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_C 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 0.000 177.591 177.584 0.012 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 0.009 0.000 0.831 3 M N 1.918 121.524 119.600 0.010 0.000 2.144 3 M HA 0.588 5.067 4.480 -0.002 0.000 0.356 3 M C -0.194 176.116 176.300 0.016 0.000 1.217 3 M CA -0.441 54.865 55.300 0.010 0.000 1.087 3 M CB 0.226 32.829 32.600 0.005 0.000 1.609 3 M HN 0.580 nan 8.290 nan 0.000 0.467 4 I N -0.213 120.368 120.570 0.019 0.000 2.969 4 I HA 0.763 4.932 4.170 -0.002 0.000 0.307 4 I C 0.178 176.312 176.117 0.028 0.000 1.149 4 I CA -0.874 60.443 61.300 0.028 0.000 1.008 4 I CB 2.323 40.346 38.000 0.038 0.000 1.232 4 I HN 0.649 nan 8.210 nan 0.000 0.435 5 T N 0.393 114.970 114.554 0.037 0.000 2.874 5 T HA 0.407 4.756 4.350 -0.002 0.000 0.281 5 T C 1.184 175.909 174.700 0.043 0.000 0.994 5 T CA -0.048 62.076 62.100 0.039 0.000 1.015 5 T CB 1.345 70.245 68.868 0.053 0.000 1.028 5 T HN 0.924 nan 8.240 nan 0.000 0.523 6 G N 0.257 109.083 108.800 0.043 0.000 2.422 6 G HA2 0.008 3.967 3.960 -0.002 0.000 0.218 6 G HA3 0.008 3.967 3.960 -0.002 0.000 0.218 6 G C 1.544 176.477 174.900 0.056 0.000 1.146 6 G CA 0.583 45.711 45.100 0.047 0.000 0.769 6 G HN 1.031 nan 8.290 nan 0.000 0.547 7 G N 0.438 109.280 108.800 0.070 0.000 2.440 7 G HA2 -0.171 3.788 3.960 -0.002 0.000 0.218 7 G HA3 -0.171 3.788 3.960 -0.002 0.000 0.218 7 G C 1.628 176.562 174.900 0.056 0.000 1.154 7 G CA 1.062 46.205 45.100 0.072 0.000 0.767 7 G HN 0.346 nan 8.290 nan 0.000 0.552 8 E N 0.333 120.571 120.200 0.062 0.000 2.085 8 E HA -0.084 4.265 4.350 -0.002 0.000 0.194 8 E C 2.711 179.328 176.600 0.027 0.000 0.994 8 E CA 0.634 57.070 56.400 0.060 0.000 0.801 8 E CB -0.323 29.422 29.700 0.075 0.000 0.743 8 E HN 0.462 nan 8.360 nan 0.000 0.453 9 L N 0.062 121.303 121.223 0.030 0.000 2.046 9 L HA -0.188 4.151 4.340 -0.002 0.000 0.208 9 L C 2.584 179.460 176.870 0.010 0.000 1.077 9 L CA 0.714 55.566 54.840 0.021 0.000 0.747 9 L CB -0.501 41.577 42.059 0.031 0.000 0.896 9 L HN -0.001 nan 8.230 nan 0.000 0.432 10 V N -0.633 119.291 119.914 0.017 0.000 2.252 10 V HA -0.292 3.827 4.120 -0.002 0.000 0.249 10 V C 2.381 178.460 176.094 -0.025 0.000 1.056 10 V CA 1.868 64.174 62.300 0.010 0.000 1.022 10 V CB -0.400 31.435 31.823 0.020 0.000 0.641 10 V HN 0.209 nan 8.190 nan 0.000 0.445 11 V N -0.365 119.521 119.914 -0.047 0.000 2.427 11 V HA -0.205 3.914 4.120 -0.002 0.000 0.248 11 V C 2.555 178.545 176.094 -0.173 0.000 1.051 11 V CA 1.843 64.079 62.300 -0.107 0.000 1.048 11 V CB -0.792 30.968 31.823 -0.104 0.000 0.666 11 V HN 0.464 nan 8.190 nan 0.000 0.456 12 R N -0.180 120.222 120.500 -0.163 0.000 2.120 12 R HA -0.132 4.207 4.340 -0.002 0.000 0.234 12 R C 2.302 178.545 176.300 -0.094 0.000 1.123 12 R CA 1.871 57.872 56.100 -0.165 0.000 0.975 12 R CB -0.564 29.681 30.300 -0.092 0.000 0.866 12 R HN 0.528 nan 8.270 nan 0.000 0.446 13 T N 1.313 115.834 114.554 -0.056 0.000 2.896 13 T HA 0.009 4.358 4.350 -0.002 0.000 0.263 13 T C 1.911 176.592 174.700 -0.031 0.000 1.050 13 T CA 0.696 62.780 62.100 -0.027 0.000 1.140 13 T CB -0.051 68.818 68.868 0.001 0.000 0.877 13 T HN 0.107 nan 8.240 nan 0.000 0.457 14 L N 0.420 121.616 121.223 -0.045 0.000 2.046 14 L HA -0.057 4.282 4.340 -0.002 0.000 0.208 14 L C 2.457 179.293 176.870 -0.056 0.000 1.077 14 L CA 1.292 56.105 54.840 -0.045 0.000 0.747 14 L CB -0.656 41.368 42.059 -0.059 0.000 0.896 14 L HN 0.245 nan 8.230 nan 0.000 0.432 15 I N -0.087 120.430 120.570 -0.088 0.000 2.179 15 I HA -0.318 3.851 4.170 -0.002 0.000 0.242 15 I C 2.609 178.695 176.117 -0.051 0.000 1.088 15 I CA 1.411 62.660 61.300 -0.086 0.000 1.357 15 I CB -0.245 37.673 38.000 -0.135 0.000 1.051 15 I HN 0.173 nan 8.210 nan 0.000 0.409 16 K N 0.870 121.243 120.400 -0.046 0.000 2.280 16 K HA -0.094 4.225 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 1.180 57.452 56.287 -0.026 0.000 0.942 16 K CB -0.034 32.453 32.500 -0.022 0.000 0.739 16 K HN 0.341 nan 8.250 nan 0.000 0.457 17 A N -0.505 122.307 122.820 -0.014 0.000 2.218 17 A HA 0.223 4.542 4.320 -0.002 0.000 0.209 17 A C 1.293 178.878 177.584 0.002 0.000 1.168 17 A CA 0.731 52.766 52.037 -0.003 0.000 0.804 17 A CB -0.195 18.807 19.000 0.004 0.000 0.834 17 A HN 0.439 nan 8.150 nan 0.000 0.482 18 G N -0.973 107.824 108.800 -0.005 0.000 2.141 18 G HA2 -0.113 3.846 3.960 -0.002 0.000 0.231 18 G HA3 -0.113 3.846 3.960 -0.002 0.000 0.231 18 G C 0.445 175.354 174.900 0.016 0.000 0.984 18 G CA 0.461 45.563 45.100 0.004 0.000 0.660 18 G HN 1.789 nan 8.290 nan 0.000 0.525 19 V N -1.496 118.421 119.914 0.005 0.000 2.686 19 V HA 0.757 4.876 4.120 -0.002 0.000 0.295 19 V C 0.788 176.858 176.094 -0.039 0.000 1.055 19 V CA 0.907 63.214 62.300 0.013 0.000 1.050 19 V CB 1.529 33.352 31.823 0.001 0.000 0.984 19 V HN 0.338 nan 8.190 nan 0.000 0.482 20 E N 2.587 122.764 120.200 -0.037 0.000 2.541 20 E HA 0.281 4.630 4.350 -0.002 0.000 0.219 20 E C -0.804 175.477 176.600 -0.532 0.000 0.922 20 E CA -0.047 56.224 56.400 -0.214 0.000 1.095 20 E CB 0.601 30.211 29.700 -0.149 0.000 1.112 20 E HN 0.979 nan 8.360 nan 0.000 0.516 21 H N -0.760 118.190 119.070 -0.199 0.000 2.974 21 H HA 0.417 4.972 4.556 -0.002 0.000 0.366 21 H C -1.353 173.671 175.328 -0.506 0.000 1.155 21 H CA -0.647 55.153 56.048 -0.413 0.000 1.186 21 H CB 1.509 30.912 29.762 -0.599 0.000 1.799 21 H HN -0.146 nan 8.280 nan 0.000 0.541 22 L N 1.971 122.926 121.223 -0.446 0.000 2.323 22 L HA 0.567 4.906 4.340 -0.002 0.000 0.265 22 L C -1.156 175.323 176.870 -0.652 0.000 1.012 22 L CA -0.444 54.147 54.840 -0.415 0.000 0.820 22 L CB 1.182 43.070 42.059 -0.285 0.000 1.334 22 L HN 0.493 nan 8.230 nan 0.000 0.427 23 F N 0.109 119.962 119.950 -0.161 0.000 2.518 23 F HA 0.799 5.325 4.527 -0.001 0.000 0.323 23 F C 0.572 176.332 175.800 -0.068 0.000 1.129 23 F CA -0.411 57.524 58.000 -0.109 0.000 0.920 23 F CB 2.048 40.977 39.000 -0.118 0.000 1.160 23 F HN 0.496 nan 8.300 nan 0.000 0.440 24 G N 2.320 111.200 108.800 0.134 0.000 2.570 24 G HA2 0.606 4.565 3.960 -0.002 0.000 0.310 24 G HA3 0.606 4.565 3.960 -0.002 0.000 0.310 24 G C -2.667 172.349 174.900 0.194 0.000 1.266 24 G CA -0.645 44.541 45.100 0.142 0.000 0.825 24 G HN 0.469 nan 8.290 nan 0.000 0.483 25 L N 0.613 121.978 121.223 0.237 0.000 2.588 25 L HA 0.523 4.862 4.340 -0.002 0.000 0.263 25 L C -0.817 176.180 176.870 0.213 0.000 0.935 25 L CA -0.682 54.280 54.840 0.204 0.000 0.891 25 L CB 1.210 43.331 42.059 0.103 0.000 1.318 25 L HN 0.920 nan 8.230 nan 0.000 0.409 26 H N 2.842 121.918 119.070 0.011 0.000 2.790 26 H HA 0.597 5.152 4.556 -0.002 0.000 0.358 26 H C -0.025 175.194 175.328 -0.181 0.000 1.103 26 H CA 1.256 57.118 56.048 -0.309 0.000 1.426 26 H CB 1.182 30.544 29.762 -0.667 0.000 1.424 26 H HN 0.820 nan 8.280 nan 0.000 0.599 27 G N 1.582 109.865 108.800 -0.863 0.000 2.733 27 G HA2 0.462 4.421 3.960 -0.002 0.000 0.297 27 G HA3 0.462 4.421 3.960 -0.002 0.000 0.297 27 G C 0.250 174.736 174.900 -0.689 0.000 1.422 27 G CA -0.274 44.511 45.100 -0.524 0.000 0.942 27 G HN 0.868 nan 8.290 nan 0.000 0.510 28 A N 0.356 122.989 122.820 -0.313 0.000 1.940 28 A HA -0.110 4.209 4.320 -0.002 0.000 0.219 28 A C 1.808 179.112 177.584 -0.467 0.000 1.176 28 A CA 1.954 53.841 52.037 -0.251 0.000 0.631 28 A CB -0.894 18.011 19.000 -0.160 0.000 0.814 28 A HN 0.810 nan 8.150 nan 0.000 0.446 29 H N -0.325 118.271 119.070 -0.789 0.000 2.457 29 H HA -0.103 4.452 4.556 -0.002 0.000 0.297 29 H C 1.520 176.591 175.328 -0.429 0.000 1.092 29 H CA 1.646 57.074 56.048 -1.034 0.000 1.309 29 H CB -0.111 29.190 29.762 -0.769 0.000 1.382 29 H HN 0.754 nan 8.280 nan 0.000 0.535 30 I N -1.972 118.504 120.570 -0.156 0.000 3.936 30 I HA 0.163 4.332 4.170 -0.002 0.000 0.330 30 I C 1.059 177.231 176.117 0.092 0.000 1.509 30 I CA -0.047 61.256 61.300 0.005 0.000 1.126 30 I CB 0.431 38.460 38.000 0.049 0.000 1.115 30 I HN -0.191 nan 8.210 nan 0.000 0.424 31 D N 2.212 122.630 120.400 0.029 0.000 2.218 31 D HA -0.209 4.430 4.640 -0.002 0.000 0.204 31 D C 2.279 178.721 176.300 0.237 0.000 0.976 31 D CA 2.231 56.322 54.000 0.152 0.000 0.853 31 D CB 0.279 41.173 40.800 0.156 0.000 0.939 31 D HN 0.526 nan 8.370 nan 0.000 0.481 32 T N -1.666 113.003 114.554 0.192 0.000 2.881 32 T HA -0.136 4.213 4.350 -0.002 0.000 0.270 32 T C 2.136 176.929 174.700 0.156 0.000 1.068 32 T CA 0.866 63.065 62.100 0.165 0.000 1.131 32 T CB -0.500 68.453 68.868 0.142 0.000 0.871 32 T HN 0.219 nan 8.240 nan 0.000 0.479 33 I N -0.425 120.242 120.570 0.162 0.000 2.286 33 I HA 0.025 4.194 4.170 -0.002 0.000 0.245 33 I C 2.194 178.361 176.117 0.083 0.000 1.104 33 I CA 1.074 62.430 61.300 0.094 0.000 1.397 33 I CB -0.385 37.641 38.000 0.043 0.000 1.072 33 I HN 0.102 nan 8.210 nan 0.000 0.417 34 F N 1.101 121.088 119.950 0.062 0.000 2.126 34 F HA -0.251 4.275 4.527 -0.002 0.000 0.299 34 F C 2.755 178.598 175.800 0.071 0.000 1.096 34 F CA 1.431 59.479 58.000 0.080 0.000 1.255 34 F CB -0.450 38.642 39.000 0.154 0.000 0.997 34 F HN 0.083 nan 8.300 nan 0.000 0.479 35 Q N -0.086 119.873 119.800 0.264 0.000 2.124 35 Q HA -0.131 4.208 4.340 -0.002 0.000 0.202 35 Q C 2.545 178.619 176.000 0.123 0.000 0.977 35 Q CA 1.435 57.337 55.803 0.164 0.000 0.850 35 Q CB -1.023 27.797 28.738 0.135 0.000 0.901 35 Q HN 0.449 nan 8.270 nan 0.000 0.429 36 A N 0.361 123.257 122.820 0.126 0.000 1.898 36 A HA -0.157 4.162 4.320 -0.002 0.000 0.216 36 A C 2.532 180.218 177.584 0.170 0.000 1.181 36 A CA 1.322 53.450 52.037 0.151 0.000 0.620 36 A CB -0.902 18.172 19.000 0.123 0.000 0.819 36 A HN 0.450 nan 8.150 nan 0.000 0.442 37 C N -0.831 118.511 119.300 0.070 0.000 2.425 37 C HA -0.046 4.413 4.460 -0.002 0.000 0.277 37 C C 2.488 177.503 174.990 0.041 0.000 1.280 37 C CA 0.917 59.946 59.018 0.018 0.000 1.744 37 C CB -1.230 26.449 27.740 -0.100 0.000 1.989 37 C HN 0.652 nan 8.230 nan 0.000 0.491 38 L N 0.988 122.245 121.223 0.056 0.000 2.056 38 L HA -0.124 4.215 4.340 -0.002 0.000 0.207 38 L C 2.022 178.903 176.870 0.019 0.000 1.078 38 L CA 2.107 56.974 54.840 0.045 0.000 0.749 38 L CB -0.979 41.121 42.059 0.068 0.000 0.901 38 L HN 0.320 nan 8.230 nan 0.000 0.433 39 D N -0.992 119.413 120.400 0.010 0.000 2.178 39 D HA -0.167 4.472 4.640 -0.002 0.000 0.202 39 D C 1.630 177.822 176.300 -0.180 0.000 0.974 39 D CA 1.285 55.229 54.000 -0.094 0.000 0.841 39 D CB -0.058 40.657 40.800 -0.143 0.000 0.953 39 D HN 0.496 nan 8.370 nan 0.000 0.478 40 H N -0.219 118.841 119.070 -0.016 0.000 2.551 40 H HA 0.121 4.676 4.556 -0.002 0.000 0.271 40 H C -0.119 175.186 175.328 -0.037 0.000 0.984 40 H CA 0.042 56.075 56.048 -0.025 0.000 1.164 40 H CB 0.502 30.246 29.762 -0.030 0.000 1.437 40 H HN -0.093 nan 8.280 nan 0.000 0.550 41 D N 0.346 120.773 120.400 0.045 0.000 2.870 41 D HA -0.153 4.486 4.640 -0.002 0.000 0.228 41 D C -0.764 175.519 176.300 -0.029 0.000 1.147 41 D CA 0.384 54.386 54.000 0.003 0.000 0.757 41 D CB -0.974 39.824 40.800 -0.003 0.000 1.091 41 D HN 0.129 nan 8.370 nan 0.000 0.429 42 V N 2.136 122.028 119.914 -0.036 0.000 2.348 42 V HA 0.277 4.396 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 -0.990 61.243 62.300 -0.112 0.000 0.872 42 V CB 1.376 33.129 31.823 -0.117 0.000 1.002 42 V HN -0.002 nan 8.190 nan 0.000 0.464 43 P HA 0.347 nan 4.420 nan 0.000 0.275 43 P C -0.682 176.499 177.300 -0.197 0.000 1.227 43 P CA -0.090 62.931 63.100 -0.132 0.000 0.781 43 P CB 1.097 32.748 31.700 -0.082 0.000 0.906 44 I N 3.679 124.138 120.570 -0.185 0.000 2.362 44 I HA 0.269 4.438 4.170 -0.002 0.000 0.289 44 I C 0.547 176.564 176.117 -0.166 0.000 0.994 44 I CA -0.921 60.228 61.300 -0.253 0.000 1.158 44 I CB 1.233 39.016 38.000 -0.362 0.000 1.315 44 I HN 0.090 nan 8.210 nan 0.000 0.451 45 I N 6.320 126.728 120.570 -0.270 0.000 2.329 45 I HA 0.067 4.236 4.170 -0.002 0.000 0.295 45 I C 0.123 176.255 176.117 0.026 0.000 1.109 45 I CA -0.110 61.114 61.300 -0.128 0.000 1.297 45 I CB -0.202 37.679 38.000 -0.199 0.000 1.433 45 I HN 0.607 nan 8.210 nan 0.000 0.509 46 D N 5.179 125.627 120.400 0.080 0.000 2.249 46 D HA 0.245 4.884 4.640 -0.002 0.000 0.246 46 D C 0.371 176.732 176.300 0.101 0.000 1.114 46 D CA -0.318 53.761 54.000 0.131 0.000 0.854 46 D CB 1.937 42.846 40.800 0.182 0.000 1.132 46 D HN 0.491 nan 8.370 nan 0.000 0.461 47 T N 0.184 114.799 114.554 0.102 0.000 2.898 47 T HA 0.370 4.719 4.350 -0.002 0.000 0.283 47 T C 0.992 175.715 174.700 0.038 0.000 1.059 47 T CA -0.826 61.311 62.100 0.061 0.000 0.958 47 T CB 1.342 70.252 68.868 0.069 0.000 1.594 47 T HN 0.219 nan 8.240 nan 0.000 0.598 48 R N -0.067 120.439 120.500 0.011 0.000 2.397 48 R HA 0.300 4.639 4.340 -0.002 0.000 0.241 48 R C -0.075 176.264 176.300 0.066 0.000 0.914 48 R CA -0.012 56.094 56.100 0.010 0.000 1.071 48 R CB -0.481 29.790 30.300 -0.048 0.000 1.116 48 R HN 0.744 nan 8.270 nan 0.000 0.524 49 H N -0.335 118.721 119.070 -0.023 0.000 3.123 49 H HA 0.143 4.698 4.556 -0.002 0.000 0.346 49 H C -0.041 175.283 175.328 -0.006 0.000 1.138 49 H CA -0.268 55.773 56.048 -0.013 0.000 1.273 49 H CB 1.592 31.343 29.762 -0.018 0.000 1.926 49 H HN -0.225 nan 8.280 nan 0.000 0.524 50 E N 2.926 123.253 120.200 0.210 0.000 2.160 50 E HA -0.102 4.247 4.350 -0.002 0.000 0.195 50 E C 1.942 178.627 176.600 0.141 0.000 0.991 50 E CA 1.702 58.194 56.400 0.153 0.000 0.810 50 E CB 0.154 29.896 29.700 0.070 0.000 0.742 50 E HN 0.626 nan 8.360 nan 0.000 0.466 51 A N 0.984 123.945 122.820 0.235 0.000 1.883 51 A HA -0.147 4.172 4.320 -0.002 0.000 0.217 51 A C 2.383 179.891 177.584 -0.127 0.000 1.186 51 A CA 1.924 53.910 52.037 -0.085 0.000 0.624 51 A CB -0.899 17.973 19.000 -0.213 0.000 0.822 51 A HN 0.310 nan 8.150 nan 0.000 0.444 52 A N -0.274 122.537 122.820 -0.014 0.000 1.933 52 A HA 0.177 4.496 4.320 -0.002 0.000 0.218 52 A C 2.484 180.075 177.584 0.012 0.000 1.175 52 A CA 2.016 54.065 52.037 0.020 0.000 0.628 52 A CB -0.954 18.032 19.000 -0.023 0.000 0.814 52 A HN 1.055 nan 8.150 nan 0.000 0.444 53 A N -0.368 122.474 122.820 0.037 0.000 1.877 53 A HA 0.099 4.418 4.320 -0.002 0.000 0.216 53 A C 2.423 179.991 177.584 -0.027 0.000 1.186 53 A CA 2.000 54.072 52.037 0.059 0.000 0.620 53 A CB -1.410 17.658 19.000 0.114 0.000 0.822 53 A HN 0.710 nan 8.150 nan 0.000 0.443 54 G N -1.345 107.431 108.800 -0.041 0.000 2.421 54 G HA2 -0.242 3.717 3.960 -0.002 0.000 0.216 54 G HA3 -0.242 3.717 3.960 -0.002 0.000 0.216 54 G C 1.466 176.299 174.900 -0.111 0.000 1.171 54 G CA 1.080 46.154 45.100 -0.044 0.000 0.775 54 G HN 0.654 nan 8.290 nan 0.000 0.543 55 H N 0.799 119.850 119.070 -0.031 0.000 2.457 55 H HA 0.078 4.633 4.556 -0.002 0.000 0.294 55 H C 2.847 178.063 175.328 -0.187 0.000 1.064 55 H CA 0.976 56.977 56.048 -0.078 0.000 1.330 55 H CB -0.430 29.292 29.762 -0.068 0.000 1.395 55 H HN 0.398 nan 8.280 nan 0.000 0.541 56 A N 1.126 123.833 122.820 -0.189 0.000 1.930 56 A HA -0.030 4.289 4.320 -0.002 0.000 0.217 56 A C 2.705 179.774 177.584 -0.859 0.000 1.175 56 A CA 1.446 53.164 52.037 -0.532 0.000 0.627 56 A CB -0.681 17.922 19.000 -0.662 0.000 0.815 56 A HN 0.414 nan 8.150 nan 0.000 0.443 57 A N -0.032 122.384 122.820 -0.673 0.000 1.902 57 A HA -0.192 4.127 4.320 -0.002 0.000 0.217 57 A C 1.899 179.370 177.584 -0.188 0.000 1.181 57 A CA 1.696 53.480 52.037 -0.422 0.000 0.623 57 A CB -0.548 18.282 19.000 -0.284 0.000 0.818 57 A HN 0.641 nan 8.150 nan 0.000 0.443 58 E N -0.743 119.377 120.200 -0.135 0.000 2.038 58 E HA -0.160 4.189 4.350 -0.002 0.000 0.195 58 E C 2.192 178.760 176.600 -0.054 0.000 1.000 58 E CA 0.971 57.347 56.400 -0.040 0.000 0.803 58 E CB -0.456 29.264 29.700 0.032 0.000 0.750 58 E HN 0.605 nan 8.360 nan 0.000 0.448 59 G N 0.332 109.074 108.800 -0.097 0.000 2.440 59 G HA2 -0.314 3.645 3.960 -0.002 0.000 0.218 59 G HA3 -0.314 3.645 3.960 -0.002 0.000 0.218 59 G C 1.407 176.276 174.900 -0.052 0.000 1.154 59 G CA 0.969 46.013 45.100 -0.094 0.000 0.767 59 G HN 0.288 nan 8.290 nan 0.000 0.552 60 Y N 1.918 122.104 120.300 -0.190 0.000 2.128 60 Y HA -0.038 4.511 4.550 -0.002 0.000 0.284 60 Y C 2.955 178.830 175.900 -0.042 0.000 1.154 60 Y CA 1.732 59.779 58.100 -0.088 0.000 1.149 60 Y CB -0.315 38.130 38.460 -0.025 0.000 0.976 60 Y HN 0.258 nan 8.280 nan 0.000 0.505 61 A N 0.590 123.465 122.820 0.092 0.000 1.858 61 A HA -0.208 4.111 4.320 -0.002 0.000 0.216 61 A C 2.261 179.814 177.584 -0.051 0.000 1.190 61 A CA 1.998 54.047 52.037 0.020 0.000 0.617 61 A CB -0.710 18.321 19.000 0.052 0.000 0.827 61 A HN 0.542 nan 8.150 nan 0.000 0.443 62 R N -0.641 119.829 120.500 -0.049 0.000 2.081 62 R HA -0.074 4.265 4.340 -0.002 0.000 0.235 62 R C 2.334 178.588 176.300 -0.077 0.000 1.131 62 R CA 1.363 57.426 56.100 -0.062 0.000 0.960 62 R CB -0.395 29.863 30.300 -0.070 0.000 0.856 62 R HN 0.516 nan 8.270 nan 0.000 0.436 63 A N -0.109 122.653 122.820 -0.097 0.000 2.021 63 A HA 0.073 4.392 4.320 -0.002 0.000 0.216 63 A C 1.994 179.502 177.584 -0.127 0.000 1.163 63 A CA 1.208 53.186 52.037 -0.099 0.000 0.676 63 A CB -0.097 18.847 19.000 -0.094 0.000 0.818 63 A HN 0.437 nan 8.150 nan 0.000 0.453 64 G N -2.131 106.554 108.800 -0.193 0.000 3.126 64 G HA2 0.406 4.365 3.960 -0.002 0.000 0.224 64 G HA3 0.406 4.365 3.960 -0.002 0.000 0.224 64 G C 0.731 175.542 174.900 -0.149 0.000 1.142 64 G CA 0.560 45.526 45.100 -0.223 0.000 0.759 64 G HN 1.454 nan 8.290 nan 0.000 0.550 65 A N 0.330 123.087 122.820 -0.106 0.000 2.519 65 A HA -0.067 4.252 4.320 -0.002 0.000 0.297 65 A C 0.691 178.244 177.584 -0.052 0.000 1.472 65 A CA 1.716 53.715 52.037 -0.063 0.000 0.739 65 A CB -2.019 16.953 19.000 -0.048 0.000 1.096 65 A HN 0.982 nan 8.150 nan 0.000 0.414 66 K N -1.619 118.752 120.400 -0.047 0.000 2.454 66 K HA 0.806 5.125 4.320 -0.002 0.000 0.279 66 K C -0.640 175.989 176.600 0.048 0.000 1.020 66 K CA -1.036 55.247 56.287 -0.006 0.000 0.850 66 K CB 0.614 33.102 32.500 -0.021 0.000 1.529 66 K HN 0.812 nan 8.250 nan 0.000 0.390 67 L N 1.147 122.426 121.223 0.094 0.000 2.380 67 L HA 0.462 4.801 4.340 -0.002 0.000 0.273 67 L C -0.040 176.954 176.870 0.206 0.000 1.138 67 L CA 0.675 55.584 54.840 0.115 0.000 0.832 67 L CB 1.133 43.246 42.059 0.091 0.000 1.124 67 L HN 0.767 nan 8.230 nan 0.000 0.454 68 G N 4.150 113.039 108.800 0.149 0.000 2.389 68 G HA2 0.603 4.562 3.960 -0.002 0.000 0.328 68 G HA3 0.603 4.562 3.960 -0.002 0.000 0.328 68 G C -1.565 173.333 174.900 -0.003 0.000 1.133 68 G CA -0.491 44.691 45.100 0.137 0.000 0.891 68 G HN 0.560 nan 8.290 nan 0.000 0.485 69 V N 0.840 120.746 119.914 -0.013 0.000 2.525 69 V HA 0.711 4.830 4.120 -0.002 0.000 0.299 69 V C 0.194 176.246 176.094 -0.070 0.000 1.034 69 V CA -0.803 61.454 62.300 -0.071 0.000 0.863 69 V CB 1.138 32.931 31.823 -0.050 0.000 0.999 69 V HN 1.132 nan 8.190 nan 0.000 0.423 70 A N 5.362 128.069 122.820 -0.188 0.000 2.337 70 A HA 0.930 5.249 4.320 -0.002 0.000 0.329 70 A C -1.037 176.534 177.584 -0.022 0.000 1.146 70 A CA -0.622 51.342 52.037 -0.121 0.000 0.800 70 A CB 1.514 20.335 19.000 -0.299 0.000 1.220 70 A HN 0.815 nan 8.150 nan 0.000 0.472 71 L N 3.567 124.809 121.223 0.032 0.000 2.404 71 L HA 0.669 5.008 4.340 -0.002 0.000 0.272 71 L C -1.060 175.870 176.870 0.101 0.000 0.980 71 L CA -0.692 54.177 54.840 0.049 0.000 0.836 71 L CB 1.593 43.637 42.059 -0.025 0.000 1.238 71 L HN 0.771 nan 8.230 nan 0.000 0.408 72 V N 0.584 120.565 119.914 0.112 0.000 3.078 72 V HA 0.638 4.757 4.120 -0.002 0.000 0.311 72 V C -0.267 175.861 176.094 0.056 0.000 1.138 72 V CA -0.520 61.839 62.300 0.099 0.000 1.007 72 V CB 1.906 33.798 31.823 0.115 0.000 1.045 72 V HN 0.680 nan 8.190 nan 0.000 0.432 73 T N 1.291 115.846 114.554 0.001 0.000 2.810 73 T HA 0.719 5.068 4.350 -0.002 0.000 0.277 73 T C 0.510 175.141 174.700 -0.117 0.000 0.973 73 T CA 0.343 62.392 62.100 -0.085 0.000 0.949 73 T CB 1.115 69.892 68.868 -0.152 0.000 1.075 73 T HN 1.724 nan 8.240 nan 0.000 0.537 74 A N 0.413 123.061 122.820 -0.287 0.000 2.425 74 A HA 0.559 4.878 4.320 -0.002 0.000 0.242 74 A C 1.433 178.891 177.584 -0.209 0.000 1.077 74 A CA 0.453 52.309 52.037 -0.302 0.000 0.781 74 A CB -1.112 17.546 19.000 -0.570 0.000 1.020 74 A HN 1.771 nan 8.150 nan 0.000 0.494 75 G N 1.318 110.055 108.800 -0.104 0.000 2.595 75 G HA2 -0.148 3.811 3.960 -0.002 0.000 0.297 75 G HA3 -0.148 3.811 3.960 -0.002 0.000 0.297 75 G C 1.480 176.395 174.900 0.026 0.000 1.181 75 G CA 1.049 46.125 45.100 -0.041 0.000 0.963 75 G HN 1.983 nan 8.290 nan 0.000 0.541 76 G N 0.978 109.763 108.800 -0.025 0.000 2.471 76 G HA2 0.288 4.247 3.960 -0.002 0.000 0.219 76 G HA3 0.288 4.247 3.960 -0.002 0.000 0.219 76 G C 1.815 176.694 174.900 -0.035 0.000 1.125 76 G CA 1.955 47.038 45.100 -0.028 0.000 0.775 76 G HN 1.705 nan 8.290 nan 0.000 0.548 77 G N 0.856 109.638 108.800 -0.030 0.000 2.459 77 G HA2 -0.245 3.714 3.960 -0.002 0.000 0.217 77 G HA3 -0.245 3.714 3.960 -0.002 0.000 0.217 77 G C 1.572 176.490 174.900 0.030 0.000 1.183 77 G CA 1.026 46.119 45.100 -0.012 0.000 0.776 77 G HN 0.388 nan 8.290 nan 0.000 0.552 78 F N 2.632 122.541 119.950 -0.068 0.000 2.075 78 F HA -0.136 4.390 4.527 -0.002 0.000 0.297 78 F C 3.065 178.826 175.800 -0.065 0.000 1.113 78 F CA 2.604 60.566 58.000 -0.063 0.000 1.218 78 F CB -0.788 38.163 39.000 -0.081 0.000 0.984 78 F HN 0.227 nan 8.300 nan 0.000 0.472 79 T N -1.381 113.035 114.554 -0.230 0.000 2.833 79 T HA -0.200 4.149 4.350 -0.002 0.000 0.269 79 T C 1.688 176.227 174.700 -0.268 0.000 1.054 79 T CA 1.531 63.436 62.100 -0.326 0.000 1.135 79 T CB -0.791 68.034 68.868 -0.071 0.000 0.869 79 T HN 0.279 nan 8.240 nan 0.000 0.466 80 N N 1.935 120.544 118.700 -0.151 0.000 2.520 80 N HA 0.162 4.901 4.740 -0.002 0.000 0.185 80 N C 1.621 177.082 175.510 -0.082 0.000 1.068 80 N CA 0.958 53.980 53.050 -0.045 0.000 0.911 80 N CB -0.334 38.154 38.487 0.002 0.000 0.961 80 N HN 0.711 nan 8.380 nan 0.000 0.446 81 A N -0.451 122.231 122.820 -0.230 0.000 2.308 81 A HA 0.175 4.494 4.320 -0.002 0.000 0.217 81 A C 2.059 179.420 177.584 -0.372 0.000 1.216 81 A CA -0.073 51.825 52.037 -0.230 0.000 0.864 81 A CB 0.133 19.046 19.000 -0.144 0.000 0.902 81 A HN 0.040 nan 8.150 nan 0.000 0.499 82 V N -0.225 119.437 119.914 -0.421 0.000 2.453 82 V HA -0.179 3.940 4.120 -0.002 0.000 0.247 82 V C 2.712 178.657 176.094 -0.248 0.000 1.048 82 V CA 2.547 64.599 62.300 -0.413 0.000 1.049 82 V CB -0.811 30.776 31.823 -0.393 0.000 0.672 82 V HN 0.591 nan 8.190 nan 0.000 0.457 83 T N 0.386 114.842 114.554 -0.163 0.000 2.652 83 T HA -0.123 4.226 4.350 -0.002 0.000 0.267 83 T C -0.052 174.639 174.700 -0.015 0.000 1.039 83 T CA 1.953 64.018 62.100 -0.059 0.000 1.153 83 T CB -1.292 67.580 68.868 0.007 0.000 0.863 83 T HN 0.423 nan 8.240 nan 0.000 0.428 84 P HA -0.075 nan 4.420 nan 0.000 0.216 84 P C 1.522 178.846 177.300 0.040 0.000 1.157 84 P CA 1.102 64.146 63.100 -0.092 0.000 0.880 84 P CB -0.258 31.316 31.700 -0.211 0.000 0.791 85 I N -0.753 119.664 120.570 -0.256 0.000 2.163 85 I HA -0.298 3.871 4.170 -0.002 0.000 0.243 85 I C 2.380 178.475 176.117 -0.037 0.000 1.085 85 I CA 1.787 62.866 61.300 -0.368 0.000 1.347 85 I CB -1.020 36.580 38.000 -0.667 0.000 1.044 85 I HN -0.077 nan 8.210 nan 0.000 0.408 86 A N 0.602 123.406 122.820 -0.027 0.000 1.902 86 A HA -0.264 4.055 4.320 -0.002 0.000 0.217 86 A C 2.201 179.899 177.584 0.189 0.000 1.181 86 A CA 2.090 54.184 52.037 0.095 0.000 0.623 86 A CB -1.007 18.018 19.000 0.042 0.000 0.818 86 A HN 0.534 nan 8.150 nan 0.000 0.443 87 N N 0.109 118.897 118.700 0.147 0.000 2.084 87 N HA -0.164 4.575 4.740 -0.002 0.000 0.190 87 N C 1.974 177.572 175.510 0.147 0.000 1.030 87 N CA 1.428 54.565 53.050 0.144 0.000 0.849 87 N CB -0.200 38.386 38.487 0.166 0.000 1.012 87 N HN 0.397 nan 8.380 nan 0.000 0.423 88 A N 1.424 124.359 122.820 0.192 0.000 1.972 88 A HA -0.181 4.138 4.320 -0.002 0.000 0.219 88 A C 2.005 179.717 177.584 0.212 0.000 1.169 88 A CA 1.011 53.166 52.037 0.196 0.000 0.635 88 A CB -1.238 17.930 19.000 0.281 0.000 0.810 88 A HN 0.743 nan 8.150 nan 0.000 0.446 89 W N 0.629 121.965 121.300 0.059 0.000 2.354 89 W HA -0.171 4.488 4.660 -0.002 0.000 0.315 89 W C 1.417 177.962 176.519 0.044 0.000 1.206 89 W CA 1.708 59.084 57.345 0.052 0.000 1.290 89 W CB -0.295 29.188 29.460 0.039 0.000 1.152 89 W HN 0.299 nan 8.180 nan 0.000 0.489 90 L N 0.537 121.742 121.223 -0.031 0.000 2.313 90 L HA -0.131 4.208 4.340 -0.002 0.000 0.214 90 L C 1.489 178.231 176.870 -0.214 0.000 1.119 90 L CA 1.015 55.764 54.840 -0.151 0.000 0.809 90 L CB -0.742 41.354 42.059 0.061 0.000 0.933 90 L HN -0.201 nan 8.230 nan 0.000 0.449 91 D N 0.264 120.585 120.400 -0.132 0.000 2.349 91 D HA 0.028 4.667 4.640 -0.002 0.000 0.215 91 D C 0.270 176.489 176.300 -0.135 0.000 1.016 91 D CA 0.063 53.971 54.000 -0.154 0.000 0.870 91 D CB 0.140 40.892 40.800 -0.080 0.000 0.917 91 D HN 0.028 nan 8.370 nan 0.000 0.524 92 R N 0.171 120.595 120.500 -0.126 0.000 3.205 92 R HA -0.149 4.190 4.340 -0.002 0.000 0.249 92 R C -0.214 176.069 176.300 -0.029 0.000 0.937 92 R CA 0.801 56.846 56.100 -0.092 0.000 0.641 92 R CB -2.586 27.640 30.300 -0.124 0.000 1.114 92 R HN 0.187 nan 8.270 nan 0.000 0.451 93 T N -0.561 114.006 114.554 0.021 0.000 2.807 93 T HA 0.576 4.925 4.350 -0.002 0.000 0.279 93 T C -2.646 172.104 174.700 0.082 0.000 0.993 93 T CA -2.380 59.742 62.100 0.038 0.000 0.970 93 T CB 1.849 70.732 68.868 0.024 0.000 0.950 93 T HN -0.027 nan 8.240 nan 0.000 0.441 94 P HA 0.396 nan 4.420 nan 0.000 0.274 94 P C -1.017 176.326 177.300 0.072 0.000 1.470 94 P CA -0.377 62.773 63.100 0.082 0.000 1.001 94 P CB 0.539 32.275 31.700 0.060 0.000 1.332 95 V N 5.122 125.090 119.914 0.090 0.000 2.588 95 V HA 0.291 4.410 4.120 -0.002 0.000 0.304 95 V C 0.261 176.362 176.094 0.011 0.000 1.042 95 V CA -0.888 61.395 62.300 -0.029 0.000 0.877 95 V CB 2.734 34.438 31.823 -0.198 0.000 0.996 95 V HN 0.421 nan 8.190 nan 0.000 0.425 96 L N 5.070 126.263 121.223 -0.051 0.000 2.261 96 L HA 0.519 4.858 4.340 -0.002 0.000 0.289 96 L C -1.174 175.646 176.870 -0.084 0.000 1.059 96 L CA -0.198 54.659 54.840 0.029 0.000 0.816 96 L CB 0.502 42.587 42.059 0.044 0.000 1.191 96 L HN 0.551 nan 8.230 nan 0.000 0.431 97 F N 5.687 125.681 119.950 0.073 0.000 2.371 97 F HA 0.341 4.867 4.527 -0.002 0.000 0.363 97 F C 0.124 175.960 175.800 0.061 0.000 1.122 97 F CA -0.368 57.671 58.000 0.065 0.000 1.129 97 F CB 0.938 39.980 39.000 0.070 0.000 1.173 97 F HN 0.261 nan 8.300 nan 0.000 0.489 98 L N 3.543 124.870 121.223 0.172 0.000 2.272 98 L HA 0.522 4.861 4.340 -0.002 0.000 0.289 98 L C 0.212 177.162 176.870 0.132 0.000 1.032 98 L CA -0.325 54.587 54.840 0.121 0.000 0.810 98 L CB 1.628 43.725 42.059 0.064 0.000 1.205 98 L HN 0.513 nan 8.230 nan 0.000 0.422 99 T N 1.911 116.529 114.554 0.106 0.000 2.893 99 T HA 0.659 5.008 4.350 -0.002 0.000 0.291 99 T C 0.090 174.806 174.700 0.026 0.000 1.028 99 T CA -0.369 61.785 62.100 0.090 0.000 0.995 99 T CB 1.616 70.567 68.868 0.138 0.000 1.051 99 T HN 0.686 nan 8.240 nan 0.000 0.470 100 G N 1.770 110.573 108.800 0.005 0.000 2.580 100 G HA2 0.616 4.575 3.960 -0.002 0.000 0.278 100 G HA3 0.616 4.575 3.960 -0.002 0.000 0.278 100 G C -0.436 174.422 174.900 -0.070 0.000 1.212 100 G CA -0.046 45.042 45.100 -0.019 0.000 0.939 100 G HN 1.277 nan 8.290 nan 0.000 0.513 101 S N -1.825 113.854 115.700 -0.034 0.000 2.611 101 S HA 0.668 5.137 4.470 -0.002 0.000 0.268 101 S C 0.011 174.659 174.600 0.079 0.000 1.156 101 S CA -0.237 57.929 58.200 -0.056 0.000 0.817 101 S CB 0.900 64.047 63.200 -0.089 0.000 1.122 101 S HN 1.495 nan 8.310 nan 0.000 0.466 102 G N 0.344 109.184 108.800 0.067 0.000 2.484 102 G HA2 0.501 4.460 3.960 -0.002 0.000 0.235 102 G HA3 0.501 4.460 3.960 -0.002 0.000 0.235 102 G C 0.490 175.504 174.900 0.190 0.000 1.282 102 G CA -0.167 45.046 45.100 0.187 0.000 0.857 102 G HN 1.434 nan 8.290 nan 0.000 0.571 103 A N 1.482 124.450 122.820 0.246 0.000 2.498 103 A HA 0.276 4.595 4.320 -0.002 0.000 0.239 103 A C 1.596 179.218 177.584 0.063 0.000 1.068 103 A CA -0.283 51.838 52.037 0.141 0.000 0.766 103 A CB 0.189 19.231 19.000 0.071 0.000 1.003 103 A HN 0.726 nan 8.150 nan 0.000 0.497 104 L N 2.146 123.388 121.223 0.033 0.000 2.017 104 L HA -0.106 4.233 4.340 -0.002 0.000 0.208 104 L C 1.897 178.767 176.870 -0.001 0.000 1.073 104 L CA 1.347 56.192 54.840 0.009 0.000 0.745 104 L CB -0.627 41.431 42.059 -0.001 0.000 0.894 104 L HN 0.904 nan 8.230 nan 0.000 0.432 105 R N 1.340 121.833 120.500 -0.013 0.000 2.784 105 R HA -0.041 4.298 4.340 -0.002 0.000 0.266 105 R C 0.316 176.609 176.300 -0.011 0.000 1.044 105 R CA 0.367 56.455 56.100 -0.021 0.000 1.151 105 R CB -0.223 30.053 30.300 -0.041 0.000 1.037 105 R HN 0.383 nan 8.270 nan 0.000 0.478 106 D N -1.871 118.523 120.400 -0.011 0.000 2.931 106 D HA -0.282 4.357 4.640 -0.002 0.000 0.228 106 D C -0.676 175.634 176.300 0.017 0.000 1.180 106 D CA 1.613 55.614 54.000 0.002 0.000 0.784 106 D CB -1.529 39.271 40.800 0.001 0.000 1.093 106 D HN 0.820 nan 8.370 nan 0.000 0.421 107 D N -0.002 120.405 120.400 0.011 0.000 2.548 107 D HA 0.211 4.850 4.640 -0.002 0.000 0.231 107 D C 0.667 176.970 176.300 0.006 0.000 1.142 107 D CA 1.351 55.356 54.000 0.009 0.000 0.866 107 D CB 0.370 41.169 40.800 -0.001 0.000 1.190 107 D HN 0.372 nan 8.370 nan 0.000 0.469 108 E N 1.111 121.314 120.200 0.005 0.000 2.416 108 E HA -0.210 4.139 4.350 -0.002 0.000 0.249 108 E C -0.023 176.580 176.600 0.006 0.000 1.124 108 E CA 1.291 57.692 56.400 0.002 0.000 0.732 108 E CB -1.563 28.135 29.700 -0.003 0.000 1.286 108 E HN 0.484 nan 8.360 nan 0.000 0.394 109 T N -2.768 111.793 114.554 0.012 0.000 3.182 109 T HA 0.224 4.573 4.350 -0.002 0.000 0.277 109 T C 0.463 175.173 174.700 0.018 0.000 1.013 109 T CA 0.096 62.204 62.100 0.014 0.000 0.900 109 T CB 0.118 68.996 68.868 0.017 0.000 1.098 109 T HN 0.180 nan 8.240 nan 0.000 0.543 110 N N 1.215 119.924 118.700 0.016 0.000 2.727 110 N HA -0.127 4.612 4.740 -0.002 0.000 0.249 110 N C -0.170 175.356 175.510 0.026 0.000 1.048 110 N CA 1.243 54.303 53.050 0.016 0.000 0.714 110 N CB -1.677 36.817 38.487 0.012 0.000 0.959 110 N HN 0.640 nan 8.380 nan 0.000 0.544 111 T N -0.348 114.229 114.554 0.039 0.000 2.923 111 T HA 0.517 4.866 4.350 -0.002 0.000 0.281 111 T C 0.270 175.008 174.700 0.064 0.000 0.995 111 T CA -0.779 61.356 62.100 0.058 0.000 0.985 111 T CB 0.969 69.885 68.868 0.081 0.000 1.114 111 T HN 0.193 nan 8.240 nan 0.000 0.548 112 L N 3.063 124.337 121.223 0.085 0.000 2.628 112 L HA 0.092 4.431 4.340 -0.002 0.000 0.274 112 L C 1.038 177.944 176.870 0.060 0.000 1.209 112 L CA 1.272 56.158 54.840 0.076 0.000 0.930 112 L CB -0.552 41.569 42.059 0.104 0.000 1.183 112 L HN 0.938 nan 8.230 nan 0.000 0.492 113 Q N 1.283 121.079 119.800 -0.007 0.000 2.362 113 Q HA -0.272 4.067 4.340 -0.002 0.000 0.220 113 Q C 0.216 176.169 176.000 -0.078 0.000 0.713 113 Q CA 1.063 56.816 55.803 -0.084 0.000 1.345 113 Q CB -1.759 26.843 28.738 -0.227 0.000 1.570 113 Q HN 0.868 nan 8.270 nan 0.000 0.701 114 A N -0.715 122.097 122.820 -0.013 0.000 2.256 114 A HA 0.752 5.071 4.320 -0.002 0.000 0.318 114 A C 1.372 178.945 177.584 -0.018 0.000 1.103 114 A CA 0.601 52.635 52.037 -0.006 0.000 0.860 114 A CB 0.893 19.917 19.000 0.040 0.000 1.182 114 A HN 0.829 nan 8.150 nan 0.000 0.501 115 G N -1.180 107.604 108.800 -0.026 0.000 2.232 115 G HA2 -0.127 3.832 3.960 -0.002 0.000 0.226 115 G HA3 -0.127 3.832 3.960 -0.002 0.000 0.226 115 G C 0.281 175.158 174.900 -0.039 0.000 0.996 115 G CA 0.139 45.223 45.100 -0.027 0.000 0.626 115 G HN 1.821 nan 8.290 nan 0.000 0.509 116 I N -0.122 120.417 120.570 -0.052 0.000 2.353 116 I HA 0.614 4.783 4.170 -0.002 0.000 0.293 116 I C -0.867 175.186 176.117 -0.107 0.000 0.992 116 I CA -0.770 60.496 61.300 -0.056 0.000 1.268 116 I CB 1.520 39.509 38.000 -0.020 0.000 1.387 116 I HN -0.047 nan 8.210 nan 0.000 0.478 117 D N 5.991 126.333 120.400 -0.098 0.000 2.498 117 D HA 0.070 4.709 4.640 -0.002 0.000 0.229 117 D C 1.039 177.217 176.300 -0.204 0.000 1.188 117 D CA 0.162 54.080 54.000 -0.136 0.000 1.028 117 D CB 0.595 41.338 40.800 -0.096 0.000 1.087 117 D HN 0.608 nan 8.370 nan 0.000 0.510 118 Q N 1.169 120.751 119.800 -0.363 0.000 2.119 118 Q HA -0.094 4.245 4.340 -0.002 0.000 0.201 118 Q C 2.039 177.703 176.000 -0.560 0.000 0.972 118 Q CA 0.919 56.273 55.803 -0.748 0.000 0.847 118 Q CB 0.291 28.268 28.738 -1.268 0.000 0.903 118 Q HN 0.356 nan 8.270 nan 0.000 0.433 119 V N 1.216 120.902 119.914 -0.379 0.000 2.343 119 V HA -0.288 3.831 4.120 -0.002 0.000 0.247 119 V C 2.326 178.316 176.094 -0.174 0.000 1.051 119 V CA 1.852 63.992 62.300 -0.267 0.000 1.036 119 V CB -1.018 30.649 31.823 -0.260 0.000 0.654 119 V HN 0.407 nan 8.190 nan 0.000 0.451 120 A N -0.591 122.142 122.820 -0.144 0.000 1.933 120 A HA -0.246 4.073 4.320 -0.002 0.000 0.218 120 A C 2.252 179.797 177.584 -0.064 0.000 1.175 120 A CA 2.212 54.193 52.037 -0.093 0.000 0.628 120 A CB -0.504 18.451 19.000 -0.075 0.000 0.814 120 A HN 0.499 nan 8.150 nan 0.000 0.444 121 M N -0.819 118.761 119.600 -0.033 0.000 2.159 121 M HA -0.164 4.315 4.480 -0.002 0.000 0.263 121 M C 2.325 178.643 176.300 0.029 0.000 1.063 121 M CA 1.554 56.880 55.300 0.044 0.000 1.110 121 M CB -0.309 32.408 32.600 0.196 0.000 1.374 121 M HN 0.500 nan 8.290 nan 0.000 0.411 122 A N -0.352 122.486 122.820 0.030 0.000 2.147 122 A HA 0.315 4.634 4.320 -0.002 0.000 0.211 122 A C 2.283 179.777 177.584 -0.151 0.000 1.160 122 A CA 0.909 52.923 52.037 -0.039 0.000 0.781 122 A CB -0.508 18.508 19.000 0.026 0.000 0.842 122 A HN 0.426 nan 8.150 nan 0.000 0.475 123 A N 1.344 124.082 122.820 -0.137 0.000 1.903 123 A HA -0.123 4.196 4.320 -0.002 0.000 0.219 123 A C 0.071 177.515 177.584 -0.233 0.000 1.191 123 A CA 2.112 54.057 52.037 -0.153 0.000 0.638 123 A CB -1.720 17.219 19.000 -0.102 0.000 0.823 123 A HN 0.469 nan 8.150 nan 0.000 0.451 124 P HA 0.046 nan 4.420 nan 0.000 0.237 124 P C 0.602 177.513 177.300 -0.650 0.000 1.178 124 P CA 0.761 63.680 63.100 -0.302 0.000 0.766 124 P CB -0.124 31.471 31.700 -0.175 0.000 0.876 125 I N -4.750 115.357 120.570 -0.773 0.000 3.597 125 I HA 0.353 4.522 4.170 -0.002 0.000 0.323 125 I C -0.551 175.027 176.117 -0.899 0.000 1.535 125 I CA -0.552 60.021 61.300 -1.212 0.000 1.028 125 I CB 0.321 37.984 38.000 -0.561 0.000 1.354 125 I HN -0.259 nan 8.210 nan 0.000 0.544 126 T N -3.378 110.721 114.554 -0.757 0.000 2.896 126 T HA 0.473 4.822 4.350 -0.002 0.000 0.297 126 T C 0.350 175.032 174.700 -0.032 0.000 1.108 126 T CA -0.781 61.194 62.100 -0.209 0.000 1.004 126 T CB 2.722 71.550 68.868 -0.067 0.000 1.159 126 T HN 0.100 nan 8.240 nan 0.000 0.499 127 K N -0.621 119.958 120.400 0.299 0.000 2.167 127 K HA 0.129 4.448 4.320 -0.002 0.000 0.203 127 K C -0.213 176.596 176.600 0.348 0.000 1.052 127 K CA 0.731 57.236 56.287 0.363 0.000 0.956 127 K CB 0.164 32.871 32.500 0.344 0.000 0.735 127 K HN 0.619 nan 8.250 nan 0.000 0.451 128 W N -0.664 120.685 121.300 0.082 0.000 3.296 128 W HA 0.492 5.151 4.660 -0.002 0.000 0.314 128 W C -2.146 174.408 176.519 0.059 0.000 1.238 128 W CA -0.888 56.492 57.345 0.059 0.000 1.193 128 W CB 1.523 31.019 29.460 0.061 0.000 1.383 128 W HN -0.159 nan 8.180 nan 0.000 0.545 129 A N 3.800 126.298 122.820 -0.536 0.000 2.465 129 A HA 0.649 4.968 4.320 -0.002 0.000 0.292 129 A C -2.248 174.927 177.584 -0.682 0.000 1.041 129 A CA -0.367 51.358 52.037 -0.519 0.000 0.718 129 A CB 1.357 20.207 19.000 -0.249 0.000 1.266 129 A HN 0.880 nan 8.150 nan 0.000 0.403 130 H N 0.354 118.949 119.070 -0.792 0.000 3.046 130 H HA 0.672 5.227 4.556 -0.002 0.000 0.361 130 H C -0.852 174.267 175.328 -0.348 0.000 1.235 130 H CA -0.413 55.261 56.048 -0.624 0.000 1.146 130 H CB 1.447 30.654 29.762 -0.926 0.000 1.859 130 H HN 0.744 nan 8.280 nan 0.000 0.548 131 R N 3.496 123.591 120.500 -0.676 0.000 2.343 131 R HA 0.484 4.823 4.340 -0.002 0.000 0.320 131 R C -1.139 175.035 176.300 -0.211 0.000 0.956 131 R CA -0.819 55.067 56.100 -0.357 0.000 0.836 131 R CB 0.998 31.109 30.300 -0.314 0.000 1.151 131 R HN 0.393 nan 8.270 nan 0.000 0.450 132 V N 6.346 126.250 119.914 -0.017 0.000 2.572 132 V HA 0.024 4.143 4.120 -0.002 0.000 0.291 132 V C 1.167 177.304 176.094 0.073 0.000 1.039 132 V CA 0.126 62.490 62.300 0.107 0.000 1.055 132 V CB 1.416 33.312 31.823 0.120 0.000 0.969 132 V HN 0.870 nan 8.190 nan 0.000 0.482 133 M N 3.155 122.839 119.600 0.140 0.000 2.461 133 M HA 0.374 4.853 4.480 -0.002 0.000 0.255 133 M C 0.510 176.817 176.300 0.012 0.000 1.137 133 M CA 0.496 55.847 55.300 0.085 0.000 1.086 133 M CB 0.397 33.076 32.600 0.132 0.000 1.356 133 M HN 0.736 nan 8.290 nan 0.000 0.487 134 A N -0.485 122.296 122.820 -0.065 0.000 2.488 134 A HA 0.552 4.871 4.320 -0.002 0.000 0.298 134 A C 0.764 178.220 177.584 -0.214 0.000 1.044 134 A CA -0.456 51.422 52.037 -0.264 0.000 0.693 134 A CB 0.651 19.289 19.000 -0.604 0.000 1.272 134 A HN 0.166 nan 8.150 nan 0.000 0.402 135 T N 0.942 115.420 114.554 -0.126 0.000 2.720 135 T HA -0.146 4.203 4.350 -0.002 0.000 0.268 135 T C 1.474 176.145 174.700 -0.047 0.000 1.037 135 T CA 2.438 64.505 62.100 -0.054 0.000 1.144 135 T CB -0.186 68.663 68.868 -0.033 0.000 0.864 135 T HN 0.779 nan 8.240 nan 0.000 0.444 136 E N 0.584 120.720 120.200 -0.106 0.000 2.219 136 E HA -0.137 4.212 4.350 -0.002 0.000 0.198 136 E C 1.741 178.391 176.600 0.083 0.000 0.998 136 E CA 1.144 57.521 56.400 -0.037 0.000 0.818 136 E CB -0.354 29.312 29.700 -0.057 0.000 0.741 136 E HN 0.734 nan 8.360 nan 0.000 0.477 137 H N -1.000 118.098 119.070 0.047 0.000 2.548 137 H HA 0.151 4.706 4.556 -0.002 0.000 0.268 137 H C 1.744 177.111 175.328 0.064 0.000 0.975 137 H CA -0.080 56.002 56.048 0.058 0.000 1.195 137 H CB 0.186 29.994 29.762 0.076 0.000 1.397 137 H HN 0.097 nan 8.280 nan 0.000 0.572 138 I N 1.369 122.036 120.570 0.162 0.000 2.118 138 I HA -0.236 3.933 4.170 -0.002 0.000 0.241 138 I C -0.613 175.565 176.117 0.101 0.000 1.070 138 I CA 1.385 62.757 61.300 0.119 0.000 1.327 138 I CB -0.938 37.110 38.000 0.079 0.000 1.034 138 I HN 0.230 nan 8.210 nan 0.000 0.405 139 P HA -0.192 nan 4.420 nan 0.000 0.215 139 P C 1.296 178.633 177.300 0.062 0.000 1.157 139 P CA 1.590 64.726 63.100 0.060 0.000 0.868 139 P CB -0.227 31.500 31.700 0.046 0.000 0.788 140 R N -0.796 119.745 120.500 0.069 0.000 2.120 140 R HA -0.062 4.277 4.340 -0.002 0.000 0.234 140 R C 1.664 177.999 176.300 0.058 0.000 1.123 140 R CA 1.334 57.462 56.100 0.047 0.000 0.975 140 R CB -1.400 28.916 30.300 0.027 0.000 0.866 140 R HN 0.104 nan 8.270 nan 0.000 0.446 141 L N 0.910 122.197 121.223 0.107 0.000 2.209 141 L HA 0.029 4.368 4.340 -0.002 0.000 0.207 141 L C 2.373 179.360 176.870 0.196 0.000 1.094 141 L CA 0.770 55.713 54.840 0.172 0.000 0.790 141 L CB -0.332 41.863 42.059 0.227 0.000 0.932 141 L HN 0.019 nan 8.230 nan 0.000 0.447 142 V N -0.821 119.178 119.914 0.141 0.000 2.287 142 V HA -0.342 3.777 4.120 -0.002 0.000 0.248 142 V C 2.534 178.689 176.094 0.102 0.000 1.053 142 V CA 1.846 64.219 62.300 0.121 0.000 1.027 142 V CB -0.448 31.423 31.823 0.079 0.000 0.646 142 V HN 0.357 nan 8.190 nan 0.000 0.447 143 M N -0.519 119.123 119.600 0.069 0.000 2.159 143 M HA -0.174 4.305 4.480 -0.002 0.000 0.263 143 M C 2.179 178.497 176.300 0.029 0.000 1.063 143 M CA 1.749 57.074 55.300 0.041 0.000 1.110 143 M CB -0.607 32.005 32.600 0.021 0.000 1.374 143 M HN 0.365 nan 8.290 nan 0.000 0.411 144 Q N -0.793 119.020 119.800 0.021 0.000 2.050 144 Q HA -0.180 4.159 4.340 -0.002 0.000 0.202 144 Q C 1.946 177.938 176.000 -0.012 0.000 0.980 144 Q CA 1.928 57.696 55.803 -0.058 0.000 0.840 144 Q CB -0.228 28.422 28.738 -0.147 0.000 0.898 144 Q HN 0.592 nan 8.270 nan 0.000 0.424 145 A N 0.714 123.643 122.820 0.182 0.000 1.917 145 A HA -0.211 4.108 4.320 -0.002 0.000 0.219 145 A C 1.983 179.675 177.584 0.180 0.000 1.182 145 A CA 1.542 53.771 52.037 0.319 0.000 0.633 145 A CB -0.732 18.497 19.000 0.380 0.000 0.819 145 A HN 0.500 nan 8.150 nan 0.000 0.448 146 I N -1.052 119.587 120.570 0.115 0.000 2.202 146 I HA -0.265 3.904 4.170 -0.002 0.000 0.242 146 I C 2.778 178.928 176.117 0.055 0.000 1.091 146 I CA 1.359 62.707 61.300 0.080 0.000 1.368 146 I CB -0.333 37.700 38.000 0.056 0.000 1.058 146 I HN 0.294 nan 8.210 nan 0.000 0.410 147 R N 0.687 121.202 120.500 0.025 0.000 2.091 147 R HA -0.179 4.160 4.340 -0.002 0.000 0.238 147 R C 2.416 178.718 176.300 0.004 0.000 1.136 147 R CA 1.568 57.667 56.100 -0.001 0.000 0.959 147 R CB -0.539 29.741 30.300 -0.033 0.000 0.856 147 R HN 0.389 nan 8.270 nan 0.000 0.437 148 A N 1.258 124.083 122.820 0.009 0.000 1.902 148 A HA -0.100 4.220 4.320 -0.002 0.000 0.217 148 A C 2.388 180.027 177.584 0.091 0.000 1.181 148 A CA 1.644 53.702 52.037 0.035 0.000 0.623 148 A CB -0.589 18.442 19.000 0.052 0.000 0.818 148 A HN 0.399 nan 8.150 nan 0.000 0.443 149 A N -0.475 122.415 122.820 0.116 0.000 1.933 149 A HA 0.004 4.323 4.320 -0.002 0.000 0.218 149 A C 2.084 179.717 177.584 0.081 0.000 1.175 149 A CA 1.476 53.587 52.037 0.123 0.000 0.628 149 A CB -0.491 18.587 19.000 0.131 0.000 0.814 149 A HN 0.464 nan 8.150 nan 0.000 0.444 150 L N 0.396 121.653 121.223 0.056 0.000 2.418 150 L HA 0.022 4.361 4.340 -0.002 0.000 0.218 150 L C 1.288 178.171 176.870 0.022 0.000 1.125 150 L CA 0.376 55.236 54.840 0.035 0.000 0.835 150 L CB -0.236 41.838 42.059 0.024 0.000 0.953 150 L HN 0.483 nan 8.230 nan 0.000 0.454 151 S N -0.031 115.683 115.700 0.022 0.000 2.652 151 S HA 0.614 5.083 4.470 -0.002 0.000 0.270 151 S C 0.105 174.714 174.600 0.015 0.000 1.243 151 S CA -0.776 57.431 58.200 0.012 0.000 0.999 151 S CB 1.794 64.997 63.200 0.005 0.000 0.973 151 S HN 0.097 nan 8.310 nan 0.000 0.544 152 A N 2.414 125.238 122.820 0.007 0.000 2.409 152 A HA 0.602 4.921 4.320 -0.002 0.000 0.262 152 A C -2.074 175.513 177.584 0.004 0.000 1.113 152 A CA -1.434 50.605 52.037 0.002 0.000 0.790 152 A CB -0.673 18.325 19.000 -0.003 0.000 1.046 152 A HN 0.742 nan 8.150 nan 0.000 0.496 153 P HA 0.403 nan 4.420 nan 0.000 0.284 153 P C -0.491 176.809 177.300 0.001 0.000 1.253 153 P CA -0.575 62.515 63.100 -0.016 0.000 0.800 153 P CB 0.761 32.434 31.700 -0.046 0.000 0.961 154 R N 0.750 121.250 120.500 0.001 0.000 2.734 154 R HA 0.581 4.920 4.340 -0.002 0.000 0.266 154 R C 1.019 177.347 176.300 0.047 0.000 1.044 154 R CA 1.096 57.212 56.100 0.028 0.000 1.128 154 R CB -0.245 30.066 30.300 0.018 0.000 1.010 154 R HN 0.866 nan 8.270 nan 0.000 0.461 155 G N 1.380 110.243 108.800 0.106 0.000 2.441 155 G HA2 0.383 4.342 3.960 -0.002 0.000 0.294 155 G HA3 0.383 4.342 3.960 -0.002 0.000 0.294 155 G C -3.036 172.010 174.900 0.244 0.000 1.393 155 G CA -0.999 44.208 45.100 0.178 0.000 0.796 155 G HN 0.437 nan 8.290 nan 0.000 0.494 156 P HA 0.611 nan 4.420 nan 0.000 0.281 156 P C -0.787 176.712 177.300 0.331 0.000 1.249 156 P CA -0.503 62.820 63.100 0.372 0.000 0.810 156 P CB 2.135 34.091 31.700 0.426 0.000 1.008 157 V N 2.534 122.657 119.914 0.348 0.000 2.925 157 V HA 0.399 4.518 4.120 -0.002 0.000 0.311 157 V C -0.374 175.880 176.094 0.266 0.000 1.104 157 V CA -0.764 61.709 62.300 0.289 0.000 0.954 157 V CB 2.223 34.236 31.823 0.315 0.000 1.022 157 V HN 0.415 nan 8.190 nan 0.000 0.427 158 L N 4.485 125.781 121.223 0.121 0.000 2.349 158 L HA 0.627 4.966 4.340 -0.002 0.000 0.278 158 L C -1.164 175.676 176.870 -0.050 0.000 0.996 158 L CA -0.085 54.799 54.840 0.073 0.000 0.825 158 L CB 1.277 43.343 42.059 0.012 0.000 1.243 158 L HN 0.598 nan 8.230 nan 0.000 0.412 159 L N 4.955 126.188 121.223 0.016 0.000 2.298 159 L HA 0.429 4.768 4.340 -0.002 0.000 0.284 159 L C -1.036 175.818 176.870 -0.027 0.000 1.013 159 L CA -0.426 54.397 54.840 -0.029 0.000 0.824 159 L CB 1.475 43.566 42.059 0.052 0.000 1.221 159 L HN 0.643 nan 8.230 nan 0.000 0.418 160 D N 6.072 126.418 120.400 -0.091 0.000 2.317 160 D HA 0.297 4.936 4.640 -0.002 0.000 0.234 160 D C -0.899 175.372 176.300 -0.049 0.000 1.112 160 D CA -0.248 53.692 54.000 -0.100 0.000 0.840 160 D CB 1.204 41.887 40.800 -0.196 0.000 1.078 160 D HN 0.355 nan 8.370 nan 0.000 0.486 161 L N 6.181 127.399 121.223 -0.008 0.000 2.337 161 L HA 0.352 4.691 4.340 -0.002 0.000 0.269 161 L C -2.201 174.704 176.870 0.059 0.000 1.018 161 L CA -1.822 53.038 54.840 0.033 0.000 0.876 161 L CB 1.718 43.810 42.059 0.055 0.000 1.236 161 L HN 0.171 nan 8.230 nan 0.000 0.436 162 P HA -0.104 nan 4.420 nan 0.000 0.266 162 P C 0.039 177.465 177.300 0.210 0.000 1.195 162 P CA -0.195 62.972 63.100 0.113 0.000 0.768 162 P CB 0.572 32.314 31.700 0.070 0.000 0.838 163 W N 3.426 124.759 121.300 0.055 0.000 2.392 163 W HA -0.149 4.510 4.660 -0.002 0.000 0.279 163 W C 1.398 177.912 176.519 -0.007 0.000 1.225 163 W CA 1.436 58.803 57.345 0.035 0.000 1.233 163 W CB -0.964 28.506 29.460 0.018 0.000 1.122 163 W HN 0.399 nan 8.180 nan 0.000 0.561 164 D N 0.182 120.642 120.400 0.100 0.000 2.137 164 D HA -0.234 4.405 4.640 -0.002 0.000 0.189 164 D C 2.136 178.433 176.300 -0.004 0.000 0.998 164 D CA 2.232 56.214 54.000 -0.029 0.000 0.839 164 D CB -0.424 40.383 40.800 0.011 0.000 0.962 164 D HN -0.022 nan 8.370 nan 0.000 0.446 165 I N 0.416 121.010 120.570 0.040 0.000 2.361 165 I HA -0.185 3.984 4.170 -0.002 0.000 0.251 165 I C 2.471 178.618 176.117 0.050 0.000 1.133 165 I CA 0.710 62.029 61.300 0.032 0.000 1.413 165 I CB -0.915 37.108 38.000 0.039 0.000 1.073 165 I HN 0.151 nan 8.210 nan 0.000 0.424 166 L N -0.779 120.502 121.223 0.097 0.000 2.095 166 L HA -0.080 4.259 4.340 -0.002 0.000 0.204 166 L C 2.515 179.442 176.870 0.095 0.000 1.080 166 L CA 0.973 55.882 54.840 0.115 0.000 0.759 166 L CB -0.306 41.857 42.059 0.174 0.000 0.914 166 L HN 0.133 nan 8.230 nan 0.000 0.439 167 M N -0.823 118.820 119.600 0.071 0.000 2.419 167 M HA -0.059 4.420 4.480 -0.002 0.000 0.264 167 M C 0.491 176.782 176.300 -0.016 0.000 1.082 167 M CA 0.280 55.589 55.300 0.015 0.000 1.119 167 M CB -0.372 32.173 32.600 -0.091 0.000 1.398 167 M HN 0.182 nan 8.290 nan 0.000 0.453 168 N N 1.751 120.438 118.700 -0.021 0.000 2.356 168 N HA -0.045 4.694 4.740 -0.002 0.000 0.252 168 N C -0.659 174.846 175.510 -0.009 0.000 1.241 168 N CA 0.717 53.752 53.050 -0.025 0.000 0.861 168 N CB 0.496 38.969 38.487 -0.024 0.000 1.075 168 N HN 0.200 nan 8.380 nan 0.000 0.461 169 Q N 2.091 121.883 119.800 -0.014 0.000 2.316 169 Q HA 0.559 4.898 4.340 -0.002 0.000 0.264 169 Q C -0.559 175.437 176.000 -0.005 0.000 0.987 169 Q CA -0.655 55.146 55.803 -0.004 0.000 0.852 169 Q CB 1.643 30.378 28.738 -0.004 0.000 1.287 169 Q HN 0.582 nan 8.270 nan 0.000 0.448 170 I N -2.450 118.121 120.570 0.001 0.000 3.145 170 I HA 0.553 4.723 4.170 -0.002 0.000 0.313 170 I C -0.759 175.361 176.117 0.006 0.000 1.122 170 I CA -1.265 60.035 61.300 0.000 0.000 0.987 170 I CB 2.033 40.032 38.000 -0.002 0.000 1.236 170 I HN 0.331 nan 8.210 nan 0.000 0.453 171 D N 2.523 122.926 120.400 0.005 0.000 2.339 171 D HA 0.025 4.664 4.640 -0.002 0.000 0.256 171 D C 1.117 177.424 176.300 0.012 0.000 1.214 171 D CA 0.039 54.043 54.000 0.008 0.000 0.877 171 D CB 1.133 41.937 40.800 0.006 0.000 1.111 171 D HN 0.757 nan 8.370 nan 0.000 0.478 172 E N 2.538 122.747 120.200 0.015 0.000 2.209 172 E HA -0.224 4.125 4.350 -0.002 0.000 0.196 172 E C 0.271 176.882 176.600 0.018 0.000 0.993 172 E CA 0.878 57.289 56.400 0.019 0.000 0.819 172 E CB 0.057 29.771 29.700 0.024 0.000 0.745 172 E HN 0.384 nan 8.360 nan 0.000 0.477 173 D N 1.066 121.475 120.400 0.015 0.000 2.347 173 D HA -0.061 4.578 4.640 -0.002 0.000 0.215 173 D C 1.667 177.975 176.300 0.014 0.000 0.976 173 D CA 1.224 55.232 54.000 0.014 0.000 0.884 173 D CB 0.278 41.085 40.800 0.011 0.000 0.915 173 D HN 0.345 nan 8.370 nan 0.000 0.526 174 S N -0.605 115.104 115.700 0.014 0.000 2.540 174 S HA 0.143 4.612 4.470 -0.002 0.000 0.218 174 S C 0.447 175.058 174.600 0.019 0.000 0.977 174 S CA -0.501 57.708 58.200 0.014 0.000 0.918 174 S CB 0.602 63.808 63.200 0.011 0.000 0.806 174 S HN 0.014 nan 8.310 nan 0.000 0.496 175 V N 1.974 121.900 119.914 0.021 0.000 2.638 175 V HA 0.726 4.845 4.120 -0.002 0.000 0.306 175 V C -0.856 175.253 176.094 0.025 0.000 1.052 175 V CA -1.375 60.941 62.300 0.027 0.000 0.885 175 V CB 1.681 33.522 31.823 0.031 0.000 0.999 175 V HN 0.488 nan 8.190 nan 0.000 0.424 176 I N 6.243 126.829 120.570 0.026 0.000 2.396 176 I HA 0.627 4.796 4.170 -0.002 0.000 0.292 176 I C -0.604 175.526 176.117 0.021 0.000 0.999 176 I CA 0.150 61.463 61.300 0.021 0.000 1.310 176 I CB 1.307 39.318 38.000 0.017 0.000 1.404 176 I HN 0.573 nan 8.210 nan 0.000 0.496 177 I N 9.011 129.591 120.570 0.016 0.000 2.312 177 I HA 0.416 4.585 4.170 -0.002 0.000 0.291 177 I C -1.947 174.175 176.117 0.009 0.000 1.031 177 I CA -1.514 59.794 61.300 0.013 0.000 1.293 177 I CB 0.352 38.355 38.000 0.006 0.000 1.403 177 I HN 0.564 nan 8.210 nan 0.000 0.484 178 P HA 0.219 nan 4.420 nan 0.000 0.276 178 P C -0.765 176.536 177.300 0.002 0.000 1.252 178 P CA -0.528 62.575 63.100 0.005 0.000 0.802 178 P CB 0.664 32.367 31.700 0.005 0.000 1.035 179 D N 0.139 120.539 120.400 -0.000 0.000 2.358 179 D HA 0.137 4.776 4.640 -0.002 0.000 0.244 179 D C -0.155 176.143 176.300 -0.004 0.000 1.163 179 D CA -0.036 53.963 54.000 -0.003 0.000 0.945 179 D CB 0.572 41.370 40.800 -0.003 0.000 1.152 179 D HN 0.165 nan 8.370 nan 0.000 0.451 180 L N 1.923 123.143 121.223 -0.005 0.000 2.312 180 L HA 0.192 4.531 4.340 -0.002 0.000 0.287 180 L C -0.974 175.890 176.870 -0.010 0.000 1.091 180 L CA -0.233 54.603 54.840 -0.006 0.000 0.846 180 L CB 0.441 42.497 42.059 -0.004 0.000 1.219 180 L HN 0.017 nan 8.230 nan 0.000 0.439 181 V N 6.952 126.859 119.914 -0.012 0.000 2.304 181 V HA 0.543 4.662 4.120 -0.002 0.000 0.278 181 V C -0.572 175.512 176.094 -0.016 0.000 1.018 181 V CA -0.484 61.808 62.300 -0.013 0.000 0.814 181 V CB 1.056 32.873 31.823 -0.010 0.000 1.021 181 V HN 0.648 nan 8.190 nan 0.000 0.440 182 L N 4.060 125.271 121.223 -0.020 0.000 2.676 182 L HA 0.535 4.874 4.340 -0.002 0.000 0.262 182 L C -0.046 176.805 176.870 -0.033 0.000 0.932 182 L CA 0.164 54.990 54.840 -0.022 0.000 0.932 182 L CB 2.220 44.266 42.059 -0.021 0.000 1.355 182 L HN 0.542 nan 8.230 nan 0.000 0.421 183 S N 3.208 118.893 115.700 -0.025 0.000 2.558 183 S HA 0.380 4.849 4.470 -0.002 0.000 0.291 183 S C 1.371 175.910 174.600 -0.101 0.000 1.306 183 S CA 0.441 58.614 58.200 -0.044 0.000 1.056 183 S CB 1.022 64.235 63.200 0.021 0.000 0.836 183 S HN 1.025 nan 8.310 nan 0.000 0.504 184 A N 4.619 127.295 122.820 -0.240 0.000 2.169 184 A HA 0.165 4.484 4.320 -0.002 0.000 0.212 184 A C 0.570 177.981 177.584 -0.289 0.000 1.153 184 A CA 0.272 52.141 52.037 -0.280 0.000 0.756 184 A CB -0.280 18.518 19.000 -0.336 0.000 0.813 184 A HN 0.914 nan 8.150 nan 0.000 0.471 185 H N 0.089 119.154 119.070 -0.008 0.000 2.517 185 H HA 0.436 4.991 4.556 -0.002 0.000 0.317 185 H C 0.687 176.008 175.328 -0.012 0.000 1.080 185 H CA -0.186 55.855 56.048 -0.011 0.000 1.301 185 H CB 0.978 30.733 29.762 -0.011 0.000 1.425 185 H HN 0.223 nan 8.280 nan 0.000 0.471 186 G N 1.133 109.988 108.800 0.092 0.000 2.572 186 G HA2 0.388 4.347 3.960 -0.002 0.000 0.261 186 G HA3 0.388 4.347 3.960 -0.002 0.000 0.261 186 G C 0.037 174.959 174.900 0.038 0.000 1.197 186 G CA -0.270 44.857 45.100 0.045 0.000 0.870 186 G HN 0.776 nan 8.290 nan 0.000 0.548 187 A N 0.604 123.435 122.820 0.019 0.000 2.386 187 A HA 0.645 4.964 4.320 -0.002 0.000 0.248 187 A C 0.786 178.368 177.584 -0.003 0.000 1.082 187 A CA -0.240 51.802 52.037 0.008 0.000 0.789 187 A CB 0.322 19.325 19.000 0.005 0.000 1.025 187 A HN 0.972 nan 8.150 nan 0.000 0.490 188 R N 1.018 121.512 120.500 -0.010 0.000 2.888 188 R HA 0.727 5.066 4.340 -0.002 0.000 0.266 188 R C -3.028 173.262 176.300 -0.018 0.000 1.020 188 R CA -1.818 54.270 56.100 -0.020 0.000 0.963 188 R CB 0.041 30.324 30.300 -0.029 0.000 1.197 188 R HN 0.396 nan 8.270 nan 0.000 0.481 189 P HA -0.035 nan 4.420 nan 0.000 0.270 189 P C -0.858 176.436 177.300 -0.011 0.000 1.223 189 P CA -0.176 62.916 63.100 -0.014 0.000 0.785 189 P CB 0.401 32.090 31.700 -0.018 0.000 0.923 190 D N 2.310 122.707 120.400 -0.005 0.000 2.488 190 D HA -0.040 4.599 4.640 -0.002 0.000 0.238 190 D C -1.174 175.126 176.300 -0.001 0.000 1.138 190 D CA -1.169 52.829 54.000 -0.003 0.000 0.873 190 D CB 0.725 41.525 40.800 0.001 0.000 1.183 190 D HN 0.163 nan 8.370 nan 0.000 0.458 191 P HA -0.161 nan 4.420 nan 0.000 0.218 191 P C 0.919 178.223 177.300 0.008 0.000 1.146 191 P CA 1.107 64.209 63.100 0.003 0.000 0.813 191 P CB 0.102 31.803 31.700 0.002 0.000 0.778 192 A N 0.295 123.119 122.820 0.007 0.000 1.930 192 A HA -0.162 4.157 4.320 -0.002 0.000 0.217 192 A C 2.033 179.625 177.584 0.013 0.000 1.175 192 A CA 1.731 53.774 52.037 0.010 0.000 0.627 192 A CB -1.072 17.932 19.000 0.007 0.000 0.815 192 A HN 0.064 nan 8.150 nan 0.000 0.443 193 D N -0.410 119.997 120.400 0.012 0.000 2.144 193 D HA -0.099 4.540 4.640 -0.002 0.000 0.200 193 D C 1.835 178.146 176.300 0.019 0.000 0.978 193 D CA 0.956 54.965 54.000 0.015 0.000 0.833 193 D CB -0.302 40.504 40.800 0.011 0.000 0.961 193 D HN 0.336 nan 8.370 nan 0.000 0.470 194 L N 1.163 122.395 121.223 0.015 0.000 2.046 194 L HA -0.152 4.187 4.340 -0.002 0.000 0.208 194 L C 1.545 178.441 176.870 0.043 0.000 1.077 194 L CA 1.639 56.491 54.840 0.019 0.000 0.747 194 L CB -0.269 41.792 42.059 0.005 0.000 0.896 194 L HN -0.162 nan 8.230 nan 0.000 0.432 195 D N -0.957 119.465 120.400 0.038 0.000 2.123 195 D HA -0.255 4.384 4.640 -0.002 0.000 0.196 195 D C 2.041 178.369 176.300 0.047 0.000 0.992 195 D CA 1.246 55.272 54.000 0.044 0.000 0.833 195 D CB -0.080 40.736 40.800 0.027 0.000 0.954 195 D HN 0.497 nan 8.370 nan 0.000 0.455 196 Q N 0.140 119.963 119.800 0.038 0.000 2.079 196 Q HA -0.119 4.220 4.340 -0.002 0.000 0.200 196 Q C 2.082 178.116 176.000 0.057 0.000 0.974 196 Q CA 1.433 57.259 55.803 0.038 0.000 0.840 196 Q CB -0.034 28.721 28.738 0.029 0.000 0.898 196 Q HN 0.204 nan 8.270 nan 0.000 0.430 197 A N 0.771 123.629 122.820 0.064 0.000 1.883 197 A HA -0.185 4.134 4.320 -0.002 0.000 0.217 197 A C 2.025 179.692 177.584 0.139 0.000 1.186 197 A CA 1.337 53.425 52.037 0.086 0.000 0.624 197 A CB -0.763 18.279 19.000 0.069 0.000 0.822 197 A HN 0.444 nan 8.150 nan 0.000 0.444 198 L N -1.019 120.302 121.223 0.163 0.000 2.141 198 L HA -0.132 4.207 4.340 -0.002 0.000 0.209 198 L C 3.005 179.996 176.870 0.201 0.000 1.094 198 L CA 0.834 55.840 54.840 0.276 0.000 0.763 198 L CB -0.443 41.797 42.059 0.301 0.000 0.908 198 L HN 0.444 nan 8.230 nan 0.000 0.437 199 A N 0.009 122.886 122.820 0.096 0.000 1.929 199 A HA -0.096 4.223 4.320 -0.002 0.000 0.216 199 A C 2.239 179.853 177.584 0.050 0.000 1.176 199 A CA 1.076 53.133 52.037 0.033 0.000 0.628 199 A CB -0.473 18.534 19.000 0.012 0.000 0.816 199 A HN 0.325 nan 8.150 nan 0.000 0.444 200 L N -1.188 120.081 121.223 0.077 0.000 2.056 200 L HA -0.149 4.190 4.340 -0.002 0.000 0.207 200 L C 2.502 179.437 176.870 0.108 0.000 1.078 200 L CA 1.006 55.891 54.840 0.075 0.000 0.749 200 L CB -0.452 41.649 42.059 0.070 0.000 0.901 200 L HN 0.408 nan 8.230 nan 0.000 0.433 201 L N 0.099 121.429 121.223 0.178 0.000 2.079 201 L HA -0.221 4.118 4.340 -0.002 0.000 0.210 201 L C 2.745 179.805 176.870 0.317 0.000 1.081 201 L CA 1.676 56.670 54.840 0.256 0.000 0.752 201 L CB -0.521 41.750 42.059 0.354 0.000 0.896 201 L HN 0.148 nan 8.230 nan 0.000 0.433 202 R N 0.169 120.826 120.500 0.263 0.000 2.115 202 R HA -0.174 4.165 4.340 -0.002 0.000 0.230 202 R C 1.960 178.283 176.300 0.039 0.000 1.111 202 R CA 1.631 57.782 56.100 0.085 0.000 0.976 202 R CB -0.093 30.041 30.300 -0.276 0.000 0.870 202 R HN 0.520 nan 8.270 nan 0.000 0.445 203 K N -0.518 119.901 120.400 0.031 0.000 2.374 203 K HA 0.282 4.601 4.320 -0.002 0.000 0.196 203 K C -0.105 176.499 176.600 0.007 0.000 1.023 203 K CA 0.144 56.434 56.287 0.005 0.000 1.103 203 K CB 0.695 33.189 32.500 -0.011 0.000 0.848 203 K HN 0.086 nan 8.250 nan 0.000 0.528 204 A N 1.549 124.384 122.820 0.025 0.000 2.407 204 A HA 0.126 4.445 4.320 -0.002 0.000 0.248 204 A C 0.341 177.890 177.584 -0.057 0.000 1.082 204 A CA -0.410 51.619 52.037 -0.013 0.000 0.785 204 A CB 0.453 19.457 19.000 0.006 0.000 1.020 204 A HN 0.466 nan 8.150 nan 0.000 0.489 205 E N 0.443 120.566 120.200 -0.129 0.000 2.307 205 E HA 0.037 4.386 4.350 -0.002 0.000 0.195 205 E C 0.117 176.453 176.600 -0.440 0.000 0.975 205 E CA 0.490 56.772 56.400 -0.197 0.000 0.878 205 E CB 0.273 29.874 29.700 -0.165 0.000 0.845 205 E HN 0.630 nan 8.360 nan 0.000 0.488 206 R N 1.293 121.449 120.500 -0.573 0.000 2.674 206 R HA 0.214 4.553 4.340 -0.002 0.000 0.270 206 R C -2.666 173.327 176.300 -0.511 0.000 1.492 206 R CA -1.311 54.052 56.100 -1.229 0.000 1.624 206 R CB 1.336 30.773 30.300 -1.440 0.000 1.307 206 R HN 0.060 nan 8.270 nan 0.000 0.683 207 P HA 0.260 nan 4.420 nan 0.000 0.276 207 P C -0.397 177.125 177.300 0.371 0.000 1.244 207 P CA -0.320 62.855 63.100 0.124 0.000 0.801 207 P CB 1.856 33.625 31.700 0.116 0.000 1.006 208 V N 2.332 122.402 119.914 0.259 0.000 3.048 208 V HA 0.395 4.514 4.120 -0.002 0.000 0.303 208 V C -0.231 175.972 176.094 0.182 0.000 1.214 208 V CA -0.670 61.800 62.300 0.283 0.000 0.984 208 V CB 2.373 34.340 31.823 0.240 0.000 1.054 208 V HN 0.375 nan 8.190 nan 0.000 0.430 209 I N 3.652 124.344 120.570 0.203 0.000 2.474 209 I HA 0.634 4.804 4.170 -0.002 0.000 0.294 209 I C -0.949 175.263 176.117 0.158 0.000 1.005 209 I CA -0.923 60.466 61.300 0.149 0.000 1.113 209 I CB 2.145 40.225 38.000 0.135 0.000 1.289 209 I HN 0.235 nan 8.210 nan 0.000 0.436 210 V N 6.894 126.855 119.914 0.078 0.000 2.443 210 V HA 0.437 4.556 4.120 -0.002 0.000 0.293 210 V C -0.126 175.977 176.094 0.015 0.000 1.021 210 V CA -0.550 61.778 62.300 0.048 0.000 0.848 210 V CB 1.650 33.450 31.823 -0.038 0.000 0.998 210 V HN 0.468 nan 8.190 nan 0.000 0.424 211 L N 3.993 125.231 121.223 0.026 0.000 2.343 211 L HA 0.899 5.238 4.340 -0.002 0.000 0.275 211 L C 0.870 177.730 176.870 -0.016 0.000 1.056 211 L CA -0.107 54.736 54.840 0.005 0.000 0.804 211 L CB 1.568 43.637 42.059 0.017 0.000 1.203 211 L HN 0.756 nan 8.230 nan 0.000 0.440 212 G N -0.456 108.326 108.800 -0.031 0.000 3.211 212 G HA2 0.345 4.304 3.960 -0.002 0.000 0.262 212 G HA3 0.345 4.304 3.960 -0.002 0.000 0.262 212 G C 0.664 175.539 174.900 -0.042 0.000 1.352 212 G CA 0.315 45.387 45.100 -0.048 0.000 1.004 212 G HN 0.618 nan 8.290 nan 0.000 0.559 213 S N -0.639 115.024 115.700 -0.062 0.000 2.368 213 S HA -0.123 4.346 4.470 -0.002 0.000 0.225 213 S C 1.647 176.220 174.600 -0.044 0.000 1.030 213 S CA 1.904 60.070 58.200 -0.057 0.000 0.999 213 S CB -0.314 62.834 63.200 -0.087 0.000 0.844 213 S HN 0.483 nan 8.310 nan 0.000 0.459 214 E N 1.847 122.019 120.200 -0.046 0.000 2.267 214 E HA -0.064 4.285 4.350 -0.002 0.000 0.197 214 E C 2.280 178.865 176.600 -0.025 0.000 0.998 214 E CA 1.098 57.478 56.400 -0.035 0.000 0.830 214 E CB -0.627 29.052 29.700 -0.035 0.000 0.751 214 E HN 0.751 nan 8.360 nan 0.000 0.491 215 A N 0.571 123.377 122.820 -0.022 0.000 1.929 215 A HA -0.082 4.237 4.320 -0.002 0.000 0.216 215 A C 2.474 180.051 177.584 -0.011 0.000 1.176 215 A CA 1.348 53.377 52.037 -0.014 0.000 0.628 215 A CB -0.256 18.739 19.000 -0.007 0.000 0.816 215 A HN 0.136 nan 8.150 nan 0.000 0.444 216 S N -0.583 115.109 115.700 -0.012 0.000 2.387 216 S HA -0.081 4.388 4.470 -0.002 0.000 0.226 216 S C 2.143 176.733 174.600 -0.018 0.000 1.026 216 S CA 0.732 58.925 58.200 -0.012 0.000 0.972 216 S CB -0.234 62.960 63.200 -0.010 0.000 0.814 216 S HN 0.486 nan 8.310 nan 0.000 0.477 217 R N 1.154 121.642 120.500 -0.020 0.000 2.096 217 R HA -0.037 4.302 4.340 -0.002 0.000 0.235 217 R C 2.418 178.707 176.300 -0.017 0.000 1.127 217 R CA 1.806 57.894 56.100 -0.019 0.000 0.968 217 R CB -1.559 28.730 30.300 -0.018 0.000 0.861 217 R HN 0.642 nan 8.270 nan 0.000 0.440 218 T N -2.913 111.632 114.554 -0.015 0.000 3.037 218 T HA 0.364 4.713 4.350 -0.002 0.000 0.252 218 T C 0.964 175.658 174.700 -0.010 0.000 1.073 218 T CA 0.446 62.538 62.100 -0.012 0.000 1.091 218 T CB 0.237 69.100 68.868 -0.008 0.000 0.935 218 T HN 0.256 nan 8.240 nan 0.000 0.488 219 A N 2.272 125.087 122.820 -0.010 0.000 2.610 219 A HA -0.167 4.152 4.320 -0.002 0.000 0.299 219 A C 0.661 178.244 177.584 -0.003 0.000 1.487 219 A CA 0.330 52.362 52.037 -0.008 0.000 0.743 219 A CB -1.965 17.027 19.000 -0.013 0.000 1.070 219 A HN 0.531 nan 8.150 nan 0.000 0.439 220 R N -0.021 120.479 120.500 0.001 0.000 4.164 220 R HA 0.128 4.467 4.340 -0.002 0.000 0.195 220 R C 1.157 177.462 176.300 0.008 0.000 1.712 220 R CA 0.305 56.408 56.100 0.005 0.000 1.457 220 R CB -0.103 30.199 30.300 0.004 0.000 1.387 220 R HN 0.718 nan 8.270 nan 0.000 0.785 221 K N 0.098 120.501 120.400 0.006 0.000 2.025 221 K HA -0.136 4.183 4.320 -0.002 0.000 0.207 221 K C 2.163 178.768 176.600 0.009 0.000 1.049 221 K CA 2.093 58.384 56.287 0.006 0.000 0.933 221 K CB -0.008 32.492 32.500 -0.000 0.000 0.714 221 K HN 0.373 nan 8.250 nan 0.000 0.438 222 T N -0.525 114.034 114.554 0.009 0.000 2.867 222 T HA -0.041 4.308 4.350 -0.002 0.000 0.268 222 T C 2.046 176.757 174.700 0.019 0.000 1.057 222 T CA 1.091 63.198 62.100 0.011 0.000 1.136 222 T CB -0.160 68.713 68.868 0.009 0.000 0.874 222 T HN 0.163 nan 8.240 nan 0.000 0.466 223 A N 1.504 124.336 122.820 0.020 0.000 1.873 223 A HA 0.160 4.479 4.320 -0.002 0.000 0.215 223 A C 2.339 179.957 177.584 0.057 0.000 1.186 223 A CA 1.587 53.639 52.037 0.026 0.000 0.616 223 A CB -1.038 17.966 19.000 0.005 0.000 0.823 223 A HN 0.526 nan 8.150 nan 0.000 0.442 224 L N -0.337 120.918 121.223 0.054 0.000 2.042 224 L HA -0.127 4.212 4.340 -0.002 0.000 0.210 224 L C 2.553 179.477 176.870 0.089 0.000 1.076 224 L CA 2.502 57.399 54.840 0.096 0.000 0.749 224 L CB -0.663 41.431 42.059 0.059 0.000 0.893 224 L HN 0.303 nan 8.230 nan 0.000 0.432 225 S N -1.030 114.694 115.700 0.040 0.000 2.368 225 S HA -0.131 4.338 4.470 -0.002 0.000 0.225 225 S C 2.088 176.691 174.600 0.006 0.000 1.030 225 S CA 1.087 59.292 58.200 0.008 0.000 0.999 225 S CB -0.410 62.789 63.200 -0.002 0.000 0.844 225 S HN 0.683 nan 8.310 nan 0.000 0.459 226 A N 0.343 123.182 122.820 0.032 0.000 1.902 226 A HA -0.056 4.263 4.320 -0.002 0.000 0.217 226 A C 1.950 179.563 177.584 0.048 0.000 1.181 226 A CA 1.505 53.561 52.037 0.032 0.000 0.623 226 A CB -0.934 18.092 19.000 0.043 0.000 0.818 226 A HN 0.663 nan 8.150 nan 0.000 0.443 227 F N 0.559 120.460 119.950 -0.083 0.000 2.075 227 F HA -0.170 4.356 4.527 -0.002 0.000 0.297 227 F C 2.180 177.879 175.800 -0.168 0.000 1.113 227 F CA 1.953 59.878 58.000 -0.126 0.000 1.218 227 F CB -0.077 38.862 39.000 -0.101 0.000 0.984 227 F HN 0.044 nan 8.300 nan 0.000 0.472 228 V N 0.750 120.475 119.914 -0.315 0.000 2.407 228 V HA -0.304 3.815 4.120 -0.002 0.000 0.248 228 V C 2.695 178.607 176.094 -0.303 0.000 1.055 228 V CA 1.724 63.784 62.300 -0.399 0.000 1.049 228 V CB -1.456 30.245 31.823 -0.204 0.000 0.662 228 V HN 0.516 nan 8.190 nan 0.000 0.455 229 A N -0.243 122.465 122.820 -0.188 0.000 2.015 229 A HA 0.017 4.336 4.320 -0.002 0.000 0.219 229 A C 2.309 179.802 177.584 -0.153 0.000 1.163 229 A CA 1.791 53.747 52.037 -0.135 0.000 0.646 229 A CB -0.471 18.484 19.000 -0.075 0.000 0.806 229 A HN 0.562 nan 8.150 nan 0.000 0.448 230 A N -0.757 121.935 122.820 -0.213 0.000 2.021 230 A HA 0.093 4.412 4.320 -0.002 0.000 0.216 230 A C 2.221 179.553 177.584 -0.420 0.000 1.163 230 A CA 1.941 53.844 52.037 -0.223 0.000 0.676 230 A CB -0.589 18.313 19.000 -0.163 0.000 0.818 230 A HN 0.670 nan 8.150 nan 0.000 0.453 231 T N -5.383 108.796 114.554 -0.624 0.000 2.990 231 T HA 0.394 4.743 4.350 -0.002 0.000 0.249 231 T C 1.442 175.939 174.700 -0.337 0.000 1.039 231 T CA 1.144 62.783 62.100 -0.768 0.000 1.036 231 T CB 0.041 68.203 68.868 -1.177 0.000 0.994 231 T HN 1.587 nan 8.240 nan 0.000 0.489 232 G N 1.297 109.933 108.800 -0.274 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 0.015 174.858 174.900 -0.096 0.000 1.010 232 G CA 0.145 45.163 45.100 -0.137 0.000 0.736 232 G HN 0.737 nan 8.290 nan 0.000 0.513 233 V N 2.451 122.259 119.914 -0.176 0.000 2.432 233 V HA 0.431 4.550 4.120 -0.002 0.000 0.275 233 V C -1.120 174.934 176.094 -0.067 0.000 1.043 233 V CA -1.437 60.823 62.300 -0.066 0.000 0.925 233 V CB 1.453 33.208 31.823 -0.114 0.000 0.985 233 V HN 0.244 nan 8.190 nan 0.000 0.466 234 P HA 0.239 nan 4.420 nan 0.000 0.271 234 P C -0.916 176.354 177.300 -0.051 0.000 1.218 234 P CA -0.049 62.992 63.100 -0.098 0.000 0.780 234 P CB 1.086 32.684 31.700 -0.170 0.000 0.901 235 V N 3.354 123.160 119.914 -0.181 0.000 2.540 235 V HA 0.468 4.587 4.120 -0.002 0.000 0.302 235 V C -0.010 175.928 176.094 -0.260 0.000 1.035 235 V CA -0.398 61.847 62.300 -0.091 0.000 0.873 235 V CB 0.971 32.754 31.823 -0.066 0.000 0.992 235 V HN 0.390 nan 8.190 nan 0.000 0.428 236 F N 1.678 121.598 119.950 -0.049 0.000 2.613 236 F HA 0.940 5.466 4.527 -0.001 0.000 0.342 236 F C 0.442 176.213 175.800 -0.047 0.000 1.066 236 F CA -0.648 57.319 58.000 -0.056 0.000 1.002 236 F CB 2.075 41.027 39.000 -0.079 0.000 1.319 236 F HN 0.668 nan 8.300 nan 0.000 0.495 237 A N 0.378 123.293 122.820 0.158 0.000 2.594 237 A HA 0.564 4.883 4.320 -0.002 0.000 0.295 237 A C -1.640 175.964 177.584 0.033 0.000 1.071 237 A CA -0.871 51.207 52.037 0.069 0.000 0.685 237 A CB 1.096 20.124 19.000 0.048 0.000 1.285 237 A HN 0.688 nan 8.150 nan 0.000 0.405 238 D N -0.064 120.325 120.400 -0.018 0.000 2.414 238 D HA 0.224 4.864 4.640 -0.002 0.000 0.251 238 D C 0.754 177.073 176.300 0.030 0.000 1.252 238 D CA -0.122 53.822 54.000 -0.093 0.000 0.999 238 D CB -0.041 40.677 40.800 -0.137 0.000 1.093 238 D HN 0.426 nan 8.370 nan 0.000 0.515 239 Y N -0.900 119.474 120.300 0.124 0.000 2.102 239 Y HA -0.155 4.394 4.550 -0.001 0.000 0.280 239 Y C 2.449 178.456 175.900 0.179 0.000 1.178 239 Y CA 1.823 60.061 58.100 0.230 0.000 1.146 239 Y CB -0.966 37.593 38.460 0.165 0.000 0.968 239 Y HN 0.516 nan 8.280 nan 0.000 0.504 240 E N -0.361 119.956 120.200 0.196 0.000 2.274 240 E HA -0.042 4.307 4.350 -0.002 0.000 0.194 240 E C 2.341 178.985 176.600 0.074 0.000 0.996 240 E CA 1.054 57.504 56.400 0.084 0.000 0.840 240 E CB -0.527 29.171 29.700 -0.004 0.000 0.772 240 E HN 0.406 nan 8.360 nan 0.000 0.491 241 G N -0.200 108.643 108.800 0.072 0.000 2.880 241 G HA2 -0.091 3.868 3.960 -0.002 0.000 0.209 241 G HA3 -0.091 3.868 3.960 -0.002 0.000 0.209 241 G C 1.296 176.236 174.900 0.066 0.000 1.157 241 G CA 0.258 45.388 45.100 0.049 0.000 0.779 241 G HN 0.290 nan 8.290 nan 0.000 0.539 242 L N 2.227 123.521 121.223 0.118 0.000 2.042 242 L HA -0.115 4.224 4.340 -0.002 0.000 0.210 242 L C 2.976 179.873 176.870 0.045 0.000 1.076 242 L CA 2.614 57.503 54.840 0.083 0.000 0.749 242 L CB -0.600 41.516 42.059 0.094 0.000 0.893 242 L HN 0.282 nan 8.230 nan 0.000 0.432 243 S N -1.772 113.973 115.700 0.076 0.000 2.474 243 S HA -0.161 4.308 4.470 -0.002 0.000 0.235 243 S C 1.822 176.432 174.600 0.017 0.000 0.997 243 S CA 0.933 59.161 58.200 0.046 0.000 0.949 243 S CB -0.545 62.694 63.200 0.065 0.000 0.766 243 S HN 0.428 nan 8.310 nan 0.000 0.517 244 M N 1.050 120.660 119.600 0.016 0.000 2.700 244 M HA 0.228 4.707 4.480 -0.002 0.000 0.249 244 M C 1.246 177.542 176.300 -0.008 0.000 1.082 244 M CA 0.683 55.986 55.300 0.004 0.000 1.077 244 M CB -1.014 31.591 32.600 0.008 0.000 1.477 244 M HN 0.443 nan 8.290 nan 0.000 0.529 245 L N -1.862 119.350 121.223 -0.018 0.000 2.585 245 L HA 0.069 4.408 4.340 -0.002 0.000 0.226 245 L C 1.971 178.812 176.870 -0.048 0.000 1.113 245 L CA -0.031 54.784 54.840 -0.042 0.000 0.876 245 L CB -0.378 41.642 42.059 -0.064 0.000 1.072 245 L HN 0.104 nan 8.230 nan 0.000 0.468 246 S N 0.689 116.368 115.700 -0.035 0.000 2.447 246 S HA -0.046 4.423 4.470 -0.002 0.000 0.233 246 S C 1.832 176.410 174.600 -0.037 0.000 1.006 246 S CA 1.163 59.341 58.200 -0.037 0.000 0.957 246 S CB -0.055 63.129 63.200 -0.025 0.000 0.773 246 S HN 0.595 nan 8.310 nan 0.000 0.507 247 G N 0.404 109.185 108.800 -0.032 0.000 3.189 247 G HA2 0.358 4.318 3.960 -0.002 0.000 0.225 247 G HA3 0.358 4.318 3.960 -0.002 0.000 0.225 247 G C 0.204 175.081 174.900 -0.038 0.000 1.159 247 G CA -0.292 44.790 45.100 -0.031 0.000 0.763 247 G HN 0.293 nan 8.290 nan 0.000 0.549 248 L N 0.927 122.121 121.223 -0.049 0.000 2.399 248 L HA 0.361 4.700 4.340 -0.002 0.000 0.266 248 L C -2.021 174.808 176.870 -0.068 0.000 1.114 248 L CA -2.028 52.776 54.840 -0.061 0.000 0.804 248 L CB 1.189 43.203 42.059 -0.074 0.000 1.146 248 L HN -0.117 nan 8.230 nan 0.000 0.451 249 P HA 0.028 nan 4.420 nan 0.000 0.269 249 P C -0.095 177.153 177.300 -0.087 0.000 1.209 249 P CA -0.239 62.819 63.100 -0.072 0.000 0.776 249 P CB 0.569 32.228 31.700 -0.069 0.000 0.876 250 D N 1.922 122.272 120.400 -0.083 0.000 2.149 250 D HA -0.168 4.471 4.640 -0.002 0.000 0.198 250 D C 1.721 177.955 176.300 -0.111 0.000 0.990 250 D CA 1.642 55.584 54.000 -0.096 0.000 0.839 250 D CB -0.231 40.518 40.800 -0.085 0.000 0.948 250 D HN 0.406 nan 8.370 nan 0.000 0.460 251 A N 0.823 123.583 122.820 -0.100 0.000 2.121 251 A HA -0.103 4.216 4.320 -0.002 0.000 0.218 251 A C 1.837 179.339 177.584 -0.137 0.000 1.154 251 A CA 0.922 52.895 52.037 -0.107 0.000 0.679 251 A CB -0.231 18.720 19.000 -0.082 0.000 0.795 251 A HN 0.185 nan 8.150 nan 0.000 0.458 252 M N -1.030 118.483 119.600 -0.145 0.000 2.405 252 M HA 0.288 4.767 4.480 -0.002 0.000 0.292 252 M C -0.194 175.973 176.300 -0.220 0.000 1.111 252 M CA 0.118 55.314 55.300 -0.173 0.000 0.979 252 M CB -0.242 32.269 32.600 -0.148 0.000 1.426 252 M HN 0.127 nan 8.290 nan 0.000 0.509 253 R N 1.230 121.595 120.500 -0.224 0.000 2.235 253 R HA 0.418 4.757 4.340 -0.002 0.000 0.338 253 R C 1.303 177.374 176.300 -0.381 0.000 1.087 253 R CA -0.163 55.780 56.100 -0.261 0.000 0.948 253 R CB 0.766 30.956 30.300 -0.183 0.000 1.099 253 R HN 0.335 nan 8.270 nan 0.000 0.483 254 G N 1.640 110.042 108.800 -0.664 0.000 2.494 254 G HA2 0.197 4.156 3.960 -0.002 0.000 0.216 254 G HA3 0.197 4.156 3.960 -0.002 0.000 0.216 254 G C 0.764 175.265 174.900 -0.665 0.000 1.140 254 G CA 0.657 45.075 45.100 -1.136 0.000 0.801 254 G HN 0.877 nan 8.290 nan 0.000 0.536 255 G N -0.524 108.033 108.800 -0.405 0.000 2.482 255 G HA2 -0.172 3.788 3.960 -0.002 0.000 0.214 255 G HA3 -0.172 3.788 3.960 -0.002 0.000 0.214 255 G C -0.186 174.737 174.900 0.038 0.000 1.271 255 G CA -0.418 44.611 45.100 -0.118 0.000 0.944 255 G HN 0.564 nan 8.290 nan 0.000 0.568 256 L N 1.216 122.500 121.223 0.102 0.000 2.456 256 L HA 0.244 4.583 4.340 -0.002 0.000 0.272 256 L C 2.409 179.408 176.870 0.214 0.000 1.189 256 L CA -0.030 54.890 54.840 0.134 0.000 0.846 256 L CB 1.075 43.206 42.059 0.120 0.000 1.111 256 L HN 0.773 nan 8.230 nan 0.000 0.475 257 V N 0.240 120.227 119.914 0.122 0.000 2.380 257 V HA -0.320 3.799 4.120 -0.002 0.000 0.251 257 V C 2.314 178.394 176.094 -0.024 0.000 1.063 257 V CA 1.941 64.243 62.300 0.004 0.000 1.055 257 V CB -1.403 30.362 31.823 -0.097 0.000 0.657 257 V HN 1.084 nan 8.190 nan 0.000 0.455 258 Q N 3.642 123.452 119.800 0.018 0.000 2.197 258 Q HA -0.337 4.002 4.340 -0.002 0.000 0.211 258 Q C 1.601 177.666 176.000 0.110 0.000 0.993 258 Q CA 2.543 58.373 55.803 0.046 0.000 0.883 258 Q CB -1.089 27.680 28.738 0.052 0.000 0.916 258 Q HN 0.854 nan 8.270 nan 0.000 0.418 259 N N 0.070 118.866 118.700 0.159 0.000 2.370 259 N HA -0.008 4.731 4.740 -0.002 0.000 0.198 259 N C 0.939 176.624 175.510 0.292 0.000 1.156 259 N CA 0.114 53.312 53.050 0.247 0.000 0.839 259 N CB 0.121 38.766 38.487 0.263 0.000 0.989 259 N HN 0.143 nan 8.380 nan 0.000 0.468 260 L N -0.346 120.879 121.223 0.004 0.000 2.465 260 L HA 0.097 4.436 4.340 -0.002 0.000 0.224 260 L C 1.622 178.516 176.870 0.042 0.000 1.145 260 L CA 0.657 55.293 54.840 -0.340 0.000 0.834 260 L CB -1.164 40.504 42.059 -0.651 0.000 0.944 260 L HN 0.246 nan 8.230 nan 0.000 0.451 261 Y N 0.371 120.704 120.300 0.056 0.000 2.081 261 Y HA -0.323 4.226 4.550 -0.001 0.000 0.280 261 Y C 2.586 178.571 175.900 0.142 0.000 1.163 261 Y CA 2.108 60.252 58.100 0.073 0.000 1.135 261 Y CB -0.212 38.282 38.460 0.057 0.000 0.970 261 Y HN 0.358 nan 8.280 nan 0.000 0.498 262 S N -0.997 114.881 115.700 0.296 0.000 2.631 262 S HA -0.014 4.455 4.470 -0.002 0.000 0.217 262 S C 1.583 176.264 174.600 0.135 0.000 0.958 262 S CA -0.098 58.194 58.200 0.153 0.000 0.920 262 S CB -1.301 62.022 63.200 0.205 0.000 0.776 262 S HN 0.445 nan 8.310 nan 0.000 0.517 263 F N 1.990 121.931 119.950 -0.015 0.000 2.186 263 F HA 0.016 4.542 4.527 -0.002 0.000 0.299 263 F C 2.816 178.617 175.800 0.003 0.000 1.090 263 F CA 0.869 58.884 58.000 0.025 0.000 1.307 263 F CB -0.391 38.642 39.000 0.054 0.000 1.019 263 F HN 0.379 nan 8.300 nan 0.000 0.489 264 A N -0.050 122.842 122.820 0.120 0.000 1.877 264 A HA -0.168 4.151 4.320 -0.002 0.000 0.216 264 A C 2.039 179.625 177.584 0.004 0.000 1.186 264 A CA 1.308 53.365 52.037 0.033 0.000 0.620 264 A CB -0.422 18.553 19.000 -0.042 0.000 0.822 264 A HN 0.051 nan 8.150 nan 0.000 0.443 265 K N 0.168 120.553 120.400 -0.025 0.000 2.519 265 K HA 0.078 4.397 4.320 -0.002 0.000 0.196 265 K C 1.282 177.876 176.600 -0.010 0.000 1.041 265 K CA 0.957 57.231 56.287 -0.021 0.000 0.954 265 K CB -0.625 31.860 32.500 -0.025 0.000 0.774 265 K HN 0.490 nan 8.250 nan 0.000 0.480 266 A N 0.410 123.226 122.820 -0.008 0.000 2.470 266 A HA 0.114 4.433 4.320 -0.002 0.000 0.251 266 A C -0.388 177.199 177.584 0.004 0.000 1.245 266 A CA -0.132 51.893 52.037 -0.021 0.000 0.932 266 A CB 0.269 19.222 19.000 -0.078 0.000 1.037 266 A HN 0.216 nan 8.150 nan 0.000 0.522 267 D N -1.743 118.671 120.400 0.024 0.000 2.945 267 D HA -0.194 4.445 4.640 -0.002 0.000 0.225 267 D C 0.578 176.920 176.300 0.070 0.000 1.158 267 D CA 1.088 55.110 54.000 0.036 0.000 0.805 267 D CB -1.358 39.456 40.800 0.022 0.000 1.098 267 D HN 0.690 nan 8.370 nan 0.000 0.426 268 A N -0.741 122.154 122.820 0.125 0.000 2.610 268 A HA 0.611 4.930 4.320 -0.002 0.000 0.291 268 A C 0.920 178.743 177.584 0.399 0.000 1.116 268 A CA 0.611 52.803 52.037 0.259 0.000 0.963 268 A CB 0.533 19.693 19.000 0.266 0.000 1.220 268 A HN 0.396 nan 8.150 nan 0.000 0.530 269 A N 1.641 124.599 122.820 0.230 0.000 2.548 269 A HA 0.492 4.811 4.320 -0.002 0.000 0.247 269 A C -2.286 175.371 177.584 0.121 0.000 1.067 269 A CA -0.620 51.528 52.037 0.185 0.000 0.757 269 A CB -0.545 18.500 19.000 0.074 0.000 0.996 269 A HN 0.291 nan 8.150 nan 0.000 0.504 270 P HA -0.032 nan 4.420 nan 0.000 0.264 270 P C 0.272 177.553 177.300 -0.032 0.000 1.179 270 P CA 0.222 63.353 63.100 0.052 0.000 0.763 270 P CB 0.604 32.326 31.700 0.037 0.000 0.806 271 D N 1.758 122.100 120.400 -0.097 0.000 2.162 271 D HA 0.046 4.685 4.640 -0.002 0.000 0.205 271 D C 0.156 176.438 176.300 -0.030 0.000 0.964 271 D CA 0.925 54.872 54.000 -0.088 0.000 0.847 271 D CB 0.207 40.912 40.800 -0.158 0.000 0.988 271 D HN 0.218 nan 8.370 nan 0.000 0.480 272 L N 0.081 121.298 121.223 -0.009 0.000 2.513 272 L HA 0.457 4.796 4.340 -0.002 0.000 0.261 272 L C -1.822 175.074 176.870 0.044 0.000 0.945 272 L CA -0.745 54.110 54.840 0.025 0.000 0.848 272 L CB 2.250 44.330 42.059 0.035 0.000 1.334 272 L HN -0.211 nan 8.230 nan 0.000 0.407 273 V N 5.475 125.415 119.914 0.043 0.000 2.577 273 V HA 0.561 4.680 4.120 -0.002 0.000 0.303 273 V C -1.609 174.509 176.094 0.039 0.000 1.042 273 V CA -0.586 61.735 62.300 0.035 0.000 0.872 273 V CB 1.884 33.700 31.823 -0.012 0.000 0.998 273 V HN 0.718 nan 8.190 nan 0.000 0.423 274 L N 7.851 129.106 121.223 0.054 0.000 2.259 274 L HA 0.633 4.972 4.340 -0.002 0.000 0.288 274 L C -0.162 176.721 176.870 0.021 0.000 1.051 274 L CA 0.063 54.936 54.840 0.054 0.000 0.824 274 L CB 1.012 43.131 42.059 0.100 0.000 1.206 274 L HN 0.778 nan 8.230 nan 0.000 0.429 275 M N 6.818 126.407 119.600 -0.018 0.000 2.063 275 M HA 0.347 4.826 4.480 -0.002 0.000 0.348 275 M C -0.783 175.491 176.300 -0.044 0.000 1.180 275 M CA -0.044 55.217 55.300 -0.064 0.000 1.059 275 M CB 0.840 33.349 32.600 -0.151 0.000 1.544 275 M HN 0.438 nan 8.290 nan 0.000 0.447 276 L N 3.563 124.766 121.223 -0.033 0.000 2.371 276 L HA 0.444 4.783 4.340 -0.002 0.000 0.262 276 L C 0.965 177.812 176.870 -0.038 0.000 1.054 276 L CA -0.304 54.520 54.840 -0.027 0.000 0.924 276 L CB 0.563 42.617 42.059 -0.009 0.000 1.295 276 L HN 1.111 nan 8.230 nan 0.000 0.441 277 G N 1.751 110.523 108.800 -0.048 0.000 2.179 277 G HA2 -0.277 3.682 3.960 -0.002 0.000 0.260 277 G HA3 -0.277 3.682 3.960 -0.002 0.000 0.260 277 G C 0.379 175.237 174.900 -0.072 0.000 0.977 277 G CA 0.079 45.147 45.100 -0.053 0.000 0.641 277 G HN 0.731 nan 8.290 nan 0.000 0.533 278 A N 0.608 123.373 122.820 -0.091 0.000 2.309 278 A HA 0.753 5.072 4.320 -0.002 0.000 0.290 278 A C 0.766 178.253 177.584 -0.163 0.000 1.206 278 A CA -0.152 51.813 52.037 -0.120 0.000 0.850 278 A CB 0.301 19.221 19.000 -0.134 0.000 1.118 278 A HN 0.512 nan 8.150 nan 0.000 0.523 279 R N 1.146 121.584 120.500 -0.102 0.000 2.560 279 R HA 0.366 4.705 4.340 -0.002 0.000 0.270 279 R C -1.103 175.124 176.300 -0.121 0.000 1.074 279 R CA -0.296 55.767 56.100 -0.061 0.000 1.140 279 R CB 0.636 30.980 30.300 0.074 0.000 1.073 279 R HN 0.647 nan 8.270 nan 0.000 0.527 280 F N 0.850 120.814 119.950 0.024 0.000 2.502 280 F HA 0.318 4.844 4.527 -0.001 0.000 0.371 280 F C 1.279 177.068 175.800 -0.018 0.000 1.083 280 F CA 1.056 59.058 58.000 0.004 0.000 1.174 280 F CB 0.942 39.953 39.000 0.019 0.000 1.096 280 F HN 0.661 nan 8.300 nan 0.000 0.545 281 G N 2.160 110.993 108.800 0.055 0.000 2.364 281 G HA2 0.156 4.115 3.960 -0.002 0.000 0.286 281 G HA3 0.156 4.115 3.960 -0.002 0.000 0.286 281 G C -0.232 174.369 174.900 -0.499 0.000 1.241 281 G CA -0.677 44.317 45.100 -0.175 0.000 0.887 281 G HN 0.510 nan 8.290 nan 0.000 0.484 282 L N 0.769 121.669 121.223 -0.538 0.000 1.997 282 L HA -0.078 4.261 4.340 -0.002 0.000 0.216 282 L C 2.246 178.992 176.870 -0.207 0.000 1.074 282 L CA 2.937 57.520 54.840 -0.429 0.000 0.763 282 L CB -0.592 41.403 42.059 -0.107 0.000 0.890 282 L HN 0.544 nan 8.230 nan 0.000 0.434 283 N N -1.140 117.537 118.700 -0.038 0.000 2.396 283 N HA -0.074 4.665 4.740 -0.002 0.000 0.180 283 N C 1.285 176.722 175.510 -0.122 0.000 1.028 283 N CA 1.506 54.501 53.050 -0.092 0.000 0.893 283 N CB -0.334 38.085 38.487 -0.114 0.000 0.967 283 N HN 0.643 nan 8.380 nan 0.000 0.440 284 T N -3.676 110.806 114.554 -0.120 0.000 3.134 284 T HA 0.409 4.758 4.350 -0.002 0.000 0.260 284 T C 1.071 175.739 174.700 -0.053 0.000 1.027 284 T CA 0.126 62.163 62.100 -0.104 0.000 0.913 284 T CB 0.439 69.223 68.868 -0.140 0.000 1.046 284 T HN 0.206 nan 8.240 nan 0.000 0.553 285 G N 1.787 110.532 108.800 -0.092 0.000 2.149 285 G HA2 -0.248 3.711 3.960 -0.002 0.000 0.235 285 G HA3 -0.248 3.711 3.960 -0.002 0.000 0.235 285 G C 0.263 175.237 174.900 0.123 0.000 1.018 285 G CA 0.402 45.514 45.100 0.019 0.000 0.728 285 G HN 0.897 nan 8.290 nan 0.000 0.508 286 H N -1.714 117.418 119.070 0.103 0.000 1.452 286 H HA -0.250 4.305 4.556 -0.002 0.000 0.090 286 H C 2.017 177.432 175.328 0.146 0.000 1.001 286 H CA 2.637 58.749 56.048 0.107 0.000 1.901 286 H CB -1.214 28.575 29.762 0.045 0.000 2.257 286 H HN 1.169 nan 8.280 nan 0.000 0.961 287 G N -0.866 108.072 108.800 0.231 0.000 3.434 287 G HA2 0.233 4.192 3.960 -0.002 0.000 0.258 287 G HA3 0.233 4.192 3.960 -0.002 0.000 0.258 287 G C 1.104 176.123 174.900 0.199 0.000 1.128 287 G CA 0.592 45.766 45.100 0.123 0.000 0.792 287 G HN 0.686 nan 8.290 nan 0.000 0.539 288 S N -0.526 115.271 115.700 0.161 0.000 2.461 288 S HA 0.256 4.725 4.470 -0.002 0.000 0.228 288 S C 2.048 176.584 174.600 -0.107 0.000 1.005 288 S CA 1.132 59.390 58.200 0.095 0.000 0.942 288 S CB -0.188 63.069 63.200 0.094 0.000 0.776 288 S HN 1.396 nan 8.310 nan 0.000 0.514 289 G N 0.872 109.560 108.800 -0.188 0.000 2.148 289 G HA2 -0.317 3.642 3.960 -0.002 0.000 0.254 289 G HA3 -0.317 3.642 3.960 -0.002 0.000 0.254 289 G C 0.626 175.372 174.900 -0.256 0.000 0.981 289 G CA 0.540 45.350 45.100 -0.482 0.000 0.670 289 G HN 0.563 nan 8.290 nan 0.000 0.528 290 Q N -0.975 118.757 119.800 -0.114 0.000 2.230 290 Q HA 0.240 4.579 4.340 -0.002 0.000 0.202 290 Q C 2.531 178.489 176.000 -0.070 0.000 0.963 290 Q CA 1.316 57.071 55.803 -0.081 0.000 0.866 290 Q CB 0.030 28.794 28.738 0.042 0.000 0.931 290 Q HN 0.719 nan 8.270 nan 0.000 0.452 291 L N -0.865 120.327 121.223 -0.051 0.000 2.586 291 L HA 0.181 4.520 4.340 -0.002 0.000 0.204 291 L C 0.368 177.160 176.870 -0.130 0.000 1.053 291 L CA -0.132 54.651 54.840 -0.094 0.000 0.856 291 L CB 0.524 42.538 42.059 -0.076 0.000 1.192 291 L HN 0.061 nan 8.230 nan 0.000 0.484 292 I N 2.216 122.751 120.570 -0.059 0.000 2.310 292 I HA 0.298 4.467 4.170 -0.002 0.000 0.287 292 I C -2.345 173.775 176.117 0.006 0.000 1.073 292 I CA -2.305 58.986 61.300 -0.014 0.000 1.216 292 I CB -0.151 37.905 38.000 0.094 0.000 1.415 292 I HN -0.201 nan 8.210 nan 0.000 0.480 293 P HA 0.060 nan 4.420 nan 0.000 0.268 293 P C 0.811 178.132 177.300 0.035 0.000 1.205 293 P CA 0.099 63.166 63.100 -0.056 0.000 0.771 293 P CB 0.490 32.173 31.700 -0.028 0.000 0.858 294 H N 0.715 119.794 119.070 0.014 0.000 2.456 294 H HA -0.084 4.471 4.556 -0.002 0.000 0.296 294 H C 1.683 177.013 175.328 0.004 0.000 1.079 294 H CA 1.951 58.003 56.048 0.006 0.000 1.322 294 H CB -0.669 29.090 29.762 -0.006 0.000 1.388 294 H HN 0.425 nan 8.280 nan 0.000 0.538 295 S N -0.455 115.314 115.700 0.116 0.000 2.562 295 S HA 0.311 4.781 4.470 -0.002 0.000 0.221 295 S C 1.255 175.881 174.600 0.043 0.000 0.975 295 S CA 0.039 58.277 58.200 0.063 0.000 0.918 295 S CB 0.133 63.356 63.200 0.038 0.000 0.772 295 S HN 0.395 nan 8.310 nan 0.000 0.531 296 A N 1.272 124.122 122.820 0.049 0.000 2.286 296 A HA 0.515 4.834 4.320 -0.002 0.000 0.286 296 A C 0.058 177.671 177.584 0.048 0.000 1.097 296 A CA -0.623 51.435 52.037 0.036 0.000 0.821 296 A CB 0.367 19.385 19.000 0.030 0.000 1.076 296 A HN 0.477 nan 8.150 nan 0.000 0.490 297 Q N 0.343 120.166 119.800 0.038 0.000 2.279 297 Q HA 0.467 4.806 4.340 -0.002 0.000 0.256 297 Q C -1.125 174.911 176.000 0.059 0.000 0.937 297 Q CA -0.316 55.515 55.803 0.046 0.000 0.933 297 Q CB 1.590 30.350 28.738 0.035 0.000 1.189 297 Q HN 0.483 nan 8.270 nan 0.000 0.417 298 V N 5.061 125.021 119.914 0.077 0.000 2.417 298 V HA 0.417 4.536 4.120 -0.002 0.000 0.291 298 V C -0.212 175.929 176.094 0.079 0.000 1.024 298 V CA -0.588 61.766 62.300 0.091 0.000 0.861 298 V CB 1.429 33.346 31.823 0.157 0.000 0.985 298 V HN 0.642 nan 8.190 nan 0.000 0.436 299 I N 4.619 125.227 120.570 0.063 0.000 2.339 299 I HA 0.461 4.630 4.170 -0.002 0.000 0.290 299 I C -0.065 176.077 176.117 0.040 0.000 0.994 299 I CA -0.137 61.196 61.300 0.055 0.000 1.191 299 I CB 1.401 39.434 38.000 0.055 0.000 1.343 299 I HN 0.608 nan 8.210 nan 0.000 0.458 300 Q N 5.660 125.486 119.800 0.042 0.000 2.331 300 Q HA 0.601 4.940 4.340 -0.002 0.000 0.267 300 Q C -1.672 174.337 176.000 0.015 0.000 1.006 300 Q CA -0.670 55.147 55.803 0.023 0.000 0.818 300 Q CB 2.396 31.166 28.738 0.054 0.000 1.276 300 Q HN 0.506 nan 8.270 nan 0.000 0.450 301 V N 4.479 124.391 119.914 -0.004 0.000 2.378 301 V HA 0.490 4.609 4.120 -0.002 0.000 0.288 301 V C -0.670 175.416 176.094 -0.014 0.000 1.016 301 V CA -0.548 61.748 62.300 -0.007 0.000 0.840 301 V CB 1.628 33.441 31.823 -0.016 0.000 0.994 301 V HN 0.797 nan 8.190 nan 0.000 0.431 302 D N 5.836 126.232 120.400 -0.006 0.000 2.837 302 D HA 0.338 4.977 4.640 -0.002 0.000 0.220 302 D C -2.247 174.051 176.300 -0.004 0.000 1.236 302 D CA -1.217 52.778 54.000 -0.009 0.000 0.838 302 D CB 3.870 44.668 40.800 -0.004 0.000 1.647 302 D HN 0.240 nan 8.370 nan 0.000 0.486 303 P HA -0.003 nan 4.420 nan 0.000 0.230 303 P C 0.004 177.305 177.300 0.002 0.000 1.158 303 P CA 0.620 63.718 63.100 -0.004 0.000 0.769 303 P CB 0.480 32.175 31.700 -0.008 0.000 0.807 304 D N -0.235 120.167 120.400 0.003 0.000 2.441 304 D HA 0.377 5.016 4.640 -0.002 0.000 0.231 304 D C 1.161 177.474 176.300 0.021 0.000 1.073 304 D CA -0.722 53.284 54.000 0.011 0.000 0.850 304 D CB 1.368 42.169 40.800 0.002 0.000 1.062 304 D HN -0.171 nan 8.370 nan 0.000 0.524 305 A N 3.048 125.883 122.820 0.024 0.000 2.032 305 A HA -0.219 4.100 4.320 -0.002 0.000 0.221 305 A C 2.352 179.959 177.584 0.037 0.000 1.165 305 A CA 1.308 53.363 52.037 0.029 0.000 0.645 305 A CB -0.697 18.319 19.000 0.026 0.000 0.807 305 A HN 0.764 nan 8.150 nan 0.000 0.453 306 C N -0.443 118.880 119.300 0.038 0.000 2.413 306 C HA -0.088 4.371 4.460 -0.002 0.000 0.277 306 C C 2.543 177.567 174.990 0.057 0.000 1.265 306 C CA 1.215 60.259 59.018 0.044 0.000 1.752 306 C CB -0.985 26.782 27.740 0.045 0.000 1.998 306 C HN 0.604 nan 8.230 nan 0.000 0.489 307 E N 0.224 120.461 120.200 0.061 0.000 2.285 307 E HA 0.021 4.370 4.350 -0.002 0.000 0.194 307 E C 0.493 177.172 176.600 0.131 0.000 0.997 307 E CA 0.329 56.784 56.400 0.091 0.000 0.845 307 E CB -0.317 29.422 29.700 0.066 0.000 0.782 307 E HN 0.404 nan 8.360 nan 0.000 0.491 308 L N 1.409 122.691 121.223 0.098 0.000 2.704 308 L HA 0.071 4.410 4.340 -0.002 0.000 0.279 308 L C 1.196 178.142 176.870 0.126 0.000 1.147 308 L CA 0.986 55.892 54.840 0.112 0.000 0.994 308 L CB -0.972 41.129 42.059 0.070 0.000 1.332 308 L HN 0.271 nan 8.230 nan 0.000 0.471 309 G N 3.081 112.015 108.800 0.223 0.000 2.246 309 G HA2 -0.381 3.578 3.960 -0.002 0.000 0.273 309 G HA3 -0.381 3.578 3.960 -0.002 0.000 0.273 309 G C 1.309 176.190 174.900 -0.031 0.000 1.055 309 G CA 0.723 45.886 45.100 0.105 0.000 0.851 309 G HN 0.764 nan 8.290 nan 0.000 0.500 310 R N -0.645 119.888 120.500 0.055 0.000 2.105 310 R HA 0.129 4.468 4.340 -0.002 0.000 0.239 310 R C 1.863 178.103 176.300 -0.100 0.000 1.135 310 R CA 2.049 58.152 56.100 0.007 0.000 0.967 310 R CB -0.228 30.119 30.300 0.079 0.000 0.861 310 R HN 0.530 nan 8.270 nan 0.000 0.442 311 L N -0.935 120.122 121.223 -0.276 0.000 2.858 311 L HA 0.369 4.708 4.340 -0.002 0.000 0.251 311 L C 0.111 176.718 176.870 -0.437 0.000 1.149 311 L CA -0.313 54.351 54.840 -0.294 0.000 0.955 311 L CB 0.596 42.555 42.059 -0.166 0.000 1.289 311 L HN 0.257 nan 8.230 nan 0.000 0.542 312 Q N -0.308 119.131 119.800 -0.601 0.000 2.479 312 Q HA 0.426 4.765 4.340 -0.002 0.000 0.276 312 Q C -0.532 175.285 176.000 -0.305 0.000 0.989 312 Q CA -0.574 54.935 55.803 -0.490 0.000 0.864 312 Q CB 2.306 30.627 28.738 -0.695 0.000 1.444 312 Q HN 0.130 nan 8.270 nan 0.000 0.388 313 G N 2.763 111.462 108.800 -0.169 0.000 2.380 313 G HA2 0.407 4.366 3.960 -0.002 0.000 0.242 313 G HA3 0.407 4.366 3.960 -0.002 0.000 0.242 313 G C -0.037 174.858 174.900 -0.009 0.000 1.298 313 G CA 0.004 45.058 45.100 -0.078 0.000 0.878 313 G HN 0.591 nan 8.290 nan 0.000 0.542 314 I N -0.475 120.110 120.570 0.026 0.000 3.067 314 I HA 0.803 4.972 4.170 -0.002 0.000 0.312 314 I C 0.812 176.959 176.117 0.051 0.000 1.073 314 I CA -1.313 60.032 61.300 0.076 0.000 1.016 314 I CB 2.267 40.343 38.000 0.127 0.000 1.227 314 I HN 0.428 nan 8.210 nan 0.000 0.456 315 A N 2.673 125.527 122.820 0.057 0.000 2.014 315 A HA 0.480 4.799 4.320 -0.002 0.000 0.210 315 A C 0.346 177.953 177.584 0.038 0.000 1.188 315 A CA 0.600 52.662 52.037 0.041 0.000 0.731 315 A CB 0.130 19.154 19.000 0.041 0.000 0.858 315 A HN 0.653 nan 8.150 nan 0.000 0.464 316 L N -1.180 120.071 121.223 0.046 0.000 2.543 316 L HA 0.681 5.020 4.340 -0.002 0.000 0.265 316 L C -0.596 176.300 176.870 0.044 0.000 0.945 316 L CA -0.071 54.793 54.840 0.040 0.000 0.869 316 L CB 1.594 43.676 42.059 0.038 0.000 1.294 316 L HN 0.111 nan 8.230 nan 0.000 0.405 317 G N 5.795 114.617 108.800 0.037 0.000 2.574 317 G HA2 0.659 4.618 3.960 -0.002 0.000 0.306 317 G HA3 0.659 4.618 3.960 -0.002 0.000 0.306 317 G C -1.174 173.742 174.900 0.027 0.000 1.334 317 G CA -0.309 44.814 45.100 0.039 0.000 0.954 317 G HN 0.536 nan 8.290 nan 0.000 0.500 318 I N 2.529 123.113 120.570 0.023 0.000 2.389 318 I HA 0.283 4.452 4.170 -0.002 0.000 0.288 318 I C -0.101 176.022 176.117 0.010 0.000 0.999 318 I CA -1.191 60.117 61.300 0.013 0.000 1.129 318 I CB 2.346 40.351 38.000 0.007 0.000 1.288 318 I HN 0.269 nan 8.210 nan 0.000 0.444 319 V N 6.887 126.807 119.914 0.009 0.000 2.348 319 V HA 0.907 5.026 4.120 -0.002 0.000 0.270 319 V C -0.068 176.027 176.094 0.001 0.000 1.037 319 V CA 0.299 62.602 62.300 0.006 0.000 0.872 319 V CB 0.480 32.309 31.823 0.010 0.000 1.002 319 V HN 0.902 nan 8.190 nan 0.000 0.464 320 A N 4.365 127.183 122.820 -0.003 0.000 2.564 320 A HA 0.599 4.918 4.320 -0.002 0.000 0.291 320 A C -1.149 176.429 177.584 -0.010 0.000 1.102 320 A CA -0.524 51.509 52.037 -0.007 0.000 0.660 320 A CB 1.110 20.103 19.000 -0.011 0.000 1.283 320 A HN 0.880 nan 8.150 nan 0.000 0.430 321 D N -0.423 119.971 120.400 -0.009 0.000 2.302 321 D HA 0.410 5.049 4.640 -0.002 0.000 0.248 321 D C 1.082 177.371 176.300 -0.018 0.000 1.094 321 D CA 0.079 54.073 54.000 -0.010 0.000 0.897 321 D CB 1.314 42.112 40.800 -0.003 0.000 1.200 321 D HN 0.194 nan 8.370 nan 0.000 0.429 322 V N 3.736 123.637 119.914 -0.021 0.000 2.307 322 V HA -0.059 4.060 4.120 -0.002 0.000 0.245 322 V C 2.307 178.382 176.094 -0.030 0.000 1.045 322 V CA 2.155 64.439 62.300 -0.028 0.000 1.024 322 V CB -0.865 30.943 31.823 -0.026 0.000 0.651 322 V HN 0.833 nan 8.190 nan 0.000 0.449 323 G N 0.110 108.899 108.800 -0.020 0.000 2.418 323 G HA2 -0.170 3.789 3.960 -0.002 0.000 0.217 323 G HA3 -0.170 3.789 3.960 -0.002 0.000 0.217 323 G C 1.633 176.523 174.900 -0.017 0.000 1.158 323 G CA 0.979 46.070 45.100 -0.014 0.000 0.771 323 G HN 0.584 nan 8.290 nan 0.000 0.545 324 G N 0.130 108.923 108.800 -0.011 0.000 2.418 324 G HA2 -0.130 3.829 3.960 -0.002 0.000 0.217 324 G HA3 -0.130 3.829 3.960 -0.002 0.000 0.217 324 G C 1.849 176.723 174.900 -0.044 0.000 1.158 324 G CA 1.748 46.840 45.100 -0.014 0.000 0.771 324 G HN 0.389 nan 8.290 nan 0.000 0.545 325 T N 1.407 115.927 114.554 -0.056 0.000 2.708 325 T HA -0.054 4.296 4.350 -0.002 0.000 0.266 325 T C 2.388 177.000 174.700 -0.147 0.000 1.037 325 T CA 1.009 63.056 62.100 -0.089 0.000 1.146 325 T CB -0.179 68.642 68.868 -0.077 0.000 0.865 325 T HN 0.238 nan 8.240 nan 0.000 0.435 326 I N 0.824 121.313 120.570 -0.135 0.000 2.163 326 I HA -0.209 3.960 4.170 -0.002 0.000 0.243 326 I C 2.753 178.770 176.117 -0.167 0.000 1.085 326 I CA 1.387 62.581 61.300 -0.178 0.000 1.347 326 I CB -0.343 37.606 38.000 -0.085 0.000 1.044 326 I HN 0.205 nan 8.210 nan 0.000 0.408 327 E N 1.012 121.156 120.200 -0.095 0.000 2.085 327 E HA -0.233 4.116 4.350 -0.002 0.000 0.194 327 E C 2.129 178.677 176.600 -0.087 0.000 0.994 327 E CA 1.762 58.121 56.400 -0.068 0.000 0.801 327 E CB -0.180 29.497 29.700 -0.037 0.000 0.743 327 E HN 0.475 nan 8.360 nan 0.000 0.453 328 A N -0.171 122.588 122.820 -0.102 0.000 1.968 328 A HA -0.074 4.245 4.320 -0.002 0.000 0.217 328 A C 2.188 179.695 177.584 -0.129 0.000 1.169 328 A CA 0.985 52.966 52.037 -0.093 0.000 0.638 328 A CB -0.509 18.444 19.000 -0.078 0.000 0.812 328 A HN 0.290 nan 8.150 nan 0.000 0.446 329 L N -0.792 120.280 121.223 -0.252 0.000 2.093 329 L HA -0.158 4.181 4.340 -0.002 0.000 0.208 329 L C 3.067 179.788 176.870 -0.249 0.000 1.085 329 L CA 0.989 55.579 54.840 -0.418 0.000 0.755 329 L CB -0.475 40.958 42.059 -1.044 0.000 0.904 329 L HN 0.418 nan 8.230 nan 0.000 0.435 330 A N -0.635 122.085 122.820 -0.167 0.000 1.902 330 A HA -0.275 4.044 4.320 -0.002 0.000 0.217 330 A C 2.278 179.879 177.584 0.029 0.000 1.181 330 A CA 1.770 53.812 52.037 0.009 0.000 0.623 330 A CB -0.566 18.443 19.000 0.014 0.000 0.818 330 A HN 0.469 nan 8.150 nan 0.000 0.443 331 Q N -0.642 119.156 119.800 -0.003 0.000 2.084 331 Q HA -0.145 4.194 4.340 -0.002 0.000 0.202 331 Q C 2.195 178.219 176.000 0.039 0.000 0.978 331 Q CA 1.583 57.393 55.803 0.012 0.000 0.844 331 Q CB -0.308 28.425 28.738 -0.010 0.000 0.898 331 Q HN 0.612 nan 8.270 nan 0.000 0.426 332 A N -0.567 122.279 122.820 0.043 0.000 2.015 332 A HA -0.108 4.211 4.320 -0.002 0.000 0.219 332 A C 2.078 179.753 177.584 0.152 0.000 1.163 332 A CA 1.710 53.797 52.037 0.084 0.000 0.646 332 A CB -0.549 18.499 19.000 0.081 0.000 0.806 332 A HN 0.400 nan 8.150 nan 0.000 0.448 333 T N -1.107 113.550 114.554 0.172 0.000 3.081 333 T HA 0.314 4.663 4.350 -0.002 0.000 0.255 333 T C 1.831 176.642 174.700 0.185 0.000 1.113 333 T CA 0.918 63.167 62.100 0.248 0.000 1.082 333 T CB -0.224 68.795 68.868 0.253 0.000 0.939 333 T HN 0.495 nan 8.240 nan 0.000 0.506 334 A N 1.068 123.962 122.820 0.123 0.000 1.930 334 A HA -0.026 4.293 4.320 -0.002 0.000 0.215 334 A C 2.303 179.942 177.584 0.091 0.000 1.176 334 A CA 0.747 52.840 52.037 0.092 0.000 0.632 334 A CB -0.205 18.831 19.000 0.061 0.000 0.819 334 A HN 0.506 nan 8.150 nan 0.000 0.445 335 Q N -0.035 119.820 119.800 0.091 0.000 2.123 335 Q HA -0.149 4.190 4.340 -0.002 0.000 0.199 335 Q C 1.364 177.419 176.000 0.091 0.000 0.966 335 Q CA 1.359 57.207 55.803 0.075 0.000 0.845 335 Q CB -0.419 28.356 28.738 0.061 0.000 0.907 335 Q HN 0.646 nan 8.270 nan 0.000 0.439 336 D N 0.741 121.226 120.400 0.141 0.000 2.087 336 D HA -0.073 4.566 4.640 -0.002 0.000 0.203 336 D C 0.923 177.316 176.300 0.156 0.000 0.976 336 D CA 2.214 56.307 54.000 0.155 0.000 0.865 336 D CB -0.128 40.843 40.800 0.286 0.000 1.005 336 D HN 0.211 nan 8.370 nan 0.000 0.449 337 A N -1.352 121.647 122.820 0.297 0.000 2.945 337 A HA -0.133 4.186 4.320 -0.002 0.000 0.263 337 A C 0.741 178.453 177.584 0.213 0.000 1.293 337 A CA 1.547 53.750 52.037 0.277 0.000 0.944 337 A CB -2.232 16.857 19.000 0.149 0.000 1.093 337 A HN 0.802 nan 8.150 nan 0.000 0.786 338 A N -1.007 121.857 122.820 0.075 0.000 2.801 338 A HA 0.563 4.882 4.320 -0.002 0.000 0.344 338 A C -0.600 176.865 177.584 -0.199 0.000 1.322 338 A CA -0.185 51.825 52.037 -0.045 0.000 0.913 338 A CB -0.153 18.784 19.000 -0.106 0.000 1.140 338 A HN 0.883 nan 8.150 nan 0.000 0.487 339 W N 1.774 123.080 121.300 0.010 0.000 2.702 339 W HA 0.572 5.231 4.660 -0.002 0.000 0.331 339 W C -2.155 174.368 176.519 0.007 0.000 1.049 339 W CA -1.818 55.532 57.345 0.009 0.000 1.230 339 W CB 0.994 30.456 29.460 0.002 0.000 1.408 339 W HN 0.440 nan 8.180 nan 0.000 0.492 340 P HA -0.004 nan 4.420 nan 0.000 0.269 340 P C 0.515 177.903 177.300 0.147 0.000 1.215 340 P CA 0.007 63.187 63.100 0.133 0.000 0.780 340 P CB 0.997 32.759 31.700 0.103 0.000 0.898 341 D N 1.608 122.069 120.400 0.102 0.000 2.120 341 D HA -0.252 4.387 4.640 -0.002 0.000 0.191 341 D C 0.564 176.924 176.300 0.100 0.000 0.994 341 D CA 1.540 55.594 54.000 0.089 0.000 0.838 341 D CB 0.094 40.935 40.800 0.068 0.000 0.976 341 D HN 0.241 nan 8.370 nan 0.000 0.447 342 R N -1.894 118.678 120.500 0.120 0.000 3.954 342 R HA -0.124 4.215 4.340 -0.002 0.000 0.422 342 R C 1.428 177.818 176.300 0.150 0.000 1.091 342 R CA 0.838 57.041 56.100 0.171 0.000 1.168 342 R CB -2.501 27.908 30.300 0.182 0.000 1.752 342 R HN 0.437 nan 8.270 nan 0.000 0.547 343 G N 1.009 109.868 108.800 0.098 0.000 2.421 343 G HA2 -0.270 3.689 3.960 -0.002 0.000 0.216 343 G HA3 -0.270 3.689 3.960 -0.002 0.000 0.216 343 G C 1.073 176.018 174.900 0.075 0.000 1.171 343 G CA 1.149 46.287 45.100 0.064 0.000 0.775 343 G HN 0.294 nan 8.290 nan 0.000 0.543 344 D N -0.494 119.971 120.400 0.107 0.000 2.117 344 D HA -0.121 4.518 4.640 -0.002 0.000 0.197 344 D C 1.883 178.297 176.300 0.190 0.000 0.987 344 D CA 0.648 54.721 54.000 0.122 0.000 0.829 344 D CB -0.461 40.412 40.800 0.121 0.000 0.961 344 D HN 0.590 nan 8.370 nan 0.000 0.460 345 W N 0.992 122.313 121.300 0.035 0.000 2.388 345 W HA -0.212 4.447 4.660 -0.001 0.000 0.294 345 W C 1.795 178.354 176.519 0.066 0.000 1.212 345 W CA 0.591 57.971 57.345 0.058 0.000 1.271 345 W CB -0.235 29.265 29.460 0.068 0.000 1.126 345 W HN -0.014 nan 8.180 nan 0.000 0.535 346 C N 0.834 120.079 119.300 -0.092 0.000 2.440 346 C HA -0.097 4.362 4.460 -0.002 0.000 0.278 346 C C 3.178 178.060 174.990 -0.179 0.000 1.295 346 C CA 1.650 60.535 59.018 -0.222 0.000 1.738 346 C CB -1.526 26.147 27.740 -0.112 0.000 1.987 346 C HN 0.489 nan 8.230 nan 0.000 0.492 347 A N 0.447 123.215 122.820 -0.086 0.000 1.933 347 A HA -0.209 4.110 4.320 -0.002 0.000 0.218 347 A C 2.066 179.598 177.584 -0.087 0.000 1.175 347 A CA 2.191 54.187 52.037 -0.067 0.000 0.628 347 A CB -0.447 18.539 19.000 -0.022 0.000 0.814 347 A HN 0.561 nan 8.150 nan 0.000 0.444 348 K N -0.180 120.168 120.400 -0.087 0.000 2.025 348 K HA -0.053 4.266 4.320 -0.002 0.000 0.207 348 K C 1.709 178.175 176.600 -0.223 0.000 1.049 348 K CA 1.722 57.944 56.287 -0.109 0.000 0.933 348 K CB -0.612 31.902 32.500 0.022 0.000 0.714 348 K HN 0.162 nan 8.250 nan 0.000 0.438 349 V N 0.526 120.246 119.914 -0.323 0.000 2.255 349 V HA -0.298 3.821 4.120 -0.002 0.000 0.247 349 V C 2.181 178.224 176.094 -0.085 0.000 1.051 349 V CA 2.410 64.610 62.300 -0.167 0.000 1.018 349 V CB -0.809 30.852 31.823 -0.270 0.000 0.641 349 V HN 0.488 nan 8.190 nan 0.000 0.445 350 T N -0.358 114.116 114.554 -0.133 0.000 2.665 350 T HA -0.232 4.117 4.350 -0.002 0.000 0.268 350 T C 1.653 176.310 174.700 -0.072 0.000 1.035 350 T CA 1.968 64.007 62.100 -0.101 0.000 1.151 350 T CB -0.433 68.371 68.868 -0.107 0.000 0.862 350 T HN 0.505 nan 8.240 nan 0.000 0.438 351 D N 0.702 121.053 120.400 -0.081 0.000 2.144 351 D HA 0.002 4.641 4.640 -0.002 0.000 0.199 351 D C 2.099 178.362 176.300 -0.063 0.000 0.984 351 D CA 0.647 54.608 54.000 -0.064 0.000 0.834 351 D CB -0.348 40.414 40.800 -0.064 0.000 0.955 351 D HN 0.331 nan 8.370 nan 0.000 0.465 352 L N 0.393 121.552 121.223 -0.106 0.000 2.056 352 L HA -0.086 4.253 4.340 -0.002 0.000 0.207 352 L C 2.457 179.337 176.870 0.016 0.000 1.078 352 L CA 0.982 55.753 54.840 -0.115 0.000 0.749 352 L CB -0.311 41.529 42.059 -0.366 0.000 0.901 352 L HN -0.024 nan 8.230 nan 0.000 0.433 353 A N -0.362 122.495 122.820 0.062 0.000 1.902 353 A HA -0.277 4.042 4.320 -0.002 0.000 0.217 353 A C 2.196 179.839 177.584 0.099 0.000 1.181 353 A CA 1.845 53.948 52.037 0.109 0.000 0.623 353 A CB -0.510 18.539 19.000 0.083 0.000 0.818 353 A HN 0.405 nan 8.150 nan 0.000 0.443 354 Q N 0.051 119.880 119.800 0.047 0.000 2.224 354 Q HA -0.129 4.210 4.340 -0.002 0.000 0.203 354 Q C 1.781 177.843 176.000 0.104 0.000 0.970 354 Q CA 2.089 57.925 55.803 0.054 0.000 0.865 354 Q CB -0.346 28.390 28.738 -0.005 0.000 0.922 354 Q HN 0.748 nan 8.270 nan 0.000 0.445 355 E N -0.445 119.796 120.200 0.068 0.000 2.072 355 E HA -0.171 4.178 4.350 -0.002 0.000 0.191 355 E C 1.994 178.643 176.600 0.082 0.000 0.985 355 E CA 0.595 57.031 56.400 0.060 0.000 0.801 355 E CB -0.039 29.674 29.700 0.022 0.000 0.750 355 E HN 0.287 nan 8.360 nan 0.000 0.452 356 R N -0.325 120.236 120.500 0.102 0.000 2.070 356 R HA -0.209 4.130 4.340 -0.002 0.000 0.233 356 R C 2.291 178.654 176.300 0.105 0.000 1.137 356 R CA 1.758 57.917 56.100 0.098 0.000 0.945 356 R CB -0.531 29.844 30.300 0.124 0.000 0.845 356 R HN 0.277 nan 8.270 nan 0.000 0.430 357 Y N 0.589 120.921 120.300 0.053 0.000 2.081 357 Y HA -0.306 4.243 4.550 -0.002 0.000 0.280 357 Y C 2.186 178.123 175.900 0.061 0.000 1.163 357 Y CA 2.231 60.386 58.100 0.092 0.000 1.135 357 Y CB -0.372 38.164 38.460 0.127 0.000 0.970 357 Y HN 0.242 nan 8.280 nan 0.000 0.498 358 A N -1.303 121.666 122.820 0.247 0.000 1.969 358 A HA -0.170 4.149 4.320 -0.002 0.000 0.218 358 A C 2.430 180.023 177.584 0.014 0.000 1.169 358 A CA 1.720 53.846 52.037 0.147 0.000 0.635 358 A CB -1.253 17.833 19.000 0.143 0.000 0.810 358 A HN 0.532 nan 8.150 nan 0.000 0.445 359 S N -0.062 115.634 115.700 -0.007 0.000 2.356 359 S HA -0.136 4.333 4.470 -0.002 0.000 0.223 359 S C 1.946 176.468 174.600 -0.131 0.000 1.032 359 S CA 1.461 59.634 58.200 -0.046 0.000 1.005 359 S CB -0.465 62.722 63.200 -0.021 0.000 0.867 359 S HN 0.383 nan 8.310 nan 0.000 0.449 360 I N 2.474 122.903 120.570 -0.235 0.000 2.163 360 I HA -0.145 4.024 4.170 -0.002 0.000 0.243 360 I C 2.932 178.716 176.117 -0.555 0.000 1.085 360 I CA 1.566 62.591 61.300 -0.457 0.000 1.347 360 I CB -2.097 35.421 38.000 -0.803 0.000 1.044 360 I HN 0.425 nan 8.210 nan 0.000 0.408 361 A N 0.876 123.432 122.820 -0.439 0.000 1.930 361 A HA -0.005 4.314 4.320 -0.002 0.000 0.217 361 A C 2.458 179.990 177.584 -0.087 0.000 1.175 361 A CA 1.681 53.611 52.037 -0.178 0.000 0.627 361 A CB -0.684 18.338 19.000 0.037 0.000 0.815 361 A HN 0.430 nan 8.150 nan 0.000 0.443 362 A N -1.040 121.734 122.820 -0.078 0.000 2.168 362 A HA 0.026 4.345 4.320 -0.002 0.000 0.215 362 A C 1.885 179.436 177.584 -0.055 0.000 1.152 362 A CA 1.324 53.340 52.037 -0.036 0.000 0.716 362 A CB -0.202 18.787 19.000 -0.018 0.000 0.794 362 A HN 0.492 nan 8.150 nan 0.000 0.465 363 K N -0.287 120.045 120.400 -0.113 0.000 2.355 363 K HA 0.173 4.492 4.320 -0.002 0.000 0.198 363 K C -0.336 176.172 176.600 -0.152 0.000 1.039 363 K CA 0.031 56.260 56.287 -0.097 0.000 1.075 363 K CB 0.584 33.037 32.500 -0.078 0.000 0.870 363 K HN 0.294 nan 8.250 nan 0.000 0.540 364 S N 0.920 116.436 115.700 -0.307 0.000 2.438 364 S HA 0.238 4.707 4.470 -0.002 0.000 0.293 364 S C -0.469 173.978 174.600 -0.256 0.000 1.141 364 S CA -0.524 57.275 58.200 -0.668 0.000 1.080 364 S CB 1.669 64.131 63.200 -1.230 0.000 0.978 364 S HN 0.064 nan 8.310 nan 0.000 0.479 365 S N 1.882 117.546 115.700 -0.061 0.000 2.513 365 S HA 0.539 5.008 4.470 -0.002 0.000 0.299 365 S C 0.209 174.949 174.600 0.234 0.000 1.087 365 S CA -0.626 57.660 58.200 0.143 0.000 1.012 365 S CB 1.583 64.847 63.200 0.106 0.000 1.044 365 S HN 0.460 nan 8.310 nan 0.000 0.485 366 S N 2.098 117.939 115.700 0.235 0.000 2.650 366 S HA 0.217 4.686 4.470 -0.002 0.000 0.240 366 S C 0.078 174.742 174.600 0.108 0.000 1.007 366 S CA -0.415 57.904 58.200 0.198 0.000 0.984 366 S CB -0.017 63.310 63.200 0.211 0.000 0.910 366 S HN 0.815 nan 8.310 nan 0.000 0.509 367 E N 1.124 121.390 120.200 0.110 0.000 2.351 367 E HA 0.003 4.352 4.350 -0.002 0.000 0.266 367 E C 0.030 176.748 176.600 0.197 0.000 1.031 367 E CA 0.332 56.802 56.400 0.117 0.000 0.911 367 E CB 0.079 29.865 29.700 0.144 0.000 0.986 367 E HN 0.442 nan 8.360 nan 0.000 0.446 368 H N 0.604 119.691 119.070 0.028 0.000 3.641 368 H HA -0.251 4.304 4.556 -0.002 0.000 0.193 368 H C -0.860 174.481 175.328 0.022 0.000 1.013 368 H CA 1.334 57.396 56.048 0.023 0.000 1.212 368 H CB -1.211 28.564 29.762 0.022 0.000 1.089 368 H HN 0.615 nan 8.280 nan 0.000 0.339 369 A N -0.311 122.568 122.820 0.099 0.000 2.585 369 A HA 0.485 4.804 4.320 -0.002 0.000 0.299 369 A C -1.313 176.302 177.584 0.051 0.000 1.047 369 A CA -0.563 51.508 52.037 0.057 0.000 0.723 369 A CB 0.719 19.750 19.000 0.052 0.000 1.275 369 A HN 0.274 nan 8.150 nan 0.000 0.408 370 L N 2.469 123.704 121.223 0.019 0.000 2.433 370 L HA 0.356 4.695 4.340 -0.002 0.000 0.275 370 L C 0.404 177.286 176.870 0.019 0.000 1.128 370 L CA 0.565 55.427 54.840 0.036 0.000 0.875 370 L CB -0.297 41.754 42.059 -0.012 0.000 1.171 370 L HN 0.778 nan 8.230 nan 0.000 0.463 371 H N 6.927 125.990 119.070 -0.011 0.000 2.803 371 H HA 0.185 4.740 4.556 -0.002 0.000 0.330 371 H C -1.717 173.447 175.328 -0.273 0.000 1.057 371 H CA -0.941 55.004 56.048 -0.172 0.000 1.458 371 H CB 1.116 30.730 29.762 -0.247 0.000 1.470 371 H HN 0.554 nan 8.280 nan 0.000 0.560 372 P HA -0.224 nan 4.420 nan 0.000 0.216 372 P C 1.114 178.246 177.300 -0.280 0.000 1.150 372 P CA 1.269 64.076 63.100 -0.488 0.000 0.843 372 P CB -0.027 31.058 31.700 -1.025 0.000 0.787 373 F N -0.477 119.222 119.950 -0.418 0.000 2.102 373 F HA -0.245 4.281 4.527 -0.001 0.000 0.298 373 F C 2.449 178.182 175.800 -0.111 0.000 1.105 373 F CA 1.539 59.389 58.000 -0.250 0.000 1.239 373 F CB -0.413 38.345 39.000 -0.403 0.000 0.991 373 F HN -0.022 nan 8.300 nan 0.000 0.474 374 H N 0.083 119.115 119.070 -0.063 0.000 2.387 374 H HA -0.111 4.444 4.556 -0.001 0.000 0.299 374 H C 2.340 177.629 175.328 -0.065 0.000 1.099 374 H CA 1.213 57.196 56.048 -0.109 0.000 1.315 374 H CB -1.055 28.698 29.762 -0.015 0.000 1.380 374 H HN 0.420 nan 8.280 nan 0.000 0.513 375 A N 0.363 123.244 122.820 0.101 0.000 1.930 375 A HA -0.132 4.187 4.320 -0.002 0.000 0.217 375 A C 2.699 180.387 177.584 0.174 0.000 1.175 375 A CA 1.619 53.755 52.037 0.165 0.000 0.627 375 A CB -0.499 18.518 19.000 0.028 0.000 0.815 375 A HN 0.353 nan 8.150 nan 0.000 0.443 376 S N -0.269 115.454 115.700 0.038 0.000 2.382 376 S HA -0.206 4.263 4.470 -0.002 0.000 0.228 376 S C 2.068 176.645 174.600 -0.039 0.000 1.027 376 S CA 1.505 59.720 58.200 0.026 0.000 0.991 376 S CB -0.324 62.888 63.200 0.021 0.000 0.823 376 S HN 0.695 nan 8.310 nan 0.000 0.469 377 Q N 0.360 120.065 119.800 -0.157 0.000 2.124 377 Q HA -0.084 4.255 4.340 -0.002 0.000 0.202 377 Q C 2.242 178.203 176.000 -0.065 0.000 0.977 377 Q CA 1.271 56.987 55.803 -0.144 0.000 0.850 377 Q CB -0.331 28.287 28.738 -0.201 0.000 0.901 377 Q HN 0.371 nan 8.270 nan 0.000 0.429 378 V N 0.906 120.797 119.914 -0.038 0.000 2.343 378 V HA -0.268 3.851 4.120 -0.002 0.000 0.247 378 V C 2.069 178.111 176.094 -0.088 0.000 1.051 378 V CA 1.595 63.834 62.300 -0.101 0.000 1.036 378 V CB -0.419 31.292 31.823 -0.186 0.000 0.654 378 V HN 0.355 nan 8.190 nan 0.000 0.451 379 I N 0.417 120.974 120.570 -0.022 0.000 2.252 379 I HA -0.192 3.977 4.170 -0.002 0.000 0.245 379 I C 2.680 178.826 176.117 0.050 0.000 1.102 379 I CA 1.306 62.620 61.300 0.025 0.000 1.385 379 I CB -0.633 37.416 38.000 0.082 0.000 1.064 379 I HN 0.271 nan 8.210 nan 0.000 0.414 380 A N 1.968 124.797 122.820 0.016 0.000 1.948 380 A HA -0.257 4.062 4.320 -0.002 0.000 0.220 380 A C 2.199 179.762 177.584 -0.035 0.000 1.177 380 A CA 2.111 54.146 52.037 -0.003 0.000 0.636 380 A CB -0.684 18.311 19.000 -0.008 0.000 0.815 380 A HN 0.591 nan 8.150 nan 0.000 0.449 381 K N -1.499 118.852 120.400 -0.081 0.000 2.555 381 K HA -0.059 4.260 4.320 -0.002 0.000 0.193 381 K C 0.897 177.326 176.600 -0.284 0.000 1.032 381 K CA 1.217 57.395 56.287 -0.183 0.000 1.004 381 K CB -0.253 32.109 32.500 -0.230 0.000 0.804 381 K HN 0.643 nan 8.250 nan 0.000 0.496 382 H N 0.364 119.383 119.070 -0.084 0.000 2.652 382 H HA 0.174 4.729 4.556 -0.002 0.000 0.274 382 H C -0.197 175.099 175.328 -0.054 0.000 1.021 382 H CA -0.153 55.849 56.048 -0.077 0.000 1.187 382 H CB 0.842 30.547 29.762 -0.094 0.000 1.505 382 H HN -0.071 nan 8.280 nan 0.000 0.530 383 V N 4.192 124.132 119.914 0.043 0.000 2.432 383 V HA 0.125 4.244 4.120 -0.002 0.000 0.271 383 V C 0.150 176.241 176.094 -0.006 0.000 1.046 383 V CA -0.059 62.254 62.300 0.022 0.000 0.945 383 V CB 1.048 32.878 31.823 0.013 0.000 0.992 383 V HN 0.491 nan 8.190 nan 0.000 0.471 384 D N 4.166 124.565 120.400 -0.001 0.000 3.103 384 D HA 0.394 5.033 4.640 -0.002 0.000 0.337 384 D C 0.816 177.112 176.300 -0.006 0.000 1.356 384 D CA 0.014 54.006 54.000 -0.013 0.000 0.951 384 D CB 1.124 41.911 40.800 -0.021 0.000 1.438 384 D HN 0.371 nan 8.370 nan 0.000 0.562 385 A N -0.580 122.234 122.820 -0.011 0.000 2.076 385 A HA 0.204 4.523 4.320 -0.002 0.000 0.220 385 A C 1.791 179.373 177.584 -0.003 0.000 1.160 385 A CA 1.879 53.911 52.037 -0.008 0.000 0.653 385 A CB -1.294 17.698 19.000 -0.012 0.000 0.801 385 A HN 0.676 nan 8.150 nan 0.000 0.455 386 G N -1.148 107.651 108.800 -0.001 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 -0.193 174.710 174.900 0.005 0.000 1.184 386 G CA 0.297 45.398 45.100 0.002 0.000 0.806 386 G HN 0.238 nan 8.290 nan 0.000 0.536 387 V N 0.071 119.990 119.914 0.008 0.000 2.686 387 V HA 0.441 4.560 4.120 -0.002 0.000 0.306 387 V C -0.469 175.635 176.094 0.017 0.000 1.065 387 V CA -0.676 61.631 62.300 0.012 0.000 0.894 387 V CB 2.180 34.015 31.823 0.019 0.000 1.004 387 V HN 0.058 nan 8.190 nan 0.000 0.424 388 T N 3.863 118.423 114.554 0.010 0.000 2.767 388 T HA 0.580 4.929 4.350 -0.002 0.000 0.284 388 T C -0.370 174.339 174.700 0.016 0.000 0.973 388 T CA -0.327 61.780 62.100 0.012 0.000 0.996 388 T CB 1.519 70.377 68.868 -0.015 0.000 0.927 388 T HN 0.359 nan 8.240 nan 0.000 0.456 389 V N 4.460 124.409 119.914 0.058 0.000 2.398 389 V HA 0.463 4.582 4.120 -0.002 0.000 0.286 389 V C -0.148 175.916 176.094 -0.050 0.000 1.026 389 V CA -0.665 61.675 62.300 0.067 0.000 0.868 389 V CB 1.678 33.636 31.823 0.225 0.000 0.982 389 V HN 0.694 nan 8.190 nan 0.000 0.443 390 V N 3.956 123.797 119.914 -0.121 0.000 2.459 390 V HA 0.848 4.967 4.120 -0.002 0.000 0.295 390 V C 0.235 176.176 176.094 -0.255 0.000 1.029 390 V CA -0.544 61.608 62.300 -0.248 0.000 0.874 390 V CB 1.667 33.359 31.823 -0.217 0.000 0.985 390 V HN 0.967 nan 8.190 nan 0.000 0.438 391 A N 3.146 125.728 122.820 -0.396 0.000 2.343 391 A HA 0.813 5.132 4.320 -0.002 0.000 0.316 391 A C -0.904 176.406 177.584 -0.457 0.000 1.104 391 A CA -0.400 51.443 52.037 -0.324 0.000 0.768 391 A CB 1.430 20.261 19.000 -0.281 0.000 1.213 391 A HN 0.758 nan 8.150 nan 0.000 0.456 392 D N 0.672 120.906 120.400 -0.276 0.000 2.566 392 D HA 0.606 5.245 4.640 -0.002 0.000 0.254 392 D C 0.620 176.973 176.300 0.088 0.000 1.090 392 D CA 0.759 54.602 54.000 -0.262 0.000 1.034 392 D CB 1.867 42.564 40.800 -0.171 0.000 1.434 392 D HN 1.481 nan 8.370 nan 0.000 0.509 393 G N 0.498 109.471 108.800 0.288 0.000 2.212 393 G HA2 0.181 4.140 3.960 -0.002 0.000 0.255 393 G HA3 0.181 4.140 3.960 -0.002 0.000 0.255 393 G C 0.903 175.993 174.900 0.317 0.000 1.062 393 G CA 0.962 46.237 45.100 0.292 0.000 0.815 393 G HN 1.475 nan 8.290 nan 0.000 0.497 394 A N -1.218 121.888 122.820 0.476 0.000 5.093 394 A HA -0.363 3.956 4.320 -0.002 0.000 0.329 394 A C 2.033 179.506 177.584 -0.185 0.000 1.836 394 A CA 2.527 54.649 52.037 0.141 0.000 0.707 394 A CB -1.553 17.518 19.000 0.118 0.000 1.389 394 A HN 1.354 nan 8.150 nan 0.000 0.383 395 L N -0.385 120.788 121.223 -0.083 0.000 2.081 395 L HA -0.212 4.127 4.340 -0.002 0.000 0.212 395 L C 2.813 179.713 176.870 0.051 0.000 1.080 395 L CA 2.351 57.146 54.840 -0.075 0.000 0.754 395 L CB -0.923 41.132 42.059 -0.006 0.000 0.893 395 L HN 0.868 nan 8.230 nan 0.000 0.433 396 T N -0.537 114.075 114.554 0.095 0.000 2.635 396 T HA -0.273 4.076 4.350 -0.002 0.000 0.267 396 T C 1.641 176.448 174.700 0.178 0.000 1.040 396 T CA 2.265 64.458 62.100 0.154 0.000 1.156 396 T CB -0.473 68.469 68.868 0.123 0.000 0.863 396 T HN 0.584 nan 8.240 nan 0.000 0.430 397 Y N 1.023 121.379 120.300 0.094 0.000 2.395 397 Y HA 0.276 4.825 4.550 -0.002 0.000 0.293 397 Y C 1.913 177.868 175.900 0.091 0.000 1.123 397 Y CA 0.281 58.419 58.100 0.062 0.000 1.227 397 Y CB -0.881 37.552 38.460 -0.044 0.000 1.012 397 Y HN 0.106 nan 8.280 nan 0.000 0.552 398 L N -1.109 119.845 121.223 -0.449 0.000 2.046 398 L HA -0.151 4.188 4.340 -0.002 0.000 0.208 398 L C 2.191 178.996 176.870 -0.109 0.000 1.077 398 L CA 1.612 56.259 54.840 -0.323 0.000 0.747 398 L CB -0.681 41.083 42.059 -0.492 0.000 0.896 398 L HN 0.317 nan 8.230 nan 0.000 0.432 399 W N -0.312 120.994 121.300 0.010 0.000 2.379 399 W HA -0.194 4.466 4.660 -0.001 0.000 0.307 399 W C 2.405 179.018 176.519 0.155 0.000 1.200 399 W CA 0.245 57.654 57.345 0.107 0.000 1.297 399 W CB -0.305 29.220 29.460 0.108 0.000 1.140 399 W HN 0.045 nan 8.180 nan 0.000 0.507 400 L N 1.097 122.536 121.223 0.359 0.000 2.079 400 L HA -0.253 4.086 4.340 -0.002 0.000 0.210 400 L C 2.629 179.642 176.870 0.239 0.000 1.081 400 L CA 2.487 57.491 54.840 0.273 0.000 0.752 400 L CB -1.115 41.093 42.059 0.249 0.000 0.896 400 L HN 0.015 nan 8.230 nan 0.000 0.433 401 S N -1.537 114.315 115.700 0.252 0.000 2.440 401 S HA -0.165 4.304 4.470 -0.002 0.000 0.238 401 S C 1.679 176.403 174.600 0.207 0.000 1.010 401 S CA 1.064 59.399 58.200 0.226 0.000 0.972 401 S CB -0.645 62.754 63.200 0.331 0.000 0.774 401 S HN 0.577 nan 8.310 nan 0.000 0.501 402 E N 1.197 121.556 120.200 0.266 0.000 2.347 402 E HA -0.007 4.342 4.350 -0.002 0.000 0.196 402 E C 2.027 178.861 176.600 0.390 0.000 1.008 402 E CA 1.140 57.734 56.400 0.324 0.000 0.852 402 E CB -0.059 29.881 29.700 0.398 0.000 0.783 402 E HN 0.773 nan 8.360 nan 0.000 0.505 403 V N -3.212 116.877 119.914 0.292 0.000 3.643 403 V HA 0.121 4.240 4.120 -0.002 0.000 0.280 403 V C 1.715 177.869 176.094 0.100 0.000 1.351 403 V CA 0.045 62.495 62.300 0.250 0.000 1.073 403 V CB 0.157 32.063 31.823 0.139 0.000 0.863 403 V HN -0.031 nan 8.190 nan 0.000 0.436 404 M N 0.610 120.230 119.600 0.033 0.000 2.419 404 M HA 0.110 4.589 4.480 -0.002 0.000 0.264 404 M C 2.183 178.417 176.300 -0.111 0.000 1.082 404 M CA 1.150 56.377 55.300 -0.122 0.000 1.119 404 M CB -0.930 31.460 32.600 -0.350 0.000 1.398 404 M HN 0.488 nan 8.290 nan 0.000 0.453 405 S N 0.919 116.599 115.700 -0.033 0.000 2.387 405 S HA -0.073 4.396 4.470 -0.002 0.000 0.226 405 S C 1.735 176.292 174.600 -0.071 0.000 1.026 405 S CA 0.910 59.084 58.200 -0.043 0.000 0.972 405 S CB -0.139 63.067 63.200 0.010 0.000 0.814 405 S HN 0.544 nan 8.310 nan 0.000 0.477 406 R N 1.409 121.867 120.500 -0.071 0.000 2.310 406 R HA 0.130 4.469 4.340 -0.002 0.000 0.202 406 R C 0.585 176.823 176.300 -0.103 0.000 0.933 406 R CA 0.157 56.190 56.100 -0.112 0.000 1.054 406 R CB -0.598 29.593 30.300 -0.180 0.000 0.985 406 R HN 0.380 nan 8.270 nan 0.000 0.489 407 V N -1.330 118.532 119.914 -0.087 0.000 3.093 407 V HA 0.467 4.586 4.120 -0.002 0.000 0.320 407 V C -0.485 175.562 176.094 -0.078 0.000 1.093 407 V CA -1.312 60.941 62.300 -0.078 0.000 1.016 407 V CB 1.808 33.592 31.823 -0.064 0.000 1.096 407 V HN 0.040 nan 8.190 nan 0.000 0.452 408 K N 2.260 122.622 120.400 -0.062 0.000 2.606 408 K HA 0.425 4.744 4.320 -0.002 0.000 0.196 408 K C -2.819 173.761 176.600 -0.034 0.000 1.048 408 K CA -1.452 54.804 56.287 -0.053 0.000 1.017 408 K CB 1.083 33.553 32.500 -0.050 0.000 1.413 408 K HN 0.568 nan 8.250 nan 0.000 0.568 409 P HA -0.005 nan 4.420 nan 0.000 0.271 409 P C 0.721 178.030 177.300 0.015 0.000 1.218 409 P CA 0.023 63.126 63.100 0.005 0.000 0.780 409 P CB 1.268 32.989 31.700 0.034 0.000 0.901 410 G N 1.849 110.659 108.800 0.017 0.000 2.408 410 G HA2 0.118 4.077 3.960 -0.002 0.000 0.217 410 G HA3 0.118 4.077 3.960 -0.002 0.000 0.217 410 G C 0.663 175.576 174.900 0.022 0.000 1.150 410 G CA 0.722 45.828 45.100 0.011 0.000 0.776 410 G HN 0.810 nan 8.290 nan 0.000 0.542 411 G N -1.676 107.151 108.800 0.045 0.000 2.696 411 G HA2 0.496 4.455 3.960 -0.002 0.000 0.295 411 G HA3 0.496 4.455 3.960 -0.002 0.000 0.295 411 G C -2.120 172.871 174.900 0.151 0.000 1.398 411 G CA -0.742 44.395 45.100 0.062 0.000 0.920 411 G HN 0.193 nan 8.290 nan 0.000 0.492 412 F N 1.821 121.750 119.950 -0.036 0.000 2.671 412 F HA 0.635 5.161 4.527 -0.002 0.000 0.332 412 F C -1.301 174.463 175.800 -0.061 0.000 1.189 412 F CA -1.155 56.820 58.000 -0.041 0.000 0.988 412 F CB 1.491 40.484 39.000 -0.012 0.000 1.258 412 F HN 0.311 nan 8.300 nan 0.000 0.471 413 L N 7.382 128.222 121.223 -0.639 0.000 2.353 413 L HA 0.499 4.838 4.340 -0.002 0.000 0.270 413 L C -0.511 175.903 176.870 -0.761 0.000 1.003 413 L CA -0.571 53.940 54.840 -0.548 0.000 0.862 413 L CB 1.229 43.098 42.059 -0.317 0.000 1.221 413 L HN 0.678 nan 8.230 nan 0.000 0.430 414 C N 1.179 120.013 119.300 -0.777 0.000 2.710 414 C HA 0.506 4.965 4.460 -0.002 0.000 0.367 414 C C 0.509 175.160 174.990 -0.564 0.000 1.315 414 C CA -0.473 58.042 59.018 -0.837 0.000 1.764 414 C CB 1.514 28.610 27.740 -1.073 0.000 2.182 414 C HN 0.789 nan 8.230 nan 0.000 0.491 415 H N 0.058 118.792 119.070 -0.561 0.000 2.972 415 H HA 0.366 4.921 4.556 -0.002 0.000 0.343 415 H C 0.839 176.072 175.328 -0.158 0.000 1.054 415 H CA 1.236 57.071 56.048 -0.354 0.000 1.412 415 H CB 0.600 30.123 29.762 -0.398 0.000 1.385 415 H HN 0.833 nan 8.280 nan 0.000 0.600 416 G N 0.841 109.670 108.800 0.049 0.000 2.782 416 G HA2 -0.024 3.935 3.960 -0.002 0.000 0.201 416 G HA3 -0.024 3.935 3.960 -0.002 0.000 0.201 416 G C -0.051 174.935 174.900 0.143 0.000 1.374 416 G CA -0.418 44.694 45.100 0.021 0.000 1.039 416 G HN 0.586 nan 8.290 nan 0.000 0.576 417 Y N -0.280 120.035 120.300 0.025 0.000 2.256 417 Y HA 0.002 4.551 4.550 -0.001 0.000 0.288 417 Y C 2.692 178.598 175.900 0.011 0.000 1.155 417 Y CA 0.139 58.252 58.100 0.021 0.000 1.203 417 Y CB -0.678 37.788 38.460 0.010 0.000 0.980 417 Y HN 0.110 nan 8.280 nan 0.000 0.530 418 L N -0.358 120.959 121.223 0.157 0.000 2.083 418 L HA -0.101 4.238 4.340 -0.002 0.000 0.209 418 L C 1.391 178.251 176.870 -0.017 0.000 1.083 418 L CA 1.765 56.647 54.840 0.071 0.000 0.752 418 L CB -1.032 41.062 42.059 0.059 0.000 0.899 418 L HN 0.507 nan 8.230 nan 0.000 0.433 419 G N 0.711 109.464 108.800 -0.077 0.000 2.366 419 G HA2 -0.257 3.702 3.960 -0.002 0.000 0.299 419 G HA3 -0.257 3.702 3.960 -0.002 0.000 0.299 419 G C 0.069 174.722 174.900 -0.411 0.000 1.020 419 G CA 0.642 45.567 45.100 -0.290 0.000 1.026 419 G HN 0.405 nan 8.290 nan 0.000 0.512 420 S N 1.170 116.646 115.700 -0.375 0.000 2.438 420 S HA 0.576 5.046 4.470 -0.002 0.000 0.316 420 S C 0.847 175.295 174.600 -0.252 0.000 1.084 420 S CA -0.784 57.251 58.200 -0.275 0.000 1.107 420 S CB 0.557 63.659 63.200 -0.163 0.000 0.981 420 S HN 0.360 nan 8.310 nan 0.000 0.466 421 M N 2.935 122.398 119.600 -0.229 0.000 2.260 421 M HA 0.199 4.678 4.480 -0.002 0.000 0.348 421 M C 1.518 177.554 176.300 -0.439 0.000 1.342 421 M CA 0.801 56.041 55.300 -0.101 0.000 1.040 421 M CB -0.755 31.906 32.600 0.101 0.000 1.810 421 M HN 1.025 nan 8.290 nan 0.000 0.453 422 G N 1.920 110.590 108.800 -0.217 0.000 2.352 422 G HA2 -0.242 3.717 3.960 -0.002 0.000 0.204 422 G HA3 -0.242 3.717 3.960 -0.002 0.000 0.204 422 G C 0.541 175.312 174.900 -0.213 0.000 1.004 422 G CA 0.318 45.244 45.100 -0.290 0.000 0.648 422 G HN 0.772 nan 8.290 nan 0.000 0.491 423 V N 0.718 120.442 119.914 -0.317 0.000 2.867 423 V HA 0.292 4.411 4.120 -0.002 0.000 0.260 423 V C 2.445 178.296 176.094 -0.404 0.000 1.099 423 V CA 2.325 64.258 62.300 -0.611 0.000 1.122 423 V CB -0.955 30.406 31.823 -0.770 0.000 0.708 423 V HN 1.068 nan 8.190 nan 0.000 0.490 424 G N -0.539 108.119 108.800 -0.237 0.000 2.418 424 G HA2 -0.246 3.713 3.960 -0.002 0.000 0.217 424 G HA3 -0.246 3.713 3.960 -0.002 0.000 0.217 424 G C 1.323 176.160 174.900 -0.105 0.000 1.158 424 G CA 1.071 46.044 45.100 -0.211 0.000 0.771 424 G HN 0.507 nan 8.290 nan 0.000 0.545 425 F N 2.338 122.185 119.950 -0.172 0.000 2.075 425 F HA 0.028 4.554 4.527 -0.002 0.000 0.297 425 F C 2.700 178.418 175.800 -0.138 0.000 1.113 425 F CA 1.327 59.232 58.000 -0.158 0.000 1.218 425 F CB -0.745 38.159 39.000 -0.160 0.000 0.984 425 F HN 0.133 nan 8.300 nan 0.000 0.472 426 G N -1.337 107.564 108.800 0.169 0.000 2.418 426 G HA2 -0.240 3.719 3.960 -0.002 0.000 0.217 426 G HA3 -0.240 3.719 3.960 -0.002 0.000 0.217 426 G C 1.677 176.585 174.900 0.014 0.000 1.158 426 G CA 1.403 46.555 45.100 0.087 0.000 0.771 426 G HN 0.375 nan 8.290 nan 0.000 0.545 427 T N 1.771 116.306 114.554 -0.032 0.000 2.684 427 T HA -0.083 4.266 4.350 -0.002 0.000 0.267 427 T C 2.798 177.440 174.700 -0.096 0.000 1.036 427 T CA 1.743 63.788 62.100 -0.092 0.000 1.148 427 T CB -0.426 68.348 68.868 -0.157 0.000 0.863 427 T HN 0.386 nan 8.240 nan 0.000 0.436 428 A N 0.895 123.663 122.820 -0.088 0.000 1.933 428 A HA 0.048 4.367 4.320 -0.002 0.000 0.218 428 A C 2.301 179.866 177.584 -0.032 0.000 1.175 428 A CA 1.201 53.186 52.037 -0.086 0.000 0.628 428 A CB -0.847 18.070 19.000 -0.139 0.000 0.814 428 A HN 0.489 nan 8.150 nan 0.000 0.444 429 L N -0.530 120.704 121.223 0.017 0.000 2.046 429 L HA -0.101 4.238 4.340 -0.002 0.000 0.208 429 L C 2.498 179.393 176.870 0.041 0.000 1.077 429 L CA 1.704 56.580 54.840 0.061 0.000 0.747 429 L CB -0.533 41.588 42.059 0.103 0.000 0.896 429 L HN 0.398 nan 8.230 nan 0.000 0.432 430 G N -1.180 107.577 108.800 -0.072 0.000 2.402 430 G HA2 -0.256 3.703 3.960 -0.002 0.000 0.216 430 G HA3 -0.256 3.703 3.960 -0.002 0.000 0.216 430 G C 1.638 176.555 174.900 0.029 0.000 1.162 430 G CA 0.644 45.647 45.100 -0.162 0.000 0.777 430 G HN 0.568 nan 8.290 nan 0.000 0.539 431 A N 0.367 123.174 122.820 -0.021 0.000 1.940 431 A HA -0.165 4.154 4.320 -0.002 0.000 0.219 431 A C 2.309 179.898 177.584 0.009 0.000 1.176 431 A CA 2.364 54.389 52.037 -0.020 0.000 0.631 431 A CB -0.464 18.502 19.000 -0.057 0.000 0.814 431 A HN 0.433 nan 8.150 nan 0.000 0.446 432 Q N -0.187 119.629 119.800 0.027 0.000 2.119 432 Q HA -0.082 4.257 4.340 -0.002 0.000 0.201 432 Q C 1.815 177.851 176.000 0.060 0.000 0.972 432 Q CA 1.882 57.708 55.803 0.037 0.000 0.847 432 Q CB -0.552 28.211 28.738 0.042 0.000 0.903 432 Q HN 0.356 nan 8.270 nan 0.000 0.433 433 V N 0.688 120.667 119.914 0.109 0.000 2.287 433 V HA -0.311 3.808 4.120 -0.002 0.000 0.248 433 V C 2.284 178.420 176.094 0.069 0.000 1.053 433 V CA 1.959 64.321 62.300 0.103 0.000 1.027 433 V CB -1.333 30.607 31.823 0.195 0.000 0.646 433 V HN 0.535 nan 8.190 nan 0.000 0.447 434 A N -0.301 122.575 122.820 0.094 0.000 1.898 434 A HA -0.233 4.086 4.320 -0.002 0.000 0.216 434 A C 1.979 179.533 177.584 -0.050 0.000 1.181 434 A CA 1.881 53.874 52.037 -0.075 0.000 0.620 434 A CB -0.630 18.192 19.000 -0.297 0.000 0.819 434 A HN 0.535 nan 8.150 nan 0.000 0.442 435 D N -0.351 120.035 120.400 -0.024 0.000 2.218 435 D HA -0.103 4.536 4.640 -0.002 0.000 0.204 435 D C 1.688 177.991 176.300 0.005 0.000 0.976 435 D CA 0.650 54.641 54.000 -0.014 0.000 0.853 435 D CB -0.212 40.584 40.800 -0.008 0.000 0.939 435 D HN 0.248 nan 8.370 nan 0.000 0.481 436 L N 1.393 122.627 121.223 0.019 0.000 2.017 436 L HA -0.165 4.175 4.340 -0.002 0.000 0.208 436 L C 2.222 179.113 176.870 0.034 0.000 1.073 436 L CA 1.608 56.467 54.840 0.032 0.000 0.745 436 L CB -0.859 41.227 42.059 0.044 0.000 0.894 436 L HN 0.196 nan 8.230 nan 0.000 0.432 437 E N -1.157 119.066 120.200 0.039 0.000 2.204 437 E HA -0.111 4.238 4.350 -0.002 0.000 0.194 437 E C 1.720 178.334 176.600 0.023 0.000 0.989 437 E CA 1.039 57.466 56.400 0.045 0.000 0.824 437 E CB -0.302 29.441 29.700 0.072 0.000 0.756 437 E HN 0.428 nan 8.360 nan 0.000 0.477 438 A N 1.139 123.964 122.820 0.007 0.000 2.275 438 A HA 0.401 4.720 4.320 -0.002 0.000 0.212 438 A C 1.708 179.294 177.584 0.004 0.000 1.201 438 A CA 0.412 52.449 52.037 -0.001 0.000 0.843 438 A CB -0.193 18.797 19.000 -0.016 0.000 0.873 438 A HN 0.365 nan 8.150 nan 0.000 0.492 439 G N -0.136 108.671 108.800 0.010 0.000 2.198 439 G HA2 -0.245 3.714 3.960 -0.002 0.000 0.257 439 G HA3 -0.245 3.714 3.960 -0.002 0.000 0.257 439 G C 0.086 174.991 174.900 0.009 0.000 1.042 439 G CA 0.370 45.477 45.100 0.012 0.000 0.791 439 G HN 0.651 nan 8.290 nan 0.000 0.502 440 R N -0.949 119.555 120.500 0.006 0.000 2.778 440 R HA 0.680 5.019 4.340 -0.002 0.000 0.277 440 R C -0.103 176.201 176.300 0.007 0.000 0.977 440 R CA -1.138 54.964 56.100 0.004 0.000 0.950 440 R CB 1.151 31.450 30.300 -0.002 0.000 1.165 440 R HN 0.027 nan 8.270 nan 0.000 0.474 441 R N 0.801 121.305 120.500 0.005 0.000 2.428 441 R HA 0.325 4.664 4.340 -0.002 0.000 0.294 441 R C -0.628 175.671 176.300 -0.003 0.000 1.000 441 R CA -0.301 55.801 56.100 0.004 0.000 0.960 441 R CB 1.708 32.008 30.300 -0.000 0.000 1.076 441 R HN 0.596 nan 8.270 nan 0.000 0.475 442 T N 4.025 118.576 114.554 -0.005 0.000 2.795 442 T HA 0.570 4.919 4.350 -0.002 0.000 0.282 442 T C 0.453 175.136 174.700 -0.027 0.000 0.980 442 T CA -0.410 61.680 62.100 -0.017 0.000 1.012 442 T CB 0.994 69.850 68.868 -0.021 0.000 0.936 442 T HN 0.343 nan 8.240 nan 0.000 0.457 443 I N 3.555 124.104 120.570 -0.035 0.000 2.447 443 I HA 0.367 4.536 4.170 -0.002 0.000 0.287 443 I C -0.914 175.165 176.117 -0.065 0.000 1.023 443 I CA -1.065 60.209 61.300 -0.043 0.000 1.083 443 I CB 1.844 39.827 38.000 -0.028 0.000 1.245 443 I HN 0.361 nan 8.210 nan 0.000 0.434 444 L N 8.612 129.773 121.223 -0.103 0.000 2.289 444 L HA 0.587 4.926 4.340 -0.002 0.000 0.285 444 L C -0.788 176.019 176.870 -0.105 0.000 1.049 444 L CA -0.195 54.558 54.840 -0.146 0.000 0.804 444 L CB 1.526 43.432 42.059 -0.255 0.000 1.195 444 L HN 0.333 nan 8.230 nan 0.000 0.428 445 V N 4.883 124.748 119.914 -0.081 0.000 2.350 445 V HA 0.628 4.747 4.120 -0.002 0.000 0.285 445 V C 0.158 176.220 176.094 -0.054 0.000 1.014 445 V CA -0.293 61.986 62.300 -0.035 0.000 0.831 445 V CB 0.974 32.816 31.823 0.031 0.000 1.000 445 V HN 0.930 nan 8.190 nan 0.000 0.433 446 T N 3.142 117.661 114.554 -0.059 0.000 2.865 446 T HA 0.762 5.111 4.350 -0.002 0.000 0.294 446 T C 0.122 174.801 174.700 -0.035 0.000 1.119 446 T CA 0.119 62.188 62.100 -0.051 0.000 1.007 446 T CB 1.960 70.772 68.868 -0.093 0.000 1.225 446 T HN 0.873 nan 8.240 nan 0.000 0.515 447 G N 0.429 109.223 108.800 -0.009 0.000 2.477 447 G HA2 0.371 4.330 3.960 -0.002 0.000 0.304 447 G HA3 0.371 4.330 3.960 -0.002 0.000 0.304 447 G C 0.844 175.665 174.900 -0.132 0.000 1.175 447 G CA -0.164 44.917 45.100 -0.032 0.000 0.907 447 G HN 0.819 nan 8.290 nan 0.000 0.509 448 D N 0.106 120.388 120.400 -0.197 0.000 2.219 448 D HA -0.092 4.547 4.640 -0.002 0.000 0.205 448 D C 2.027 178.082 176.300 -0.409 0.000 0.970 448 D CA 1.230 54.999 54.000 -0.386 0.000 0.851 448 D CB -0.555 40.109 40.800 -0.226 0.000 0.943 448 D HN 0.459 nan 8.370 nan 0.000 0.488 449 G N 0.686 109.251 108.800 -0.391 0.000 2.414 449 G HA2 -0.219 3.740 3.960 -0.002 0.000 0.215 449 G HA3 -0.219 3.740 3.960 -0.002 0.000 0.215 449 G C 1.868 176.669 174.900 -0.165 0.000 1.188 449 G CA 1.017 45.681 45.100 -0.726 0.000 0.783 449 G HN 0.337 nan 8.290 nan 0.000 0.537 450 S N -0.198 115.578 115.700 0.128 0.000 2.382 450 S HA -0.114 4.355 4.470 -0.002 0.000 0.228 450 S C 2.308 177.075 174.600 0.278 0.000 1.027 450 S CA 0.988 59.392 58.200 0.341 0.000 0.991 450 S CB -0.311 63.026 63.200 0.228 0.000 0.823 450 S HN 0.159 nan 8.310 nan 0.000 0.469 451 V N 2.090 122.056 119.914 0.087 0.000 2.594 451 V HA -0.115 4.004 4.120 -0.002 0.000 0.253 451 V C 2.190 178.399 176.094 0.191 0.000 1.069 451 V CA 1.894 64.267 62.300 0.122 0.000 1.082 451 V CB -1.040 30.774 31.823 -0.016 0.000 0.680 451 V HN 0.565 nan 8.190 nan 0.000 0.469 452 G N -1.946 106.929 108.800 0.126 0.000 2.470 452 G HA2 -0.263 3.696 3.960 -0.002 0.000 0.220 452 G HA3 -0.263 3.696 3.960 -0.002 0.000 0.220 452 G C 1.306 176.269 174.900 0.105 0.000 1.121 452 G CA 0.857 46.034 45.100 0.128 0.000 0.766 452 G HN 0.590 nan 8.290 nan 0.000 0.553 453 Y N 1.022 121.393 120.300 0.119 0.000 2.256 453 Y HA -0.035 4.514 4.550 -0.002 0.000 0.288 453 Y C 2.085 177.981 175.900 -0.008 0.000 1.155 453 Y CA 1.583 59.728 58.100 0.075 0.000 1.203 453 Y CB 0.438 38.941 38.460 0.072 0.000 0.980 453 Y HN 0.154 nan 8.280 nan 0.000 0.530 454 S N -1.200 114.565 115.700 0.108 0.000 3.073 454 S HA 0.146 4.615 4.470 -0.002 0.000 0.252 454 S C 1.114 175.495 174.600 -0.366 0.000 0.953 454 S CA -0.349 57.770 58.200 -0.135 0.000 1.105 454 S CB -0.100 62.978 63.200 -0.203 0.000 1.070 454 S HN 0.334 nan 8.310 nan 0.000 0.574 455 I N 2.084 122.600 120.570 -0.091 0.000 2.567 455 I HA -0.124 4.045 4.170 -0.002 0.000 0.257 455 I C 2.170 178.225 176.117 -0.103 0.000 1.184 455 I CA 1.207 62.515 61.300 0.015 0.000 1.451 455 I CB -0.081 38.106 38.000 0.311 0.000 1.089 455 I HN 0.496 nan 8.210 nan 0.000 0.441 456 G N -0.015 108.676 108.800 -0.182 0.000 2.498 456 G HA2 -0.212 3.747 3.960 -0.002 0.000 0.219 456 G HA3 -0.212 3.747 3.960 -0.002 0.000 0.219 456 G C 1.360 175.889 174.900 -0.619 0.000 1.119 456 G CA 0.319 45.188 45.100 -0.384 0.000 0.766 456 G HN 0.360 nan 8.290 nan 0.000 0.552 457 E N 0.287 120.063 120.200 -0.706 0.000 2.409 457 E HA -0.027 4.322 4.350 -0.002 0.000 0.198 457 E C 1.849 178.168 176.600 -0.469 0.000 1.024 457 E CA 0.055 56.044 56.400 -0.685 0.000 0.861 457 E CB -0.355 28.776 29.700 -0.949 0.000 0.788 457 E HN 0.627 nan 8.360 nan 0.000 0.521 458 F N 1.316 121.062 119.950 -0.341 0.000 2.161 458 F HA -0.244 4.282 4.527 -0.002 0.000 0.300 458 F C 2.268 177.964 175.800 -0.174 0.000 1.089 458 F CA 1.336 59.291 58.000 -0.075 0.000 1.282 458 F CB -0.120 38.940 39.000 0.099 0.000 1.010 458 F HN 0.068 nan 8.300 nan 0.000 0.485 459 D N -0.344 119.836 120.400 -0.367 0.000 2.104 459 D HA -0.171 4.468 4.640 -0.002 0.000 0.194 459 D C 2.022 178.295 176.300 -0.044 0.000 0.994 459 D CA 2.050 55.931 54.000 -0.198 0.000 0.830 459 D CB -0.169 40.410 40.800 -0.368 0.000 0.959 459 D HN 0.106 nan 8.370 nan 0.000 0.452 460 T N 0.187 114.690 114.554 -0.085 0.000 2.708 460 T HA -0.126 4.223 4.350 -0.002 0.000 0.266 460 T C 1.781 176.511 174.700 0.051 0.000 1.037 460 T CA 0.694 62.787 62.100 -0.011 0.000 1.146 460 T CB -0.318 68.532 68.868 -0.030 0.000 0.865 460 T HN 0.058 nan 8.240 nan 0.000 0.435 461 L N 0.970 122.241 121.223 0.080 0.000 2.051 461 L HA -0.110 4.229 4.340 -0.002 0.000 0.214 461 L C 2.597 179.547 176.870 0.133 0.000 1.076 461 L CA 1.395 56.317 54.840 0.138 0.000 0.758 461 L CB -1.207 40.986 42.059 0.223 0.000 0.890 461 L HN 0.160 nan 8.230 nan 0.000 0.433 462 V N -1.091 118.906 119.914 0.138 0.000 2.323 462 V HA -0.208 3.911 4.120 -0.002 0.000 0.244 462 V C 2.599 178.750 176.094 0.094 0.000 1.041 462 V CA 1.336 63.711 62.300 0.125 0.000 1.025 462 V CB -0.490 31.420 31.823 0.146 0.000 0.656 462 V HN 0.382 nan 8.190 nan 0.000 0.451 463 R N 0.348 120.898 120.500 0.082 0.000 2.103 463 R HA -0.155 4.184 4.340 -0.002 0.000 0.242 463 R C 2.072 178.409 176.300 0.062 0.000 1.142 463 R CA 1.266 57.406 56.100 0.067 0.000 0.960 463 R CB -0.232 30.102 30.300 0.057 0.000 0.858 463 R HN 0.350 nan 8.270 nan 0.000 0.439 464 K N 0.459 120.899 120.400 0.067 0.000 2.393 464 K HA 0.045 4.364 4.320 -0.002 0.000 0.193 464 K C 0.097 176.739 176.600 0.069 0.000 1.026 464 K CA 0.212 56.538 56.287 0.064 0.000 1.064 464 K CB 0.348 32.889 32.500 0.067 0.000 0.833 464 K HN 0.243 nan 8.250 nan 0.000 0.521 465 Q N 0.639 120.484 119.800 0.076 0.000 2.460 465 Q HA -0.169 4.170 4.340 -0.002 0.000 0.311 465 Q C -0.986 175.062 176.000 0.081 0.000 1.396 465 Q CA 0.272 56.121 55.803 0.077 0.000 0.838 465 Q CB -1.941 26.835 28.738 0.063 0.000 1.140 465 Q HN 0.248 nan 8.270 nan 0.000 0.415 466 L N 1.617 122.896 121.223 0.093 0.000 2.262 466 L HA 0.322 4.661 4.340 -0.002 0.000 0.288 466 L C -1.392 175.539 176.870 0.101 0.000 1.035 466 L CA -1.903 52.992 54.840 0.092 0.000 0.820 466 L CB 0.731 42.849 42.059 0.099 0.000 1.204 466 L HN -0.025 nan 8.230 nan 0.000 0.424 467 P HA 0.004 nan 4.420 nan 0.000 0.254 467 P C -0.025 177.324 177.300 0.082 0.000 1.631 467 P CA -0.317 62.838 63.100 0.092 0.000 0.861 467 P CB 0.030 31.777 31.700 0.078 0.000 1.663 468 L N 0.693 121.966 121.223 0.082 0.000 2.490 468 L HA 0.103 4.442 4.340 -0.002 0.000 0.274 468 L C 0.017 176.926 176.870 0.065 0.000 1.201 468 L CA 0.269 55.140 54.840 0.052 0.000 0.869 468 L CB -0.113 41.967 42.059 0.034 0.000 1.123 468 L HN -0.045 nan 8.230 nan 0.000 0.484 469 I N 5.771 126.356 120.570 0.025 0.000 2.312 469 I HA 0.262 4.431 4.170 -0.002 0.000 0.290 469 I C -0.669 175.443 176.117 -0.008 0.000 1.008 469 I CA -0.618 60.703 61.300 0.034 0.000 1.226 469 I CB 1.426 39.426 38.000 -0.000 0.000 1.371 469 I HN 0.269 nan 8.210 nan 0.000 0.468 470 V N 8.008 127.944 119.914 0.036 0.000 2.328 470 V HA 0.396 4.515 4.120 -0.002 0.000 0.278 470 V C 0.166 176.281 176.094 0.035 0.000 1.021 470 V CA -0.393 61.881 62.300 -0.044 0.000 0.838 470 V CB 1.204 32.956 31.823 -0.119 0.000 0.999 470 V HN 0.471 nan 8.190 nan 0.000 0.447 471 I N 6.236 126.802 120.570 -0.008 0.000 2.336 471 I HA 0.470 4.639 4.170 -0.002 0.000 0.292 471 I C -0.388 175.707 176.117 -0.037 0.000 0.991 471 I CA -0.324 60.983 61.300 0.011 0.000 1.227 471 I CB 1.542 39.576 38.000 0.057 0.000 1.366 471 I HN 0.425 nan 8.210 nan 0.000 0.466 472 I N 6.661 127.203 120.570 -0.046 0.000 2.330 472 I HA 0.278 4.447 4.170 -0.002 0.000 0.289 472 I C -0.127 175.923 176.117 -0.112 0.000 1.001 472 I CA -0.533 60.719 61.300 -0.079 0.000 1.193 472 I CB 1.170 39.124 38.000 -0.078 0.000 1.345 472 I HN 0.392 nan 8.210 nan 0.000 0.461 473 M N 5.631 125.169 119.600 -0.102 0.000 2.264 473 M HA 0.154 4.633 4.480 -0.002 0.000 0.340 473 M C -0.164 176.088 176.300 -0.080 0.000 1.420 473 M CA 0.099 55.335 55.300 -0.106 0.000 1.254 473 M CB -0.285 32.278 32.600 -0.062 0.000 1.575 473 M HN 0.410 nan 8.290 nan 0.000 0.452 474 N N 3.938 122.597 118.700 -0.069 0.000 2.589 474 N HA 0.136 4.875 4.740 -0.002 0.000 0.232 474 N C -0.159 175.349 175.510 -0.003 0.000 1.015 474 N CA -0.137 52.906 53.050 -0.012 0.000 0.931 474 N CB 0.394 38.928 38.487 0.077 0.000 1.150 474 N HN 0.446 nan 8.380 nan 0.000 0.512 475 N N 2.344 121.039 118.700 -0.009 0.000 2.321 475 N HA 0.033 4.772 4.740 -0.002 0.000 0.242 475 N C -0.455 175.066 175.510 0.017 0.000 1.141 475 N CA -0.158 52.894 53.050 0.003 0.000 0.864 475 N CB 0.180 38.666 38.487 -0.001 0.000 1.100 475 N HN 0.303 nan 8.380 nan 0.000 0.510 476 Q N -0.760 119.055 119.800 0.024 0.000 2.481 476 Q HA -0.202 4.137 4.340 -0.002 0.000 0.272 476 Q C -0.886 175.112 176.000 -0.004 0.000 1.157 476 Q CA 1.360 57.178 55.803 0.025 0.000 0.935 476 Q CB -2.767 25.992 28.738 0.036 0.000 1.338 476 Q HN 0.864 nan 8.270 nan 0.000 0.494 477 S N -3.112 112.560 115.700 -0.046 0.000 2.633 477 S HA 0.475 4.944 4.470 -0.002 0.000 0.271 477 S C -1.179 173.378 174.600 -0.072 0.000 1.112 477 S CA -1.126 57.048 58.200 -0.045 0.000 0.828 477 S CB 0.379 63.615 63.200 0.061 0.000 1.086 477 S HN 0.278 nan 8.310 nan 0.000 0.461 478 W N 2.148 123.483 121.300 0.058 0.000 2.598 478 W HA 0.474 5.133 4.660 -0.002 0.000 0.396 478 W C 1.512 178.046 176.519 0.026 0.000 1.142 478 W CA 0.095 57.469 57.345 0.049 0.000 1.568 478 W CB -0.127 29.366 29.460 0.055 0.000 1.637 478 W HN 1.058 nan 8.180 nan 0.000 0.417 479 G N 1.856 110.750 108.800 0.157 0.000 2.453 479 G HA2 -0.255 3.704 3.960 -0.002 0.000 0.215 479 G HA3 -0.255 3.704 3.960 -0.002 0.000 0.215 479 G C 1.697 176.544 174.900 -0.088 0.000 1.201 479 G CA 1.134 46.239 45.100 0.007 0.000 0.784 479 G HN 0.543 nan 8.290 nan 0.000 0.545 480 A N 0.693 123.483 122.820 -0.051 0.000 1.908 480 A HA -0.079 4.240 4.320 -0.002 0.000 0.218 480 A C 2.645 180.290 177.584 0.102 0.000 1.181 480 A CA 2.996 55.010 52.037 -0.038 0.000 0.627 480 A CB -1.197 17.802 19.000 -0.003 0.000 0.818 480 A HN 0.555 nan 8.150 nan 0.000 0.445 481 T N -1.423 113.203 114.554 0.119 0.000 2.821 481 T HA -0.110 4.239 4.350 -0.002 0.000 0.267 481 T C 1.874 176.707 174.700 0.222 0.000 1.046 481 T CA 1.301 63.483 62.100 0.138 0.000 1.139 481 T CB -0.577 68.325 68.868 0.058 0.000 0.871 481 T HN 0.291 nan 8.240 nan 0.000 0.454 482 L N 0.275 121.627 121.223 0.215 0.000 2.042 482 L HA -0.149 4.190 4.340 -0.002 0.000 0.210 482 L C 2.837 179.882 176.870 0.292 0.000 1.076 482 L CA 1.714 56.694 54.840 0.233 0.000 0.749 482 L CB -0.440 41.748 42.059 0.216 0.000 0.893 482 L HN 0.412 nan 8.230 nan 0.000 0.432 483 H N -1.815 117.339 119.070 0.140 0.000 2.353 483 H HA -0.251 4.304 4.556 -0.002 0.000 0.300 483 H C 2.062 177.458 175.328 0.114 0.000 1.090 483 H CA 1.617 57.730 56.048 0.107 0.000 1.327 483 H CB -0.080 29.738 29.762 0.095 0.000 1.383 483 H HN 0.429 nan 8.280 nan 0.000 0.508 484 F N 2.187 122.232 119.950 0.157 0.000 2.095 484 F HA -0.267 4.259 4.527 -0.002 0.000 0.298 484 F C 2.488 178.324 175.800 0.060 0.000 1.104 484 F CA 1.585 59.635 58.000 0.083 0.000 1.232 484 F CB -0.187 38.849 39.000 0.060 0.000 0.987 484 F HN 0.116 nan 8.300 nan 0.000 0.475 485 Q N -0.190 119.756 119.800 0.243 0.000 2.061 485 Q HA -0.275 4.064 4.340 -0.002 0.000 0.204 485 Q C 2.216 178.212 176.000 -0.007 0.000 0.984 485 Q CA 2.118 57.989 55.803 0.114 0.000 0.846 485 Q CB -0.455 28.382 28.738 0.164 0.000 0.902 485 Q HN 0.619 nan 8.270 nan 0.000 0.421 486 Q N -0.093 119.717 119.800 0.016 0.000 2.046 486 Q HA -0.139 4.200 4.340 -0.002 0.000 0.200 486 Q C 1.996 177.946 176.000 -0.082 0.000 0.975 486 Q CA 0.883 56.673 55.803 -0.023 0.000 0.836 486 Q CB 0.030 28.760 28.738 -0.012 0.000 0.896 486 Q HN 0.224 nan 8.270 nan 0.000 0.428 487 L N -0.281 120.873 121.223 -0.115 0.000 2.109 487 L HA -0.020 4.319 4.340 -0.002 0.000 0.207 487 L C 1.999 178.740 176.870 -0.216 0.000 1.086 487 L CA 1.654 56.406 54.840 -0.147 0.000 0.760 487 L CB -0.867 41.118 42.059 -0.124 0.000 0.910 487 L HN 0.148 nan 8.230 nan 0.000 0.437 488 A N -2.353 120.241 122.820 -0.377 0.000 2.169 488 A HA 0.234 4.553 4.320 -0.002 0.000 0.210 488 A C 1.876 179.288 177.584 -0.286 0.000 1.168 488 A CA 0.825 52.589 52.037 -0.456 0.000 0.813 488 A CB 0.165 18.573 19.000 -0.987 0.000 0.861 488 A HN 0.163 nan 8.150 nan 0.000 0.481 489 V N -1.865 117.925 119.914 -0.206 0.000 3.029 489 V HA 0.539 4.658 4.120 -0.002 0.000 0.230 489 V C 0.980 177.038 176.094 -0.060 0.000 1.254 489 V CA 0.616 62.856 62.300 -0.099 0.000 1.276 489 V CB 0.086 31.882 31.823 -0.045 0.000 1.080 489 V HN 0.819 nan 8.190 nan 0.000 0.495 490 G N 0.269 109.037 108.800 -0.053 0.000 2.376 490 G HA2 0.308 4.267 3.960 -0.002 0.000 0.302 490 G HA3 0.308 4.267 3.960 -0.002 0.000 0.302 490 G C -2.729 172.160 174.900 -0.018 0.000 1.586 490 G CA 0.156 45.237 45.100 -0.032 0.000 0.907 490 G HN -0.065 nan 8.290 nan 0.000 0.655 491 P HA -0.093 nan 4.420 nan 0.000 0.220 491 P C 0.828 178.134 177.300 0.009 0.000 1.148 491 P CA 1.323 64.419 63.100 -0.006 0.000 0.803 491 P CB -0.078 31.616 31.700 -0.009 0.000 0.782 492 N N -0.912 117.793 118.700 0.009 0.000 2.380 492 N HA 0.128 4.867 4.740 -0.002 0.000 0.255 492 N C 0.486 176.010 175.510 0.023 0.000 1.158 492 N CA -0.581 52.479 53.050 0.017 0.000 0.878 492 N CB 0.150 38.645 38.487 0.013 0.000 1.138 492 N HN -0.142 nan 8.380 nan 0.000 0.509 493 R N 1.407 121.923 120.500 0.027 0.000 2.767 493 R HA 0.137 4.476 4.340 -0.002 0.000 0.377 493 R C -0.125 176.208 176.300 0.056 0.000 1.151 493 R CA -0.249 55.872 56.100 0.035 0.000 1.046 493 R CB 0.548 30.863 30.300 0.026 0.000 1.404 493 R HN 0.235 nan 8.270 nan 0.000 0.580 494 V N 0.345 120.296 119.914 0.060 0.000 2.406 494 V HA 0.626 4.745 4.120 -0.002 0.000 0.272 494 V C -0.609 175.531 176.094 0.077 0.000 1.043 494 V CA 0.147 62.495 62.300 0.080 0.000 0.915 494 V CB 1.304 33.181 31.823 0.090 0.000 0.988 494 V HN 0.382 nan 8.190 nan 0.000 0.466 495 T N 2.642 117.247 114.554 0.085 0.000 2.956 495 T HA 0.679 5.028 4.350 -0.002 0.000 0.312 495 T C 0.688 175.442 174.700 0.089 0.000 1.151 495 T CA -0.044 62.103 62.100 0.078 0.000 1.024 495 T CB 1.242 70.146 68.868 0.060 0.000 1.140 495 T HN 1.949 nan 8.240 nan 0.000 0.473 496 G N 1.399 110.258 108.800 0.098 0.000 2.166 496 G HA2 -0.324 3.636 3.960 -0.002 0.000 0.260 496 G HA3 -0.324 3.636 3.960 -0.002 0.000 0.260 496 G C 0.655 175.669 174.900 0.190 0.000 0.986 496 G CA 1.294 46.462 45.100 0.114 0.000 0.683 496 G HN 1.534 nan 8.290 nan 0.000 0.527 497 T N -3.255 111.433 114.554 0.222 0.000 2.975 497 T HA 0.412 4.761 4.350 -0.002 0.000 0.257 497 T C 0.988 175.878 174.700 0.315 0.000 1.003 497 T CA -0.041 62.261 62.100 0.336 0.000 0.932 497 T CB 0.572 69.584 68.868 0.241 0.000 1.087 497 T HN 0.463 nan 8.240 nan 0.000 0.512 498 R N 1.000 121.620 120.500 0.200 0.000 2.459 498 R HA 0.603 4.942 4.340 -0.002 0.000 0.281 498 R C -0.639 175.704 176.300 0.072 0.000 1.050 498 R CA -0.390 55.779 56.100 0.117 0.000 1.055 498 R CB 0.964 31.317 30.300 0.088 0.000 1.045 498 R HN 0.274 nan 8.270 nan 0.000 0.495 499 L N 2.841 124.064 121.223 -0.001 0.000 2.551 499 L HA 0.243 4.582 4.340 -0.002 0.000 0.248 499 L C -0.356 176.506 176.870 -0.013 0.000 1.509 499 L CA 0.044 54.858 54.840 -0.045 0.000 0.842 499 L CB 1.047 42.992 42.059 -0.190 0.000 1.087 499 L HN 0.598 nan 8.230 nan 0.000 0.512 500 E N 1.676 121.878 120.200 0.003 0.000 2.325 500 E HA 0.179 4.528 4.350 -0.002 0.000 0.295 500 E C -0.470 176.119 176.600 -0.018 0.000 1.461 500 E CA -0.174 56.228 56.400 0.003 0.000 1.698 500 E CB 0.270 29.978 29.700 0.014 0.000 1.496 500 E HN 0.371 nan 8.360 nan 0.000 0.474 501 N N -0.048 118.626 118.700 -0.043 0.000 2.636 501 N HA 0.457 5.196 4.740 -0.002 0.000 0.261 501 N C -1.245 174.156 175.510 -0.181 0.000 1.195 501 N CA 0.169 53.168 53.050 -0.086 0.000 0.902 501 N CB 1.789 40.237 38.487 -0.064 0.000 1.627 501 N HN 0.186 nan 8.380 nan 0.000 0.491 502 G N 0.670 109.330 108.800 -0.233 0.000 2.911 502 G HA2 0.102 4.061 3.960 -0.002 0.000 0.686 502 G HA3 0.102 4.061 3.960 -0.002 0.000 0.686 502 G C -0.970 173.618 174.900 -0.520 0.000 1.136 502 G CA -0.331 44.533 45.100 -0.394 0.000 0.764 502 G HN 0.871 nan 8.290 nan 0.000 0.626 503 S N 1.642 117.076 115.700 -0.443 0.000 2.466 503 S HA 0.579 5.048 4.470 -0.002 0.000 0.313 503 S C 1.237 175.612 174.600 -0.374 0.000 1.078 503 S CA -0.441 57.512 58.200 -0.412 0.000 1.115 503 S CB 0.171 63.103 63.200 -0.446 0.000 1.006 503 S HN 0.599 nan 8.310 nan 0.000 0.487 504 Y N 3.644 123.947 120.300 0.005 0.000 2.314 504 Y HA -0.098 4.451 4.550 -0.002 0.000 0.293 504 Y C 2.616 178.554 175.900 0.063 0.000 1.129 504 Y CA 1.700 59.849 58.100 0.081 0.000 1.201 504 Y CB -0.513 38.046 38.460 0.165 0.000 0.999 504 Y HN 0.855 nan 8.280 nan 0.000 0.541 505 H N -2.219 116.945 119.070 0.157 0.000 2.389 505 H HA 0.043 4.598 4.556 -0.002 0.000 0.299 505 H C 2.383 177.696 175.328 -0.024 0.000 1.081 505 H CA 1.191 57.276 56.048 0.062 0.000 1.345 505 H CB -1.085 28.740 29.762 0.104 0.000 1.393 505 H HN 0.324 nan 8.280 nan 0.000 0.520 506 G N 1.388 109.898 108.800 -0.484 0.000 2.440 506 G HA2 -0.217 3.742 3.960 -0.002 0.000 0.218 506 G HA3 -0.217 3.742 3.960 -0.002 0.000 0.218 506 G C 1.886 176.677 174.900 -0.182 0.000 1.154 506 G CA 1.603 46.508 45.100 -0.324 0.000 0.767 506 G HN 0.377 nan 8.290 nan 0.000 0.552 507 V N 1.523 121.366 119.914 -0.118 0.000 2.295 507 V HA -0.134 3.985 4.120 -0.002 0.000 0.246 507 V C 3.333 179.433 176.094 0.011 0.000 1.049 507 V CA 2.045 64.330 62.300 -0.026 0.000 1.024 507 V CB -0.951 30.954 31.823 0.137 0.000 0.648 507 V HN 0.482 nan 8.190 nan 0.000 0.447 508 A N 0.055 122.806 122.820 -0.116 0.000 1.902 508 A HA -0.141 4.178 4.320 -0.002 0.000 0.217 508 A C 2.437 179.934 177.584 -0.144 0.000 1.181 508 A CA 2.176 53.973 52.037 -0.399 0.000 0.623 508 A CB -0.829 17.568 19.000 -1.004 0.000 0.818 508 A HN 0.584 nan 8.150 nan 0.000 0.443 509 A N -0.107 122.643 122.820 -0.117 0.000 1.908 509 A HA 0.123 4.442 4.320 -0.002 0.000 0.218 509 A C 2.479 180.025 177.584 -0.063 0.000 1.181 509 A CA 2.134 54.126 52.037 -0.075 0.000 0.627 509 A CB -1.016 17.935 19.000 -0.080 0.000 0.818 509 A HN 1.143 nan 8.150 nan 0.000 0.445 510 A N -1.721 121.028 122.820 -0.117 0.000 2.019 510 A HA 0.037 4.356 4.320 -0.002 0.000 0.219 510 A C 1.653 179.119 177.584 -0.197 0.000 1.164 510 A CA 1.272 53.196 52.037 -0.189 0.000 0.644 510 A CB -0.627 18.198 19.000 -0.292 0.000 0.805 510 A HN 0.455 nan 8.150 nan 0.000 0.449 511 F N -0.952 119.000 119.950 0.004 0.000 2.797 511 F HA 0.332 4.858 4.527 -0.002 0.000 0.302 511 F C 1.870 177.699 175.800 0.048 0.000 1.130 511 F CA 0.456 58.486 58.000 0.051 0.000 1.387 511 F CB 0.106 39.183 39.000 0.127 0.000 1.107 511 F HN 0.365 nan 8.300 nan 0.000 0.577 512 G N -0.167 108.730 108.800 0.161 0.000 2.163 512 G HA2 -0.044 3.915 3.960 -0.002 0.000 0.213 512 G HA3 -0.044 3.915 3.960 -0.002 0.000 0.213 512 G C 0.232 175.188 174.900 0.094 0.000 0.991 512 G CA -0.175 44.990 45.100 0.108 0.000 0.653 512 G HN 0.604 nan 8.290 nan 0.000 0.518 513 A N 0.067 122.939 122.820 0.086 0.000 2.295 513 A HA 0.653 4.972 4.320 -0.002 0.000 0.318 513 A C -0.077 177.509 177.584 0.005 0.000 1.134 513 A CA -0.313 51.764 52.037 0.067 0.000 0.827 513 A CB 0.627 19.678 19.000 0.085 0.000 1.136 513 A HN 0.155 nan 8.150 nan 0.000 0.493 514 D N 1.064 121.485 120.400 0.036 0.000 2.450 514 D HA 0.407 5.046 4.640 -0.002 0.000 0.247 514 D C 0.396 176.675 176.300 -0.036 0.000 1.162 514 D CA 1.137 55.126 54.000 -0.019 0.000 0.879 514 D CB 1.029 41.861 40.800 0.054 0.000 1.163 514 D HN 0.665 nan 8.370 nan 0.000 0.472 515 G N 1.662 110.380 108.800 -0.137 0.000 2.470 515 G HA2 0.541 4.500 3.960 -0.002 0.000 0.320 515 G HA3 0.541 4.500 3.960 -0.002 0.000 0.320 515 G C -1.322 173.504 174.900 -0.123 0.000 1.245 515 G CA -0.543 44.545 45.100 -0.020 0.000 0.935 515 G HN 0.326 nan 8.290 nan 0.000 0.476 516 Y N -0.045 120.300 120.300 0.075 0.000 2.536 516 Y HA 0.571 5.120 4.550 -0.002 0.000 0.347 516 Y C -0.126 175.702 175.900 -0.120 0.000 1.000 516 Y CA -0.973 57.132 58.100 0.008 0.000 1.051 516 Y CB 2.869 41.342 38.460 0.021 0.000 1.259 516 Y HN 0.700 nan 8.280 nan 0.000 0.468 517 H N 1.515 120.490 119.070 -0.158 0.000 2.689 517 H HA 0.721 5.276 4.556 -0.002 0.000 0.346 517 H C -1.505 173.761 175.328 -0.103 0.000 1.037 517 H CA -0.809 55.051 56.048 -0.313 0.000 1.234 517 H CB 1.351 30.693 29.762 -0.701 0.000 1.572 517 H HN 0.558 nan 8.280 nan 0.000 0.524 518 V N 2.151 121.752 119.914 -0.522 0.000 3.130 518 V HA 0.560 4.679 4.120 -0.002 0.000 0.310 518 V C -0.733 175.121 176.094 -0.400 0.000 1.158 518 V CA -0.528 61.591 62.300 -0.302 0.000 1.029 518 V CB 2.429 34.188 31.823 -0.106 0.000 1.057 518 V HN 0.955 nan 8.190 nan 0.000 0.436 519 D N -0.195 120.087 120.400 -0.197 0.000 2.615 519 D HA 0.280 4.919 4.640 -0.002 0.000 0.274 519 D C 0.046 176.302 176.300 -0.072 0.000 1.512 519 D CA 0.730 54.641 54.000 -0.149 0.000 0.803 519 D CB 0.042 40.787 40.800 -0.092 0.000 1.182 519 D HN 1.193 nan 8.370 nan 0.000 0.473 520 S N -1.834 113.843 115.700 -0.038 0.000 2.656 520 S HA 0.458 4.927 4.470 -0.002 0.000 0.273 520 S C 0.773 175.404 174.600 0.052 0.000 1.168 520 S CA -0.251 57.948 58.200 -0.001 0.000 0.817 520 S CB 1.315 64.509 63.200 -0.011 0.000 1.146 520 S HN -0.191 nan 8.310 nan 0.000 0.475 521 V N 1.390 121.327 119.914 0.038 0.000 2.255 521 V HA -0.172 3.947 4.120 -0.002 0.000 0.247 521 V C 2.777 178.890 176.094 0.031 0.000 1.051 521 V CA 2.592 64.920 62.300 0.047 0.000 1.018 521 V CB -1.164 30.642 31.823 -0.028 0.000 0.641 521 V HN 1.038 nan 8.190 nan 0.000 0.445 522 E N 0.890 121.092 120.200 0.003 0.000 2.038 522 E HA -0.241 4.108 4.350 -0.002 0.000 0.195 522 E C 2.303 178.907 176.600 0.006 0.000 1.000 522 E CA 1.977 58.372 56.400 -0.008 0.000 0.803 522 E CB -0.191 29.500 29.700 -0.015 0.000 0.750 522 E HN 0.741 nan 8.360 nan 0.000 0.448 523 S N 0.170 115.887 115.700 0.027 0.000 2.368 523 S HA -0.165 4.304 4.470 -0.002 0.000 0.224 523 S C 1.930 176.578 174.600 0.080 0.000 1.029 523 S CA 0.882 59.105 58.200 0.038 0.000 0.988 523 S CB -0.634 62.582 63.200 0.026 0.000 0.838 523 S HN 0.410 nan 8.310 nan 0.000 0.462 524 F N 2.743 122.642 119.950 -0.086 0.000 2.146 524 F HA 0.053 4.579 4.527 -0.002 0.000 0.298 524 F C 2.691 178.430 175.800 -0.102 0.000 1.096 524 F CA 0.822 58.758 58.000 -0.106 0.000 1.275 524 F CB -1.177 37.768 39.000 -0.093 0.000 1.008 524 F HN 0.301 nan 8.300 nan 0.000 0.480 525 S N 0.091 115.697 115.700 -0.157 0.000 2.359 525 S HA -0.195 4.275 4.470 -0.002 0.000 0.224 525 S C 2.352 176.850 174.600 -0.171 0.000 1.035 525 S CA 1.512 59.571 58.200 -0.234 0.000 1.018 525 S CB -0.853 62.269 63.200 -0.129 0.000 0.876 525 S HN 0.518 nan 8.310 nan 0.000 0.448 526 A N 1.060 123.820 122.820 -0.100 0.000 1.930 526 A HA 0.212 4.531 4.320 -0.002 0.000 0.217 526 A C 2.410 179.914 177.584 -0.134 0.000 1.175 526 A CA 1.829 53.816 52.037 -0.083 0.000 0.627 526 A CB -1.240 17.740 19.000 -0.033 0.000 0.815 526 A HN 0.709 nan 8.150 nan 0.000 0.443 527 A N -0.562 122.161 122.820 -0.162 0.000 1.898 527 A HA 0.008 4.327 4.320 -0.002 0.000 0.216 527 A C 2.110 179.402 177.584 -0.486 0.000 1.181 527 A CA 1.676 53.495 52.037 -0.362 0.000 0.620 527 A CB -0.588 18.219 19.000 -0.322 0.000 0.819 527 A HN 0.629 nan 8.150 nan 0.000 0.442 528 L N -0.150 120.843 121.223 -0.383 0.000 2.046 528 L HA -0.033 4.306 4.340 -0.002 0.000 0.208 528 L C 2.656 179.286 176.870 -0.401 0.000 1.077 528 L CA 2.149 56.732 54.840 -0.428 0.000 0.747 528 L CB -0.915 40.796 42.059 -0.579 0.000 0.896 528 L HN 0.343 nan 8.230 nan 0.000 0.432 529 A N -1.109 121.536 122.820 -0.292 0.000 1.902 529 A HA -0.292 4.027 4.320 -0.002 0.000 0.217 529 A C 2.335 179.801 177.584 -0.196 0.000 1.181 529 A CA 1.869 53.802 52.037 -0.173 0.000 0.623 529 A CB -0.702 18.259 19.000 -0.064 0.000 0.818 529 A HN 0.656 nan 8.150 nan 0.000 0.443 530 Q N -0.743 118.923 119.800 -0.223 0.000 2.119 530 Q HA -0.070 4.269 4.340 -0.002 0.000 0.201 530 Q C 2.158 177.950 176.000 -0.347 0.000 0.972 530 Q CA 1.300 56.948 55.803 -0.258 0.000 0.847 530 Q CB -0.297 28.365 28.738 -0.126 0.000 0.903 530 Q HN 0.618 nan 8.270 nan 0.000 0.433 531 A N 0.557 123.209 122.820 -0.280 0.000 1.898 531 A HA -0.138 4.181 4.320 -0.002 0.000 0.216 531 A C 1.895 179.408 177.584 -0.119 0.000 1.181 531 A CA 0.892 52.838 52.037 -0.153 0.000 0.620 531 A CB -0.502 18.389 19.000 -0.182 0.000 0.819 531 A HN 0.402 nan 8.150 nan 0.000 0.442 532 L N -0.462 120.657 121.223 -0.172 0.000 2.131 532 L HA -0.094 4.245 4.340 -0.002 0.000 0.210 532 L C 2.790 179.615 176.870 -0.075 0.000 1.092 532 L CA 1.779 56.549 54.840 -0.118 0.000 0.759 532 L CB -1.467 40.499 42.059 -0.155 0.000 0.903 532 L HN 0.443 nan 8.230 nan 0.000 0.435 533 A N -2.186 120.549 122.820 -0.142 0.000 2.168 533 A HA -0.082 4.237 4.320 -0.002 0.000 0.215 533 A C 0.476 178.083 177.584 0.038 0.000 1.152 533 A CA 0.515 52.491 52.037 -0.101 0.000 0.716 533 A CB -0.567 18.327 19.000 -0.177 0.000 0.794 533 A HN 0.385 nan 8.150 nan 0.000 0.465 534 H N -0.752 118.337 119.070 0.032 0.000 2.457 534 H HA 0.309 4.864 4.556 -0.002 0.000 0.335 534 H C -0.642 174.712 175.328 0.044 0.000 1.115 534 H CA -1.392 54.684 56.048 0.046 0.000 1.219 534 H CB 0.863 30.667 29.762 0.069 0.000 1.471 534 H HN 0.219 nan 8.280 nan 0.000 0.491 535 N N 3.051 121.853 118.700 0.170 0.000 3.124 535 N HA 0.124 4.863 4.740 -0.002 0.000 0.284 535 N C -0.817 174.754 175.510 0.101 0.000 1.209 535 N CA -0.148 52.967 53.050 0.107 0.000 1.149 535 N CB -0.263 38.269 38.487 0.075 0.000 1.434 535 N HN 0.509 nan 8.380 nan 0.000 0.529 536 R N 0.768 121.343 120.500 0.124 0.000 2.664 536 R HA 0.375 4.714 4.340 -0.002 0.000 0.266 536 R C -2.747 173.639 176.300 0.143 0.000 1.046 536 R CA -1.322 54.852 56.100 0.123 0.000 0.885 536 R CB 1.846 32.218 30.300 0.120 0.000 1.254 536 R HN 0.254 nan 8.270 nan 0.000 0.465 537 P HA 0.349 nan 4.420 nan 0.000 0.272 537 P C -1.384 176.043 177.300 0.211 0.000 1.230 537 P CA -0.283 62.930 63.100 0.188 0.000 0.788 537 P CB 1.277 33.115 31.700 0.229 0.000 0.949 538 A N 0.766 123.730 122.820 0.239 0.000 2.606 538 A HA 0.556 4.875 4.320 -0.002 0.000 0.293 538 A C -1.467 176.282 177.584 0.274 0.000 1.082 538 A CA -0.531 51.659 52.037 0.254 0.000 0.685 538 A CB 1.225 20.404 19.000 0.299 0.000 1.284 538 A HN 0.648 nan 8.150 nan 0.000 0.408 539 C N 2.177 121.619 119.300 0.237 0.000 2.340 539 C HA 0.799 5.258 4.460 -0.002 0.000 0.323 539 C C -0.941 174.213 174.990 0.272 0.000 1.260 539 C CA -0.525 58.632 59.018 0.231 0.000 1.464 539 C CB -1.107 26.668 27.740 0.058 0.000 2.156 539 C HN 0.589 nan 8.230 nan 0.000 0.476 540 I N 6.196 126.886 120.570 0.200 0.000 2.382 540 I HA 0.342 4.511 4.170 -0.002 0.000 0.285 540 I C 0.045 176.199 176.117 0.062 0.000 1.007 540 I CA 0.012 61.398 61.300 0.145 0.000 1.142 540 I CB 0.972 39.022 38.000 0.083 0.000 1.289 540 I HN 0.701 nan 8.210 nan 0.000 0.453 541 N N 6.152 124.889 118.700 0.063 0.000 2.439 541 N HA 0.391 5.130 4.740 -0.002 0.000 0.249 541 N C -1.209 174.194 175.510 -0.178 0.000 1.003 541 N CA -0.426 52.666 53.050 0.069 0.000 0.942 541 N CB 1.089 39.781 38.487 0.342 0.000 1.115 541 N HN 0.287 nan 8.380 nan 0.000 0.505 542 V N 2.850 122.622 119.914 -0.237 0.000 2.328 542 V HA 0.394 4.513 4.120 -0.002 0.000 0.278 542 V C 0.397 176.334 176.094 -0.263 0.000 1.021 542 V CA -1.001 61.058 62.300 -0.401 0.000 0.838 542 V CB 0.800 32.250 31.823 -0.622 0.000 0.999 542 V HN 0.730 nan 8.190 nan 0.000 0.447 543 A N 5.236 127.899 122.820 -0.262 0.000 2.491 543 A HA 0.606 4.925 4.320 -0.002 0.000 0.261 543 A C -0.244 177.268 177.584 -0.120 0.000 1.101 543 A CA 0.091 52.059 52.037 -0.114 0.000 0.772 543 A CB 0.334 19.302 19.000 -0.055 0.000 1.043 543 A HN 0.702 nan 8.150 nan 0.000 0.501 544 V N 1.763 121.626 119.914 -0.086 0.000 3.007 544 V HA 0.653 4.772 4.120 -0.002 0.000 0.311 544 V C 0.578 176.630 176.094 -0.071 0.000 1.120 544 V CA -0.308 61.932 62.300 -0.099 0.000 0.980 544 V CB 2.057 33.800 31.823 -0.134 0.000 1.033 544 V HN 1.295 nan 8.190 nan 0.000 0.429 545 A N 2.216 124.979 122.820 -0.094 0.000 2.407 545 A HA 0.481 4.800 4.320 -0.002 0.000 0.248 545 A C 0.522 178.072 177.584 -0.056 0.000 1.082 545 A CA 0.172 52.165 52.037 -0.072 0.000 0.785 545 A CB 0.376 19.317 19.000 -0.098 0.000 1.020 545 A HN 0.968 nan 8.150 nan 0.000 0.489 546 L N 0.341 121.571 121.223 0.012 0.000 2.357 546 L HA 0.137 4.476 4.340 -0.002 0.000 0.211 546 L C 1.372 178.358 176.870 0.194 0.000 1.075 546 L CA 1.606 56.497 54.840 0.086 0.000 0.830 546 L CB -0.389 41.729 42.059 0.099 0.000 0.996 546 L HN 0.733 nan 8.230 nan 0.000 0.467 547 D N 0.255 120.724 120.400 0.116 0.000 2.117 547 D HA -0.050 4.589 4.640 -0.002 0.000 0.197 547 D C -1.245 175.126 176.300 0.119 0.000 0.987 547 D CA 0.698 54.761 54.000 0.104 0.000 0.829 547 D CB -1.649 39.175 40.800 0.040 0.000 0.961 547 D HN 0.329 nan 8.370 nan 0.000 0.460 548 P HA 0.060 nan 4.420 nan 0.000 0.266 548 P C -0.190 177.377 177.300 0.445 0.000 1.195 548 P CA 0.305 63.528 63.100 0.206 0.000 0.768 548 P CB 0.520 32.184 31.700 -0.060 0.000 0.838 549 I N 5.122 125.904 120.570 0.354 0.000 2.330 549 I HA 0.275 4.444 4.170 -0.002 0.000 0.289 549 I C -1.960 174.130 176.117 -0.045 0.000 1.001 549 I CA -2.483 58.937 61.300 0.200 0.000 1.193 549 I CB 1.530 39.555 38.000 0.041 0.000 1.345 549 I HN 0.191 nan 8.210 nan 0.000 0.461 550 P HA 0.197 nan 4.420 nan 0.000 0.275 550 P C -2.293 174.664 177.300 -0.572 0.000 1.227 550 P CA -1.458 60.894 63.100 -1.247 0.000 0.781 550 P CB 0.479 31.168 31.700 -1.686 0.000 0.906 551 P HA -0.225 nan 4.420 nan 0.000 0.218 551 P C 1.410 178.552 177.300 -0.263 0.000 1.154 551 P CA 1.701 64.633 63.100 -0.280 0.000 0.872 551 P CB 0.002 31.563 31.700 -0.231 0.000 0.790 552 E N -0.631 119.407 120.200 -0.270 0.000 2.204 552 E HA -0.199 4.150 4.350 -0.002 0.000 0.194 552 E C 1.976 178.482 176.600 -0.156 0.000 0.989 552 E CA 0.813 57.098 56.400 -0.191 0.000 0.824 552 E CB -0.444 29.180 29.700 -0.128 0.000 0.756 552 E HN 0.502 nan 8.360 nan 0.000 0.477 553 E N 0.804 120.894 120.200 -0.183 0.000 2.153 553 E HA -0.131 4.218 4.350 -0.002 0.000 0.194 553 E C 1.778 178.346 176.600 -0.054 0.000 0.988 553 E CA 0.392 56.733 56.400 -0.098 0.000 0.811 553 E CB -0.067 29.589 29.700 -0.074 0.000 0.746 553 E HN 0.199 nan 8.360 nan 0.000 0.466 554 L N 1.352 122.523 121.223 -0.086 0.000 2.642 554 L HA -0.022 4.317 4.340 -0.002 0.000 0.236 554 L C 0.621 177.459 176.870 -0.053 0.000 1.169 554 L CA 0.151 54.952 54.840 -0.066 0.000 0.851 554 L CB -0.509 41.502 42.059 -0.080 0.000 0.968 554 L HN 0.186 nan 8.230 nan 0.000 0.453 555 I N 0.000 120.538 120.570 -0.053 0.000 2.984 555 I HA 0.000 4.169 4.170 -0.002 0.000 0.288 555 I CA 0.000 61.284 61.300 -0.027 0.000 1.566 555 I CB 0.000 37.941 38.000 -0.098 0.000 1.214 555 I HN 0.000 nan 8.210 nan 0.000 0.494