 0.232 0.000 0.839 259 N CB 0.097 38.739 38.487 0.258 0.000 0.989 259 N HN 0.128 nan 8.380 nan 0.000 0.468 260 L N -0.265 120.932 121.223 -0.043 0.000 2.456 260 L HA 0.055 4.394 4.340 -0.002 0.000 0.224 260 L C 1.673 178.566 176.870 0.037 0.000 1.148 260 L CA 0.754 55.363 54.840 -0.385 0.000 0.825 260 L CB -1.236 40.424 42.059 -0.664 0.000 0.937 260 L HN 0.248 nan 8.230 nan 0.000 0.450 261 Y N 0.399 120.726 120.300 0.045 0.000 2.114 261 Y HA -0.338 4.212 4.550 -0.002 0.000 0.282 261 Y C 2.607 178.588 175.900 0.136 0.000 1.165 261 Y CA 2.127 60.268 58.100 0.068 0.000 1.148 261 Y CB -0.206 38.285 38.460 0.052 0.000 0.972 261 Y HN 0.361 nan 8.280 nan 0.000 0.504 262 S N -1.091 114.780 115.700 0.285 0.000 2.593 262 S HA -0.009 4.460 4.470 -0.002 0.000 0.217 262 S C 1.616 176.290 174.600 0.123 0.000 0.966 262 S CA -0.121 58.162 58.200 0.139 0.000 0.914 262 S CB -1.266 62.051 63.200 0.196 0.000 0.776 262 S HN 0.440 nan 8.310 nan 0.000 0.523 263 F N 2.152 122.091 119.950 -0.018 0.000 2.134 263 F HA -0.031 4.496 4.527 -0.001 0.000 0.299 263 F C 2.858 178.659 175.800 0.001 0.000 1.097 263 F CA 1.018 59.031 58.000 0.022 0.000 1.264 263 F CB -0.454 38.576 39.000 0.050 0.000 1.001 263 F HN 0.380 nan 8.300 nan 0.000 0.479 264 A N -0.094 122.798 122.820 0.119 0.000 1.877 264 A HA -0.175 4.144 4.320 -0.002 0.000 0.216 264 A C 2.045 179.629 177.584 0.001 0.000 1.186 264 A CA 1.348 53.405 52.037 0.032 0.000 0.620 264 A CB -0.436 18.541 19.000 -0.039 0.000 0.822 264 A HN 0.066 nan 8.150 nan 0.000 0.443 265 K N 0.147 120.529 120.400 -0.029 0.000 2.519 265 K HA 0.071 4.390 4.320 -0.002 0.000 0.196 265 K C 1.325 177.917 176.600 -0.013 0.000 1.041 265 K CA 0.973 57.245 56.287 -0.025 0.000 0.954 265 K CB -0.637 31.845 32.500 -0.030 0.000 0.774 265 K HN 0.492 nan 8.250 nan 0.000 0.480 266 A N 0.445 123.258 122.820 -0.012 0.000 2.430 266 A HA 0.106 4.425 4.320 -0.002 0.000 0.243 266 A C -0.398 177.186 177.584 0.001 0.000 1.254 266 A CA -0.116 51.907 52.037 -0.024 0.000 0.914 266 A CB 0.254 19.204 19.000 -0.083 0.000 0.998 266 A HN 0.226 nan 8.150 nan 0.000 0.515 267 D N -1.806 118.607 120.400 0.021 0.000 2.907 267 D HA -0.191 4.449 4.640 -0.002 0.000 0.226 267 D C 0.555 176.896 176.300 0.069 0.000 1.141 267 D CA 1.074 55.095 54.000 0.034 0.000 0.779 267 D CB -1.378 39.434 40.800 0.021 0.000 1.095 267 D HN 0.696 nan 8.370 nan 0.000 0.430 268 A N -0.754 122.139 122.820 0.122 0.000 2.610 268 A HA 0.611 4.930 4.320 -0.002 0.000 0.291 268 A C 0.901 178.722 177.584 0.396 0.000 1.116 268 A CA 0.614 52.803 52.037 0.253 0.000 0.963 268 A CB 0.547 19.700 19.000 0.255 0.000 1.220 268 A HN 0.408 nan 8.150 nan 0.000 0.530 269 A N 1.640 124.599 122.820 0.232 0.000 2.546 269 A HA 0.491 4.810 4.320 -0.002 0.000 0.243 269 A C -2.280 175.384 177.584 0.133 0.000 1.063 269 A CA -0.571 51.580 52.037 0.191 0.000 0.757 269 A CB -0.537 18.508 19.000 0.076 0.000 0.991 269 A HN 0.290 nan 8.150 nan 0.000 0.503 270 P HA -0.020 nan 4.420 nan 0.000 0.266 270 P C 0.244 177.531 177.300 -0.022 0.000 1.193 270 P CA 0.207 63.348 63.100 0.068 0.000 0.770 270 P CB 0.610 32.344 31.700 0.056 0.000 0.836 271 D N 1.566 121.915 120.400 -0.085 0.000 2.201 271 D HA 0.068 4.707 4.640 -0.002 0.000 0.209 271 D C 0.101 176.386 176.300 -0.025 0.000 0.961 271 D CA 0.840 54.790 54.000 -0.083 0.000 0.861 271 D CB 0.227 40.934 40.800 -0.155 0.000 0.997 271 D HN 0.217 nan 8.370 nan 0.000 0.486 272 L N 0.172 121.393 121.223 -0.003 0.000 2.513 272 L HA 0.458 4.797 4.340 -0.002 0.000 0.261 272 L C -1.865 175.035 176.870 0.050 0.000 0.945 272 L CA -0.743 54.114 54.840 0.030 0.000 0.848 272 L CB 2.234 44.315 42.059 0.037 0.000 1.334 272 L HN -0.212 nan 8.230 nan 0.000 0.407 273 V N 5.645 125.588 119.914 0.049 0.000 2.525 273 V HA 0.534 4.653 4.120 -0.002 0.000 0.299 273 V C -1.523 174.597 176.094 0.043 0.000 1.034 273 V CA -0.576 61.748 62.300 0.041 0.000 0.863 273 V CB 1.841 33.662 31.823 -0.003 0.000 0.999 273 V HN 0.718 nan 8.190 nan 0.000 0.423 274 L N 7.990 129.249 121.223 0.059 0.000 2.282 274 L HA 0.609 4.948 4.340 -0.002 0.000 0.287 274 L C -0.069 176.815 176.870 0.024 0.000 1.075 274 L CA 0.152 55.026 54.840 0.057 0.000 0.839 274 L CB 0.872 42.992 42.059 0.102 0.000 1.219 274 L HN 0.765 nan 8.230 nan 0.000 0.434 275 M N 6.693 126.283 119.600 -0.017 0.000 2.084 275 M HA 0.322 4.802 4.480 -0.002 0.000 0.351 275 M C -0.712 175.561 176.300 -0.044 0.000 1.240 275 M CA 0.025 55.287 55.300 -0.064 0.000 1.083 275 M CB 0.723 33.231 32.600 -0.153 0.000 1.593 275 M HN 0.430 nan 8.290 nan 0.000 0.463 276 L N 3.618 124.821 121.223 -0.033 0.000 2.371 276 L HA 0.441 4.780 4.340 -0.002 0.000 0.262 276 L C 0.964 177.811 176.870 -0.039 0.000 1.054 276 L CA -0.290 54.533 54.840 -0.027 0.000 0.924 276 L CB 0.555 42.608 42.059 -0.010 0.000 1.295 276 L HN 1.114 nan 8.230 nan 0.000 0.441 277 G N 1.755 110.526 108.800 -0.049 0.000 2.176 277 G HA2 -0.273 3.686 3.960 -0.002 0.000 0.253 277 G HA3 -0.273 3.686 3.960 -0.002 0.000 0.253 277 G C 0.373 175.229 174.900 -0.072 0.000 0.979 277 G CA 0.057 45.124 45.100 -0.054 0.000 0.641 277 G HN 0.729 nan 8.290 nan 0.000 0.530 278 A N 0.646 123.411 122.820 -0.092 0.000 2.309 278 A HA 0.765 5.084 4.320 -0.002 0.000 0.290 278 A C 0.746 178.231 177.584 -0.164 0.000 1.206 278 A CA -0.157 51.809 52.037 -0.119 0.000 0.850 278 A CB 0.331 19.254 19.000 -0.129 0.000 1.118 278 A HN 0.505 nan 8.150 nan 0.000 0.523 279 R N 1.085 121.522 120.500 -0.105 0.000 2.543 279 R HA 0.396 4.735 4.340 -0.002 0.000 0.268 279 R C -1.114 175.111 176.300 -0.124 0.000 1.067 279 R CA -0.322 55.738 56.100 -0.067 0.000 1.142 279 R CB 0.664 31.008 30.300 0.073 0.000 1.110 279 R HN 0.648 nan 8.270 nan 0.000 0.549 280 F N 0.659 120.626 119.950 0.028 0.000 2.472 280 F HA 0.360 4.886 4.527 -0.002 0.000 0.364 280 F C 1.254 177.048 175.800 -0.011 0.000 1.090 280 F CA 1.023 59.029 58.000 0.009 0.000 1.188 280 F CB 1.147 40.161 39.000 0.023 0.000 1.105 280 F HN 0.669 nan 8.300 nan 0.000 0.536 281 G N 2.153 110.995 108.800 0.071 0.000 2.356 281 G HA2 0.123 4.082 3.960 -0.002 0.000 0.281 281 G HA3 0.123 4.082 3.960 -0.002 0.000 0.281 281 G C -0.295 174.329 174.900 -0.460 0.000 1.246 281 G CA -0.648 44.358 45.100 -0.156 0.000 0.889 281 G HN 0.534 nan 8.290 nan 0.000 0.486 282 L N 0.753 121.678 121.223 -0.496 0.000 2.013 282 L HA -0.035 4.304 4.340 -0.002 0.000 0.212 282 L C 2.248 178.993 176.870 -0.209 0.000 1.073 282 L CA 2.932 57.521 54.840 -0.418 0.000 0.753 282 L CB -0.602 41.393 42.059 -0.107 0.000 0.890 282 L HN 0.547 nan 8.230 nan 0.000 0.432 283 N N -1.078 117.600 118.700 -0.036 0.000 2.396 283 N HA -0.077 4.662 4.740 -0.002 0.000 0.180 283 N C 1.291 176.728 175.510 -0.121 0.000 1.028 283 N CA 1.535 54.531 53.050 -0.090 0.000 0.893 283 N CB -0.315 38.109 38.487 -0.105 0.000 0.967 283 N HN 0.635 nan 8.380 nan 0.000 0.440 284 T N -3.630 110.854 114.554 -0.117 0.000 3.134 284 T HA 0.403 4.752 4.350 -0.002 0.000 0.260 284 T C 1.088 175.758 174.700 -0.050 0.000 1.027 284 T CA 0.151 62.192 62.100 -0.099 0.000 0.913 284 T CB 0.471 69.263 68.868 -0.127 0.000 1.046 284 T HN 0.209 nan 8.240 nan 0.000 0.553 285 G N 1.746 110.490 108.800 -0.093 0.000 2.149 285 G HA2 -0.246 3.714 3.960 -0.002 0.000 0.235 285 G HA3 -0.246 3.714 3.960 -0.002 0.000 0.235 285 G C 0.260 175.226 174.900 0.110 0.000 1.018 285 G CA 0.390 45.496 45.100 0.010 0.000 0.728 285 G HN 0.894 nan 8.290 nan 0.000 0.508 286 H N -1.736 117.395 119.070 0.101 0.000 1.452 286 H HA -0.248 4.307 4.556 -0.002 0.000 0.090 286 H C 2.008 177.418 175.328 0.136 0.000 1.001 286 H CA 2.590 58.699 56.048 0.103 0.000 1.901 286 H CB -1.213 28.574 29.762 0.042 0.000 2.257 286 H HN 1.169 nan 8.280 nan 0.000 0.961 287 G N -0.863 108.071 108.800 0.224 0.000 3.393 287 G HA2 0.227 4.186 3.960 -0.002 0.000 0.255 287 G HA3 0.227 4.186 3.960 -0.002 0.000 0.255 287 G C 1.131 176.148 174.900 0.195 0.000 1.097 287 G CA 0.602 45.771 45.100 0.115 0.000 0.780 287 G HN 0.690 nan 8.290 nan 0.000 0.540 288 S N -0.409 115.386 115.700 0.159 0.000 2.453 288 S HA 0.238 4.707 4.470 -0.002 0.000 0.231 288 S C 2.073 176.613 174.600 -0.099 0.000 1.005 288 S CA 1.172 59.432 58.200 0.101 0.000 0.949 288 S CB -0.240 63.019 63.200 0.097 0.000 0.774 288 S HN 1.414 nan 8.310 nan 0.000 0.510 289 G N 0.816 109.495 108.800 -0.202 0.000 2.148 289 G HA2 -0.322 3.638 3.960 -0.002 0.000 0.254 289 G HA3 -0.322 3.638 3.960 -0.002 0.000 0.254 289 G C 0.623 175.369 174.900 -0.256 0.000 0.981 289 G CA 0.559 45.362 45.100 -0.495 0.000 0.670 289 G HN 0.567 nan 8.290 nan 0.000 0.528 290 Q N -0.975 118.758 119.800 -0.112 0.000 2.230 290 Q HA 0.233 4.572 4.340 -0.002 0.000 0.202 290 Q C 2.557 178.515 176.000 -0.069 0.000 0.963 290 Q CA 1.352 57.109 55.803 -0.077 0.000 0.866 290 Q CB 0.020 28.787 28.738 0.048 0.000 0.931 290 Q HN 0.718 nan 8.270 nan 0.000 0.452 291 L N -0.834 120.358 121.223 -0.052 0.000 2.515 291 L HA 0.178 4.518 4.340 -0.002 0.000 0.202 291 L C 0.383 177.174 176.870 -0.131 0.000 1.056 291 L CA -0.123 54.658 54.840 -0.097 0.000 0.847 291 L CB 0.507 42.517 42.059 -0.081 0.000 1.131 291 L HN 0.064 nan 8.230 nan 0.000 0.484 292 I N 2.183 122.716 120.570 -0.062 0.000 2.310 292 I HA 0.301 4.470 4.170 -0.002 0.000 0.287 292 I C -2.350 173.765 176.117 -0.003 0.000 1.073 292 I CA -2.340 58.952 61.300 -0.014 0.000 1.216 292 I CB -0.109 37.953 38.000 0.103 0.000 1.415 292 I HN -0.203 nan 8.210 nan 0.000 0.480 293 P HA 0.068 nan 4.420 nan 0.000 0.268 293 P C 0.840 178.152 177.300 0.019 0.000 1.205 293 P CA 0.079 63.139 63.100 -0.066 0.000 0.771 293 P CB 0.489 32.170 31.700 -0.031 0.000 0.858 294 H N 0.746 119.825 119.070 0.014 0.000 2.456 294 H HA -0.090 4.465 4.556 -0.002 0.000 0.296 294 H C 1.662 176.992 175.328 0.005 0.000 1.079 294 H CA 2.039 58.090 56.048 0.004 0.000 1.322 294 H CB -0.714 29.044 29.762 -0.007 0.000 1.388 294 H HN 0.428 nan 8.280 nan 0.000 0.538 295 S N -0.463 115.304 115.700 0.111 0.000 2.558 295 S HA 0.334 4.803 4.470 -0.002 0.000 0.217 295 S C 1.239 175.864 174.600 0.043 0.000 0.975 295 S CA 0.033 58.270 58.200 0.062 0.000 0.912 295 S CB 0.173 63.396 63.200 0.039 0.000 0.776 295 S HN 0.405 nan 8.310 nan 0.000 0.526 296 A N 1.305 124.154 122.820 0.048 0.000 2.302 296 A HA 0.526 4.845 4.320 -0.002 0.000 0.285 296 A C 0.032 177.646 177.584 0.049 0.000 1.105 296 A CA -0.652 51.407 52.037 0.037 0.000 0.816 296 A CB 0.396 19.415 19.000 0.031 0.000 1.067 296 A HN 0.466 nan 8.150 nan 0.000 0.489 297 Q N 0.389 120.213 119.800 0.040 0.000 2.279 297 Q HA 0.460 4.799 4.340 -0.002 0.000 0.256 297 Q C -1.118 174.919 176.000 0.061 0.000 0.937 297 Q CA -0.307 55.525 55.803 0.048 0.000 0.933 297 Q CB 1.584 30.345 28.738 0.037 0.000 1.189 297 Q HN 0.474 nan 8.270 nan 0.000 0.417 298 V N 5.108 125.069 119.914 0.079 0.000 2.417 298 V HA 0.408 4.527 4.120 -0.002 0.000 0.291 298 V C -0.204 175.938 176.094 0.080 0.000 1.024 298 V CA -0.582 61.773 62.300 0.092 0.000 0.861 298 V CB 1.384 33.301 31.823 0.157 0.000 0.985 298 V HN 0.641 nan 8.190 nan 0.000 0.436 299 I N 4.706 125.314 120.570 0.064 0.000 2.321 299 I HA 0.460 4.629 4.170 -0.002 0.000 0.291 299 I C -0.045 176.096 176.117 0.040 0.000 0.998 299 I CA -0.114 61.219 61.300 0.055 0.000 1.227 299 I CB 1.341 39.374 38.000 0.055 0.000 1.368 299 I HN 0.606 nan 8.210 nan 0.000 0.466 300 Q N 5.713 125.537 119.800 0.041 0.000 2.331 300 Q HA 0.603 4.942 4.340 -0.002 0.000 0.267 300 Q C -1.685 174.323 176.000 0.014 0.000 1.006 300 Q CA -0.669 55.146 55.803 0.021 0.000 0.818 300 Q CB 2.461 31.229 28.738 0.049 0.000 1.276 300 Q HN 0.507 nan 8.270 nan 0.000 0.450 301 V N 4.478 124.389 119.914 -0.005 0.000 2.407 301 V HA 0.498 4.617 4.120 -0.002 0.000 0.291 301 V C -0.675 175.410 176.094 -0.015 0.000 1.018 301 V CA -0.539 61.756 62.300 -0.008 0.000 0.842 301 V CB 1.651 33.464 31.823 -0.017 0.000 0.996 301 V HN 0.798 nan 8.190 nan 0.000 0.426 302 D N 5.794 126.190 120.400 -0.007 0.000 2.803 302 D HA 0.328 4.967 4.640 -0.002 0.000 0.218 302 D C -2.293 174.004 176.300 -0.005 0.000 1.245 302 D CA -1.160 52.834 54.000 -0.010 0.000 0.821 302 D CB 3.856 44.653 40.800 -0.005 0.000 1.626 302 D HN 0.237 nan 8.370 nan 0.000 0.487 303 P HA 0.010 nan 4.420 nan 0.000 0.230 303 P C 0.001 177.302 177.300 0.002 0.000 1.158 303 P CA 0.585 63.683 63.100 -0.004 0.000 0.769 303 P CB 0.479 32.173 31.700 -0.008 0.000 0.807 304 D N -0.218 120.184 120.400 0.002 0.000 2.414 304 D HA 0.378 5.017 4.640 -0.002 0.000 0.232 304 D C 1.165 177.477 176.300 0.021 0.000 1.070 304 D CA -0.707 53.300 54.000 0.011 0.000 0.839 304 D CB 1.382 42.183 40.800 0.002 0.000 1.079 304 D HN -0.173 nan 8.370 nan 0.000 0.521 305 A N 3.054 125.889 122.820 0.025 0.000 2.032 305 A HA -0.214 4.105 4.320 -0.002 0.000 0.221 305 A C 2.341 179.948 177.584 0.038 0.000 1.165 305 A CA 1.261 53.316 52.037 0.030 0.000 0.645 305 A CB -0.667 18.349 19.000 0.027 0.000 0.807 305 A HN 0.759 nan 8.150 nan 0.000 0.453 306 C N -0.463 118.861 119.300 0.040 0.000 2.411 306 C HA -0.074 4.386 4.460 -0.002 0.000 0.279 306 C C 2.566 177.592 174.990 0.059 0.000 1.288 306 C CA 1.164 60.210 59.018 0.046 0.000 1.764 306 C CB -0.970 26.799 27.740 0.047 0.000 1.974 306 C HN 0.602 nan 8.230 nan 0.000 0.498 307 E N 0.270 120.508 120.200 0.062 0.000 2.208 307 E HA 0.008 4.357 4.350 -0.002 0.000 0.193 307 E C 0.538 177.217 176.600 0.131 0.000 0.988 307 E CA 0.369 56.824 56.400 0.091 0.000 0.828 307 E CB -0.350 29.388 29.700 0.064 0.000 0.763 307 E HN 0.394 nan 8.360 nan 0.000 0.478 308 L N 1.433 122.716 121.223 0.099 0.000 2.774 308 L HA 0.057 4.396 4.340 -0.002 0.000 0.279 308 L C 1.208 178.157 176.870 0.132 0.000 1.137 308 L CA 1.064 55.971 54.840 0.112 0.000 1.021 308 L CB -1.011 41.090 42.059 0.070 0.000 1.366 308 L HN 0.292 nan 8.230 nan 0.000 0.471 309 G N 3.238 112.177 108.800 0.232 0.000 2.246 309 G HA2 -0.383 3.576 3.960 -0.002 0.000 0.273 309 G HA3 -0.383 3.576 3.960 -0.002 0.000 0.273 309 G C 1.297 176.191 174.900 -0.010 0.000 1.055 309 G CA 0.762 45.935 45.100 0.122 0.000 0.851 309 G HN 0.783 nan 8.290 nan 0.000 0.500 310 R N -0.720 119.826 120.500 0.076 0.000 2.120 310 R HA 0.169 4.508 4.340 -0.002 0.000 0.234 310 R C 1.883 178.133 176.300 -0.083 0.000 1.123 310 R CA 1.923 58.035 56.100 0.021 0.000 0.975 310 R CB -0.209 30.142 30.300 0.086 0.000 0.866 310 R HN 0.514 nan 8.270 nan 0.000 0.446 311 L N -0.798 120.277 121.223 -0.247 0.000 2.858 311 L HA 0.365 4.704 4.340 -0.002 0.000 0.251 311 L C 0.120 176.739 176.870 -0.417 0.000 1.149 311 L CA -0.296 54.379 54.840 -0.276 0.000 0.955 311 L CB 0.558 42.523 42.059 -0.157 0.000 1.289 311 L HN 0.259 nan 8.230 nan 0.000 0.542 312 Q N -0.334 119.125 119.800 -0.570 0.000 2.479 312 Q HA 0.414 4.753 4.340 -0.002 0.000 0.276 312 Q C -0.552 175.275 176.000 -0.288 0.000 0.989 312 Q CA -0.575 54.947 55.803 -0.468 0.000 0.864 312 Q CB 2.223 30.560 28.738 -0.667 0.000 1.444 312 Q HN 0.129 nan 8.270 nan 0.000 0.388 313 G N 2.892 111.599 108.800 -0.155 0.000 2.340 313 G HA2 0.398 4.357 3.960 -0.002 0.000 0.245 313 G HA3 0.398 4.357 3.960 -0.002 0.000 0.245 313 G C -0.002 174.897 174.900 -0.001 0.000 1.294 313 G CA -0.016 45.043 45.100 -0.068 0.000 0.896 313 G HN 0.585 nan 8.290 nan 0.000 0.522 314 I N -0.188 120.401 120.570 0.033 0.000 2.910 314 I HA 0.787 4.957 4.170 -0.002 0.000 0.310 314 I C 0.874 177.024 176.117 0.054 0.000 1.043 314 I CA -1.296 60.051 61.300 0.079 0.000 1.053 314 I CB 2.286 40.364 38.000 0.130 0.000 1.242 314 I HN 0.419 nan 8.210 nan 0.000 0.452 315 A N 3.177 126.032 122.820 0.059 0.000 1.997 315 A HA 0.419 4.738 4.320 -0.002 0.000 0.212 315 A C 0.431 178.039 177.584 0.040 0.000 1.178 315 A CA 0.709 52.772 52.037 0.043 0.000 0.698 315 A CB 0.037 19.063 19.000 0.042 0.000 0.842 315 A HN 0.669 nan 8.150 nan 0.000 0.458 316 L N -1.364 119.887 121.223 0.047 0.000 2.543 316 L HA 0.676 5.015 4.340 -0.002 0.000 0.265 316 L C -0.582 176.314 176.870 0.044 0.000 0.945 316 L CA -0.046 54.819 54.840 0.041 0.000 0.869 316 L CB 1.614 43.696 42.059 0.038 0.000 1.294 316 L HN 0.100 nan 8.230 nan 0.000 0.405 317 G N 5.874 114.697 108.800 0.038 0.000 2.605 317 G HA2 0.651 4.610 3.960 -0.002 0.000 0.304 317 G HA3 0.651 4.610 3.960 -0.002 0.000 0.304 317 G C -1.127 173.789 174.900 0.028 0.000 1.333 317 G CA -0.308 44.815 45.100 0.039 0.000 0.973 317 G HN 0.541 nan 8.290 nan 0.000 0.507 318 I N 2.529 123.112 120.570 0.023 0.000 2.389 318 I HA 0.293 4.462 4.170 -0.002 0.000 0.288 318 I C -0.112 176.011 176.117 0.010 0.000 0.999 318 I CA -1.202 60.106 61.300 0.013 0.000 1.129 318 I CB 2.329 40.333 38.000 0.007 0.000 1.288 318 I HN 0.262 nan 8.210 nan 0.000 0.444 319 V N 6.848 126.767 119.914 0.009 0.000 2.348 319 V HA 0.914 5.033 4.120 -0.002 0.000 0.270 319 V C -0.085 176.010 176.094 0.001 0.000 1.037 319 V CA 0.289 62.593 62.300 0.006 0.000 0.872 319 V CB 0.534 32.363 31.823 0.010 0.000 1.002 319 V HN 0.916 nan 8.190 nan 0.000 0.464 320 A N 4.394 127.212 122.820 -0.003 0.000 2.511 320 A HA 0.596 4.915 4.320 -0.002 0.000 0.293 320 A C -1.224 176.354 177.584 -0.010 0.000 1.098 320 A CA -0.495 51.538 52.037 -0.007 0.000 0.643 320 A CB 1.067 20.060 19.000 -0.012 0.000 1.302 320 A HN 0.886 nan 8.150 nan 0.000 0.446 321 D N -0.425 119.969 120.400 -0.010 0.000 2.304 321 D HA 0.430 5.070 4.640 -0.002 0.000 0.250 321 D C 1.097 177.386 176.300 -0.019 0.000 1.107 321 D CA 0.028 54.022 54.000 -0.011 0.000 0.885 321 D CB 1.364 42.162 40.800 -0.003 0.000 1.192 321 D HN 0.211 nan 8.370 nan 0.000 0.436 322 V N 3.814 123.715 119.914 -0.022 0.000 2.343 322 V HA -0.087 4.032 4.120 -0.002 0.000 0.247 322 V C 2.294 178.369 176.094 -0.031 0.000 1.051 322 V CA 2.222 64.505 62.300 -0.029 0.000 1.036 322 V CB -0.858 30.948 31.823 -0.027 0.000 0.654 322 V HN 0.830 nan 8.190 nan 0.000 0.451 323 G N -0.001 108.786 108.800 -0.020 0.000 2.418 323 G HA2 -0.143 3.816 3.960 -0.002 0.000 0.217 323 G HA3 -0.143 3.816 3.960 -0.002 0.000 0.217 323 G C 1.638 176.527 174.900 -0.017 0.000 1.158 323 G CA 0.903 45.994 45.100 -0.015 0.000 0.771 323 G HN 0.584 nan 8.290 nan 0.000 0.545 324 G N 0.158 108.952 108.800 -0.011 0.000 2.422 324 G HA2 -0.141 3.818 3.960 -0.002 0.000 0.218 324 G HA3 -0.141 3.818 3.960 -0.002 0.000 0.218 324 G C 1.833 176.706 174.900 -0.045 0.000 1.146 324 G CA 1.749 46.841 45.100 -0.014 0.000 0.769 324 G HN 0.390 nan 8.290 nan 0.000 0.547 325 T N 1.265 115.785 114.554 -0.056 0.000 2.737 325 T HA -0.019 4.330 4.350 -0.002 0.000 0.265 325 T C 2.397 177.007 174.700 -0.149 0.000 1.038 325 T CA 0.897 62.944 62.100 -0.089 0.000 1.144 325 T CB -0.155 68.667 68.868 -0.077 0.000 0.866 325 T HN 0.238 nan 8.240 nan 0.000 0.434 326 I N 0.876 121.364 120.570 -0.137 0.000 2.151 326 I HA -0.214 3.955 4.170 -0.002 0.000 0.243 326 I C 2.738 178.754 176.117 -0.168 0.000 1.080 326 I CA 1.407 62.600 61.300 -0.179 0.000 1.339 326 I CB -0.334 37.614 38.000 -0.086 0.000 1.039 326 I HN 0.204 nan 8.210 nan 0.000 0.409 327 E N 0.979 121.122 120.200 -0.095 0.000 2.097 327 E HA -0.242 4.107 4.350 -0.002 0.000 0.196 327 E C 2.129 178.676 176.600 -0.088 0.000 1.000 327 E CA 1.794 58.152 56.400 -0.070 0.000 0.804 327 E CB -0.196 29.481 29.700 -0.039 0.000 0.740 327 E HN 0.478 nan 8.360 nan 0.000 0.454 328 A N -0.114 122.645 122.820 -0.103 0.000 1.930 328 A HA -0.095 4.224 4.320 -0.002 0.000 0.217 328 A C 2.212 179.720 177.584 -0.127 0.000 1.175 328 A CA 1.088 53.069 52.037 -0.093 0.000 0.627 328 A CB -0.558 18.395 19.000 -0.078 0.000 0.815 328 A HN 0.294 nan 8.150 nan 0.000 0.443 329 L N -0.790 120.284 121.223 -0.248 0.000 2.056 329 L HA -0.174 4.165 4.340 -0.002 0.000 0.207 329 L C 3.063 179.786 176.870 -0.246 0.000 1.078 329 L CA 1.054 55.649 54.840 -0.410 0.000 0.749 329 L CB -0.465 40.980 42.059 -1.023 0.000 0.901 329 L HN 0.422 nan 8.230 nan 0.000 0.433 330 A N -0.763 121.956 122.820 -0.168 0.000 1.930 330 A HA -0.256 4.063 4.320 -0.002 0.000 0.217 330 A C 2.275 179.877 177.584 0.030 0.000 1.175 330 A CA 1.634 53.678 52.037 0.011 0.000 0.627 330 A CB -0.498 18.512 19.000 0.017 0.000 0.815 330 A HN 0.478 nan 8.150 nan 0.000 0.443 331 Q N -0.564 119.234 119.800 -0.003 0.000 2.079 331 Q HA -0.115 4.224 4.340 -0.002 0.000 0.200 331 Q C 2.191 178.215 176.000 0.040 0.000 0.974 331 Q CA 1.443 57.254 55.803 0.012 0.000 0.840 331 Q CB -0.303 28.430 28.738 -0.009 0.000 0.898 331 Q HN 0.601 nan 8.270 nan 0.000 0.430 332 A N -0.435 122.412 122.820 0.044 0.000 1.969 332 A HA -0.122 4.197 4.320 -0.002 0.000 0.218 332 A C 2.102 179.779 177.584 0.154 0.000 1.169 332 A CA 1.788 53.876 52.037 0.085 0.000 0.635 332 A CB -0.636 18.414 19.000 0.083 0.000 0.810 332 A HN 0.405 nan 8.150 nan 0.000 0.445 333 T N -1.088 113.572 114.554 0.176 0.000 3.081 333 T HA 0.313 4.662 4.350 -0.002 0.000 0.255 333 T C 1.836 176.649 174.700 0.188 0.000 1.113 333 T CA 0.891 63.143 62.100 0.254 0.000 1.082 333 T CB -0.213 68.812 68.868 0.261 0.000 0.939 333 T HN 0.500 nan 8.240 nan 0.000 0.506 334 A N 1.049 123.944 122.820 0.124 0.000 1.970 334 A HA -0.027 4.292 4.320 -0.002 0.000 0.216 334 A C 2.296 179.934 177.584 0.090 0.000 1.170 334 A CA 0.742 52.835 52.037 0.092 0.000 0.645 334 A CB -0.178 18.858 19.000 0.061 0.000 0.816 334 A HN 0.501 nan 8.150 nan 0.000 0.447 335 Q N -0.123 119.732 119.800 0.091 0.000 2.137 335 Q HA -0.126 4.213 4.340 -0.002 0.000 0.198 335 Q C 1.304 177.359 176.000 0.091 0.000 0.960 335 Q CA 1.290 57.138 55.803 0.075 0.000 0.847 335 Q CB -0.393 28.381 28.738 0.060 0.000 0.915 335 Q HN 0.629 nan 8.270 nan 0.000 0.448 336 D N 0.727 121.211 120.400 0.140 0.000 2.087 336 D HA -0.061 4.578 4.640 -0.002 0.000 0.203 336 D C 0.963 177.355 176.300 0.153 0.000 0.976 336 D CA 2.234 56.325 54.000 0.151 0.000 0.865 336 D CB -0.093 40.871 40.800 0.274 0.000 1.005 336 D HN 0.207 nan 8.370 nan 0.000 0.449 337 A N -1.360 121.640 122.820 0.301 0.000 3.132 337 A HA -0.148 4.172 4.320 -0.002 0.000 0.266 337 A C 0.797 178.520 177.584 0.233 0.000 1.216 337 A CA 1.555 53.765 52.037 0.289 0.000 0.985 337 A CB -2.253 16.840 19.000 0.153 0.000 1.102 337 A HN 0.792 nan 8.150 nan 0.000 0.833 338 A N -0.968 121.891 122.820 0.065 0.000 2.690 338 A HA 0.558 4.877 4.320 -0.002 0.000 0.342 338 A C -0.564 176.868 177.584 -0.253 0.000 1.410 338 A CA -0.152 51.843 52.037 -0.070 0.000 0.958 338 A CB -0.249 18.674 19.000 -0.129 0.000 1.153 338 A HN 0.884 nan 8.150 nan 0.000 0.497 339 W N 1.701 123.007 121.300 0.010 0.000 2.702 339 W HA 0.569 5.228 4.660 -0.002 0.000 0.331 339 W C -2.173 174.350 176.519 0.006 0.000 1.049 339 W CA -1.842 55.508 57.345 0.008 0.000 1.230 339 W CB 0.978 30.438 29.460 0.001 0.000 1.408 339 W HN 0.437 nan 8.180 nan 0.000 0.492 340 P HA -0.002 nan 4.420 nan 0.000 0.269 340 P C 0.513 177.901 177.300 0.147 0.000 1.215 340 P CA 0.028 63.207 63.100 0.132 0.000 0.780 340 P CB 0.988 32.751 31.700 0.105 0.000 0.898 341 D N 1.737 122.198 120.400 0.101 0.000 2.120 341 D HA -0.256 4.383 4.640 -0.002 0.000 0.191 341 D C 0.590 176.950 176.300 0.100 0.000 0.994 341 D CA 1.542 55.595 54.000 0.089 0.000 0.838 341 D CB 0.095 40.935 40.800 0.067 0.000 0.976 341 D HN 0.238 nan 8.370 nan 0.000 0.447 342 R N -1.915 118.657 120.500 0.121 0.000 3.954 342 R HA -0.133 4.206 4.340 -0.002 0.000 0.422 342 R C 1.467 177.860 176.300 0.154 0.000 1.091 342 R CA 0.869 57.073 56.100 0.172 0.000 1.168 342 R CB -2.537 27.873 30.300 0.183 0.000 1.752 342 R HN 0.436 nan 8.270 nan 0.000 0.547 343 G N 1.085 109.945 108.800 0.100 0.000 2.421 343 G HA2 -0.272 3.687 3.960 -0.002 0.000 0.216 343 G HA3 -0.272 3.687 3.960 -0.002 0.000 0.216 343 G C 1.062 176.008 174.900 0.077 0.000 1.171 343 G CA 1.164 46.303 45.100 0.065 0.000 0.775 343 G HN 0.302 nan 8.290 nan 0.000 0.543 344 D N -0.496 119.969 120.400 0.108 0.000 2.123 344 D HA -0.123 4.516 4.640 -0.002 0.000 0.196 344 D C 1.875 178.290 176.300 0.193 0.000 0.992 344 D CA 0.641 54.715 54.000 0.123 0.000 0.833 344 D CB -0.473 40.400 40.800 0.122 0.000 0.954 344 D HN 0.595 nan 8.370 nan 0.000 0.455 345 W N 1.062 122.382 121.300 0.033 0.000 2.358 345 W HA -0.230 4.429 4.660 -0.002 0.000 0.303 345 W C 1.825 178.383 176.519 0.065 0.000 1.208 345 W CA 0.693 58.072 57.345 0.056 0.000 1.274 345 W CB -0.251 29.249 29.460 0.066 0.000 1.138 345 W HN -0.007 nan 8.180 nan 0.000 0.515 346 C N 0.848 120.092 119.300 -0.093 0.000 2.425 346 C HA -0.117 4.342 4.460 -0.002 0.000 0.277 346 C C 3.159 178.041 174.990 -0.180 0.000 1.280 346 C CA 1.633 60.517 59.018 -0.224 0.000 1.744 346 C CB -1.587 26.085 27.740 -0.114 0.000 1.989 346 C HN 0.496 nan 8.230 nan 0.000 0.491 347 A N 0.435 123.203 122.820 -0.086 0.000 1.930 347 A HA -0.192 4.127 4.320 -0.002 0.000 0.217 347 A C 2.069 179.601 177.584 -0.086 0.000 1.175 347 A CA 2.130 54.127 52.037 -0.067 0.000 0.627 347 A CB -0.437 18.549 19.000 -0.022 0.000 0.815 347 A HN 0.544 nan 8.150 nan 0.000 0.443 348 K N -0.098 120.249 120.400 -0.088 0.000 2.026 348 K HA -0.061 4.258 4.320 -0.002 0.000 0.208 348 K C 1.720 178.185 176.600 -0.225 0.000 1.048 348 K CA 1.766 57.987 56.287 -0.111 0.000 0.929 348 K CB -0.688 31.824 32.500 0.020 0.000 0.713 348 K HN 0.158 nan 8.250 nan 0.000 0.439 349 V N 0.530 120.248 119.914 -0.326 0.000 2.252 349 V HA -0.314 3.805 4.120 -0.002 0.000 0.249 349 V C 2.201 178.246 176.094 -0.081 0.000 1.056 349 V CA 2.453 64.656 62.300 -0.163 0.000 1.022 349 V CB -0.832 30.832 31.823 -0.264 0.000 0.641 349 V HN 0.493 nan 8.190 nan 0.000 0.445 350 T N -0.437 114.039 114.554 -0.129 0.000 2.684 350 T HA -0.219 4.130 4.350 -0.002 0.000 0.267 350 T C 1.642 176.301 174.700 -0.068 0.000 1.036 350 T CA 1.898 63.940 62.100 -0.097 0.000 1.148 350 T CB -0.425 68.379 68.868 -0.106 0.000 0.863 350 T HN 0.513 nan 8.240 nan 0.000 0.436 351 D N 0.738 121.091 120.400 -0.079 0.000 2.178 351 D HA 0.007 4.646 4.640 -0.002 0.000 0.201 351 D C 2.093 178.357 176.300 -0.061 0.000 0.980 351 D CA 0.641 54.603 54.000 -0.063 0.000 0.842 351 D CB -0.330 40.432 40.800 -0.064 0.000 0.948 351 D HN 0.335 nan 8.370 nan 0.000 0.472 352 L N 0.450 121.610 121.223 -0.104 0.000 2.072 352 L HA -0.075 4.264 4.340 -0.002 0.000 0.205 352 L C 2.477 179.358 176.870 0.019 0.000 1.079 352 L CA 0.958 55.730 54.840 -0.113 0.000 0.752 352 L CB -0.330 41.508 42.059 -0.368 0.000 0.906 352 L HN -0.029 nan 8.230 nan 0.000 0.436 353 A N -0.306 122.556 122.820 0.070 0.000 1.902 353 A HA -0.287 4.032 4.320 -0.002 0.000 0.217 353 A C 2.197 179.843 177.584 0.102 0.000 1.181 353 A CA 1.962 54.068 52.037 0.116 0.000 0.623 353 A CB -0.514 18.541 19.000 0.092 0.000 0.818 353 A HN 0.417 nan 8.150 nan 0.000 0.443 354 Q N -0.025 119.806 119.800 0.051 0.000 2.230 354 Q HA -0.111 4.228 4.340 -0.002 0.000 0.202 354 Q C 1.797 177.861 176.000 0.108 0.000 0.963 354 Q CA 2.044 57.882 55.803 0.059 0.000 0.866 354 Q CB -0.332 28.406 28.738 -0.000 0.000 0.931 354 Q HN 0.745 nan 8.270 nan 0.000 0.452 355 E N -0.377 119.865 120.200 0.070 0.000 2.072 355 E HA -0.177 4.172 4.350 -0.002 0.000 0.191 355 E C 2.000 178.650 176.600 0.083 0.000 0.985 355 E CA 0.608 57.044 56.400 0.061 0.000 0.801 355 E CB -0.044 29.669 29.700 0.023 0.000 0.750 355 E HN 0.285 nan 8.360 nan 0.000 0.452 356 R N -0.311 120.251 120.500 0.103 0.000 2.080 356 R HA -0.217 4.122 4.340 -0.002 0.000 0.236 356 R C 2.306 178.671 176.300 0.108 0.000 1.137 356 R CA 1.838 57.998 56.100 0.101 0.000 0.943 356 R CB -0.560 29.817 30.300 0.128 0.000 0.846 356 R HN 0.285 nan 8.270 nan 0.000 0.431 357 Y N 0.572 120.906 120.300 0.057 0.000 2.081 357 Y HA -0.300 4.249 4.550 -0.002 0.000 0.280 357 Y C 2.191 178.130 175.900 0.066 0.000 1.163 357 Y CA 2.207 60.365 58.100 0.097 0.000 1.135 357 Y CB -0.396 38.143 38.460 0.131 0.000 0.970 357 Y HN 0.244 nan 8.280 nan 0.000 0.498 358 A N -1.259 121.709 122.820 0.247 0.000 1.969 358 A HA -0.181 4.138 4.320 -0.002 0.000 0.218 358 A C 2.433 180.025 177.584 0.014 0.000 1.169 358 A CA 1.781 53.904 52.037 0.144 0.000 0.635 358 A CB -1.241 17.844 19.000 0.142 0.000 0.810 358 A HN 0.538 nan 8.150 nan 0.000 0.445 359 S N -0.133 115.562 115.700 -0.009 0.000 2.355 359 S HA -0.122 4.347 4.470 -0.002 0.000 0.222 359 S C 1.940 176.460 174.600 -0.133 0.000 1.031 359 S CA 1.382 59.554 58.200 -0.046 0.000 0.993 359 S CB -0.450 62.738 63.200 -0.021 0.000 0.859 359 S HN 0.381 nan 8.310 nan 0.000 0.453 360 I N 2.514 122.941 120.570 -0.239 0.000 2.163 360 I HA -0.126 4.043 4.170 -0.002 0.000 0.243 360 I C 2.949 178.724 176.117 -0.570 0.000 1.085 360 I CA 1.532 62.553 61.300 -0.465 0.000 1.347 360 I CB -2.106 35.406 38.000 -0.813 0.000 1.044 360 I HN 0.421 nan 8.210 nan 0.000 0.408 361 A N 0.958 123.505 122.820 -0.455 0.000 1.933 361 A HA -0.023 4.296 4.320 -0.002 0.000 0.218 361 A C 2.464 179.998 177.584 -0.083 0.000 1.175 361 A CA 1.730 53.663 52.037 -0.174 0.000 0.628 361 A CB -0.721 18.307 19.000 0.046 0.000 0.814 361 A HN 0.430 nan 8.150 nan 0.000 0.444 362 A N -1.052 121.723 122.820 -0.075 0.000 2.168 362 A HA 0.003 4.322 4.320 -0.002 0.000 0.215 362 A C 1.891 179.443 177.584 -0.054 0.000 1.152 362 A CA 1.390 53.406 52.037 -0.035 0.000 0.716 362 A CB -0.221 18.769 19.000 -0.017 0.000 0.794 362 A HN 0.501 nan 8.150 nan 0.000 0.465 363 K N -0.333 119.999 120.400 -0.112 0.000 2.355 363 K HA 0.172 4.491 4.320 -0.002 0.000 0.198 363 K C -0.342 176.171 176.600 -0.145 0.000 1.039 363 K CA 0.028 56.259 56.287 -0.094 0.000 1.075 363 K CB 0.592 33.045 32.500 -0.077 0.000 0.870 363 K HN 0.294 nan 8.250 nan 0.000 0.540 364 S N 0.920 116.442 115.700 -0.296 0.000 2.438 364 S HA 0.235 4.704 4.470 -0.002 0.000 0.293 364 S C -0.481 173.978 174.600 -0.235 0.000 1.141 364 S CA -0.511 57.302 58.200 -0.644 0.000 1.080 364 S CB 1.664 64.142 63.200 -1.204 0.000 0.978 364 S HN 0.057 nan 8.310 nan 0.000 0.479 365 S N 1.910 117.585 115.700 -0.040 0.000 2.513 365 S HA 0.521 4.990 4.470 -0.002 0.000 0.299 365 S C 0.226 174.967 174.600 0.236 0.000 1.087 365 S CA -0.630 57.661 58.200 0.151 0.000 1.012 365 S CB 1.521 64.787 63.200 0.110 0.000 1.044 365 S HN 0.466 nan 8.310 nan 0.000 0.485 366 S N 2.254 118.099 115.700 0.242 0.000 2.650 366 S HA 0.208 4.678 4.470 -0.002 0.000 0.240 366 S C 0.111 174.776 174.600 0.109 0.000 1.007 366 S CA -0.415 57.906 58.200 0.201 0.000 0.984 366 S CB -0.026 63.307 63.200 0.221 0.000 0.910 366 S HN 0.821 nan 8.310 nan 0.000 0.509 367 E N 1.110 121.376 120.200 0.110 0.000 2.351 367 E HA 0.001 4.350 4.350 -0.002 0.000 0.266 367 E C 0.049 176.764 176.600 0.191 0.000 1.031 367 E CA 0.333 56.801 56.400 0.113 0.000 0.911 367 E CB 0.079 29.865 29.700 0.142 0.000 0.986 367 E HN 0.447 nan 8.360 nan 0.000 0.446 368 H N 0.596 119.682 119.070 0.027 0.000 3.641 368 H HA -0.251 4.304 4.556 -0.002 0.000 0.193 368 H C -0.845 174.495 175.328 0.021 0.000 1.013 368 H CA 1.351 57.413 56.048 0.023 0.000 1.212 368 H CB -1.204 28.571 29.762 0.021 0.000 1.089 368 H HN 0.622 nan 8.280 nan 0.000 0.339 369 A N -0.303 122.576 122.820 0.098 0.000 2.583 369 A HA 0.492 4.811 4.320 -0.002 0.000 0.298 369 A C -1.356 176.257 177.584 0.048 0.000 1.055 369 A CA -0.571 51.499 52.037 0.055 0.000 0.714 369 A CB 0.772 19.802 19.000 0.050 0.000 1.277 369 A HN 0.257 nan 8.150 nan 0.000 0.406 370 L N 2.417 123.650 121.223 0.017 0.000 2.433 370 L HA 0.354 4.693 4.340 -0.002 0.000 0.275 370 L C 0.405 177.283 176.870 0.013 0.000 1.128 370 L CA 0.530 55.390 54.840 0.034 0.000 0.875 370 L CB -0.318 41.734 42.059 -0.012 0.000 1.171 370 L HN 0.777 nan 8.230 nan 0.000 0.463 371 H N 6.954 126.013 119.070 -0.020 0.000 2.803 371 H HA 0.173 4.728 4.556 -0.002 0.000 0.330 371 H C -1.691 173.466 175.328 -0.285 0.000 1.057 371 H CA -0.915 55.022 56.048 -0.185 0.000 1.458 371 H CB 1.102 30.700 29.762 -0.273 0.000 1.470 371 H HN 0.553 nan 8.280 nan 0.000 0.560 372 P HA -0.227 nan 4.420 nan 0.000 0.216 372 P C 1.088 178.218 177.300 -0.282 0.000 1.150 372 P CA 1.268 64.073 63.100 -0.492 0.000 0.843 372 P CB -0.022 31.051 31.700 -1.045 0.000 0.787 373 F N -0.501 119.201 119.950 -0.414 0.000 2.113 373 F HA -0.232 4.294 4.527 -0.002 0.000 0.297 373 F C 2.457 178.185 175.800 -0.120 0.000 1.103 373 F CA 1.519 59.363 58.000 -0.260 0.000 1.248 373 F CB -0.421 38.324 39.000 -0.425 0.000 0.999 373 F HN -0.031 nan 8.300 nan 0.000 0.475 374 H N 0.143 119.173 119.070 -0.067 0.000 2.387 374 H HA -0.119 4.436 4.556 -0.002 0.000 0.299 374 H C 2.353 177.644 175.328 -0.062 0.000 1.099 374 H CA 1.225 57.208 56.048 -0.109 0.000 1.315 374 H CB -1.105 28.648 29.762 -0.016 0.000 1.380 374 H HN 0.419 nan 8.280 nan 0.000 0.513 375 A N 0.444 123.328 122.820 0.106 0.000 1.933 375 A HA -0.146 4.173 4.320 -0.002 0.000 0.218 375 A C 2.710 180.402 177.584 0.181 0.000 1.175 375 A CA 1.692 53.831 52.037 0.171 0.000 0.628 375 A CB -0.542 18.474 19.000 0.027 0.000 0.814 375 A HN 0.364 nan 8.150 nan 0.000 0.444 376 S N -0.245 115.481 115.700 0.044 0.000 2.368 376 S HA -0.218 4.251 4.470 -0.002 0.000 0.225 376 S C 2.064 176.642 174.600 -0.036 0.000 1.030 376 S CA 1.544 59.762 58.200 0.030 0.000 0.999 376 S CB -0.354 62.861 63.200 0.025 0.000 0.844 376 S HN 0.698 nan 8.310 nan 0.000 0.459 377 Q N 0.342 120.045 119.800 -0.161 0.000 2.135 377 Q HA -0.091 4.248 4.340 -0.002 0.000 0.204 377 Q C 2.221 178.183 176.000 -0.065 0.000 0.981 377 Q CA 1.272 56.987 55.803 -0.145 0.000 0.856 377 Q CB -0.339 28.276 28.738 -0.205 0.000 0.902 377 Q HN 0.376 nan 8.270 nan 0.000 0.425 378 V N 0.769 120.663 119.914 -0.033 0.000 2.427 378 V HA -0.254 3.865 4.120 -0.002 0.000 0.248 378 V C 2.049 178.096 176.094 -0.079 0.000 1.051 378 V CA 1.518 63.761 62.300 -0.095 0.000 1.048 378 V CB -0.391 31.321 31.823 -0.184 0.000 0.666 378 V HN 0.348 nan 8.190 nan 0.000 0.456 379 I N 0.495 121.061 120.570 -0.007 0.000 2.252 379 I HA -0.192 3.977 4.170 -0.002 0.000 0.245 379 I C 2.691 178.840 176.117 0.054 0.000 1.102 379 I CA 1.351 62.675 61.300 0.040 0.000 1.385 379 I CB -0.640 37.417 38.000 0.096 0.000 1.064 379 I HN 0.267 nan 8.210 nan 0.000 0.414 380 A N 1.915 124.745 122.820 0.016 0.000 1.986 380 A HA -0.260 4.060 4.320 -0.002 0.000 0.220 380 A C 2.196 179.754 177.584 -0.043 0.000 1.171 380 A CA 2.124 54.158 52.037 -0.005 0.000 0.640 380 A CB -0.712 18.282 19.000 -0.009 0.000 0.811 380 A HN 0.598 nan 8.150 nan 0.000 0.451 381 K N -1.530 118.812 120.400 -0.097 0.000 2.555 381 K HA -0.067 4.252 4.320 -0.002 0.000 0.193 381 K C 0.835 177.243 176.600 -0.320 0.000 1.032 381 K CA 1.238 57.401 56.287 -0.208 0.000 1.004 381 K CB -0.252 32.092 32.500 -0.260 0.000 0.804 381 K HN 0.637 nan 8.250 nan 0.000 0.496 382 H N 0.378 119.400 119.070 -0.079 0.000 2.652 382 H HA 0.183 4.738 4.556 -0.002 0.000 0.274 382 H C -0.241 175.056 175.328 -0.051 0.000 1.021 382 H CA -0.185 55.820 56.048 -0.072 0.000 1.187 382 H CB 0.831 30.539 29.762 -0.090 0.000 1.505 382 H HN -0.069 nan 8.280 nan 0.000 0.530 383 V N 4.137 124.076 119.914 0.042 0.000 2.432 383 V HA 0.134 4.253 4.120 -0.002 0.000 0.271 383 V C 0.170 176.261 176.094 -0.004 0.000 1.046 383 V CA -0.094 62.220 62.300 0.024 0.000 0.945 383 V CB 1.138 32.970 31.823 0.015 0.000 0.992 383 V HN 0.485 nan 8.190 nan 0.000 0.471 384 D N 4.210 124.611 120.400 0.001 0.000 3.103 384 D HA 0.396 5.035 4.640 -0.002 0.000 0.337 384 D C 0.861 177.158 176.300 -0.005 0.000 1.356 384 D CA 0.037 54.030 54.000 -0.011 0.000 0.951 384 D CB 1.067 41.856 40.800 -0.018 0.000 1.438 384 D HN 0.372 nan 8.370 nan 0.000 0.562 385 A N -0.542 122.273 122.820 -0.010 0.000 2.019 385 A HA 0.211 4.530 4.320 -0.002 0.000 0.219 385 A C 1.799 179.381 177.584 -0.003 0.000 1.164 385 A CA 1.865 53.898 52.037 -0.007 0.000 0.644 385 A CB -1.306 17.687 19.000 -0.012 0.000 0.805 385 A HN 0.661 nan 8.150 nan 0.000 0.449 386 G N -1.068 107.732 108.800 -0.000 0.000 3.314 386 G HA2 0.422 4.381 3.960 -0.002 0.000 0.238 386 G HA3 0.422 4.381 3.960 -0.002 0.000 0.238 386 G C -0.212 174.692 174.900 0.006 0.000 1.184 386 G CA 0.280 45.381 45.100 0.003 0.000 0.806 386 G HN 0.236 nan 8.290 nan 0.000 0.536 387 V N 0.075 119.995 119.914 0.009 0.000 2.686 387 V HA 0.430 4.549 4.120 -0.002 0.000 0.306 387 V C -0.450 175.655 176.094 0.019 0.000 1.065 387 V CA -0.686 61.622 62.300 0.014 0.000 0.894 387 V CB 2.179 34.015 31.823 0.021 0.000 1.004 387 V HN 0.067 nan 8.190 nan 0.000 0.424 388 T N 3.900 118.461 114.554 0.012 0.000 2.767 388 T HA 0.579 4.929 4.350 -0.002 0.000 0.284 388 T C -0.356 174.355 174.700 0.018 0.000 0.973 388 T CA -0.332 61.777 62.100 0.014 0.000 0.996 388 T CB 1.511 70.371 68.868 -0.014 0.000 0.927 388 T HN 0.358 nan 8.240 nan 0.000 0.456 389 V N 4.450 124.400 119.914 0.061 0.000 2.398 389 V HA 0.461 4.580 4.120 -0.002 0.000 0.286 389 V C -0.156 175.904 176.094 -0.057 0.000 1.026 389 V CA -0.667 61.675 62.300 0.070 0.000 0.868 389 V CB 1.677 33.639 31.823 0.231 0.000 0.982 389 V HN 0.696 nan 8.190 nan 0.000 0.443 390 V N 3.974 123.812 119.914 -0.127 0.000 2.459 390 V HA 0.855 4.974 4.120 -0.002 0.000 0.295 390 V C 0.222 176.157 176.094 -0.264 0.000 1.029 390 V CA -0.529 61.617 62.300 -0.256 0.000 0.874 390 V CB 1.688 33.378 31.823 -0.220 0.000 0.985 390 V HN 0.968 nan 8.190 nan 0.000 0.438 391 A N 3.158 125.733 122.820 -0.409 0.000 2.343 391 A HA 0.816 5.136 4.320 -0.002 0.000 0.316 391 A C -0.945 176.364 177.584 -0.458 0.000 1.104 391 A CA -0.402 51.437 52.037 -0.330 0.000 0.768 391 A CB 1.471 20.303 19.000 -0.280 0.000 1.213 391 A HN 0.754 nan 8.150 nan 0.000 0.456 392 D N 0.654 120.892 120.400 -0.271 0.000 2.566 392 D HA 0.606 5.245 4.640 -0.002 0.000 0.254 392 D C 0.648 177.009 176.300 0.101 0.000 1.090 392 D CA 0.766 54.616 54.000 -0.250 0.000 1.034 392 D CB 1.881 42.581 40.800 -0.168 0.000 1.434 392 D HN 1.489 nan 8.370 nan 0.000 0.509 393 G N 0.437 109.418 108.800 0.301 0.000 2.171 393 G HA2 0.191 4.150 3.960 -0.002 0.000 0.238 393 G HA3 0.191 4.150 3.960 -0.002 0.000 0.238 393 G C 0.881 175.975 174.900 0.323 0.000 1.039 393 G CA 0.969 46.245 45.100 0.294 0.000 0.759 393 G HN 1.516 nan 8.290 nan 0.000 0.501 394 A N -1.288 121.827 122.820 0.493 0.000 5.195 394 A HA -0.335 3.984 4.320 -0.002 0.000 0.310 394 A C 1.957 179.450 177.584 -0.152 0.000 1.951 394 A CA 2.332 54.467 52.037 0.164 0.000 0.714 394 A CB -1.563 17.510 19.000 0.122 0.000 1.301 394 A HN 1.349 nan 8.150 nan 0.000 0.369 395 L N -0.367 120.807 121.223 -0.082 0.000 2.051 395 L HA -0.262 4.077 4.340 -0.002 0.000 0.214 395 L C 2.799 179.700 176.870 0.051 0.000 1.076 395 L CA 2.543 57.335 54.840 -0.079 0.000 0.758 395 L CB -1.023 41.030 42.059 -0.010 0.000 0.890 395 L HN 0.897 nan 8.230 nan 0.000 0.433 396 T N -0.590 114.027 114.554 0.106 0.000 2.624 396 T HA -0.282 4.067 4.350 -0.002 0.000 0.268 396 T C 1.619 176.431 174.700 0.186 0.000 1.041 396 T CA 2.314 64.513 62.100 0.164 0.000 1.159 396 T CB -0.526 68.422 68.868 0.133 0.000 0.863 396 T HN 0.606 nan 8.240 nan 0.000 0.434 397 Y N 0.956 121.316 120.300 0.101 0.000 2.395 397 Y HA 0.283 4.832 4.550 -0.001 0.000 0.293 397 Y C 1.936 177.897 175.900 0.101 0.000 1.123 397 Y CA 0.257 58.401 58.100 0.073 0.000 1.227 397 Y CB -0.857 37.585 38.460 -0.031 0.000 1.012 397 Y HN 0.108 nan 8.280 nan 0.000 0.552 398 L N -1.081 119.867 121.223 -0.459 0.000 2.056 398 L HA -0.152 4.187 4.340 -0.002 0.000 0.207 398 L C 2.175 178.976 176.870 -0.115 0.000 1.078 398 L CA 1.601 56.238 54.840 -0.338 0.000 0.749 398 L CB -0.646 41.112 42.059 -0.502 0.000 0.901 398 L HN 0.328 nan 8.230 nan 0.000 0.433 399 W N -0.351 120.956 121.300 0.011 0.000 2.379 399 W HA -0.191 4.468 4.660 -0.002 0.000 0.307 399 W C 2.391 179.005 176.519 0.158 0.000 1.200 399 W CA 0.189 57.600 57.345 0.110 0.000 1.297 399 W CB -0.287 29.240 29.460 0.112 0.000 1.140 399 W HN 0.043 nan 8.180 nan 0.000 0.507 400 L N 1.081 122.523 121.223 0.365 0.000 2.127 400 L HA -0.242 4.097 4.340 -0.002 0.000 0.211 400 L C 2.610 179.628 176.870 0.247 0.000 1.089 400 L CA 2.444 57.452 54.840 0.280 0.000 0.757 400 L CB -1.044 41.170 42.059 0.257 0.000 0.899 400 L HN 0.009 nan 8.230 nan 0.000 0.434 401 S N -1.607 114.248 115.700 0.258 0.000 2.442 401 S HA -0.145 4.324 4.470 -0.002 0.000 0.236 401 S C 1.675 176.400 174.600 0.209 0.000 1.007 401 S CA 0.954 59.292 58.200 0.230 0.000 0.965 401 S CB -0.604 62.794 63.200 0.332 0.000 0.773 401 S HN 0.563 nan 8.310 nan 0.000 0.504 402 E N 1.282 121.645 120.200 0.271 0.000 2.418 402 E HA -0.008 4.341 4.350 -0.002 0.000 0.197 402 E C 2.021 178.859 176.600 0.397 0.000 1.026 402 E CA 1.130 57.728 56.400 0.330 0.000 0.862 402 E CB -0.082 29.864 29.700 0.411 0.000 0.799 402 E HN 0.770 nan 8.360 nan 0.000 0.518 403 V N -3.195 116.896 119.914 0.294 0.000 3.578 403 V HA 0.124 4.243 4.120 -0.002 0.000 0.290 403 V C 1.692 177.846 176.094 0.099 0.000 1.376 403 V CA 0.057 62.506 62.300 0.248 0.000 1.083 403 V CB 0.142 32.045 31.823 0.134 0.000 0.911 403 V HN -0.031 nan 8.190 nan 0.000 0.433 404 M N 0.532 120.152 119.600 0.033 0.000 2.447 404 M HA 0.129 4.608 4.480 -0.002 0.000 0.264 404 M C 2.172 178.406 176.300 -0.111 0.000 1.095 404 M CA 1.075 56.303 55.300 -0.120 0.000 1.125 404 M CB -0.873 31.518 32.600 -0.349 0.000 1.389 404 M HN 0.482 nan 8.290 nan 0.000 0.459 405 S N 0.985 116.665 115.700 -0.033 0.000 2.387 405 S HA -0.076 4.393 4.470 -0.002 0.000 0.226 405 S C 1.765 176.323 174.600 -0.070 0.000 1.026 405 S CA 0.944 59.119 58.200 -0.041 0.000 0.972 405 S CB -0.143 63.065 63.200 0.014 0.000 0.814 405 S HN 0.544 nan 8.310 nan 0.000 0.477 406 R N 1.469 121.926 120.500 -0.071 0.000 2.299 406 R HA 0.112 4.451 4.340 -0.002 0.000 0.197 406 R C 0.654 176.892 176.300 -0.103 0.000 0.971 406 R CA 0.216 56.248 56.100 -0.113 0.000 1.030 406 R CB -0.649 29.541 30.300 -0.184 0.000 0.932 406 R HN 0.386 nan 8.270 nan 0.000 0.477 407 V N -1.237 118.625 119.914 -0.087 0.000 3.096 407 V HA 0.447 4.566 4.120 -0.002 0.000 0.319 407 V C -0.406 175.642 176.094 -0.077 0.000 1.082 407 V CA -1.263 60.990 62.300 -0.078 0.000 1.022 407 V CB 1.709 33.494 31.823 -0.063 0.000 1.103 407 V HN 0.040 nan 8.190 nan 0.000 0.455 408 K N 2.246 122.609 120.400 -0.062 0.000 2.606 408 K HA 0.420 4.739 4.320 -0.002 0.000 0.196 408 K C -2.812 173.768 176.600 -0.033 0.000 1.048 408 K CA -1.441 54.815 56.287 -0.052 0.000 1.017 408 K CB 1.148 33.618 32.500 -0.050 0.000 1.413 408 K HN 0.574 nan 8.250 nan 0.000 0.568 409 P HA 0.002 nan 4.420 nan 0.000 0.274 409 P C 0.719 178.028 177.300 0.015 0.000 1.231 409 P CA 0.004 63.108 63.100 0.007 0.000 0.790 409 P CB 1.224 32.945 31.700 0.035 0.000 0.951 410 G N 1.513 110.323 108.800 0.018 0.000 2.422 410 G HA2 0.148 4.107 3.960 -0.002 0.000 0.218 410 G HA3 0.148 4.107 3.960 -0.002 0.000 0.218 410 G C 0.655 175.568 174.900 0.022 0.000 1.140 410 G CA 0.676 45.783 45.100 0.012 0.000 0.775 410 G HN 0.821 nan 8.290 nan 0.000 0.545 411 G N -1.570 107.258 108.800 0.047 0.000 2.733 411 G HA2 0.485 4.445 3.960 -0.002 0.000 0.297 411 G HA3 0.485 4.445 3.960 -0.002 0.000 0.297 411 G C -2.133 172.858 174.900 0.152 0.000 1.422 411 G CA -0.723 44.415 45.100 0.063 0.000 0.942 411 G HN 0.208 nan 8.290 nan 0.000 0.510 412 F N 2.160 122.089 119.950 -0.035 0.000 2.671 412 F HA 0.635 5.161 4.527 -0.001 0.000 0.332 412 F C -1.334 174.429 175.800 -0.061 0.000 1.189 412 F CA -1.140 56.836 58.000 -0.041 0.000 0.988 412 F CB 1.459 40.453 39.000 -0.011 0.000 1.258 412 F HN 0.324 nan 8.300 nan 0.000 0.471 413 L N 7.344 128.187 121.223 -0.634 0.000 2.345 413 L HA 0.505 4.844 4.340 -0.002 0.000 0.274 413 L C -0.511 175.900 176.870 -0.765 0.000 0.999 413 L CA -0.578 53.933 54.840 -0.548 0.000 0.849 413 L CB 1.244 43.111 42.059 -0.319 0.000 1.220 413 L HN 0.679 nan 8.230 nan 0.000 0.422 414 C N 1.186 120.026 119.300 -0.766 0.000 2.871 414 C HA 0.506 4.965 4.460 -0.002 0.000 0.351 414 C C 0.470 175.115 174.990 -0.575 0.000 1.338 414 C CA -0.490 58.026 59.018 -0.836 0.000 1.686 414 C CB 1.512 28.612 27.740 -1.067 0.000 2.135 414 C HN 0.785 nan 8.230 nan 0.000 0.476 415 H N 0.111 118.841 119.070 -0.567 0.000 2.972 415 H HA 0.371 4.927 4.556 -0.002 0.000 0.343 415 H C 0.837 176.069 175.328 -0.159 0.000 1.054 415 H CA 1.299 57.133 56.048 -0.358 0.000 1.412 415 H CB 0.603 30.123 29.762 -0.403 0.000 1.385 415 H HN 0.832 nan 8.280 nan 0.000 0.600 416 G N 0.877 109.704 108.800 0.046 0.000 2.849 416 G HA2 -0.022 3.937 3.960 -0.002 0.000 0.174 416 G HA3 -0.022 3.937 3.960 -0.002 0.000 0.174 416 G C -0.051 174.934 174.900 0.142 0.000 1.370 416 G CA -0.414 44.698 45.100 0.021 0.000 1.040 416 G HN 0.583 nan 8.290 nan 0.000 0.582 417 Y N -0.269 120.048 120.300 0.029 0.000 2.274 417 Y HA 0.011 4.560 4.550 -0.002 0.000 0.290 417 Y C 2.694 178.603 175.900 0.016 0.000 1.145 417 Y CA 0.125 58.240 58.100 0.025 0.000 1.203 417 Y CB -0.681 37.788 38.460 0.015 0.000 0.984 417 Y HN 0.109 nan 8.280 nan 0.000 0.533 418 L N -0.360 120.962 121.223 0.165 0.000 2.083 418 L HA -0.103 4.236 4.340 -0.002 0.000 0.209 418 L C 1.374 178.240 176.870 -0.008 0.000 1.083 418 L CA 1.815 56.703 54.840 0.079 0.000 0.752 418 L CB -1.024 41.075 42.059 0.067 0.000 0.899 418 L HN 0.513 nan 8.230 nan 0.000 0.433 419 G N 0.667 109.429 108.800 -0.063 0.000 2.338 419 G HA2 -0.251 3.708 3.960 -0.002 0.000 0.296 419 G HA3 -0.251 3.708 3.960 -0.002 0.000 0.296 419 G C 0.041 174.703 174.900 -0.397 0.000 1.040 419 G CA 0.614 45.553 45.100 -0.270 0.000 1.004 419 G HN 0.403 nan 8.290 nan 0.000 0.509 420 S N 1.154 116.642 115.700 -0.353 0.000 2.438 420 S HA 0.588 5.057 4.470 -0.002 0.000 0.316 420 S C 0.815 175.269 174.600 -0.244 0.000 1.084 420 S CA -0.799 57.240 58.200 -0.267 0.000 1.107 420 S CB 0.615 63.720 63.200 -0.158 0.000 0.981 420 S HN 0.362 nan 8.310 nan 0.000 0.466 421 M N 2.949 122.407 119.600 -0.237 0.000 2.284 421 M HA 0.181 4.660 4.480 -0.002 0.000 0.351 421 M C 1.516 177.542 176.300 -0.456 0.000 1.443 421 M CA 0.853 56.081 55.300 -0.119 0.000 1.031 421 M CB -0.887 31.761 32.600 0.080 0.000 1.893 421 M HN 1.045 nan 8.290 nan 0.000 0.456 422 G N 1.967 110.637 108.800 -0.216 0.000 2.307 422 G HA2 -0.247 3.712 3.960 -0.002 0.000 0.210 422 G HA3 -0.247 3.712 3.960 -0.002 0.000 0.210 422 G C 0.552 175.331 174.900 -0.202 0.000 1.005 422 G CA 0.354 45.298 45.100 -0.261 0.000 0.634 422 G HN 0.781 nan 8.290 nan 0.000 0.496 423 V N 0.660 120.384 119.914 -0.317 0.000 2.867 423 V HA 0.251 4.370 4.120 -0.002 0.000 0.260 423 V C 2.470 178.321 176.094 -0.404 0.000 1.099 423 V CA 2.370 64.301 62.300 -0.614 0.000 1.122 423 V CB -1.034 30.306 31.823 -0.806 0.000 0.708 423 V HN 1.100 nan 8.190 nan 0.000 0.490 424 G N -0.571 108.081 108.800 -0.245 0.000 2.418 424 G HA2 -0.253 3.706 3.960 -0.002 0.000 0.217 424 G HA3 -0.253 3.706 3.960 -0.002 0.000 0.217 424 G C 1.315 176.152 174.900 -0.105 0.000 1.158 424 G CA 1.088 46.057 45.100 -0.219 0.000 0.771 424 G HN 0.505 nan 8.290 nan 0.000 0.545 425 F N 2.331 122.178 119.950 -0.171 0.000 2.046 425 F HA -0.009 4.517 4.527 -0.001 0.000 0.297 425 F C 2.732 178.450 175.800 -0.136 0.000 1.123 425 F CA 1.421 59.328 58.000 -0.156 0.000 1.199 425 F CB -0.795 38.111 39.000 -0.156 0.000 0.972 425 F HN 0.136 nan 8.300 nan 0.000 0.474 426 G N -1.393 107.509 108.800 0.171 0.000 2.418 426 G HA2 -0.249 3.710 3.960 -0.002 0.000 0.217 426 G HA3 -0.249 3.710 3.960 -0.002 0.000 0.217 426 G C 1.670 176.578 174.900 0.014 0.000 1.158 426 G CA 1.433 46.585 45.100 0.086 0.000 0.771 426 G HN 0.385 nan 8.290 nan 0.000 0.545 427 T N 1.770 116.305 114.554 -0.031 0.000 2.665 427 T HA -0.086 4.263 4.350 -0.002 0.000 0.268 427 T C 2.795 177.437 174.700 -0.097 0.000 1.035 427 T CA 1.738 63.782 62.100 -0.094 0.000 1.151 427 T CB -0.428 68.343 68.868 -0.162 0.000 0.862 427 T HN 0.391 nan 8.240 nan 0.000 0.438 428 A N 0.877 123.646 122.820 -0.085 0.000 1.933 428 A HA 0.041 4.360 4.320 -0.002 0.000 0.218 428 A C 2.300 179.866 177.584 -0.029 0.000 1.175 428 A CA 1.208 53.196 52.037 -0.082 0.000 0.628 428 A CB -0.843 18.079 19.000 -0.129 0.000 0.814 428 A HN 0.485 nan 8.150 nan 0.000 0.444 429 L N -0.523 120.711 121.223 0.019 0.000 2.017 429 L HA -0.097 4.242 4.340 -0.002 0.000 0.208 429 L C 2.536 179.429 176.870 0.038 0.000 1.073 429 L CA 1.724 56.599 54.840 0.060 0.000 0.745 429 L CB -0.573 41.545 42.059 0.098 0.000 0.894 429 L HN 0.396 nan 8.230 nan 0.000 0.432 430 G N -1.148 107.603 108.800 -0.081 0.000 2.418 430 G HA2 -0.278 3.681 3.960 -0.002 0.000 0.217 430 G HA3 -0.278 3.681 3.960 -0.002 0.000 0.217 430 G C 1.629 176.539 174.900 0.017 0.000 1.158 430 G CA 0.693 45.682 45.100 -0.186 0.000 0.771 430 G HN 0.577 nan 8.290 nan 0.000 0.545 431 A N 0.306 123.110 122.820 -0.026 0.000 1.908 431 A HA -0.145 4.174 4.320 -0.002 0.000 0.218 431 A C 2.314 179.903 177.584 0.008 0.000 1.181 431 A CA 2.334 54.358 52.037 -0.022 0.000 0.627 431 A CB -0.482 18.483 19.000 -0.058 0.000 0.818 431 A HN 0.424 nan 8.150 nan 0.000 0.445 432 Q N -0.112 119.703 119.800 0.025 0.000 2.124 432 Q HA -0.101 4.238 4.340 -0.002 0.000 0.202 432 Q C 1.829 177.866 176.000 0.061 0.000 0.977 432 Q CA 2.008 57.834 55.803 0.038 0.000 0.850 432 Q CB -0.602 28.162 28.738 0.044 0.000 0.901 432 Q HN 0.354 nan 8.270 nan 0.000 0.429 433 V N 0.602 120.582 119.914 0.111 0.000 2.332 433 V HA -0.300 3.819 4.120 -0.002 0.000 0.248 433 V C 2.261 178.399 176.094 0.073 0.000 1.055 433 V CA 1.901 64.266 62.300 0.107 0.000 1.038 433 V CB -1.272 30.671 31.823 0.200 0.000 0.651 433 V HN 0.532 nan 8.190 nan 0.000 0.450 434 A N -0.384 122.491 122.820 0.092 0.000 1.898 434 A HA -0.217 4.102 4.320 -0.002 0.000 0.216 434 A C 1.990 179.543 177.584 -0.052 0.000 1.181 434 A CA 1.784 53.775 52.037 -0.077 0.000 0.620 434 A CB -0.580 18.241 19.000 -0.297 0.000 0.819 434 A HN 0.523 nan 8.150 nan 0.000 0.442 435 D N -0.316 120.070 120.400 -0.024 0.000 2.218 435 D HA -0.100 4.539 4.640 -0.002 0.000 0.204 435 D C 1.701 178.004 176.300 0.005 0.000 0.976 435 D CA 0.645 54.636 54.000 -0.014 0.000 0.853 435 D CB -0.193 40.603 40.800 -0.008 0.000 0.939 435 D HN 0.242 nan 8.370 nan 0.000 0.481 436 L N 1.456 122.691 121.223 0.020 0.000 2.017 436 L HA -0.173 4.166 4.340 -0.002 0.000 0.208 436 L C 2.247 179.138 176.870 0.035 0.000 1.073 436 L CA 1.630 56.489 54.840 0.032 0.000 0.745 436 L CB -0.885 41.202 42.059 0.045 0.000 0.894 436 L HN 0.198 nan 8.230 nan 0.000 0.432 437 E N -1.181 119.043 120.200 0.040 0.000 2.268 437 E HA -0.114 4.235 4.350 -0.002 0.000 0.195 437 E C 1.705 178.319 176.600 0.023 0.000 0.995 437 E CA 1.034 57.461 56.400 0.045 0.000 0.836 437 E CB -0.292 29.451 29.700 0.072 0.000 0.763 437 E HN 0.434 nan 8.360 nan 0.000 0.491 438 A N 1.186 124.011 122.820 0.008 0.000 2.308 438 A HA 0.402 4.721 4.320 -0.002 0.000 0.217 438 A C 1.712 179.298 177.584 0.004 0.000 1.216 438 A CA 0.396 52.432 52.037 -0.001 0.000 0.864 438 A CB -0.171 18.819 19.000 -0.017 0.000 0.902 438 A HN 0.361 nan 8.150 nan 0.000 0.499 439 G N -0.001 108.805 108.800 0.010 0.000 2.221 439 G HA2 -0.250 3.709 3.960 -0.002 0.000 0.265 439 G HA3 -0.250 3.709 3.960 -0.002 0.000 0.265 439 G C 0.090 174.996 174.900 0.009 0.000 1.041 439 G CA 0.415 45.522 45.100 0.012 0.000 0.807 439 G HN 0.653 nan 8.290 nan 0.000 0.502 440 R N -0.993 119.511 120.500 0.006 0.000 2.787 440 R HA 0.678 5.017 4.340 -0.002 0.000 0.271 440 R C -0.058 176.246 176.300 0.007 0.000 0.993 440 R CA -1.137 54.966 56.100 0.004 0.000 0.993 440 R CB 1.124 31.423 30.300 -0.002 0.000 1.155 440 R HN 0.033 nan 8.270 nan 0.000 0.486 441 R N 0.782 121.286 120.500 0.006 0.000 2.428 441 R HA 0.325 4.664 4.340 -0.002 0.000 0.294 441 R C -0.618 175.681 176.300 -0.001 0.000 1.000 441 R CA -0.310 55.793 56.100 0.004 0.000 0.960 441 R CB 1.706 32.006 30.300 -0.001 0.000 1.076 441 R HN 0.599 nan 8.270 nan 0.000 0.475 442 T N 3.897 118.449 114.554 -0.003 0.000 2.795 442 T HA 0.573 4.922 4.350 -0.002 0.000 0.282 442 T C 0.474 175.160 174.700 -0.024 0.000 0.980 442 T CA -0.422 61.669 62.100 -0.015 0.000 1.012 442 T CB 1.022 69.879 68.868 -0.018 0.000 0.936 442 T HN 0.341 nan 8.240 nan 0.000 0.457 443 I N 3.472 124.023 120.570 -0.031 0.000 2.447 443 I HA 0.370 4.539 4.170 -0.002 0.000 0.287 443 I C -0.909 175.171 176.117 -0.061 0.000 1.023 443 I CA -1.075 60.203 61.300 -0.037 0.000 1.083 443 I CB 1.856 39.844 38.000 -0.020 0.000 1.245 443 I HN 0.364 nan 8.210 nan 0.000 0.434 444 L N 8.598 129.763 121.223 -0.098 0.000 2.289 444 L HA 0.585 4.924 4.340 -0.002 0.000 0.285 444 L C -0.790 176.019 176.870 -0.102 0.000 1.049 444 L CA -0.198 54.556 54.840 -0.142 0.000 0.804 444 L CB 1.520 43.428 42.059 -0.252 0.000 1.195 444 L HN 0.334 nan 8.230 nan 0.000 0.428 445 V N 4.875 124.741 119.914 -0.079 0.000 2.350 445 V HA 0.611 4.730 4.120 -0.002 0.000 0.285 445 V C 0.159 176.223 176.094 -0.051 0.000 1.014 445 V CA -0.302 61.979 62.300 -0.032 0.000 0.831 445 V CB 0.965 32.809 31.823 0.035 0.000 1.000 445 V HN 0.927 nan 8.190 nan 0.000 0.433 446 T N 3.164 117.684 114.554 -0.057 0.000 2.887 446 T HA 0.765 5.114 4.350 -0.002 0.000 0.292 446 T C 0.182 174.864 174.700 -0.030 0.000 1.087 446 T CA 0.133 62.203 62.100 -0.048 0.000 1.009 446 T CB 1.948 70.762 68.868 -0.091 0.000 1.203 446 T HN 0.865 nan 8.240 nan 0.000 0.518 447 G N 0.408 109.207 108.800 -0.002 0.000 2.477 447 G HA2 0.361 4.321 3.960 -0.002 0.000 0.304 447 G HA3 0.361 4.321 3.960 -0.002 0.000 0.304 447 G C 0.825 175.650 174.900 -0.124 0.000 1.175 447 G CA -0.149 44.936 45.100 -0.025 0.000 0.907 447 G HN 0.818 nan 8.290 nan 0.000 0.509 448 D N -0.119 120.170 120.400 -0.186 0.000 2.219 448 D HA -0.080 4.559 4.640 -0.002 0.000 0.205 448 D C 2.028 178.086 176.300 -0.403 0.000 0.970 448 D CA 1.193 54.970 54.000 -0.371 0.000 0.851 448 D CB -0.562 40.106 40.800 -0.221 0.000 0.943 448 D HN 0.456 nan 8.370 nan 0.000 0.488 449 G N 0.690 109.258 108.800 -0.387 0.000 2.404 449 G HA2 -0.213 3.746 3.960 -0.002 0.000 0.214 449 G HA3 -0.213 3.746 3.960 -0.002 0.000 0.214 449 G C 1.861 176.669 174.900 -0.153 0.000 1.189 449 G CA 0.977 45.638 45.100 -0.731 0.000 0.789 449 G HN 0.331 nan 8.290 nan 0.000 0.533 450 S N -0.186 115.598 115.700 0.140 0.000 2.383 450 S HA -0.123 4.346 4.470 -0.002 0.000 0.229 450 S C 2.301 177.067 174.600 0.276 0.000 1.030 450 S CA 1.037 59.439 58.200 0.338 0.000 1.002 450 S CB -0.315 63.018 63.200 0.223 0.000 0.829 450 S HN 0.160 nan 8.310 nan 0.000 0.467 451 V N 2.010 121.975 119.914 0.085 0.000 2.594 451 V HA -0.088 4.031 4.120 -0.002 0.000 0.253 451 V C 2.189 178.399 176.094 0.193 0.000 1.069 451 V CA 1.825 64.196 62.300 0.118 0.000 1.082 451 V CB -1.017 30.791 31.823 -0.025 0.000 0.680 451 V HN 0.559 nan 8.190 nan 0.000 0.469 452 G N -1.782 107.092 108.800 0.124 0.000 2.448 452 G HA2 -0.271 3.688 3.960 -0.002 0.000 0.219 452 G HA3 -0.271 3.688 3.960 -0.002 0.000 0.219 452 G C 1.310 176.275 174.900 0.108 0.000 1.127 452 G CA 0.913 46.089 45.100 0.127 0.000 0.766 452 G HN 0.585 nan 8.290 nan 0.000 0.552 453 Y N 1.057 121.432 120.300 0.124 0.000 2.256 453 Y HA -0.050 4.499 4.550 -0.002 0.000 0.288 453 Y C 2.103 178.001 175.900 -0.003 0.000 1.155 453 Y CA 1.627 59.775 58.100 0.080 0.000 1.203 453 Y CB 0.391 38.897 38.460 0.076 0.000 0.980 453 Y HN 0.156 nan 8.280 nan 0.000 0.530 454 S N -1.250 114.518 115.700 0.114 0.000 3.025 454 S HA 0.149 4.618 4.470 -0.002 0.000 0.251 454 S C 1.116 175.505 174.600 -0.352 0.000 0.954 454 S CA -0.352 57.770 58.200 -0.130 0.000 1.092 454 S CB -0.116 62.960 63.200 -0.207 0.000 1.079 454 S HN 0.331 nan 8.310 nan 0.000 0.543 455 I N 2.085 122.614 120.570 -0.069 0.000 2.423 455 I HA -0.128 4.041 4.170 -0.002 0.000 0.254 455 I C 2.196 178.267 176.117 -0.076 0.000 1.151 455 I CA 1.244 62.575 61.300 0.052 0.000 1.421 455 I CB -0.090 38.107 38.000 0.330 0.000 1.079 455 I HN 0.502 nan 8.210 nan 0.000 0.431 456 G N 0.008 108.710 108.800 -0.164 0.000 2.501 456 G HA2 -0.221 3.738 3.960 -0.002 0.000 0.220 456 G HA3 -0.221 3.738 3.960 -0.002 0.000 0.220 456 G C 1.358 175.894 174.900 -0.605 0.000 1.114 456 G CA 0.372 45.252 45.100 -0.367 0.000 0.757 456 G HN 0.367 nan 8.290 nan 0.000 0.559 457 E N 0.236 120.006 120.200 -0.716 0.000 2.409 457 E HA -0.015 4.334 4.350 -0.002 0.000 0.198 457 E C 1.833 178.143 176.600 -0.485 0.000 1.024 457 E CA 0.015 55.992 56.400 -0.705 0.000 0.861 457 E CB -0.346 28.758 29.700 -0.992 0.000 0.788 457 E HN 0.624 nan 8.360 nan 0.000 0.521 458 F N 1.322 121.079 119.950 -0.322 0.000 2.161 458 F HA -0.241 4.285 4.527 -0.002 0.000 0.300 458 F C 2.257 177.955 175.800 -0.170 0.000 1.089 458 F CA 1.350 59.313 58.000 -0.061 0.000 1.282 458 F CB -0.110 38.955 39.000 0.109 0.000 1.010 458 F HN 0.069 nan 8.300 nan 0.000 0.485 459 D N -0.352 119.830 120.400 -0.363 0.000 2.104 459 D HA -0.170 4.469 4.640 -0.002 0.000 0.194 459 D C 2.035 178.308 176.300 -0.046 0.000 0.994 459 D CA 2.052 55.930 54.000 -0.204 0.000 0.830 459 D CB -0.173 40.403 40.800 -0.373 0.000 0.959 459 D HN 0.098 nan 8.370 nan 0.000 0.452 460 T N 0.188 114.690 114.554 -0.087 0.000 2.746 460 T HA -0.127 4.222 4.350 -0.002 0.000 0.267 460 T C 1.773 176.501 174.700 0.046 0.000 1.039 460 T CA 0.670 62.761 62.100 -0.015 0.000 1.142 460 T CB -0.299 68.548 68.868 -0.035 0.000 0.866 460 T HN 0.059 nan 8.240 nan 0.000 0.444 461 L N 0.936 122.204 121.223 0.075 0.000 2.043 461 L HA -0.098 4.241 4.340 -0.002 0.000 0.212 461 L C 2.582 179.531 176.870 0.132 0.000 1.075 461 L CA 1.375 56.295 54.840 0.135 0.000 0.752 461 L CB -1.152 41.038 42.059 0.219 0.000 0.891 461 L HN 0.162 nan 8.230 nan 0.000 0.432 462 V N -1.137 118.859 119.914 0.137 0.000 2.346 462 V HA -0.191 3.928 4.120 -0.002 0.000 0.244 462 V C 2.594 178.744 176.094 0.093 0.000 1.037 462 V CA 1.261 63.636 62.300 0.126 0.000 1.029 462 V CB -0.479 31.433 31.823 0.148 0.000 0.663 462 V HN 0.376 nan 8.190 nan 0.000 0.454 463 R N 0.357 120.906 120.500 0.081 0.000 2.103 463 R HA -0.144 4.195 4.340 -0.002 0.000 0.242 463 R C 2.101 178.437 176.300 0.060 0.000 1.142 463 R CA 1.222 57.361 56.100 0.065 0.000 0.960 463 R CB -0.221 30.112 30.300 0.055 0.000 0.858 463 R HN 0.355 nan 8.270 nan 0.000 0.439 464 K N 0.419 120.858 120.400 0.065 0.000 2.393 464 K HA 0.043 4.362 4.320 -0.002 0.000 0.193 464 K C 0.105 176.745 176.600 0.067 0.000 1.026 464 K CA 0.218 56.543 56.287 0.062 0.000 1.064 464 K CB 0.361 32.900 32.500 0.064 0.000 0.833 464 K HN 0.238 nan 8.250 nan 0.000 0.521 465 Q N 0.625 120.470 119.800 0.075 0.000 2.460 465 Q HA -0.163 4.176 4.340 -0.002 0.000 0.311 465 Q C -1.022 175.026 176.000 0.080 0.000 1.396 465 Q CA 0.247 56.096 55.803 0.076 0.000 0.838 465 Q CB -1.914 26.861 28.738 0.063 0.000 1.140 465 Q HN 0.242 nan 8.270 nan 0.000 0.415 466 L N 1.669 122.947 121.223 0.093 0.000 2.276 466 L HA 0.335 4.674 4.340 -0.002 0.000 0.286 466 L C -1.425 175.506 176.870 0.100 0.000 1.024 466 L CA -1.913 52.982 54.840 0.092 0.000 0.826 466 L CB 0.803 42.921 42.059 0.098 0.000 1.211 466 L HN -0.017 nan 8.230 nan 0.000 0.422 467 P HA 0.012 nan 4.420 nan 0.000 0.254 467 P C -0.110 177.239 177.300 0.082 0.000 1.631 467 P CA -0.306 62.849 63.100 0.091 0.000 0.861 467 P CB 0.029 31.775 31.700 0.077 0.000 1.663 468 L N 0.663 121.936 121.223 0.084 0.000 2.453 468 L HA 0.160 4.499 4.340 -0.002 0.000 0.272 468 L C -0.021 176.890 176.870 0.068 0.000 1.182 468 L CA 0.073 54.945 54.840 0.053 0.000 0.858 468 L CB -0.028 42.053 42.059 0.036 0.000 1.120 468 L HN -0.050 nan 8.230 nan 0.000 0.474 469 I N 5.751 126.338 120.570 0.029 0.000 2.321 469 I HA 0.265 4.434 4.170 -0.002 0.000 0.291 469 I C -0.650 175.466 176.117 -0.002 0.000 0.998 469 I CA -0.618 60.705 61.300 0.039 0.000 1.227 469 I CB 1.424 39.428 38.000 0.005 0.000 1.368 469 I HN 0.277 nan 8.210 nan 0.000 0.466 470 V N 8.051 127.991 119.914 0.042 0.000 2.347 470 V HA 0.402 4.521 4.120 -0.002 0.000 0.280 470 V C 0.139 176.257 176.094 0.038 0.000 1.021 470 V CA -0.381 61.896 62.300 -0.038 0.000 0.847 470 V CB 1.289 33.039 31.823 -0.121 0.000 0.990 470 V HN 0.472 nan 8.190 nan 0.000 0.444 471 I N 6.239 126.807 120.570 -0.004 0.000 2.354 471 I HA 0.480 4.649 4.170 -0.002 0.000 0.292 471 I C -0.421 175.676 176.117 -0.033 0.000 0.989 471 I CA -0.349 60.961 61.300 0.016 0.000 1.188 471 I CB 1.661 39.700 38.000 0.064 0.000 1.342 471 I HN 0.424 nan 8.210 nan 0.000 0.457 472 I N 6.632 127.177 120.570 -0.042 0.000 2.330 472 I HA 0.281 4.450 4.170 -0.002 0.000 0.289 472 I C -0.168 175.886 176.117 -0.105 0.000 1.001 472 I CA -0.549 60.707 61.300 -0.074 0.000 1.193 472 I CB 1.156 39.114 38.000 -0.071 0.000 1.345 472 I HN 0.385 nan 8.210 nan 0.000 0.461 473 M N 5.653 125.195 119.600 -0.096 0.000 2.193 473 M HA 0.154 4.633 4.480 -0.002 0.000 0.342 473 M C -0.159 176.097 176.300 -0.073 0.000 1.413 473 M CA 0.095 55.336 55.300 -0.100 0.000 1.191 473 M CB -0.285 32.281 32.600 -0.058 0.000 1.633 473 M HN 0.406 nan 8.290 nan 0.000 0.458 474 N N 3.948 122.611 118.700 -0.061 0.000 2.589 474 N HA 0.143 4.882 4.740 -0.002 0.000 0.232 474 N C -0.168 175.344 175.510 0.004 0.000 1.015 474 N CA -0.162 52.885 53.050 -0.005 0.000 0.931 474 N CB 0.383 38.920 38.487 0.084 0.000 1.150 474 N HN 0.440 nan 8.380 nan 0.000 0.512 475 N N 2.320 121.018 118.700 -0.004 0.000 2.273 475 N HA 0.026 4.765 4.740 -0.002 0.000 0.231 475 N C -0.450 175.073 175.510 0.021 0.000 1.134 475 N CA -0.139 52.915 53.050 0.007 0.000 0.856 475 N CB 0.156 38.645 38.487 0.004 0.000 1.068 475 N HN 0.306 nan 8.380 nan 0.000 0.510 476 Q N -0.750 119.066 119.800 0.027 0.000 2.481 476 Q HA -0.199 4.140 4.340 -0.002 0.000 0.272 476 Q C -0.882 175.117 176.000 -0.001 0.000 1.157 476 Q CA 1.340 57.158 55.803 0.025 0.000 0.935 476 Q CB -2.808 25.952 28.738 0.036 0.000 1.338 476 Q HN 0.857 nan 8.270 nan 0.000 0.494 477 S N -3.127 112.549 115.700 -0.040 0.000 2.611 477 S HA 0.491 4.960 4.470 -0.002 0.000 0.270 477 S C -1.169 173.397 174.600 -0.056 0.000 1.131 477 S CA -1.149 57.031 58.200 -0.034 0.000 0.826 477 S CB 0.418 63.660 63.200 0.068 0.000 1.095 477 S HN 0.278 nan 8.310 nan 0.000 0.461 478 W N 2.043 123.379 121.300 0.061 0.000 2.598 478 W HA 0.485 5.144 4.660 -0.002 0.000 0.396 478 W C 1.482 178.019 176.519 0.030 0.000 1.142 478 W CA 0.090 57.467 57.345 0.052 0.000 1.568 478 W CB 0.001 29.496 29.460 0.058 0.000 1.637 478 W HN 1.060 nan 8.180 nan 0.000 0.417 479 G N 1.839 110.741 108.800 0.169 0.000 2.434 479 G HA2 -0.228 3.731 3.960 -0.002 0.000 0.214 479 G HA3 -0.228 3.731 3.960 -0.002 0.000 0.214 479 G C 1.694 176.550 174.900 -0.073 0.000 1.202 479 G CA 1.038 46.150 45.100 0.020 0.000 0.788 479 G HN 0.547 nan 8.290 nan 0.000 0.539 480 A N 0.727 123.521 122.820 -0.044 0.000 1.940 480 A HA -0.088 4.231 4.320 -0.002 0.000 0.219 480 A C 2.624 180.271 177.584 0.104 0.000 1.176 480 A CA 2.970 54.987 52.037 -0.033 0.000 0.631 480 A CB -1.143 17.855 19.000 -0.003 0.000 0.814 480 A HN 0.543 nan 8.150 nan 0.000 0.446 481 T N -1.701 112.925 114.554 0.120 0.000 2.904 481 T HA -0.039 4.310 4.350 -0.002 0.000 0.267 481 T C 1.855 176.688 174.700 0.222 0.000 1.059 481 T CA 1.189 63.370 62.100 0.136 0.000 1.137 481 T CB -0.473 68.427 68.868 0.054 0.000 0.879 481 T HN 0.293 nan 8.240 nan 0.000 0.467 482 L N 0.221 121.576 121.223 0.219 0.000 2.046 482 L HA -0.104 4.235 4.340 -0.002 0.000 0.208 482 L C 2.829 179.876 176.870 0.294 0.000 1.077 482 L CA 1.604 56.587 54.840 0.238 0.000 0.747 482 L CB -0.427 41.765 42.059 0.222 0.000 0.896 482 L HN 0.383 nan 8.230 nan 0.000 0.432 483 H N -1.645 117.509 119.070 0.140 0.000 2.319 483 H HA -0.265 4.290 4.556 -0.002 0.000 0.299 483 H C 2.084 177.482 175.328 0.117 0.000 1.092 483 H CA 1.743 57.857 56.048 0.109 0.000 1.302 483 H CB -0.136 29.684 29.762 0.096 0.000 1.373 483 H HN 0.425 nan 8.280 nan 0.000 0.497 484 F N 2.177 122.220 119.950 0.156 0.000 2.091 484 F HA -0.284 4.242 4.527 -0.001 0.000 0.299 484 F C 2.521 178.356 175.800 0.058 0.000 1.103 484 F CA 1.657 59.706 58.000 0.081 0.000 1.228 484 F CB -0.185 38.850 39.000 0.059 0.000 0.984 484 F HN 0.136 nan 8.300 nan 0.000 0.477 485 Q N -0.257 119.685 119.800 0.237 0.000 2.050 485 Q HA -0.263 4.076 4.340 -0.002 0.000 0.202 485 Q C 2.227 178.221 176.000 -0.011 0.000 0.980 485 Q CA 2.042 57.912 55.803 0.112 0.000 0.840 485 Q CB -0.439 28.398 28.738 0.165 0.000 0.898 485 Q HN 0.616 nan 8.270 nan 0.000 0.424 486 Q N -0.043 119.766 119.800 0.014 0.000 2.046 486 Q HA -0.144 4.195 4.340 -0.002 0.000 0.200 486 Q C 2.009 177.959 176.000 -0.084 0.000 0.975 486 Q CA 0.905 56.693 55.803 -0.026 0.000 0.836 486 Q CB 0.016 28.744 28.738 -0.017 0.000 0.896 486 Q HN 0.222 nan 8.270 nan 0.000 0.428 487 L N -0.275 120.879 121.223 -0.114 0.000 2.109 487 L HA -0.029 4.311 4.340 -0.002 0.000 0.207 487 L C 1.987 178.727 176.870 -0.217 0.000 1.086 487 L CA 1.666 56.419 54.840 -0.146 0.000 0.760 487 L CB -0.883 41.103 42.059 -0.121 0.000 0.910 487 L HN 0.154 nan 8.230 nan 0.000 0.437 488 A N -2.433 120.159 122.820 -0.381 0.000 2.252 488 A HA 0.262 4.581 4.320 -0.002 0.000 0.213 488 A C 1.838 179.242 177.584 -0.301 0.000 1.188 488 A CA 0.746 52.504 52.037 -0.465 0.000 0.863 488 A CB 0.201 18.593 19.000 -1.013 0.000 0.893 488 A HN 0.161 nan 8.150 nan 0.000 0.495 489 V N -1.885 117.900 119.914 -0.215 0.000 3.029 489 V HA 0.541 4.660 4.120 -0.002 0.000 0.230 489 V C 0.963 177.018 176.094 -0.065 0.000 1.254 489 V CA 0.592 62.828 62.300 -0.106 0.000 1.276 489 V CB 0.120 31.912 31.823 -0.051 0.000 1.080 489 V HN 0.835 nan 8.190 nan 0.000 0.495 490 G N 0.355 109.120 108.800 -0.057 0.000 2.368 490 G HA2 0.294 4.253 3.960 -0.002 0.000 0.303 490 G HA3 0.294 4.253 3.960 -0.002 0.000 0.303 490 G C -2.729 172.159 174.900 -0.020 0.000 1.590 490 G CA 0.168 45.247 45.100 -0.035 0.000 0.938 490 G HN -0.065 nan 8.290 nan 0.000 0.675 491 P HA -0.086 nan 4.420 nan 0.000 0.220 491 P C 0.807 178.111 177.300 0.007 0.000 1.148 491 P CA 1.303 64.399 63.100 -0.008 0.000 0.803 491 P CB -0.077 31.616 31.700 -0.011 0.000 0.782 492 N N -0.903 117.802 118.700 0.008 0.000 2.380 492 N HA 0.132 4.871 4.740 -0.002 0.000 0.255 492 N C 0.483 176.006 175.510 0.022 0.000 1.158 492 N CA -0.597 52.463 53.050 0.016 0.000 0.878 492 N CB 0.166 38.660 38.487 0.012 0.000 1.138 492 N HN -0.150 nan 8.380 nan 0.000 0.509 493 R N 1.413 121.928 120.500 0.026 0.000 2.767 493 R HA 0.138 4.477 4.340 -0.002 0.000 0.377 493 R C -0.121 176.212 176.300 0.055 0.000 1.151 493 R CA -0.250 55.871 56.100 0.034 0.000 1.046 493 R CB 0.528 30.843 30.300 0.025 0.000 1.404 493 R HN 0.240 nan 8.270 nan 0.000 0.580 494 V N 0.284 120.234 119.914 0.060 0.000 2.383 494 V HA 0.635 4.754 4.120 -0.002 0.000 0.275 494 V C -0.611 175.529 176.094 0.078 0.000 1.036 494 V CA 0.124 62.473 62.300 0.081 0.000 0.889 494 V CB 1.322 33.199 31.823 0.091 0.000 0.985 494 V HN 0.377 nan 8.190 nan 0.000 0.459 495 T N 2.625 117.231 114.554 0.086 0.000 2.956 495 T HA 0.685 5.034 4.350 -0.002 0.000 0.312 495 T C 0.692 175.446 174.700 0.091 0.000 1.151 495 T CA -0.045 62.102 62.100 0.079 0.000 1.024 495 T CB 1.252 70.157 68.868 0.061 0.000 1.140 495 T HN 1.954 nan 8.240 nan 0.000 0.473 496 G N 1.383 110.243 108.800 0.100 0.000 2.166 496 G HA2 -0.325 3.634 3.960 -0.002 0.000 0.260 496 G HA3 -0.325 3.634 3.960 -0.002 0.000 0.260 496 G C 0.669 175.682 174.900 0.188 0.000 0.986 496 G CA 1.277 46.446 45.100 0.115 0.000 0.683 496 G HN 1.507 nan 8.290 nan 0.000 0.527 497 T N -3.168 111.518 114.554 0.219 0.000 2.985 497 T HA 0.406 4.755 4.350 -0.002 0.000 0.254 497 T C 1.029 175.921 174.700 0.320 0.000 1.021 497 T CA -0.000 62.299 62.100 0.332 0.000 0.957 497 T CB 0.559 69.571 68.868 0.240 0.000 1.047 497 T HN 0.465 nan 8.240 nan 0.000 0.511 498 R N 0.996 121.617 120.500 0.202 0.000 2.490 498 R HA 0.590 4.929 4.340 -0.002 0.000 0.278 498 R C -0.606 175.739 176.300 0.074 0.000 1.069 498 R CA -0.342 55.829 56.100 0.119 0.000 1.080 498 R CB 0.886 31.239 30.300 0.089 0.000 1.030 498 R HN 0.279 nan 8.270 nan 0.000 0.491 499 L N 2.831 124.055 121.223 0.001 0.000 2.551 499 L HA 0.238 4.577 4.340 -0.002 0.000 0.248 499 L C -0.369 176.493 176.870 -0.014 0.000 1.509 499 L CA 0.043 54.856 54.840 -0.046 0.000 0.842 499 L CB 1.035 42.977 42.059 -0.195 0.000 1.087 499 L HN 0.596 nan 8.230 nan 0.000 0.512 500 E N 1.715 121.917 120.200 0.003 0.000 2.325 500 E HA 0.178 4.527 4.350 -0.002 0.000 0.295 500 E C -0.456 176.133 176.600 -0.019 0.000 1.461 500 E CA -0.162 56.239 56.400 0.002 0.000 1.698 500 E CB 0.236 29.944 29.700 0.014 0.000 1.496 500 E HN 0.378 nan 8.360 nan 0.000 0.474 501 N N -0.071 118.602 118.700 -0.046 0.000 2.636 501 N HA 0.440 5.179 4.740 -0.002 0.000 0.261 501 N C -1.298 174.101 175.510 -0.184 0.000 1.195 501 N CA 0.173 53.170 53.050 -0.088 0.000 0.902 501 N CB 1.756 40.204 38.487 -0.066 0.000 1.627 501 N HN 0.185 nan 8.380 nan 0.000 0.491 502 G N 0.704 109.361 108.800 -0.238 0.000 3.067 502 G HA2 0.089 4.049 3.960 -0.002 0.000 0.686 502 G HA3 0.089 4.049 3.960 -0.002 0.000 0.686 502 G C -0.918 173.659 174.900 -0.538 0.000 1.119 502 G CA -0.323 44.537 45.100 -0.400 0.000 0.790 502 G HN 0.862 nan 8.290 nan 0.000 0.605 503 S N 1.824 117.253 115.700 -0.451 0.000 2.464 503 S HA 0.557 5.026 4.470 -0.002 0.000 0.313 503 S C 1.307 175.660 174.600 -0.412 0.000 1.078 503 S CA -0.431 57.506 58.200 -0.438 0.000 1.096 503 S CB 0.094 63.020 63.200 -0.456 0.000 1.032 503 S HN 0.584 nan 8.310 nan 0.000 0.498 504 Y N 3.645 123.926 120.300 -0.031 0.000 2.293 504 Y HA -0.111 4.438 4.550 -0.002 0.000 0.291 504 Y C 2.605 178.523 175.900 0.029 0.000 1.137 504 Y CA 1.728 59.861 58.100 0.054 0.000 1.202 504 Y CB -0.521 38.027 38.460 0.147 0.000 0.990 504 Y HN 0.853 nan 8.280 nan 0.000 0.537 505 H N -2.375 116.776 119.070 0.135 0.000 2.395 505 H HA 0.071 4.626 4.556 -0.002 0.000 0.299 505 H C 2.382 177.689 175.328 -0.035 0.000 1.070 505 H CA 1.159 57.236 56.048 0.049 0.000 1.356 505 H CB -1.055 28.762 29.762 0.092 0.000 1.401 505 H HN 0.323 nan 8.280 nan 0.000 0.524 506 G N 1.321 109.813 108.800 -0.515 0.000 2.442 506 G HA2 -0.200 3.759 3.960 -0.002 0.000 0.219 506 G HA3 -0.200 3.759 3.960 -0.002 0.000 0.219 506 G C 1.855 176.639 174.900 -0.194 0.000 1.141 506 G CA 1.382 46.281 45.100 -0.335 0.000 0.763 506 G HN 0.373 nan 8.290 nan 0.000 0.554 507 V N 1.369 121.204 119.914 -0.132 0.000 2.358 507 V HA -0.095 4.024 4.120 -0.002 0.000 0.246 507 V C 3.298 179.388 176.094 -0.007 0.000 1.047 507 V CA 1.951 64.228 62.300 -0.039 0.000 1.035 507 V CB -0.769 31.129 31.823 0.126 0.000 0.658 507 V HN 0.471 nan 8.190 nan 0.000 0.452 508 A N 0.013 122.750 122.820 -0.138 0.000 1.933 508 A HA -0.087 4.232 4.320 -0.002 0.000 0.218 508 A C 2.416 179.911 177.584 -0.148 0.000 1.175 508 A CA 1.966 53.757 52.037 -0.409 0.000 0.628 508 A CB -0.728 17.680 19.000 -0.987 0.000 0.814 508 A HN 0.559 nan 8.150 nan 0.000 0.444 509 A N -0.110 122.637 122.820 -0.122 0.000 1.933 509 A HA 0.167 4.486 4.320 -0.002 0.000 0.218 509 A C 2.443 179.986 177.584 -0.068 0.000 1.175 509 A CA 1.942 53.932 52.037 -0.078 0.000 0.628 509 A CB -0.916 18.035 19.000 -0.081 0.000 0.814 509 A HN 1.075 nan 8.150 nan 0.000 0.444 510 A N -1.679 121.066 122.820 -0.125 0.000 2.067 510 A HA 0.073 4.392 4.320 -0.002 0.000 0.219 510 A C 1.632 179.094 177.584 -0.204 0.000 1.158 510 A CA 1.154 53.074 52.037 -0.197 0.000 0.661 510 A CB -0.610 18.209 19.000 -0.303 0.000 0.801 510 A HN 0.445 nan 8.150 nan 0.000 0.452 511 F N -0.904 119.048 119.950 0.004 0.000 2.797 511 F HA 0.325 4.851 4.527 -0.002 0.000 0.302 511 F C 1.885 177.714 175.800 0.049 0.000 1.130 511 F CA 0.450 58.481 58.000 0.052 0.000 1.387 511 F CB 0.076 39.155 39.000 0.131 0.000 1.107 511 F HN 0.364 nan 8.300 nan 0.000 0.577 512 G N -0.113 108.782 108.800 0.157 0.000 2.159 512 G HA2 -0.063 3.896 3.960 -0.002 0.000 0.227 512 G HA3 -0.063 3.896 3.960 -0.002 0.000 0.227 512 G C 0.276 175.234 174.900 0.096 0.000 0.986 512 G CA -0.152 45.011 45.100 0.106 0.000 0.651 512 G HN 0.607 nan 8.290 nan 0.000 0.523 513 A N 0.043 122.919 122.820 0.094 0.000 2.293 513 A HA 0.635 4.954 4.320 -0.002 0.000 0.302 513 A C 0.038 177.629 177.584 0.012 0.000 1.119 513 A CA -0.257 51.825 52.037 0.075 0.000 0.823 513 A CB 0.537 19.596 19.000 0.099 0.000 1.097 513 A HN 0.179 nan 8.150 nan 0.000 0.491 514 D N 0.967 121.392 120.400 0.041 0.000 2.450 514 D HA 0.405 5.044 4.640 -0.002 0.000 0.247 514 D C 0.390 176.671 176.300 -0.031 0.000 1.162 514 D CA 1.136 55.127 54.000 -0.015 0.000 0.879 514 D CB 0.981 41.817 40.800 0.059 0.000 1.163 514 D HN 0.667 nan 8.370 nan 0.000 0.472 515 G N 1.587 110.303 108.800 -0.140 0.000 2.470 515 G HA2 0.547 4.506 3.960 -0.002 0.000 0.320 515 G HA3 0.547 4.506 3.960 -0.002 0.000 0.320 515 G C -1.349 173.464 174.900 -0.144 0.000 1.245 515 G CA -0.554 44.530 45.100 -0.026 0.000 0.935 515 G HN 0.327 nan 8.290 nan 0.000 0.476 516 Y N -0.097 120.248 120.300 0.074 0.000 2.536 516 Y HA 0.562 5.111 4.550 -0.002 0.000 0.347 516 Y C -0.170 175.661 175.900 -0.115 0.000 1.000 516 Y CA -0.978 57.126 58.100 0.007 0.000 1.051 516 Y CB 2.880 41.354 38.460 0.023 0.000 1.259 516 Y HN 0.694 nan 8.280 nan 0.000 0.468 517 H N 1.628 120.599 119.070 -0.164 0.000 2.689 517 H HA 0.716 5.271 4.556 -0.002 0.000 0.346 517 H C -1.481 173.786 175.328 -0.102 0.000 1.037 517 H CA -0.837 55.027 56.048 -0.307 0.000 1.234 517 H CB 1.310 30.663 29.762 -0.681 0.000 1.572 517 H HN 0.560 nan 8.280 nan 0.000 0.524 518 V N 2.157 121.753 119.914 -0.531 0.000 3.130 518 V HA 0.577 4.696 4.120 -0.002 0.000 0.310 518 V C -0.738 175.110 176.094 -0.410 0.000 1.158 518 V CA -0.552 61.560 62.300 -0.314 0.000 1.029 518 V CB 2.468 34.233 31.823 -0.096 0.000 1.057 518 V HN 0.943 nan 8.190 nan 0.000 0.436 519 D N -0.201 120.074 120.400 -0.207 0.000 2.640 519 D HA 0.285 4.924 4.640 -0.002 0.000 0.282 519 D C -0.006 176.251 176.300 -0.073 0.000 1.558 519 D CA 0.718 54.624 54.000 -0.156 0.000 0.820 519 D CB -0.019 40.713 40.800 -0.112 0.000 1.243 519 D HN 1.208 nan 8.370 nan 0.000 0.456 520 S N -1.908 113.770 115.700 -0.036 0.000 2.643 520 S HA 0.447 4.916 4.470 -0.002 0.000 0.270 520 S C 0.744 175.378 174.600 0.056 0.000 1.166 520 S CA -0.263 57.938 58.200 0.001 0.000 0.815 520 S CB 1.286 64.480 63.200 -0.011 0.000 1.139 520 S HN -0.187 nan 8.310 nan 0.000 0.472 521 V N 1.355 121.294 119.914 0.041 0.000 2.287 521 V HA -0.166 3.953 4.120 -0.002 0.000 0.248 521 V C 2.765 178.876 176.094 0.029 0.000 1.053 521 V CA 2.572 64.901 62.300 0.049 0.000 1.027 521 V CB -1.164 30.645 31.823 -0.024 0.000 0.646 521 V HN 1.033 nan 8.190 nan 0.000 0.447 522 E N 0.941 121.142 120.200 0.001 0.000 2.038 522 E HA -0.245 4.104 4.350 -0.002 0.000 0.195 522 E C 2.318 178.919 176.600 0.003 0.000 1.000 522 E CA 2.017 58.411 56.400 -0.011 0.000 0.803 522 E CB -0.197 29.493 29.700 -0.017 0.000 0.750 522 E HN 0.737 nan 8.360 nan 0.000 0.448 523 S N 0.135 115.849 115.700 0.024 0.000 2.383 523 S HA -0.166 4.303 4.470 -0.002 0.000 0.227 523 S C 1.941 176.588 174.600 0.078 0.000 1.026 523 S CA 0.861 59.081 58.200 0.034 0.000 0.981 523 S CB -0.642 62.570 63.200 0.020 0.000 0.818 523 S HN 0.407 nan 8.310 nan 0.000 0.472 524 F N 2.785 122.683 119.950 -0.086 0.000 2.134 524 F HA 0.013 4.540 4.527 -0.002 0.000 0.299 524 F C 2.705 178.445 175.800 -0.100 0.000 1.097 524 F CA 0.879 58.817 58.000 -0.103 0.000 1.264 524 F CB -1.189 37.758 39.000 -0.089 0.000 1.001 524 F HN 0.308 nan 8.300 nan 0.000 0.479 525 S N 0.037 115.635 115.700 -0.170 0.000 2.359 525 S HA -0.180 4.289 4.470 -0.002 0.000 0.224 525 S C 2.359 176.851 174.600 -0.180 0.000 1.035 525 S CA 1.453 59.506 58.200 -0.245 0.000 1.018 525 S CB -0.857 62.261 63.200 -0.135 0.000 0.876 525 S HN 0.517 nan 8.310 nan 0.000 0.448 526 A N 1.163 123.919 122.820 -0.107 0.000 1.902 526 A HA 0.162 4.481 4.320 -0.002 0.000 0.217 526 A C 2.418 179.919 177.584 -0.139 0.000 1.181 526 A CA 1.914 53.898 52.037 -0.089 0.000 0.623 526 A CB -1.283 17.695 19.000 -0.037 0.000 0.818 526 A HN 0.715 nan 8.150 nan 0.000 0.443 527 A N -0.615 122.105 122.820 -0.166 0.000 1.898 527 A HA 0.004 4.323 4.320 -0.002 0.000 0.216 527 A C 2.115 179.407 177.584 -0.487 0.000 1.181 527 A CA 1.696 53.517 52.037 -0.361 0.000 0.620 527 A CB -0.598 18.216 19.000 -0.310 0.000 0.819 527 A HN 0.624 nan 8.150 nan 0.000 0.442 528 L N -0.107 120.884 121.223 -0.387 0.000 2.017 528 L HA -0.052 4.287 4.340 -0.002 0.000 0.208 528 L C 2.683 179.308 176.870 -0.408 0.000 1.073 528 L CA 2.202 56.787 54.840 -0.426 0.000 0.745 528 L CB -0.994 40.725 42.059 -0.567 0.000 0.894 528 L HN 0.350 nan 8.230 nan 0.000 0.432 529 A N -1.136 121.494 122.820 -0.316 0.000 1.908 529 A HA -0.302 4.017 4.320 -0.002 0.000 0.218 529 A C 2.337 179.792 177.584 -0.215 0.000 1.181 529 A CA 1.938 53.850 52.037 -0.209 0.000 0.627 529 A CB -0.715 18.231 19.000 -0.089 0.000 0.818 529 A HN 0.663 nan 8.150 nan 0.000 0.445 530 Q N -0.793 118.867 119.800 -0.234 0.000 2.119 530 Q HA -0.074 4.265 4.340 -0.002 0.000 0.201 530 Q C 2.184 177.982 176.000 -0.338 0.000 0.972 530 Q CA 1.317 56.961 55.803 -0.265 0.000 0.847 530 Q CB -0.299 28.358 28.738 -0.136 0.000 0.903 530 Q HN 0.624 nan 8.270 nan 0.000 0.433 531 A N 0.548 123.203 122.820 -0.276 0.000 1.898 531 A HA -0.142 4.177 4.320 -0.002 0.000 0.216 531 A C 1.892 179.407 177.584 -0.116 0.000 1.181 531 A CA 0.909 52.856 52.037 -0.149 0.000 0.620 531 A CB -0.535 18.356 19.000 -0.181 0.000 0.819 531 A HN 0.403 nan 8.150 nan 0.000 0.442 532 L N -0.488 120.630 121.223 -0.177 0.000 2.191 532 L HA -0.101 4.238 4.340 -0.002 0.000 0.212 532 L C 2.741 179.561 176.870 -0.083 0.000 1.103 532 L CA 1.775 56.537 54.840 -0.129 0.000 0.769 532 L CB -1.400 40.550 42.059 -0.182 0.000 0.908 532 L HN 0.446 nan 8.230 nan 0.000 0.438 533 A N -2.397 120.335 122.820 -0.146 0.000 2.167 533 A HA -0.049 4.270 4.320 -0.002 0.000 0.214 533 A C 0.445 178.056 177.584 0.044 0.000 1.151 533 A CA 0.366 52.342 52.037 -0.102 0.000 0.735 533 A CB -0.512 18.384 19.000 -0.173 0.000 0.802 533 A HN 0.374 nan 8.150 nan 0.000 0.467 534 H N -0.807 118.279 119.070 0.027 0.000 2.492 534 H HA 0.315 4.870 4.556 -0.002 0.000 0.345 534 H C -0.644 174.709 175.328 0.041 0.000 1.136 534 H CA -1.381 54.692 56.048 0.042 0.000 1.202 534 H CB 0.902 30.703 29.762 0.065 0.000 1.524 534 H HN 0.215 nan 8.280 nan 0.000 0.506 535 N N 2.777 121.576 118.700 0.165 0.000 3.188 535 N HA 0.119 4.858 4.740 -0.002 0.000 0.279 535 N C -0.808 174.762 175.510 0.099 0.000 1.213 535 N CA -0.143 52.969 53.050 0.104 0.000 1.138 535 N CB -0.260 38.271 38.487 0.073 0.000 1.417 535 N HN 0.490 nan 8.380 nan 0.000 0.526 536 R N 0.554 121.129 120.500 0.124 0.000 2.663 536 R HA 0.415 4.754 4.340 -0.002 0.000 0.267 536 R C -2.723 173.664 176.300 0.144 0.000 1.038 536 R CA -1.415 54.758 56.100 0.122 0.000 0.886 536 R CB 1.931 32.304 30.300 0.121 0.000 1.249 536 R HN 0.240 nan 8.270 nan 0.000 0.463 537 P HA 0.358 nan 4.420 nan 0.000 0.274 537 P C -1.417 176.012 177.300 0.216 0.000 1.237 537 P CA -0.298 62.917 63.100 0.191 0.000 0.793 537 P CB 1.368 33.206 31.700 0.230 0.000 0.977 538 A N 0.923 123.891 122.820 0.246 0.000 2.606 538 A HA 0.570 4.889 4.320 -0.002 0.000 0.293 538 A C -1.482 176.271 177.584 0.281 0.000 1.082 538 A CA -0.530 51.663 52.037 0.261 0.000 0.685 538 A CB 1.254 20.434 19.000 0.300 0.000 1.284 538 A HN 0.652 nan 8.150 nan 0.000 0.408 539 C N 2.188 121.636 119.300 0.246 0.000 2.364 539 C HA 0.795 5.254 4.460 -0.002 0.000 0.324 539 C C -1.017 174.140 174.990 0.278 0.000 1.234 539 C CA -0.526 58.633 59.018 0.235 0.000 1.417 539 C CB -1.059 26.712 27.740 0.052 0.000 2.101 539 C HN 0.601 nan 8.230 nan 0.000 0.466 540 I N 6.177 126.871 120.570 0.208 0.000 2.354 540 I HA 0.347 4.516 4.170 -0.002 0.000 0.286 540 I C 0.051 176.218 176.117 0.083 0.000 1.007 540 I CA 0.005 61.401 61.300 0.158 0.000 1.167 540 I CB 0.990 39.044 38.000 0.091 0.000 1.320 540 I HN 0.705 nan 8.210 nan 0.000 0.458 541 N N 6.167 124.924 118.700 0.095 0.000 2.439 541 N HA 0.404 5.143 4.740 -0.002 0.000 0.249 541 N C -1.239 174.204 175.510 -0.111 0.000 1.003 541 N CA -0.429 52.686 53.050 0.108 0.000 0.942 541 N CB 1.119 39.834 38.487 0.379 0.000 1.115 541 N HN 0.287 nan 8.380 nan 0.000 0.505 542 V N 2.783 122.582 119.914 -0.192 0.000 2.334 542 V HA 0.409 4.528 4.120 -0.002 0.000 0.281 542 V C 0.364 176.319 176.094 -0.231 0.000 1.016 542 V CA -1.009 61.074 62.300 -0.363 0.000 0.832 542 V CB 0.860 32.318 31.823 -0.610 0.000 0.999 542 V HN 0.737 nan 8.190 nan 0.000 0.439 543 A N 5.210 127.891 122.820 -0.232 0.000 2.451 543 A HA 0.617 4.936 4.320 -0.002 0.000 0.266 543 A C -0.266 177.250 177.584 -0.113 0.000 1.119 543 A CA 0.054 52.030 52.037 -0.102 0.000 0.786 543 A CB 0.352 19.318 19.000 -0.056 0.000 1.061 543 A HN 0.703 nan 8.150 nan 0.000 0.503 544 V N 1.847 121.712 119.914 -0.081 0.000 3.007 544 V HA 0.651 4.770 4.120 -0.002 0.000 0.311 544 V C 0.611 176.663 176.094 -0.070 0.000 1.120 544 V CA -0.306 61.936 62.300 -0.097 0.000 0.980 544 V CB 2.036 33.781 31.823 -0.130 0.000 1.033 544 V HN 1.292 nan 8.190 nan 0.000 0.429 545 A N 2.335 125.099 122.820 -0.094 0.000 2.425 545 A HA 0.457 4.776 4.320 -0.002 0.000 0.242 545 A C 0.532 178.082 177.584 -0.056 0.000 1.077 545 A CA 0.223 52.216 52.037 -0.073 0.000 0.781 545 A CB 0.332 19.270 19.000 -0.103 0.000 1.020 545 A HN 0.977 nan 8.150 nan 0.000 0.494 546 L N 0.176 121.407 121.223 0.013 0.000 2.357 546 L HA 0.152 4.491 4.340 -0.002 0.000 0.211 546 L C 1.353 178.342 176.870 0.198 0.000 1.075 546 L CA 1.568 56.462 54.840 0.089 0.000 0.830 546 L CB -0.366 41.754 42.059 0.102 0.000 0.996 546 L HN 0.725 nan 8.230 nan 0.000 0.467 547 D N 0.282 120.754 120.400 0.119 0.000 2.144 547 D HA -0.043 4.596 4.640 -0.002 0.000 0.199 547 D C -1.261 175.113 176.300 0.123 0.000 0.984 547 D CA 0.689 54.753 54.000 0.106 0.000 0.834 547 D CB -1.604 39.220 40.800 0.040 0.000 0.955 547 D HN 0.330 nan 8.370 nan 0.000 0.465 548 P HA 0.065 nan 4.420 nan 0.000 0.266 548 P C -0.186 177.390 177.300 0.461 0.000 1.195 548 P CA 0.289 63.517 63.100 0.213 0.000 0.768 548 P CB 0.547 32.216 31.700 -0.053 0.000 0.838 549 I N 5.101 125.892 120.570 0.368 0.000 2.330 549 I HA 0.277 4.446 4.170 -0.002 0.000 0.289 549 I C -1.957 174.132 176.117 -0.047 0.000 1.001 549 I CA -2.490 58.936 61.300 0.210 0.000 1.193 549 I CB 1.551 39.582 38.000 0.051 0.000 1.345 549 I HN 0.192 nan 8.210 nan 0.000 0.461 550 P HA 0.204 nan 4.420 nan 0.000 0.275 550 P C -2.308 174.649 177.300 -0.572 0.000 1.227 550 P CA -1.476 60.866 63.100 -1.264 0.000 0.781 550 P CB 0.501 31.175 31.700 -1.710 0.000 0.906 551 P HA -0.223 nan 4.420 nan 0.000 0.218 551 P C 1.430 178.572 177.300 -0.262 0.000 1.154 551 P CA 1.699 64.632 63.100 -0.278 0.000 0.872 551 P CB -0.004 31.559 31.700 -0.227 0.000 0.790 552 E N -0.573 119.466 120.200 -0.269 0.000 2.153 552 E HA -0.209 4.140 4.350 -0.002 0.000 0.194 552 E C 1.948 178.451 176.600 -0.162 0.000 0.988 552 E CA 0.902 57.184 56.400 -0.196 0.000 0.811 552 E CB -0.474 29.144 29.700 -0.136 0.000 0.746 552 E HN 0.503 nan 8.360 nan 0.000 0.466 553 E N 0.710 120.797 120.200 -0.188 0.000 2.268 553 E HA -0.103 4.246 4.350 -0.002 0.000 0.195 553 E C 1.679 178.246 176.600 -0.054 0.000 0.995 553 E CA 0.161 56.499 56.400 -0.103 0.000 0.836 553 E CB -0.058 29.596 29.700 -0.078 0.000 0.763 553 E HN 0.197 nan 8.360 nan 0.000 0.491 554 L N 1.325 122.497 121.223 -0.085 0.000 2.633 554 L HA 0.004 4.343 4.340 -0.002 0.000 0.235 554 L C 0.596 177.432 176.870 -0.056 0.000 1.163 554 L CA 0.160 54.960 54.840 -0.066 0.000 0.859 554 L CB -0.510 41.502 42.059 -0.079 0.000 0.973 554 L HN 0.173 nan 8.230 nan 0.000 0.451 555 I N 0.000 120.537 120.570 -0.055 0.000 2.984 555 I HA 0.000 4.169 4.170 -0.002 0.000 0.288 555 I CA 0.000 61.281 61.300 -0.031 0.000 1.566 555 I CB 0.000 37.938 38.000 -0.104 0.000 1.214 555 I HN 0.000 nan 8.210 nan 0.000 0.494