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 3oks_1_A DATA FIRST_RESID 3 DATA SEQUENCE SHPEQSRHLA TAIPGPRSQA LIDRKGTAVA RGVGTTMPVY AVRAGGGIVE DATA SEQUENCE DVDGNRLIDL GSGIAVTTVG NSAPKVVEAV RSQVGDFTHT CFMVTPYEGY DATA SEQUENCE VAVCEQLNRL TPVRGDKRSA LFNSGSEAVE NAVKIARSHT HKPAVVAFDH DATA SEQUENCE AYHGRTNLTM ALTAKVMPYK DGFGPFAPEI YRAPLSYPFR DAEFGKELAT DATA SEQUENCE DGELAAKRAI TVIDKQIGAD NLAAVVIEPI QGEGGFIVPA DGFLPTLLDW DATA SEQUENCE CRKNDVVFIA DEVQTGFART GAMFACEHEG IDPDLIVTAX GIAGGLPLSA DATA SEQUENCE VTGRAEIMDS PHVSGLGGTY GGNPIACAAA LATIETIESE GLVARAQQIE DATA SEQUENCE KIMKDRLGRL QAEDDRIGDV RGRGAMIAME LVKAGTTEPD ADLTKALCAG DATA SEQUENCE AHAAGVIVLS CGTYGNVVRF LPPLSIGDDL LNEGLDVLEE VLRG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 S HA 0.000 nan 4.470 nan 0.000 0.327 3 S C 0.000 174.572 174.600 -0.047 0.000 1.055 3 S CA 0.000 58.121 58.200 -0.131 0.000 1.107 3 S CB 0.000 63.165 63.200 -0.058 0.000 0.593 4 H N 2.756 121.821 119.070 -0.008 0.000 2.597 4 H HA 0.393 4.950 4.556 0.000 0.000 0.370 4 H C -2.019 173.305 175.328 -0.007 0.000 1.281 4 H CA -1.628 54.416 56.048 -0.007 0.000 1.422 4 H CB 0.359 30.117 29.762 -0.007 0.000 1.524 4 H HN 0.372 nan 8.280 nan 0.000 0.607 5 P HA -0.058 nan 4.420 nan 0.000 0.271 5 P C -0.288 177.043 177.300 0.052 0.000 1.233 5 P CA -0.108 63.029 63.100 0.062 0.000 0.789 5 P CB 0.511 32.234 31.700 0.038 0.000 0.951 6 E N 1.098 121.312 120.200 0.023 0.000 2.414 6 E HA -0.077 4.273 4.350 0.000 0.000 0.263 6 E C -0.052 176.559 176.600 0.018 0.000 1.000 6 E CA 0.006 56.413 56.400 0.012 0.000 0.914 6 E CB 0.329 30.019 29.700 -0.017 0.000 0.948 6 E HN 0.258 nan 8.360 nan 0.000 0.444 7 Q N 2.490 122.303 119.800 0.021 0.000 3.170 7 Q HA 0.120 4.460 4.340 0.000 0.000 0.346 7 Q C -0.829 175.183 176.000 0.020 0.000 1.333 7 Q CA -0.064 55.752 55.803 0.022 0.000 0.958 7 Q CB -0.000 28.752 28.738 0.024 0.000 1.600 7 Q HN 0.395 nan 8.270 nan 0.000 0.482 8 S N -0.953 114.761 115.700 0.024 0.000 2.536 8 S HA 0.552 5.023 4.470 0.000 0.000 0.271 8 S C -0.489 174.146 174.600 0.058 0.000 1.134 8 S CA -1.100 57.120 58.200 0.034 0.000 0.897 8 S CB 2.480 65.696 63.200 0.027 0.000 1.094 8 S HN 0.410 nan 8.310 nan 0.000 0.473 9 R N 0.874 121.412 120.500 0.063 0.000 2.590 9 R HA 0.366 4.706 4.340 0.000 0.000 0.274 9 R C -1.059 175.324 176.300 0.139 0.000 1.061 9 R CA 0.161 56.309 56.100 0.079 0.000 1.081 9 R CB 0.183 30.514 30.300 0.053 0.000 0.984 9 R HN 0.887 nan 8.270 nan 0.000 0.448 10 H N 3.679 122.756 119.070 0.012 0.000 3.083 10 H HA 0.265 4.821 4.556 0.000 0.000 0.339 10 H C -1.572 173.764 175.328 0.013 0.000 1.020 10 H CA -0.509 55.546 56.048 0.012 0.000 1.360 10 H CB 0.904 30.672 29.762 0.011 0.000 1.811 10 H HN 0.499 nan 8.280 nan 0.000 0.493 11 L N 5.417 126.388 121.223 -0.420 0.000 2.314 11 L HA 0.445 4.785 4.340 0.000 0.000 0.275 11 L C 1.154 177.717 176.870 -0.511 0.000 1.068 11 L CA -0.153 54.485 54.840 -0.336 0.000 0.894 11 L CB 1.088 43.050 42.059 -0.160 0.000 1.275 11 L HN 0.853 nan 8.230 nan 0.000 0.432 12 A N 1.914 124.451 122.820 -0.471 0.000 1.929 12 A HA 0.006 4.327 4.320 0.000 0.000 0.216 12 A C 1.171 178.697 177.584 -0.096 0.000 1.176 12 A CA 1.643 53.547 52.037 -0.222 0.000 0.628 12 A CB -0.140 18.871 19.000 0.018 0.000 0.816 12 A HN 0.612 nan 8.150 nan 0.000 0.444 13 T N -4.851 109.658 114.554 -0.075 0.000 2.831 13 T HA 0.702 5.052 4.350 0.000 0.000 0.287 13 T C 0.023 174.702 174.700 -0.036 0.000 1.070 13 T CA -0.315 61.763 62.100 -0.036 0.000 1.010 13 T CB 1.113 69.975 68.868 -0.010 0.000 1.264 13 T HN 0.923 nan 8.240 nan 0.000 0.532 14 A N 0.406 123.215 122.820 -0.019 0.000 2.448 14 A HA 0.585 4.905 4.320 0.000 0.000 0.239 14 A C 0.086 177.669 177.584 -0.002 0.000 1.080 14 A CA -0.491 51.539 52.037 -0.010 0.000 0.779 14 A CB -0.555 18.443 19.000 -0.004 0.000 1.026 14 A HN 0.801 nan 8.150 nan 0.000 0.499 15 I N 2.671 123.245 120.570 0.006 0.000 2.382 15 I HA 0.279 4.449 4.170 0.000 0.000 0.286 15 I C -1.883 174.250 176.117 0.026 0.000 1.002 15 I CA -1.818 59.493 61.300 0.018 0.000 1.135 15 I CB 1.795 39.808 38.000 0.022 0.000 1.288 15 I HN 0.566 nan 8.210 nan 0.000 0.448 16 P HA 0.207 nan 4.420 nan 0.000 0.275 16 P C 0.050 177.365 177.300 0.025 0.000 1.228 16 P CA -0.106 63.016 63.100 0.036 0.000 0.786 16 P CB 1.015 32.744 31.700 0.048 0.000 0.927 17 G N 2.012 110.828 108.800 0.027 0.000 2.557 17 G HA2 0.337 4.297 3.960 0.000 0.000 0.292 17 G HA3 0.337 4.297 3.960 0.000 0.000 0.292 17 G C -1.629 173.279 174.900 0.014 0.000 1.237 17 G CA -1.131 43.979 45.100 0.017 0.000 0.978 17 G HN 0.282 nan 8.290 nan 0.000 0.498 18 P HA -0.062 nan 4.420 nan 0.000 0.217 18 P C 1.597 178.890 177.300 -0.012 0.000 1.151 18 P CA 0.949 64.047 63.100 -0.002 0.000 0.828 18 P CB 0.242 31.940 31.700 -0.003 0.000 0.788 19 R N -0.329 120.166 120.500 -0.009 0.000 2.090 19 R HA 0.021 4.361 4.340 0.000 0.000 0.228 19 R C 2.603 178.875 176.300 -0.047 0.000 1.110 19 R CA 1.282 57.367 56.100 -0.027 0.000 0.973 19 R CB -0.773 29.521 30.300 -0.011 0.000 0.869 19 R HN 0.151 nan 8.270 nan 0.000 0.440 20 S N 0.985 116.689 115.700 0.006 0.000 2.368 20 S HA -0.206 4.265 4.470 0.000 0.000 0.225 20 S C 1.871 176.464 174.600 -0.011 0.000 1.030 20 S CA 1.366 59.598 58.200 0.053 0.000 0.999 20 S CB -0.163 63.125 63.200 0.147 0.000 0.844 20 S HN 0.227 nan 8.310 nan 0.000 0.459 21 Q N 1.637 121.434 119.800 -0.004 0.000 2.124 21 Q HA 0.029 4.369 4.340 0.000 0.000 0.202 21 Q C 2.032 177.997 176.000 -0.059 0.000 0.977 21 Q CA 1.706 57.501 55.803 -0.013 0.000 0.850 21 Q CB -0.669 28.068 28.738 -0.002 0.000 0.901 21 Q HN 0.477 nan 8.270 nan 0.000 0.429 22 A N -0.059 122.712 122.820 -0.082 0.000 1.908 22 A HA -0.153 4.167 4.320 0.000 0.000 0.218 22 A C 2.086 179.563 177.584 -0.178 0.000 1.181 22 A CA 1.495 53.471 52.037 -0.103 0.000 0.627 22 A CB -0.722 18.226 19.000 -0.087 0.000 0.818 22 A HN 0.456 nan 8.150 nan 0.000 0.445 23 L N -0.723 120.307 121.223 -0.321 0.000 2.109 23 L HA -0.081 4.260 4.340 0.000 0.000 0.207 23 L C 2.376 178.949 176.870 -0.495 0.000 1.086 23 L CA 0.772 55.246 54.840 -0.610 0.000 0.760 23 L CB -0.338 40.954 42.059 -1.277 0.000 0.910 23 L HN 0.372 nan 8.230 nan 0.000 0.437 24 I N -0.113 120.310 120.570 -0.246 0.000 2.208 24 I HA -0.320 3.850 4.170 0.000 0.000 0.245 24 I C 1.972 178.081 176.117 -0.013 0.000 1.097 24 I CA 1.235 62.544 61.300 0.014 0.000 1.363 24 I CB -0.370 37.680 38.000 0.083 0.000 1.051 24 I HN 0.292 nan 8.210 nan 0.000 0.413 25 D N 0.629 121.000 120.400 -0.049 0.000 2.117 25 D HA -0.119 4.521 4.640 0.000 0.000 0.198 25 D C 2.327 178.606 176.300 -0.035 0.000 0.982 25 D CA 1.051 55.032 54.000 -0.031 0.000 0.828 25 D CB -0.238 40.542 40.800 -0.034 0.000 0.967 25 D HN 0.280 nan 8.370 nan 0.000 0.464 26 R N 0.682 121.142 120.500 -0.068 0.000 2.091 26 R HA -0.096 4.244 4.340 0.000 0.000 0.238 26 R C 2.231 178.518 176.300 -0.022 0.000 1.136 26 R CA 0.959 57.026 56.100 -0.055 0.000 0.959 26 R CB -0.114 30.132 30.300 -0.090 0.000 0.856 26 R HN 0.034 nan 8.270 nan 0.000 0.437 27 K N 0.620 121.014 120.400 -0.010 0.000 2.032 27 K HA -0.128 4.192 4.320 0.000 0.000 0.209 27 K C 2.020 178.645 176.600 0.043 0.000 1.048 27 K CA 1.923 58.242 56.287 0.054 0.000 0.927 27 K CB -0.538 32.050 32.500 0.146 0.000 0.712 27 K HN 0.304 nan 8.250 nan 0.000 0.441 28 G N 0.101 108.920 108.800 0.032 0.000 2.448 28 G HA2 -0.227 3.733 3.960 0.000 0.000 0.219 28 G HA3 -0.227 3.733 3.960 0.000 0.000 0.219 28 G C 1.395 176.307 174.900 0.019 0.000 1.127 28 G CA 1.571 46.688 45.100 0.027 0.000 0.766 28 G HN 0.568 nan 8.290 nan 0.000 0.552 29 T N -3.656 110.906 114.554 0.012 0.000 3.069 29 T HA 0.610 4.960 4.350 0.000 0.000 0.252 29 T C 1.806 176.514 174.700 0.012 0.000 1.053 29 T CA 0.988 63.094 62.100 0.010 0.000 0.964 29 T CB 0.751 69.621 68.868 0.003 0.000 1.005 29 T HN 0.263 nan 8.240 nan 0.000 0.532 30 A N 0.596 123.425 122.820 0.016 0.000 2.138 30 A HA 0.680 5.000 4.320 0.000 0.000 0.203 30 A C 0.513 178.113 177.584 0.026 0.000 1.286 30 A CA -0.019 52.029 52.037 0.019 0.000 0.929 30 A CB 0.691 19.701 19.000 0.016 0.000 0.975 30 A HN 0.356 nan 8.150 nan 0.000 0.480 31 V N 0.981 120.915 119.914 0.033 0.000 2.555 31 V HA 0.649 4.769 4.120 0.000 0.000 0.302 31 V C 0.596 176.711 176.094 0.036 0.000 1.038 31 V CA -0.908 61.414 62.300 0.037 0.000 0.887 31 V CB 1.138 32.990 31.823 0.049 0.000 0.991 31 V HN 0.487 nan 8.190 nan 0.000 0.434 32 A N 4.339 127.180 122.820 0.034 0.000 2.531 32 A HA 0.166 4.486 4.320 0.000 0.000 0.236 32 A C 1.438 179.046 177.584 0.041 0.000 1.062 32 A CA 0.462 52.521 52.037 0.036 0.000 0.760 32 A CB -0.062 18.960 19.000 0.037 0.000 0.995 32 A HN 1.095 nan 8.150 nan 0.000 0.501 33 R N 2.299 122.824 120.500 0.041 0.000 2.193 33 R HA -0.054 4.287 4.340 0.000 0.000 0.229 33 R C 1.601 177.930 176.300 0.048 0.000 1.110 33 R CA 1.663 57.788 56.100 0.042 0.000 0.988 33 R CB -0.672 29.650 30.300 0.037 0.000 0.871 33 R HN 0.671 nan 8.270 nan 0.000 0.458 34 G N 1.216 110.052 108.800 0.060 0.000 2.462 34 G HA2 -0.127 3.833 3.960 0.000 0.000 0.220 34 G HA3 -0.127 3.833 3.960 0.000 0.000 0.220 34 G C 0.450 175.387 174.900 0.062 0.000 1.121 34 G CA 0.541 45.687 45.100 0.077 0.000 0.758 34 G HN 0.184 nan 8.290 nan 0.000 0.559 35 V N 1.982 121.924 119.914 0.047 0.000 2.352 35 V HA 0.469 4.589 4.120 0.000 0.000 0.253 35 V C 1.151 177.263 176.094 0.030 0.000 1.083 35 V CA -0.402 61.921 62.300 0.037 0.000 0.993 35 V CB 0.152 31.994 31.823 0.032 0.000 1.111 35 V HN 0.240 nan 8.190 nan 0.000 0.490 36 G N 3.791 112.606 108.800 0.026 0.000 2.476 36 G HA2 0.574 4.535 3.960 0.000 0.000 0.269 36 G HA3 0.574 4.535 3.960 0.000 0.000 0.269 36 G C 0.050 174.947 174.900 -0.005 0.000 1.195 36 G CA -0.117 44.992 45.100 0.014 0.000 0.843 36 G HN 0.700 nan 8.290 nan 0.000 0.545 37 T N -1.759 112.786 114.554 -0.016 0.000 2.861 37 T HA 0.507 4.857 4.350 0.000 0.000 0.287 37 T C 0.882 175.548 174.700 -0.056 0.000 1.003 37 T CA -0.528 61.541 62.100 -0.052 0.000 0.977 37 T CB 1.924 70.750 68.868 -0.071 0.000 0.996 37 T HN 0.234 nan 8.240 nan 0.000 0.448 38 T N 1.990 116.490 114.554 -0.089 0.000 2.852 38 T HA 0.152 4.502 4.350 0.000 0.000 0.256 38 T C 0.875 175.468 174.700 -0.178 0.000 1.038 38 T CA 0.569 62.609 62.100 -0.100 0.000 1.141 38 T CB -0.103 68.693 68.868 -0.120 0.000 0.869 38 T HN 0.458 nan 8.240 nan 0.000 0.439 39 M N 2.329 121.783 119.600 -0.243 0.000 2.233 39 M HA 0.282 4.762 4.480 0.000 0.000 0.355 39 M C -2.087 174.122 176.300 -0.152 0.000 1.191 39 M CA -3.079 52.047 55.300 -0.289 0.000 1.101 39 M CB 0.643 33.065 32.600 -0.297 0.000 1.592 39 M HN -0.067 nan 8.290 nan 0.000 0.461 40 P HA 0.167 nan 4.420 nan 0.000 0.236 40 P C -0.598 176.726 177.300 0.040 0.000 1.709 40 P CA 0.015 63.119 63.100 0.005 0.000 0.942 40 P CB -0.387 31.333 31.700 0.033 0.000 1.615 41 V N -3.109 116.796 119.914 -0.016 0.000 2.962 41 V HA 0.596 4.716 4.120 0.000 0.000 0.313 41 V C -1.351 174.724 176.094 -0.032 0.000 1.099 41 V CA -1.355 60.972 62.300 0.045 0.000 0.971 41 V CB 2.051 33.879 31.823 0.008 0.000 1.028 41 V HN -0.157 nan 8.190 nan 0.000 0.430 42 Y N 2.072 122.361 120.300 -0.020 0.000 2.331 42 Y HA 0.784 5.334 4.550 0.000 0.000 0.338 42 Y C 0.775 176.666 175.900 -0.014 0.000 0.992 42 Y CA 0.058 58.147 58.100 -0.017 0.000 1.121 42 Y CB 1.745 40.198 38.460 -0.011 0.000 1.184 42 Y HN 1.095 nan 8.280 nan 0.000 0.469 43 A N 2.654 125.479 122.820 0.007 0.000 2.401 43 A HA 0.480 4.800 4.320 0.000 0.000 0.259 43 A C 0.819 178.429 177.584 0.043 0.000 1.103 43 A CA 0.084 52.125 52.037 0.006 0.000 0.789 43 A CB 0.283 19.259 19.000 -0.040 0.000 1.035 43 A HN 0.914 nan 8.150 nan 0.000 0.491 44 V N -0.115 119.820 119.914 0.036 0.000 3.359 44 V HA 0.459 4.579 4.120 0.000 0.000 0.245 44 V C 0.535 176.644 176.094 0.025 0.000 1.247 44 V CA 0.212 62.534 62.300 0.036 0.000 1.145 44 V CB -0.478 31.369 31.823 0.040 0.000 0.906 44 V HN 0.770 nan 8.190 nan 0.000 0.464 45 R N 0.075 120.587 120.500 0.019 0.000 2.707 45 R HA 0.869 5.210 4.340 0.000 0.000 0.272 45 R C -1.288 175.014 176.300 0.004 0.000 1.011 45 R CA 0.215 56.327 56.100 0.020 0.000 0.893 45 R CB 2.329 32.648 30.300 0.031 0.000 1.233 45 R HN 0.541 nan 8.270 nan 0.000 0.464 46 A N 0.567 123.382 122.820 -0.009 0.000 2.594 46 A HA 0.932 5.252 4.320 0.000 0.000 0.295 46 A C -1.139 176.358 177.584 -0.145 0.000 1.071 46 A CA -0.293 51.711 52.037 -0.056 0.000 0.685 46 A CB 2.318 21.281 19.000 -0.061 0.000 1.285 46 A HN 0.895 nan 8.150 nan 0.000 0.405 47 G N -1.198 107.453 108.800 -0.249 0.000 2.340 47 G HA2 0.694 4.654 3.960 0.000 0.000 0.298 47 G HA3 0.694 4.654 3.960 0.000 0.000 0.298 47 G C 0.565 175.232 174.900 -0.389 0.000 1.498 47 G CA 1.080 45.805 45.100 -0.624 0.000 0.847 47 G HN 2.637 nan 8.290 nan 0.000 0.594 48 G N -0.003 108.570 108.800 -0.379 0.000 2.602 48 G HA2 0.196 4.157 3.960 0.000 0.000 0.310 48 G HA3 0.196 4.157 3.960 0.000 0.000 0.310 48 G C 1.277 176.127 174.900 -0.083 0.000 1.183 48 G CA 1.590 46.618 45.100 -0.120 0.000 0.979 48 G HN 2.333 nan 8.290 nan 0.000 0.545 49 G N -0.600 108.173 108.800 -0.045 0.000 3.774 49 G HA2 0.538 4.498 3.960 0.000 0.000 0.287 49 G HA3 0.538 4.498 3.960 0.000 0.000 0.287 49 G C 0.036 174.923 174.900 -0.021 0.000 1.030 49 G CA 0.323 45.408 45.100 -0.026 0.000 0.824 49 G HN 0.582 nan 8.290 nan 0.000 0.518 50 I N 1.010 121.558 120.570 -0.037 0.000 2.608 50 I HA 0.443 4.613 4.170 0.000 0.000 0.295 50 I C -0.777 175.321 176.117 -0.033 0.000 1.049 50 I CA -1.090 60.198 61.300 -0.020 0.000 1.063 50 I CB 2.121 40.119 38.000 -0.003 0.000 1.248 50 I HN -0.300 nan 8.210 nan 0.000 0.424 51 V N 4.551 124.453 119.914 -0.019 0.000 2.448 51 V HA 0.357 4.477 4.120 0.000 0.000 0.295 51 V C -0.012 176.082 176.094 -0.000 0.000 1.025 51 V CA -0.728 61.559 62.300 -0.022 0.000 0.859 51 V CB 2.025 33.827 31.823 -0.035 0.000 0.988 51 V HN 0.736 nan 8.190 nan 0.000 0.431 52 E N 3.469 123.674 120.200 0.008 0.000 2.175 52 E HA 0.417 4.767 4.350 0.000 0.000 0.278 52 E C -0.966 175.651 176.600 0.029 0.000 0.969 52 E CA -0.674 55.742 56.400 0.027 0.000 0.796 52 E CB 1.232 30.951 29.700 0.031 0.000 1.104 52 E HN 0.884 nan 8.360 nan 0.000 0.395 53 D N 2.185 122.609 120.400 0.040 0.000 2.437 53 D HA 0.007 4.647 4.640 0.000 0.000 0.259 53 D C 1.245 177.580 176.300 0.059 0.000 1.118 53 D CA -0.443 53.587 54.000 0.049 0.000 1.017 53 D CB 0.987 41.816 40.800 0.048 0.000 1.120 53 D HN 0.229 nan 8.370 nan 0.000 0.541 54 V N -2.439 117.520 119.914 0.075 0.000 2.867 54 V HA -0.099 4.022 4.120 0.000 0.000 0.260 54 V C 0.791 176.913 176.094 0.045 0.000 1.099 54 V CA 1.563 63.899 62.300 0.061 0.000 1.122 54 V CB -0.665 31.197 31.823 0.065 0.000 0.708 54 V HN 0.478 nan 8.190 nan 0.000 0.490 55 D N 0.636 121.065 120.400 0.048 0.000 2.349 55 D HA 0.260 4.900 4.640 0.000 0.000 0.214 55 D C 1.790 178.123 176.300 0.054 0.000 1.063 55 D CA 0.986 55.011 54.000 0.041 0.000 0.847 55 D CB 0.839 41.659 40.800 0.033 0.000 0.933 55 D HN 0.724 nan 8.370 nan 0.000 0.513 56 G N 1.471 110.311 108.800 0.066 0.000 2.176 56 G HA2 -0.241 3.719 3.960 0.000 0.000 0.253 56 G HA3 -0.241 3.719 3.960 0.000 0.000 0.253 56 G C 0.284 175.277 174.900 0.155 0.000 0.979 56 G CA -0.429 44.730 45.100 0.099 0.000 0.641 56 G HN 0.189 nan 8.290 nan 0.000 0.530 57 N N 0.569 119.327 118.700 0.098 0.000 2.508 57 N HA 0.380 5.121 4.740 0.000 0.000 0.264 57 N C 0.374 175.942 175.510 0.097 0.000 1.216 57 N CA 0.297 53.398 53.050 0.083 0.000 0.943 57 N CB 0.453 38.954 38.487 0.024 0.000 1.113 57 N HN 0.422 nan 8.380 nan 0.000 0.447 58 R N 1.581 122.152 120.500 0.118 0.000 2.360 58 R HA 0.438 4.778 4.340 0.000 0.000 0.318 58 R C -0.809 175.527 176.300 0.059 0.000 0.950 58 R CA -0.759 55.392 56.100 0.085 0.000 0.837 58 R CB 0.968 31.328 30.300 0.099 0.000 1.165 58 R HN 0.291 nan 8.270 nan 0.000 0.458 59 L N 3.899 125.141 121.223 0.033 0.000 2.325 59 L HA 0.482 4.822 4.340 0.000 0.000 0.278 59 L C 0.160 177.041 176.870 0.020 0.000 1.023 59 L CA -0.482 54.371 54.840 0.023 0.000 0.811 59 L CB 1.482 43.544 42.059 0.006 0.000 1.249 59 L HN 0.466 nan 8.230 nan 0.000 0.431 60 I N 2.124 122.711 120.570 0.028 0.000 2.533 60 I HA 0.036 4.206 4.170 0.000 0.000 0.284 60 I C 0.022 176.155 176.117 0.026 0.000 1.109 60 I CA 0.048 61.365 61.300 0.028 0.000 1.412 60 I CB 0.538 38.562 38.000 0.040 0.000 1.396 60 I HN 0.557 nan 8.210 nan 0.000 0.543 61 D N 7.889 128.298 120.400 0.015 0.000 2.441 61 D HA 0.214 4.854 4.640 0.000 0.000 0.221 61 D C 0.349 176.667 176.300 0.031 0.000 1.156 61 D CA -0.088 53.916 54.000 0.007 0.000 0.896 61 D CB 0.730 41.521 40.800 -0.015 0.000 1.028 61 D HN 0.419 nan 8.370 nan 0.000 0.509 62 L N 2.488 123.742 121.223 0.051 0.000 2.741 62 L HA 0.341 4.681 4.340 0.000 0.000 0.237 62 L C 1.736 178.639 176.870 0.055 0.000 1.178 62 L CA -0.142 54.754 54.840 0.092 0.000 0.973 62 L CB 0.726 42.887 42.059 0.169 0.000 1.255 62 L HN 0.411 nan 8.230 nan 0.000 0.498 63 G N -0.914 107.897 108.800 0.018 0.000 2.728 63 G HA2 -0.067 3.893 3.960 0.000 0.000 0.203 63 G HA3 -0.067 3.893 3.960 0.000 0.000 0.203 63 G C 1.010 175.915 174.900 0.008 0.000 1.073 63 G CA 0.724 45.824 45.100 -0.000 0.000 0.778 63 G HN 0.358 nan 8.290 nan 0.000 0.553 64 S N -0.668 115.032 115.700 0.001 0.000 3.462 64 S HA -0.020 4.450 4.470 0.000 0.000 0.370 64 S C 1.556 176.147 174.600 -0.015 0.000 1.028 64 S CA 1.144 59.340 58.200 -0.008 0.000 1.119 64 S CB -2.145 61.057 63.200 0.003 0.000 0.906 64 S HN 2.302 nan 8.310 nan 0.000 0.471 65 G N 0.901 109.685 108.800 -0.026 0.000 2.246 65 G HA2 -0.195 3.765 3.960 0.000 0.000 0.273 65 G HA3 -0.195 3.765 3.960 0.000 0.000 0.273 65 G C 0.374 175.263 174.900 -0.018 0.000 1.055 65 G CA -0.091 44.989 45.100 -0.032 0.000 0.851 65 G HN 2.059 nan 8.290 nan 0.000 0.500 66 I N -3.615 116.949 120.570 -0.010 0.000 6.793 66 I HA -0.171 3.999 4.170 0.000 0.000 0.126 66 I C 1.392 177.525 176.117 0.027 0.000 1.828 66 I CA 0.513 61.819 61.300 0.009 0.000 2.046 66 I CB -1.998 35.998 38.000 -0.006 0.000 3.541 66 I HN 2.251 nan 8.210 nan 0.000 0.172 67 A N 0.926 123.767 122.820 0.035 0.000 2.905 67 A HA -0.170 4.150 4.320 0.000 0.000 0.260 67 A C 0.965 178.561 177.584 0.021 0.000 1.398 67 A CA 1.240 53.299 52.037 0.036 0.000 0.840 67 A CB -1.784 17.244 19.000 0.047 0.000 1.059 67 A HN 0.790 nan 8.150 nan 0.000 0.647 68 V N -0.462 119.455 119.914 0.005 0.000 2.627 68 V HA 0.013 4.133 4.120 0.000 0.000 0.239 68 V C 1.933 178.012 176.094 -0.025 0.000 1.077 68 V CA 1.993 64.288 62.300 -0.009 0.000 1.103 68 V CB 0.030 31.844 31.823 -0.014 0.000 0.802 68 V HN 1.163 nan 8.190 nan 0.000 0.482 69 T N -1.704 112.834 114.554 -0.026 0.000 3.607 69 T HA 0.058 4.408 4.350 0.000 0.000 0.225 69 T C 1.162 175.844 174.700 -0.029 0.000 0.904 69 T CA 0.402 62.480 62.100 -0.036 0.000 0.962 69 T CB -0.117 68.724 68.868 -0.045 0.000 1.221 69 T HN 0.316 nan 8.240 nan 0.000 0.641 70 T N 1.798 116.339 114.554 -0.021 0.000 2.699 70 T HA -0.144 4.206 4.350 0.000 0.000 0.268 70 T C 2.117 176.807 174.700 -0.017 0.000 1.036 70 T CA 1.833 63.926 62.100 -0.012 0.000 1.147 70 T CB -0.415 68.453 68.868 -0.001 0.000 0.862 70 T HN 0.689 nan 8.240 nan 0.000 0.446 71 V N -1.007 118.892 119.914 -0.024 0.000 3.510 71 V HA 0.523 4.643 4.120 0.000 0.000 0.270 71 V C 0.935 177.015 176.094 -0.023 0.000 1.201 71 V CA 0.093 62.381 62.300 -0.020 0.000 1.166 71 V CB -1.550 30.260 31.823 -0.022 0.000 0.825 71 V HN 0.670 nan 8.190 nan 0.000 0.484 72 G N 0.232 109.009 108.800 -0.039 0.000 2.650 72 G HA2 -0.174 3.786 3.960 0.000 0.000 0.686 72 G HA3 -0.174 3.786 3.960 0.000 0.000 0.686 72 G C -0.658 174.191 174.900 -0.085 0.000 1.205 72 G CA -0.322 44.735 45.100 -0.072 0.000 0.781 72 G HN 0.472 nan 8.290 nan 0.000 0.648 73 N N 0.245 118.869 118.700 -0.127 0.000 2.492 73 N HA 0.324 5.065 4.740 0.000 0.000 0.260 73 N C 1.139 176.587 175.510 -0.104 0.000 1.215 73 N CA 1.141 54.125 53.050 -0.111 0.000 0.923 73 N CB 0.571 38.986 38.487 -0.121 0.000 1.092 73 N HN 1.251 nan 8.380 nan 0.000 0.448 74 S N -0.311 115.379 115.700 -0.017 0.000 3.631 74 S HA -0.204 4.266 4.470 0.000 0.000 0.366 74 S C 0.016 174.724 174.600 0.180 0.000 0.993 74 S CA 0.520 58.767 58.200 0.078 0.000 1.167 74 S CB -1.335 61.942 63.200 0.129 0.000 0.909 74 S HN 0.803 nan 8.310 nan 0.000 0.478 75 A N 1.176 124.045 122.820 0.082 0.000 2.511 75 A HA 0.459 4.779 4.320 0.000 0.000 0.242 75 A C -0.387 177.243 177.584 0.076 0.000 1.069 75 A CA -1.002 51.092 52.037 0.094 0.000 0.763 75 A CB 0.106 19.123 19.000 0.030 0.000 1.001 75 A HN 0.289 nan 8.150 nan 0.000 0.498 76 P HA -0.189 nan 4.420 nan 0.000 0.216 76 P C 1.168 178.469 177.300 0.001 0.000 1.153 76 P CA 1.590 64.697 63.100 0.011 0.000 0.858 76 P CB 0.116 31.809 31.700 -0.012 0.000 0.789 77 K N -0.743 119.659 120.400 0.003 0.000 2.097 77 K HA -0.046 4.275 4.320 0.000 0.000 0.205 77 K C 1.964 178.557 176.600 -0.013 0.000 1.050 77 K CA 1.105 57.388 56.287 -0.007 0.000 0.938 77 K CB -0.746 31.750 32.500 -0.006 0.000 0.718 77 K HN 0.070 nan 8.250 nan 0.000 0.442 78 V N 1.145 121.053 119.914 -0.011 0.000 2.307 78 V HA -0.195 3.925 4.120 0.000 0.000 0.245 78 V C 2.371 178.452 176.094 -0.020 0.000 1.045 78 V CA 1.281 63.568 62.300 -0.022 0.000 1.024 78 V CB -0.300 31.509 31.823 -0.024 0.000 0.651 78 V HN 0.027 nan 8.190 nan 0.000 0.449 79 V N 0.248 120.158 119.914 -0.007 0.000 2.282 79 V HA -0.303 3.817 4.120 0.000 0.000 0.249 79 V C 2.609 178.691 176.094 -0.020 0.000 1.057 79 V CA 2.464 64.759 62.300 -0.008 0.000 1.032 79 V CB -0.633 31.192 31.823 0.004 0.000 0.645 79 V HN 0.627 nan 8.190 nan 0.000 0.447 80 E N 0.632 120.820 120.200 -0.020 0.000 2.077 80 E HA -0.160 4.190 4.350 0.000 0.000 0.193 80 E C 2.111 178.693 176.600 -0.030 0.000 0.989 80 E CA 1.701 58.087 56.400 -0.023 0.000 0.800 80 E CB -0.545 29.144 29.700 -0.020 0.000 0.746 80 E HN 0.505 nan 8.360 nan 0.000 0.452 81 A N 0.070 122.871 122.820 -0.032 0.000 1.902 81 A HA -0.130 4.190 4.320 0.000 0.000 0.217 81 A C 2.518 180.067 177.584 -0.058 0.000 1.181 81 A CA 1.685 53.697 52.037 -0.042 0.000 0.623 81 A CB -0.785 18.191 19.000 -0.040 0.000 0.818 81 A HN 0.198 nan 8.150 nan 0.000 0.443 82 V N 0.002 119.883 119.914 -0.054 0.000 2.295 82 V HA -0.267 3.853 4.120 0.000 0.000 0.246 82 V C 2.630 178.687 176.094 -0.061 0.000 1.049 82 V CA 2.246 64.508 62.300 -0.063 0.000 1.024 82 V CB -0.830 30.962 31.823 -0.052 0.000 0.648 82 V HN 0.523 nan 8.190 nan 0.000 0.447 83 R N -0.231 120.242 120.500 -0.045 0.000 2.096 83 R HA -0.146 4.194 4.340 0.000 0.000 0.235 83 R C 2.670 178.944 176.300 -0.044 0.000 1.127 83 R CA 1.622 57.699 56.100 -0.039 0.000 0.968 83 R CB -0.508 29.775 30.300 -0.028 0.000 0.861 83 R HN 0.489 nan 8.270 nan 0.000 0.440 84 S N 0.519 116.190 115.700 -0.047 0.000 2.355 84 S HA -0.190 4.280 4.470 0.000 0.000 0.222 84 S C 1.976 176.530 174.600 -0.076 0.000 1.031 84 S CA 1.388 59.559 58.200 -0.048 0.000 0.993 84 S CB 0.000 63.176 63.200 -0.040 0.000 0.859 84 S HN 0.212 nan 8.310 nan 0.000 0.453 85 Q N 0.906 120.639 119.800 -0.112 0.000 2.119 85 Q HA 0.030 4.370 4.340 0.000 0.000 0.201 85 Q C 1.954 177.828 176.000 -0.210 0.000 0.972 85 Q CA 1.731 57.415 55.803 -0.199 0.000 0.847 85 Q CB -0.944 27.646 28.738 -0.246 0.000 0.903 85 Q HN 0.377 nan 8.270 nan 0.000 0.433 86 V N -0.022 119.809 119.914 -0.137 0.000 2.594 86 V HA -0.105 4.016 4.120 0.000 0.000 0.253 86 V C 1.821 177.876 176.094 -0.064 0.000 1.069 86 V CA 2.092 64.330 62.300 -0.103 0.000 1.082 86 V CB -0.726 31.057 31.823 -0.068 0.000 0.680 86 V HN 0.572 nan 8.190 nan 0.000 0.469 87 G N -1.262 107.507 108.800 -0.051 0.000 2.534 87 G HA2 -0.146 3.815 3.960 0.000 0.000 0.217 87 G HA3 -0.146 3.815 3.960 0.000 0.000 0.217 87 G C 1.149 176.052 174.900 0.006 0.000 1.128 87 G CA 0.787 45.876 45.100 -0.017 0.000 0.784 87 G HN 0.557 nan 8.290 nan 0.000 0.542 88 D N -0.207 120.182 120.400 -0.017 0.000 2.320 88 D HA 0.173 4.814 4.640 0.000 0.000 0.228 88 D C 0.420 176.853 176.300 0.221 0.000 0.978 88 D CA 0.664 54.707 54.000 0.071 0.000 0.905 88 D CB 0.170 40.987 40.800 0.029 0.000 1.051 88 D HN 0.399 nan 8.370 nan 0.000 0.471 89 F N -2.266 117.661 119.950 -0.038 0.000 2.688 89 F HA 0.350 4.877 4.527 0.000 0.000 0.308 89 F C 0.774 176.546 175.800 -0.047 0.000 1.117 89 F CA -0.866 57.109 58.000 -0.041 0.000 0.976 89 F CB 0.631 39.595 39.000 -0.060 0.000 1.291 89 F HN -0.242 nan 8.300 nan 0.000 0.439 90 T N -2.247 112.379 114.554 0.121 0.000 3.035 90 T HA 0.226 4.577 4.350 0.000 0.000 0.259 90 T C -0.038 174.769 174.700 0.179 0.000 1.078 90 T CA 1.556 63.691 62.100 0.058 0.000 1.132 90 T CB -0.455 68.460 68.868 0.079 0.000 0.900 90 T HN 1.080 nan 8.240 nan 0.000 0.480 91 H N -0.381 118.805 119.070 0.193 0.000 3.153 91 H HA 0.383 4.940 4.556 0.000 0.000 0.323 91 H C 0.148 175.602 175.328 0.209 0.000 1.096 91 H CA 0.096 56.267 56.048 0.205 0.000 1.385 91 H CB 1.085 30.965 29.762 0.196 0.000 2.027 91 H HN 0.024 nan 8.280 nan 0.000 0.499 92 T N 1.054 115.463 114.554 -0.242 0.000 3.003 92 T HA 0.150 4.501 4.350 0.000 0.000 0.261 92 T C 0.444 174.941 174.700 -0.338 0.000 1.003 92 T CA 0.348 62.311 62.100 -0.229 0.000 0.917 92 T CB -0.619 68.139 68.868 -0.184 0.000 1.084 92 T HN 1.045 nan 8.240 nan 0.000 0.522 93 C N 1.600 120.491 119.300 -0.682 0.000 1.500 93 C HA -0.203 4.257 4.460 0.000 0.000 0.228 93 C C 1.043 176.080 174.990 0.078 0.000 0.664 93 C CA -0.525 58.383 59.018 -0.183 0.000 3.225 93 C CB -2.570 25.171 27.740 0.002 0.000 1.911 93 C HN 0.677 nan 8.230 nan 0.000 0.319 94 F N 4.799 124.777 119.950 0.047 0.000 2.161 94 F HA -0.094 4.433 4.527 0.000 0.000 0.300 94 F C 1.978 177.630 175.800 -0.245 0.000 1.089 94 F CA 2.538 60.393 58.000 -0.243 0.000 1.282 94 F CB -0.131 38.489 39.000 -0.634 0.000 1.010 94 F HN 0.735 nan 8.300 nan 0.000 0.485 95 M N -1.090 118.468 119.600 -0.070 0.000 2.460 95 M HA -0.124 4.356 4.480 0.000 0.000 0.263 95 M C 1.591 177.802 176.300 -0.148 0.000 1.071 95 M CA 0.682 55.913 55.300 -0.115 0.000 1.096 95 M CB -0.385 32.219 32.600 0.006 0.000 1.408 95 M HN 0.070 nan 8.290 nan 0.000 0.463 96 V N -1.075 118.759 119.914 -0.132 0.000 2.543 96 V HA 0.022 4.142 4.120 0.000 0.000 0.232 96 V C 0.758 176.744 176.094 -0.179 0.000 1.087 96 V CA 0.993 63.222 62.300 -0.119 0.000 1.113 96 V CB 0.151 31.939 31.823 -0.058 0.000 0.779 96 V HN 0.226 nan 8.190 nan 0.000 0.495 97 T N 3.423 117.873 114.554 -0.174 0.000 2.842 97 T HA 0.417 4.768 4.350 0.000 0.000 0.308 97 T C -2.620 171.945 174.700 -0.224 0.000 1.041 97 T CA -0.959 61.025 62.100 -0.194 0.000 0.964 97 T CB 1.766 70.545 68.868 -0.149 0.000 0.972 97 T HN 0.250 nan 8.240 nan 0.000 0.460 98 P HA 0.349 nan 4.420 nan 0.000 0.275 98 P C -1.362 175.856 177.300 -0.137 0.000 1.266 98 P CA -0.414 62.226 63.100 -0.768 0.000 0.793 98 P CB 0.553 31.573 31.700 -1.132 0.000 1.074 99 Y N -4.392 116.014 120.300 0.176 0.000 2.581 99 Y HA 0.403 4.953 4.550 0.000 0.000 0.337 99 Y C 1.415 177.515 175.900 0.333 0.000 1.108 99 Y CA -1.128 57.127 58.100 0.258 0.000 1.033 99 Y CB 0.343 39.047 38.460 0.405 0.000 1.318 99 Y HN 0.404 nan 8.280 nan 0.000 0.459 100 E N 1.488 121.916 120.200 0.381 0.000 2.118 100 E HA -0.111 4.239 4.350 0.000 0.000 0.195 100 E C 2.014 178.774 176.600 0.266 0.000 0.992 100 E CA 1.865 58.421 56.400 0.260 0.000 0.804 100 E CB -0.430 29.388 29.700 0.197 0.000 0.741 100 E HN 1.071 nan 8.360 nan 0.000 0.458 101 G N 0.003 109.026 108.800 0.372 0.000 2.469 101 G HA2 -0.331 3.630 3.960 0.000 0.000 0.219 101 G HA3 -0.331 3.630 3.960 0.000 0.000 0.219 101 G C 1.340 176.368 174.900 0.212 0.000 1.150 101 G CA 1.124 46.396 45.100 0.287 0.000 0.763 101 G HN 0.389 nan 8.290 nan 0.000 0.561 102 Y N 1.114 121.450 120.300 0.060 0.000 2.133 102 Y HA -0.086 4.464 4.550 0.000 0.000 0.287 102 Y C 2.925 178.678 175.900 -0.246 0.000 1.134 102 Y CA 1.416 59.359 58.100 -0.262 0.000 1.133 102 Y CB -0.436 37.496 38.460 -0.880 0.000 0.987 102 Y HN 0.040 nan 8.280 nan 0.000 0.502 103 V N 0.421 120.427 119.914 0.153 0.000 2.287 103 V HA -0.354 3.766 4.120 0.000 0.000 0.248 103 V C 2.662 178.790 176.094 0.057 0.000 1.053 103 V CA 1.916 64.287 62.300 0.118 0.000 1.027 103 V CB -1.678 30.231 31.823 0.144 0.000 0.646 103 V HN 0.544 nan 8.190 nan 0.000 0.447 104 A N -0.310 122.549 122.820 0.065 0.000 1.902 104 A HA -0.158 4.162 4.320 0.000 0.000 0.217 104 A C 2.399 179.990 177.584 0.010 0.000 1.181 104 A CA 2.057 54.120 52.037 0.044 0.000 0.623 104 A CB -0.703 18.332 19.000 0.058 0.000 0.818 104 A HN 0.335 nan 8.150 nan 0.000 0.443 105 V N -0.783 119.113 119.914 -0.029 0.000 2.343 105 V HA -0.327 3.794 4.120 0.000 0.000 0.247 105 V C 2.662 178.714 176.094 -0.071 0.000 1.051 105 V CA 2.050 64.311 62.300 -0.065 0.000 1.036 105 V CB -1.062 30.675 31.823 -0.144 0.000 0.654 105 V HN 0.724 nan 8.190 nan 0.000 0.451 106 C N -0.219 119.014 119.300 -0.113 0.000 2.429 106 C HA -0.158 4.302 4.460 0.000 0.000 0.277 106 C C 2.664 177.641 174.990 -0.021 0.000 1.262 106 C CA 1.013 59.981 59.018 -0.084 0.000 1.733 106 C CB -1.010 26.686 27.740 -0.073 0.000 2.010 106 C HN 0.625 nan 8.230 nan 0.000 0.483 107 E N 0.110 120.311 120.200 0.001 0.000 2.085 107 E HA -0.237 4.113 4.350 0.000 0.000 0.194 107 E C 2.393 179.008 176.600 0.025 0.000 0.994 107 E CA 1.108 57.518 56.400 0.017 0.000 0.801 107 E CB -0.164 29.552 29.700 0.026 0.000 0.743 107 E HN 0.619 nan 8.360 nan 0.000 0.453 108 Q N 0.302 120.123 119.800 0.036 0.000 2.079 108 Q HA -0.098 4.242 4.340 0.000 0.000 0.200 108 Q C 2.434 178.485 176.000 0.085 0.000 0.974 108 Q CA 0.940 56.782 55.803 0.065 0.000 0.840 108 Q CB -0.263 28.524 28.738 0.082 0.000 0.898 108 Q HN 0.369 nan 8.270 nan 0.000 0.430 109 L N 1.097 122.367 121.223 0.077 0.000 2.046 109 L HA -0.219 4.121 4.340 0.000 0.000 0.208 109 L C 1.988 178.859 176.870 0.002 0.000 1.077 109 L CA 0.988 55.870 54.840 0.069 0.000 0.747 109 L CB -0.498 41.587 42.059 0.043 0.000 0.896 109 L HN 0.207 nan 8.230 nan 0.000 0.432 110 N N -0.005 118.694 118.700 -0.002 0.000 2.166 110 N HA -0.205 4.535 4.740 0.000 0.000 0.186 110 N C 1.863 177.369 175.510 -0.008 0.000 1.019 110 N CA 1.173 54.213 53.050 -0.016 0.000 0.856 110 N CB -0.335 38.148 38.487 -0.008 0.000 0.993 110 N HN 0.330 nan 8.380 nan 0.000 0.426 111 R N 0.714 121.223 120.500 0.015 0.000 2.073 111 R HA 0.057 4.397 4.340 0.000 0.000 0.229 111 R C 1.778 178.098 176.300 0.033 0.000 1.120 111 R CA 0.858 56.972 56.100 0.023 0.000 0.967 111 R CB -0.125 30.196 30.300 0.034 0.000 0.862 111 R HN 0.159 nan 8.270 nan 0.000 0.436 112 L N 0.830 122.088 121.223 0.058 0.000 2.375 112 L HA 0.084 4.424 4.340 0.000 0.000 0.215 112 L C 0.911 177.853 176.870 0.119 0.000 1.108 112 L CA 0.411 55.321 54.840 0.115 0.000 0.830 112 L CB -0.009 42.168 42.059 0.196 0.000 0.959 112 L HN 0.259 nan 8.230 nan 0.000 0.457 113 T N -2.761 111.755 114.554 -0.063 0.000 2.868 113 T HA 0.166 4.516 4.350 0.000 0.000 0.292 113 T C -1.691 172.910 174.700 -0.166 0.000 1.028 113 T CA -1.517 60.384 62.100 -0.331 0.000 1.059 113 T CB 0.853 69.465 68.868 -0.426 0.000 0.991 113 T HN -0.075 nan 8.240 nan 0.000 0.531 114 P HA 0.148 nan 4.420 nan 0.000 0.249 114 P C 0.194 177.450 177.300 -0.073 0.000 1.229 114 P CA -0.186 62.870 63.100 -0.073 0.000 0.788 114 P CB -0.104 31.574 31.700 -0.035 0.000 1.072 115 V N 1.794 121.647 119.914 -0.101 0.000 2.763 115 V HA -0.007 4.113 4.120 0.000 0.000 0.306 115 V C 1.201 177.263 176.094 -0.054 0.000 1.059 115 V CA 0.351 62.608 62.300 -0.070 0.000 1.138 115 V CB -0.095 31.682 31.823 -0.077 0.000 0.940 115 V HN 0.101 nan 8.190 nan 0.000 0.489 116 R N 2.324 122.798 120.500 -0.043 0.000 2.598 116 R HA 0.691 5.031 4.340 0.000 0.000 0.279 116 R C 0.616 176.898 176.300 -0.030 0.000 0.984 116 R CA 0.272 56.352 56.100 -0.034 0.000 0.999 116 R CB 1.608 31.888 30.300 -0.033 0.000 1.114 116 R HN 1.118 nan 8.270 nan 0.000 0.493 117 G N 1.495 110.281 108.800 -0.024 0.000 2.584 117 G HA2 -0.268 3.693 3.960 0.000 0.000 0.229 117 G HA3 -0.268 3.693 3.960 0.000 0.000 0.229 117 G C -1.013 173.875 174.900 -0.019 0.000 1.320 117 G CA -0.271 44.817 45.100 -0.020 0.000 0.891 117 G HN 0.637 nan 8.290 nan 0.000 0.573 118 D N 1.047 121.438 120.400 -0.016 0.000 2.425 118 D HA 0.528 5.168 4.640 0.000 0.000 0.247 118 D C 0.429 176.718 176.300 -0.019 0.000 1.147 118 D CA 0.555 54.547 54.000 -0.013 0.000 0.879 118 D CB 0.394 41.188 40.800 -0.009 0.000 1.179 118 D HN 0.534 nan 8.370 nan 0.000 0.456 119 K N 2.864 123.254 120.400 -0.018 0.000 2.385 119 K HA 0.605 4.925 4.320 0.000 0.000 0.248 119 K C -0.340 176.251 176.600 -0.015 0.000 0.955 119 K CA -1.016 55.257 56.287 -0.023 0.000 0.816 119 K CB 1.980 34.461 32.500 -0.031 0.000 1.250 119 K HN 0.255 nan 8.250 nan 0.000 0.434 120 R N 0.425 120.915 120.500 -0.016 0.000 2.808 120 R HA 0.566 4.906 4.340 0.000 0.000 0.272 120 R C -0.932 175.362 176.300 -0.011 0.000 0.995 120 R CA -0.879 55.217 56.100 -0.006 0.000 0.917 120 R CB 2.128 32.430 30.300 0.004 0.000 1.217 120 R HN 0.630 nan 8.270 nan 0.000 0.471 121 S N -0.306 115.387 115.700 -0.011 0.000 2.632 121 S HA 0.899 5.369 4.470 0.000 0.000 0.289 121 S C -1.222 173.358 174.600 -0.033 0.000 1.115 121 S CA -0.701 57.483 58.200 -0.027 0.000 0.889 121 S CB 2.396 65.560 63.200 -0.059 0.000 1.116 121 S HN 0.715 nan 8.310 nan 0.000 0.486 122 A N 1.371 124.149 122.820 -0.070 0.000 2.515 122 A HA 0.821 5.141 4.320 0.000 0.000 0.298 122 A C -1.713 175.553 177.584 -0.529 0.000 1.059 122 A CA -0.644 51.276 52.037 -0.194 0.000 0.698 122 A CB 0.925 19.899 19.000 -0.044 0.000 1.289 122 A HN 0.678 nan 8.150 nan 0.000 0.404 123 L N 1.331 122.040 121.223 -0.857 0.000 2.334 123 L HA 0.770 5.110 4.340 0.000 0.000 0.276 123 L C -0.921 175.275 176.870 -1.123 0.000 1.014 123 L CA -0.341 53.977 54.840 -0.871 0.000 0.815 123 L CB 1.441 42.932 42.059 -0.947 0.000 1.268 123 L HN 0.785 nan 8.230 nan 0.000 0.428 124 F N -0.320 119.631 119.950 0.002 0.000 2.953 124 F HA 0.479 5.006 4.527 0.000 0.000 0.360 124 F C 1.075 176.911 175.800 0.060 0.000 1.249 124 F CA -0.844 57.193 58.000 0.063 0.000 1.063 124 F CB 0.501 39.535 39.000 0.057 0.000 1.500 124 F HN 0.303 nan 8.300 nan 0.000 0.517 125 N N -0.265 118.608 118.700 0.287 0.000 2.513 125 N HA 0.047 4.788 4.740 0.000 0.000 0.196 125 N C 0.130 175.718 175.510 0.129 0.000 1.041 125 N CA 0.826 53.978 53.050 0.171 0.000 0.916 125 N CB -0.124 38.470 38.487 0.178 0.000 1.172 125 N HN 0.477 nan 8.380 nan 0.000 0.444 126 S N -0.699 115.079 115.700 0.131 0.000 2.638 126 S HA 0.568 5.039 4.470 0.000 0.000 0.298 126 S C 1.276 175.931 174.600 0.090 0.000 1.111 126 S CA -0.405 57.850 58.200 0.092 0.000 1.027 126 S CB 1.836 65.081 63.200 0.074 0.000 1.064 126 S HN 0.228 nan 8.310 nan 0.000 0.525 127 G N 1.284 110.132 108.800 0.080 0.000 2.442 127 G HA2 -0.236 3.725 3.960 0.000 0.000 0.219 127 G HA3 -0.236 3.725 3.960 0.000 0.000 0.219 127 G C 1.602 176.526 174.900 0.041 0.000 1.141 127 G CA 1.185 46.331 45.100 0.077 0.000 0.763 127 G HN 1.058 nan 8.290 nan 0.000 0.554 128 S N 0.676 116.391 115.700 0.024 0.000 2.368 128 S HA -0.102 4.369 4.470 0.000 0.000 0.225 128 S C 1.976 176.549 174.600 -0.045 0.000 1.030 128 S CA 1.638 59.828 58.200 -0.018 0.000 0.999 128 S CB -0.428 62.762 63.200 -0.017 0.000 0.844 128 S HN 0.578 nan 8.310 nan 0.000 0.459 129 E N 1.806 121.986 120.200 -0.033 0.000 2.077 129 E HA -0.071 4.279 4.350 0.000 0.000 0.193 129 E C 2.453 178.900 176.600 -0.255 0.000 0.989 129 E CA 1.064 57.395 56.400 -0.115 0.000 0.800 129 E CB -0.429 29.254 29.700 -0.028 0.000 0.746 129 E HN 0.720 nan 8.360 nan 0.000 0.452 130 A N 0.910 123.665 122.820 -0.108 0.000 1.898 130 A HA -0.128 4.192 4.320 0.000 0.000 0.216 130 A C 2.502 180.021 177.584 -0.109 0.000 1.181 130 A CA 1.058 53.045 52.037 -0.083 0.000 0.620 130 A CB -0.590 18.485 19.000 0.125 0.000 0.819 130 A HN 0.106 nan 8.150 nan 0.000 0.442 131 V N 0.443 120.315 119.914 -0.070 0.000 2.295 131 V HA -0.259 3.862 4.120 0.000 0.000 0.246 131 V C 2.496 178.515 176.094 -0.125 0.000 1.049 131 V CA 2.148 64.400 62.300 -0.081 0.000 1.024 131 V CB -0.825 30.961 31.823 -0.062 0.000 0.648 131 V HN 0.558 nan 8.190 nan 0.000 0.447 132 E N 0.309 120.423 120.200 -0.144 0.000 2.070 132 E HA -0.237 4.113 4.350 0.000 0.000 0.197 132 E C 2.111 178.602 176.600 -0.182 0.000 1.004 132 E CA 1.427 57.737 56.400 -0.149 0.000 0.805 132 E CB -0.396 29.215 29.700 -0.149 0.000 0.744 132 E HN 0.638 nan 8.360 nan 0.000 0.451 133 N N 0.478 118.998 118.700 -0.300 0.000 2.188 133 N HA -0.098 4.642 4.740 0.000 0.000 0.184 133 N C 1.857 177.293 175.510 -0.123 0.000 1.018 133 N CA 0.989 53.860 53.050 -0.299 0.000 0.858 133 N CB -0.061 38.007 38.487 -0.699 0.000 0.989 133 N HN 0.087 nan 8.380 nan 0.000 0.426 134 A N 0.978 123.741 122.820 -0.096 0.000 1.902 134 A HA -0.086 4.234 4.320 0.000 0.000 0.217 134 A C 2.526 180.083 177.584 -0.044 0.000 1.181 134 A CA 1.183 53.193 52.037 -0.045 0.000 0.623 134 A CB -0.699 18.273 19.000 -0.045 0.000 0.818 134 A HN 0.095 nan 8.150 nan 0.000 0.443 135 V N -0.050 119.824 119.914 -0.067 0.000 2.358 135 V HA -0.260 3.860 4.120 0.000 0.000 0.246 135 V C 2.446 178.527 176.094 -0.022 0.000 1.047 135 V CA 2.336 64.607 62.300 -0.050 0.000 1.035 135 V CB -0.656 31.126 31.823 -0.069 0.000 0.658 135 V HN 0.553 nan 8.190 nan 0.000 0.452 136 K N -0.162 120.218 120.400 -0.032 0.000 2.032 136 K HA -0.176 4.144 4.320 0.000 0.000 0.209 136 K C 2.017 178.630 176.600 0.023 0.000 1.048 136 K CA 1.831 58.114 56.287 -0.006 0.000 0.927 136 K CB -0.363 32.122 32.500 -0.026 0.000 0.712 136 K HN 0.377 nan 8.250 nan 0.000 0.441 137 I N 0.739 121.319 120.570 0.017 0.000 2.226 137 I HA -0.293 3.877 4.170 0.000 0.000 0.245 137 I C 2.462 178.623 176.117 0.073 0.000 1.100 137 I CA 1.197 62.522 61.300 0.042 0.000 1.374 137 I CB -0.306 37.713 38.000 0.031 0.000 1.057 137 I HN 0.185 nan 8.210 nan 0.000 0.413 138 A N 0.676 123.529 122.820 0.055 0.000 1.898 138 A HA -0.184 4.136 4.320 0.000 0.000 0.216 138 A C 2.380 180.026 177.584 0.104 0.000 1.181 138 A CA 1.383 53.471 52.037 0.085 0.000 0.620 138 A CB -0.519 18.510 19.000 0.048 0.000 0.819 138 A HN 0.294 nan 8.150 nan 0.000 0.442 139 R N -0.692 119.850 120.500 0.070 0.000 2.081 139 R HA -0.103 4.237 4.340 0.000 0.000 0.235 139 R C 2.657 179.016 176.300 0.099 0.000 1.131 139 R CA 1.477 57.616 56.100 0.065 0.000 0.960 139 R CB -0.446 29.879 30.300 0.042 0.000 0.856 139 R HN 0.549 nan 8.270 nan 0.000 0.436 140 S N 0.059 115.827 115.700 0.114 0.000 2.356 140 S HA -0.238 4.232 4.470 0.000 0.000 0.223 140 S C 1.935 176.625 174.600 0.149 0.000 1.032 140 S CA 1.703 59.986 58.200 0.138 0.000 1.005 140 S CB -0.240 63.037 63.200 0.128 0.000 0.867 140 S HN 0.488 nan 8.310 nan 0.000 0.449 141 H N 0.626 119.734 119.070 0.064 0.000 2.326 141 H HA -0.028 4.528 4.556 0.000 0.000 0.301 141 H C 2.324 177.690 175.328 0.064 0.000 1.081 141 H CA 2.528 58.609 56.048 0.055 0.000 1.334 141 H CB -0.591 29.195 29.762 0.039 0.000 1.385 141 H HN 0.575 nan 8.280 nan 0.000 0.504 142 T N -3.652 110.908 114.554 0.011 0.000 3.054 142 T HA -0.050 4.300 4.350 0.000 0.000 0.259 142 T C 0.820 175.549 174.700 0.049 0.000 1.092 142 T CA 0.811 62.888 62.100 -0.038 0.000 1.121 142 T CB -0.405 68.488 68.868 0.042 0.000 0.912 142 T HN 0.676 nan 8.240 nan 0.000 0.489 143 H N 1.225 120.276 119.070 -0.032 0.000 2.820 143 H HA -0.140 4.416 4.556 0.000 0.000 0.295 143 H C -0.651 174.674 175.328 -0.006 0.000 1.187 143 H CA 0.744 56.783 56.048 -0.015 0.000 1.144 143 H CB -1.965 27.780 29.762 -0.030 0.000 1.354 143 H HN 0.560 nan 8.280 nan 0.000 0.395 144 K N -0.133 120.221 120.400 -0.077 0.000 2.259 144 K HA 0.283 4.603 4.320 0.000 0.000 0.249 144 K C -1.846 174.717 176.600 -0.062 0.000 0.942 144 K CA -1.307 54.924 56.287 -0.094 0.000 0.816 144 K CB 2.172 34.653 32.500 -0.032 0.000 1.155 144 K HN 0.003 nan 8.250 nan 0.000 0.428 145 P HA -0.012 nan 4.420 nan 0.000 0.220 145 P C -0.034 177.284 177.300 0.031 0.000 1.154 145 P CA 0.521 63.612 63.100 -0.015 0.000 0.837 145 P CB 0.346 32.039 31.700 -0.012 0.000 0.815 146 A N 0.455 123.306 122.820 0.052 0.000 2.322 146 A HA 0.500 4.820 4.320 0.000 0.000 0.269 146 A C -0.226 177.408 177.584 0.083 0.000 1.094 146 A CA -0.200 51.907 52.037 0.116 0.000 0.807 146 A CB 0.506 19.583 19.000 0.128 0.000 1.047 146 A HN -0.029 nan 8.150 nan 0.000 0.487 147 V N 1.652 121.630 119.914 0.106 0.000 2.709 147 V HA 0.526 4.646 4.120 0.000 0.000 0.308 147 V C -0.475 175.655 176.094 0.060 0.000 1.062 147 V CA -0.643 61.684 62.300 0.045 0.000 0.901 147 V CB 1.544 33.361 31.823 -0.011 0.000 1.003 147 V HN 0.797 nan 8.190 nan 0.000 0.425 148 V N 4.010 123.922 119.914 -0.004 0.000 2.513 148 V HA 0.964 5.084 4.120 0.000 0.000 0.299 148 V C 0.149 176.152 176.094 -0.151 0.000 1.035 148 V CA 0.162 62.415 62.300 -0.078 0.000 0.889 148 V CB 1.540 33.267 31.823 -0.159 0.000 0.988 148 V HN 1.206 nan 8.190 nan 0.000 0.440 149 A N 5.417 128.127 122.820 -0.183 0.000 2.437 149 A HA 0.958 5.278 4.320 0.000 0.000 0.292 149 A C -1.363 176.080 177.584 -0.235 0.000 1.173 149 A CA -0.626 51.370 52.037 -0.069 0.000 0.785 149 A CB 1.405 20.415 19.000 0.018 0.000 1.351 149 A HN 0.714 nan 8.150 nan 0.000 0.431 150 F N -0.251 119.765 119.950 0.109 0.000 2.541 150 F HA 0.404 4.931 4.527 0.000 0.000 0.331 150 F C 0.554 176.393 175.800 0.065 0.000 1.057 150 F CA -0.330 57.736 58.000 0.109 0.000 0.975 150 F CB 1.030 40.133 39.000 0.173 0.000 1.246 150 F HN 0.598 nan 8.300 nan 0.000 0.484 151 D N 0.809 121.333 120.400 0.207 0.000 2.478 151 D HA -0.027 4.613 4.640 0.000 0.000 0.234 151 D C 0.619 176.944 176.300 0.040 0.000 1.154 151 D CA 1.219 55.215 54.000 -0.007 0.000 0.874 151 D CB 0.120 40.882 40.800 -0.064 0.000 1.198 151 D HN 0.615 nan 8.370 nan 0.000 0.455 152 H N -1.117 118.011 119.070 0.098 0.000 3.395 152 H HA -0.199 4.357 4.556 0.000 0.000 0.222 152 H C 0.140 175.493 175.328 0.042 0.000 1.099 152 H CA 0.921 56.998 56.048 0.048 0.000 1.182 152 H CB -1.981 27.785 29.762 0.007 0.000 1.188 152 H HN 0.421 nan 8.280 nan 0.000 0.317 153 A N 0.337 123.230 122.820 0.123 0.000 2.351 153 A HA 0.504 4.824 4.320 0.000 0.000 0.257 153 A C -0.419 177.119 177.584 -0.077 0.000 1.087 153 A CA -0.164 51.890 52.037 0.028 0.000 0.798 153 A CB 0.699 19.791 19.000 0.153 0.000 1.033 153 A HN 0.334 nan 8.150 nan 0.000 0.488 154 Y N 0.955 120.991 120.300 -0.440 0.000 2.386 154 Y HA 0.503 5.053 4.550 0.000 0.000 0.334 154 Y C 0.100 175.606 175.900 -0.657 0.000 1.002 154 Y CA -0.545 57.288 58.100 -0.445 0.000 1.068 154 Y CB 1.453 39.696 38.460 -0.361 0.000 1.203 154 Y HN 0.796 nan 8.280 nan 0.000 0.443 155 H N 3.429 121.998 119.070 -0.836 0.000 3.535 155 H HA 0.472 5.028 4.556 0.000 0.000 0.260 155 H C 0.608 175.584 175.328 -0.586 0.000 1.173 155 H CA 0.466 56.209 56.048 -0.509 0.000 1.168 155 H CB 1.479 31.080 29.762 -0.269 0.000 1.568 155 H HN 0.866 nan 8.280 nan 0.000 0.602 156 G N 0.695 108.919 108.800 -0.961 0.000 2.346 156 G HA2 -0.038 3.922 3.960 0.000 0.000 0.294 156 G HA3 -0.038 3.922 3.960 0.000 0.000 0.294 156 G C -0.429 174.305 174.900 -0.276 0.000 1.294 156 G CA -0.881 43.932 45.100 -0.479 0.000 0.962 156 G HN 0.115 nan 8.290 nan 0.000 0.508 157 R N -0.200 120.263 120.500 -0.061 0.000 2.508 157 R HA 0.276 4.616 4.340 0.000 0.000 0.300 157 R C 1.216 177.519 176.300 0.005 0.000 0.970 157 R CA 0.569 56.681 56.100 0.020 0.000 1.102 157 R CB 0.796 31.142 30.300 0.078 0.000 1.246 157 R HN 0.798 nan 8.270 nan 0.000 0.539 158 T N -2.204 112.347 114.554 -0.006 0.000 2.788 158 T HA 0.046 4.396 4.350 0.000 0.000 0.280 158 T C 1.167 175.901 174.700 0.057 0.000 0.984 158 T CA -0.663 61.442 62.100 0.008 0.000 0.972 158 T CB 1.241 70.105 68.868 -0.007 0.000 1.039 158 T HN -0.060 nan 8.240 nan 0.000 0.530 159 N N -0.146 118.602 118.700 0.080 0.000 2.069 159 N HA -0.126 4.615 4.740 0.000 0.000 0.191 159 N C 1.821 177.440 175.510 0.183 0.000 1.031 159 N CA 1.627 54.783 53.050 0.176 0.000 0.852 159 N CB -0.407 38.142 38.487 0.104 0.000 1.018 159 N HN 0.699 nan 8.380 nan 0.000 0.423 160 L N 0.816 122.083 121.223 0.073 0.000 2.109 160 L HA -0.078 4.262 4.340 0.000 0.000 0.207 160 L C 2.463 179.320 176.870 -0.021 0.000 1.086 160 L CA 1.764 56.622 54.840 0.029 0.000 0.760 160 L CB -0.642 41.413 42.059 -0.006 0.000 0.910 160 L HN 0.294 nan 8.230 nan 0.000 0.437 161 T N -3.249 111.282 114.554 -0.040 0.000 2.951 161 T HA -0.146 4.205 4.350 0.000 0.000 0.268 161 T C 1.833 176.458 174.700 -0.124 0.000 1.073 161 T CA 1.206 63.253 62.100 -0.089 0.000 1.134 161 T CB -0.377 68.428 68.868 -0.106 0.000 0.884 161 T HN 0.295 nan 8.240 nan 0.000 0.479 162 M N 1.372 120.930 119.600 -0.070 0.000 2.108 162 M HA 0.009 4.489 4.480 0.000 0.000 0.261 162 M C 2.982 179.108 176.300 -0.291 0.000 1.066 162 M CA 1.833 57.064 55.300 -0.114 0.000 1.107 162 M CB -0.643 32.001 32.600 0.073 0.000 1.356 162 M HN 0.483 nan 8.290 nan 0.000 0.406 163 A N 0.526 123.211 122.820 -0.224 0.000 1.908 163 A HA -0.159 4.161 4.320 0.000 0.000 0.218 163 A C 2.080 179.554 177.584 -0.183 0.000 1.181 163 A CA 1.527 53.409 52.037 -0.258 0.000 0.627 163 A CB -0.986 17.983 19.000 -0.052 0.000 0.818 163 A HN 0.478 nan 8.150 nan 0.000 0.445 164 L N -0.403 120.750 121.223 -0.118 0.000 2.141 164 L HA -0.059 4.281 4.340 0.000 0.000 0.209 164 L C 0.796 177.688 176.870 0.036 0.000 1.094 164 L CA 0.512 55.318 54.840 -0.056 0.000 0.763 164 L CB -0.698 41.297 42.059 -0.106 0.000 0.908 164 L HN 0.205 nan 8.230 nan 0.000 0.437 165 T N -0.221 114.293 114.554 -0.068 0.000 2.901 165 T HA 0.225 4.575 4.350 0.000 0.000 0.301 165 T C 1.042 175.709 174.700 -0.055 0.000 1.012 165 T CA 0.270 62.311 62.100 -0.098 0.000 1.135 165 T CB 1.922 70.658 68.868 -0.219 0.000 0.936 165 T HN 0.249 nan 8.240 nan 0.000 0.539 166 A N 3.544 126.362 122.820 -0.004 0.000 1.903 166 A HA 0.144 4.464 4.320 0.000 0.000 0.213 166 A C 1.176 178.762 177.584 0.003 0.000 1.185 166 A CA 0.722 52.747 52.037 -0.020 0.000 0.628 166 A CB -0.021 18.958 19.000 -0.036 0.000 0.830 166 A HN 0.660 nan 8.150 nan 0.000 0.446 167 K N 0.472 120.931 120.400 0.099 0.000 2.258 167 K HA 0.406 4.726 4.320 0.000 0.000 0.284 167 K C 0.518 177.208 176.600 0.150 0.000 1.051 167 K CA -0.305 56.055 56.287 0.122 0.000 0.923 167 K CB 1.282 33.899 32.500 0.195 0.000 1.046 167 K HN 0.017 nan 8.250 nan 0.000 0.474 168 V N 4.081 124.021 119.914 0.043 0.000 2.407 168 V HA -0.067 4.053 4.120 0.000 0.000 0.245 168 V C 1.168 177.252 176.094 -0.016 0.000 1.041 168 V CA 0.971 63.286 62.300 0.025 0.000 1.040 168 V CB -0.118 31.703 31.823 -0.003 0.000 0.671 168 V HN 0.788 nan 8.190 nan 0.000 0.455 169 M N 2.527 122.081 119.600 -0.077 0.000 2.080 169 M HA 0.306 4.787 4.480 0.000 0.000 0.350 169 M C -2.127 173.970 176.300 -0.338 0.000 1.173 169 M CA -2.142 53.070 55.300 -0.147 0.000 1.052 169 M CB 1.309 33.849 32.600 -0.100 0.000 1.577 169 M HN 0.028 nan 8.290 nan 0.000 0.455 170 P HA 0.091 nan 4.420 nan 0.000 0.275 170 P C 0.284 177.564 177.300 -0.034 0.000 1.310 170 P CA 0.405 63.366 63.100 -0.232 0.000 0.904 170 P CB 0.128 31.713 31.700 -0.191 0.000 1.381 171 Y N 1.763 122.177 120.300 0.191 0.000 2.293 171 Y HA -0.026 4.525 4.550 0.000 0.000 0.291 171 Y C 2.164 178.288 175.900 0.373 0.000 1.137 171 Y CA 1.192 59.452 58.100 0.267 0.000 1.202 171 Y CB -0.661 37.947 38.460 0.246 0.000 0.990 171 Y HN -0.000 nan 8.280 nan 0.000 0.537 172 K N -0.923 119.714 120.400 0.394 0.000 2.412 172 K HA 0.063 4.383 4.320 0.000 0.000 0.202 172 K C -0.188 176.540 176.600 0.213 0.000 1.102 172 K CA 0.042 56.573 56.287 0.406 0.000 1.027 172 K CB 0.403 32.931 32.500 0.047 0.000 0.931 172 K HN -0.032 nan 8.250 nan 0.000 0.557 173 D N 1.276 121.594 120.400 -0.135 0.000 2.389 173 D HA 0.062 4.702 4.640 0.000 0.000 0.263 173 D C 0.971 176.865 176.300 -0.676 0.000 1.255 173 D CA 1.434 55.258 54.000 -0.295 0.000 0.914 173 D CB 0.308 40.971 40.800 -0.229 0.000 1.116 173 D HN 0.417 nan 8.370 nan 0.000 0.502 174 G N 3.233 111.824 108.800 -0.349 0.000 2.148 174 G HA2 -0.313 3.647 3.960 0.000 0.000 0.254 174 G HA3 -0.313 3.647 3.960 0.000 0.000 0.254 174 G C 0.602 175.360 174.900 -0.236 0.000 0.981 174 G CA 0.314 45.223 45.100 -0.319 0.000 0.670 174 G HN 0.467 nan 8.290 nan 0.000 0.528 175 F N 1.283 121.266 119.950 0.055 0.000 2.678 175 F HA 0.458 4.985 4.527 0.000 0.000 0.305 175 F C 1.900 177.487 175.800 -0.356 0.000 1.090 175 F CA -0.560 57.428 58.000 -0.020 0.000 1.272 175 F CB -0.047 39.042 39.000 0.148 0.000 1.060 175 F HN 0.318 nan 8.300 nan 0.000 0.576 176 G N 0.808 109.269 108.800 -0.565 0.000 2.525 176 G HA2 0.433 4.394 3.960 0.000 0.000 0.287 176 G HA3 0.433 4.394 3.960 0.000 0.000 0.287 176 G C -1.997 172.619 174.900 -0.473 0.000 1.350 176 G CA -0.821 43.569 45.100 -1.184 0.000 1.039 176 G HN -0.062 nan 8.290 nan 0.000 0.513 177 P HA 0.365 nan 4.420 nan 0.000 0.274 177 P C -1.274 175.730 177.300 -0.492 0.000 1.237 177 P CA -0.173 62.682 63.100 -0.408 0.000 0.793 177 P CB 0.793 32.398 31.700 -0.160 0.000 0.977 178 F N -0.154 119.796 119.950 0.001 0.000 2.440 178 F HA 0.494 5.021 4.527 0.000 0.000 0.328 178 F C 1.067 176.852 175.800 -0.026 0.000 1.070 178 F CA -0.924 57.074 58.000 -0.004 0.000 1.011 178 F CB 0.570 39.567 39.000 -0.006 0.000 1.226 178 F HN 0.348 nan 8.300 nan 0.000 0.491 179 A N 3.398 126.325 122.820 0.178 0.000 2.584 179 A HA 0.242 4.562 4.320 0.000 0.000 0.239 179 A C -2.147 175.458 177.584 0.035 0.000 1.043 179 A CA -0.743 51.337 52.037 0.073 0.000 0.756 179 A CB -1.097 17.936 19.000 0.055 0.000 0.963 179 A HN 0.441 nan 8.150 nan 0.000 0.511 180 P HA 0.276 nan 4.420 nan 0.000 0.276 180 P C -0.381 176.892 177.300 -0.044 0.000 1.252 180 P CA -0.093 62.991 63.100 -0.027 0.000 0.802 180 P CB 0.514 32.206 31.700 -0.013 0.000 1.035 181 E N -1.287 118.856 120.200 -0.094 0.000 2.513 181 E HA -0.128 4.223 4.350 0.000 0.000 0.257 181 E C -0.333 176.246 176.600 -0.034 0.000 1.098 181 E CA 0.811 57.197 56.400 -0.024 0.000 0.752 181 E CB -1.688 28.074 29.700 0.103 0.000 1.324 181 E HN 0.364 nan 8.360 nan 0.000 0.403 182 I N 0.831 121.260 120.570 -0.234 0.000 2.354 182 I HA 0.354 4.524 4.170 0.000 0.000 0.292 182 I C 0.472 176.371 176.117 -0.363 0.000 0.989 182 I CA -0.601 60.604 61.300 -0.158 0.000 1.188 182 I CB 0.622 38.551 38.000 -0.119 0.000 1.342 182 I HN -0.089 nan 8.210 nan 0.000 0.457 183 Y N 4.210 124.460 120.300 -0.084 0.000 2.570 183 Y HA 0.629 5.180 4.550 0.000 0.000 0.345 183 Y C 0.246 176.057 175.900 -0.148 0.000 1.014 183 Y CA -1.044 56.996 58.100 -0.100 0.000 1.063 183 Y CB 1.906 40.307 38.460 -0.098 0.000 1.272 183 Y HN 0.423 nan 8.280 nan 0.000 0.477 184 R N 1.419 121.925 120.500 0.010 0.000 2.445 184 R HA 0.839 5.179 4.340 0.000 0.000 0.308 184 R C -1.518 174.693 176.300 -0.148 0.000 0.961 184 R CA -0.461 55.584 56.100 -0.093 0.000 0.862 184 R CB 1.027 31.289 30.300 -0.063 0.000 1.144 184 R HN 0.774 nan 8.270 nan 0.000 0.447 185 A N 5.769 128.396 122.820 -0.321 0.000 2.374 185 A HA 0.754 5.074 4.320 0.000 0.000 0.317 185 A C -2.549 175.005 177.584 -0.051 0.000 1.094 185 A CA -1.985 49.868 52.037 -0.306 0.000 0.765 185 A CB 1.176 19.793 19.000 -0.638 0.000 1.268 185 A HN 0.681 nan 8.150 nan 0.000 0.438 186 P HA 0.349 nan 4.420 nan 0.000 0.271 186 P C -0.861 176.729 177.300 0.484 0.000 1.218 186 P CA -0.103 63.140 63.100 0.238 0.000 0.780 186 P CB 0.920 32.709 31.700 0.147 0.000 0.901 187 L N 1.663 123.121 121.223 0.392 0.000 2.334 187 L HA 0.469 4.809 4.340 0.000 0.000 0.273 187 L C 0.198 177.017 176.870 -0.085 0.000 1.013 187 L CA -0.576 54.426 54.840 0.271 0.000 0.816 187 L CB 1.901 44.161 42.059 0.335 0.000 1.278 187 L HN 0.303 nan 8.230 nan 0.000 0.431 188 S N 3.247 118.502 115.700 -0.742 0.000 2.465 188 S HA 0.238 4.708 4.470 0.000 0.000 0.280 188 S C -1.002 173.497 174.600 -0.169 0.000 1.232 188 S CA -0.023 57.827 58.200 -0.583 0.000 1.066 188 S CB -0.253 62.312 63.200 -1.059 0.000 0.929 188 S HN 0.516 nan 8.310 nan 0.000 0.494 189 Y N 7.862 128.084 120.300 -0.129 0.000 2.563 189 Y HA 0.408 4.958 4.550 0.000 0.000 0.351 189 Y C -2.640 173.271 175.900 0.018 0.000 1.087 189 Y CA -2.594 55.477 58.100 -0.048 0.000 1.272 189 Y CB 0.921 39.360 38.460 -0.035 0.000 1.095 189 Y HN 0.437 nan 8.280 nan 0.000 0.620 190 P HA -0.250 nan 4.420 nan 0.000 0.215 190 P C 1.733 179.124 177.300 0.152 0.000 1.163 190 P CA 1.738 64.935 63.100 0.162 0.000 0.894 190 P CB -0.027 31.761 31.700 0.147 0.000 0.791 191 F N 0.578 120.568 119.950 0.066 0.000 2.120 191 F HA -0.219 4.308 4.527 0.000 0.000 0.300 191 F C 2.032 177.713 175.800 -0.198 0.000 1.095 191 F CA 1.717 59.696 58.000 -0.035 0.000 1.249 191 F CB -0.383 38.651 39.000 0.056 0.000 0.995 191 F HN -0.205 nan 8.300 nan 0.000 0.480 192 R N -0.490 119.678 120.500 -0.554 0.000 2.223 192 R HA -0.020 4.320 4.340 0.000 0.000 0.198 192 R C 1.536 177.680 176.300 -0.259 0.000 0.984 192 R CA 0.848 56.579 56.100 -0.614 0.000 1.018 192 R CB -0.292 29.527 30.300 -0.802 0.000 0.945 192 R HN 0.246 nan 8.270 nan 0.000 0.479 193 D N 1.300 121.631 120.400 -0.115 0.000 2.269 193 D HA -0.051 4.589 4.640 0.000 0.000 0.208 193 D C 1.728 178.056 176.300 0.047 0.000 0.963 193 D CA 0.902 54.948 54.000 0.077 0.000 0.864 193 D CB -0.018 40.828 40.800 0.076 0.000 0.936 193 D HN 0.168 nan 8.370 nan 0.000 0.505 194 A N 1.151 123.924 122.820 -0.078 0.000 1.978 194 A HA -0.213 4.107 4.320 0.000 0.000 0.220 194 A C 2.295 179.769 177.584 -0.183 0.000 1.170 194 A CA 2.376 54.354 52.037 -0.098 0.000 0.636 194 A CB -0.928 18.005 19.000 -0.112 0.000 0.810 194 A HN 0.319 nan 8.150 nan 0.000 0.448 195 E N -1.025 118.964 120.200 -0.352 0.000 2.171 195 E HA -0.189 4.161 4.350 0.000 0.000 0.197 195 E C 1.292 177.504 176.600 -0.648 0.000 0.997 195 E CA 1.589 57.634 56.400 -0.591 0.000 0.810 195 E CB -0.955 28.198 29.700 -0.913 0.000 0.738 195 E HN 0.782 nan 8.360 nan 0.000 0.467 196 F N -0.507 119.397 119.950 -0.076 0.000 2.639 196 F HA 0.530 5.057 4.527 0.000 0.000 0.300 196 F C 1.054 176.835 175.800 -0.032 0.000 1.109 196 F CA 0.386 58.358 58.000 -0.047 0.000 1.335 196 F CB 1.105 40.083 39.000 -0.038 0.000 1.014 196 F HN 0.348 nan 8.300 nan 0.000 0.537 197 G N -0.075 108.761 108.800 0.060 0.000 2.693 197 G HA2 0.267 4.227 3.960 0.000 0.000 0.290 197 G HA3 0.267 4.227 3.960 0.000 0.000 0.290 197 G C 0.387 175.303 174.900 0.026 0.000 1.378 197 G CA -0.415 44.713 45.100 0.045 0.000 1.120 197 G HN 0.191 nan 8.290 nan 0.000 0.609 198 K N 0.091 120.494 120.400 0.006 0.000 2.113 198 K HA 0.100 4.420 4.320 0.000 0.000 0.208 198 K C 2.467 179.081 176.600 0.025 0.000 1.047 198 K CA 2.994 59.285 56.287 0.008 0.000 0.928 198 K CB -1.240 31.262 32.500 0.004 0.000 0.716 198 K HN 1.803 nan 8.250 nan 0.000 0.446 199 E N 0.088 120.305 120.200 0.029 0.000 2.051 199 E HA 0.124 4.475 4.350 0.000 0.000 0.192 199 E C 2.643 179.269 176.600 0.044 0.000 0.991 199 E CA 2.196 58.617 56.400 0.036 0.000 0.799 199 E CB -1.420 28.300 29.700 0.034 0.000 0.748 199 E HN 1.091 nan 8.360 nan 0.000 0.449 200 L N 0.357 121.610 121.223 0.051 0.000 2.191 200 L HA 0.501 4.841 4.340 0.000 0.000 0.212 200 L C 2.967 179.870 176.870 0.056 0.000 1.103 200 L CA 2.430 57.306 54.840 0.059 0.000 0.769 200 L CB -1.604 40.499 42.059 0.073 0.000 0.908 200 L HN 0.721 nan 8.230 nan 0.000 0.438 201 A N -0.343 122.507 122.820 0.050 0.000 2.067 201 A HA -0.024 4.296 4.320 0.000 0.000 0.219 201 A C 2.397 180.012 177.584 0.052 0.000 1.158 201 A CA 2.205 54.271 52.037 0.048 0.000 0.661 201 A CB -0.671 18.351 19.000 0.038 0.000 0.801 201 A HN 0.965 nan 8.150 nan 0.000 0.452 202 T N -4.640 109.944 114.554 0.050 0.000 2.975 202 T HA 0.132 4.482 4.350 0.000 0.000 0.257 202 T C 0.189 174.924 174.700 0.058 0.000 1.003 202 T CA 0.344 62.476 62.100 0.054 0.000 0.932 202 T CB 0.022 68.919 68.868 0.049 0.000 1.087 202 T HN 0.151 nan 8.240 nan 0.000 0.512 203 D N 1.864 122.300 120.400 0.060 0.000 2.494 203 D HA 0.386 5.026 4.640 0.000 0.000 0.217 203 D C 1.480 177.836 176.300 0.093 0.000 1.153 203 D CA -0.192 53.849 54.000 0.069 0.000 0.954 203 D CB 0.633 41.471 40.800 0.062 0.000 1.034 203 D HN 0.321 nan 8.370 nan 0.000 0.518 204 G N 2.810 111.678 108.800 0.114 0.000 2.422 204 G HA2 -0.258 3.702 3.960 0.000 0.000 0.218 204 G HA3 -0.258 3.702 3.960 0.000 0.000 0.218 204 G C 1.218 176.264 174.900 0.242 0.000 1.140 204 G CA 0.464 45.678 45.100 0.188 0.000 0.775 204 G HN 0.550 nan 8.290 nan 0.000 0.545 205 E N -0.314 119.978 120.200 0.154 0.000 2.085 205 E HA -0.144 4.207 4.350 0.000 0.000 0.194 205 E C 2.347 179.023 176.600 0.127 0.000 0.994 205 E CA 0.852 57.326 56.400 0.124 0.000 0.801 205 E CB -0.197 29.551 29.700 0.080 0.000 0.743 205 E HN 0.313 nan 8.360 nan 0.000 0.453 206 L N 0.636 121.928 121.223 0.114 0.000 2.046 206 L HA -0.096 4.244 4.340 0.000 0.000 0.208 206 L C 2.269 179.217 176.870 0.131 0.000 1.077 206 L CA 2.036 56.936 54.840 0.099 0.000 0.747 206 L CB -0.597 41.507 42.059 0.076 0.000 0.896 206 L HN 0.214 nan 8.230 nan 0.000 0.432 207 A N -0.795 122.133 122.820 0.180 0.000 1.933 207 A HA -0.104 4.216 4.320 0.000 0.000 0.218 207 A C 2.431 180.265 177.584 0.417 0.000 1.175 207 A CA 1.641 53.818 52.037 0.234 0.000 0.628 207 A CB -1.026 18.046 19.000 0.121 0.000 0.814 207 A HN 0.523 nan 8.150 nan 0.000 0.444 208 A N -0.140 122.955 122.820 0.457 0.000 1.898 208 A HA -0.140 4.180 4.320 0.000 0.000 0.216 208 A C 2.093 179.724 177.584 0.078 0.000 1.181 208 A CA 1.726 53.879 52.037 0.192 0.000 0.620 208 A CB -0.401 18.591 19.000 -0.013 0.000 0.819 208 A HN 0.534 nan 8.150 nan 0.000 0.442 209 K N -0.580 119.867 120.400 0.077 0.000 2.147 209 K HA -0.103 4.217 4.320 0.000 0.000 0.205 209 K C 2.267 178.873 176.600 0.011 0.000 1.049 209 K CA 1.275 57.575 56.287 0.022 0.000 0.936 209 K CB -0.163 32.359 32.500 0.037 0.000 0.722 209 K HN 0.400 nan 8.250 nan 0.000 0.446 210 R N 0.336 120.871 120.500 0.058 0.000 2.075 210 R HA -0.076 4.264 4.340 0.000 0.000 0.232 210 R C 2.400 178.719 176.300 0.032 0.000 1.126 210 R CA 1.218 57.344 56.100 0.042 0.000 0.963 210 R CB -0.323 30.013 30.300 0.060 0.000 0.858 210 R HN 0.169 nan 8.270 nan 0.000 0.435 211 A N 1.323 124.200 122.820 0.095 0.000 1.902 211 A HA -0.143 4.178 4.320 0.000 0.000 0.217 211 A C 2.149 179.658 177.584 -0.124 0.000 1.181 211 A CA 1.212 53.294 52.037 0.074 0.000 0.623 211 A CB -0.483 18.699 19.000 0.303 0.000 0.818 211 A HN 0.176 nan 8.150 nan 0.000 0.443 212 I N -0.310 120.127 120.570 -0.222 0.000 2.264 212 I HA -0.238 3.932 4.170 0.000 0.000 0.248 212 I C 2.540 178.452 176.117 -0.341 0.000 1.111 212 I CA 1.732 62.734 61.300 -0.497 0.000 1.382 212 I CB -0.502 37.159 38.000 -0.564 0.000 1.060 212 I HN 0.263 nan 8.210 nan 0.000 0.418 213 T N 0.250 114.701 114.554 -0.171 0.000 2.746 213 T HA -0.129 4.221 4.350 0.000 0.000 0.267 213 T C 2.031 176.669 174.700 -0.104 0.000 1.039 213 T CA 1.245 63.283 62.100 -0.102 0.000 1.142 213 T CB -0.289 68.548 68.868 -0.051 0.000 0.866 213 T HN 0.102 nan 8.240 nan 0.000 0.444 214 V N 1.382 121.231 119.914 -0.108 0.000 2.287 214 V HA -0.164 3.956 4.120 0.000 0.000 0.248 214 V C 2.383 178.386 176.094 -0.151 0.000 1.053 214 V CA 1.589 63.827 62.300 -0.104 0.000 1.027 214 V CB -0.583 31.188 31.823 -0.086 0.000 0.646 214 V HN 0.476 nan 8.190 nan 0.000 0.447 215 I N 0.265 120.699 120.570 -0.226 0.000 2.179 215 I HA -0.249 3.922 4.170 0.000 0.000 0.242 215 I C 2.377 178.386 176.117 -0.179 0.000 1.088 215 I CA 2.110 63.251 61.300 -0.266 0.000 1.357 215 I CB -0.458 37.282 38.000 -0.435 0.000 1.051 215 I HN 0.410 nan 8.210 nan 0.000 0.409 216 D N 1.013 121.321 120.400 -0.153 0.000 2.084 216 D HA -0.205 4.435 4.640 0.000 0.000 0.194 216 D C 2.156 178.443 176.300 -0.022 0.000 0.990 216 D CA 1.565 55.564 54.000 -0.002 0.000 0.826 216 D CB 0.121 40.943 40.800 0.037 0.000 0.971 216 D HN -0.018 nan 8.370 nan 0.000 0.453 217 K N -0.249 120.121 120.400 -0.050 0.000 2.116 217 K HA 0.015 4.335 4.320 0.000 0.000 0.203 217 K C 2.180 178.744 176.600 -0.060 0.000 1.052 217 K CA 0.874 57.138 56.287 -0.040 0.000 0.952 217 K CB -0.115 32.365 32.500 -0.033 0.000 0.729 217 K HN 0.423 nan 8.250 nan 0.000 0.446 218 Q N -0.629 119.112 119.800 -0.098 0.000 2.384 218 Q HA 0.233 4.573 4.340 0.000 0.000 0.207 218 Q C 1.541 177.385 176.000 -0.260 0.000 0.904 218 Q CA 0.275 56.006 55.803 -0.120 0.000 0.933 218 Q CB 0.678 29.366 28.738 -0.084 0.000 1.077 218 Q HN 0.230 nan 8.270 nan 0.000 0.522 219 I N -1.971 118.426 120.570 -0.289 0.000 3.878 219 I HA 0.280 4.450 4.170 0.000 0.000 0.273 219 I C 0.534 176.549 176.117 -0.170 0.000 1.165 219 I CA 0.234 61.298 61.300 -0.394 0.000 1.360 219 I CB 0.889 38.587 38.000 -0.503 0.000 1.539 219 I HN 0.053 nan 8.210 nan 0.000 0.447 220 G N 1.613 110.371 108.800 -0.070 0.000 3.172 220 G HA2 -0.022 3.938 3.960 0.000 0.000 0.686 220 G HA3 -0.022 3.938 3.960 0.000 0.000 0.686 220 G C 0.556 175.499 174.900 0.071 0.000 1.009 220 G CA -0.182 44.931 45.100 0.021 0.000 0.787 220 G HN 0.490 nan 8.290 nan 0.000 0.559 221 A N 1.639 124.554 122.820 0.157 0.000 1.948 221 A HA -0.055 4.265 4.320 0.000 0.000 0.220 221 A C 2.016 179.611 177.584 0.018 0.000 1.177 221 A CA 2.475 54.579 52.037 0.111 0.000 0.636 221 A CB -0.243 18.733 19.000 -0.040 0.000 0.815 221 A HN 0.762 nan 8.150 nan 0.000 0.449 222 D N -0.022 120.379 120.400 0.002 0.000 2.350 222 D HA -0.054 4.586 4.640 0.000 0.000 0.216 222 D C 0.796 177.087 176.300 -0.015 0.000 0.968 222 D CA 0.637 54.629 54.000 -0.013 0.000 0.894 222 D CB -0.177 40.616 40.800 -0.012 0.000 0.909 222 D HN 0.494 nan 8.370 nan 0.000 0.520 223 N N 0.035 118.727 118.700 -0.014 0.000 2.205 223 N HA 0.041 4.781 4.740 0.000 0.000 0.201 223 N C -0.096 175.405 175.510 -0.016 0.000 1.128 223 N CA -0.186 52.849 53.050 -0.025 0.000 0.867 223 N CB 1.353 39.818 38.487 -0.038 0.000 0.996 223 N HN 0.116 nan 8.380 nan 0.000 0.503 224 L N 0.979 122.206 121.223 0.007 0.000 2.280 224 L HA 0.538 4.878 4.340 0.000 0.000 0.287 224 L C 0.970 177.866 176.870 0.044 0.000 1.023 224 L CA -0.370 54.490 54.840 0.033 0.000 0.819 224 L CB 1.296 43.407 42.059 0.086 0.000 1.212 224 L HN -0.050 nan 8.230 nan 0.000 0.420 225 A N 4.431 127.276 122.820 0.041 0.000 1.898 225 A HA 0.677 4.997 4.320 0.000 0.000 0.214 225 A C 0.819 178.443 177.584 0.066 0.000 1.183 225 A CA 1.029 53.095 52.037 0.048 0.000 0.622 225 A CB -0.228 18.795 19.000 0.038 0.000 0.824 225 A HN 0.990 nan 8.150 nan 0.000 0.444 226 A N -1.803 121.054 122.820 0.061 0.000 2.589 226 A HA 0.564 4.884 4.320 0.000 0.000 0.296 226 A C -1.311 176.300 177.584 0.045 0.000 1.062 226 A CA -0.352 51.717 52.037 0.053 0.000 0.686 226 A CB 0.980 19.987 19.000 0.011 0.000 1.282 226 A HN 0.446 nan 8.150 nan 0.000 0.404 227 V N 1.457 121.400 119.914 0.047 0.000 2.398 227 V HA 0.607 4.727 4.120 0.000 0.000 0.286 227 V C -0.339 175.683 176.094 -0.120 0.000 1.026 227 V CA -0.549 61.765 62.300 0.023 0.000 0.868 227 V CB 1.419 33.322 31.823 0.134 0.000 0.982 227 V HN 0.953 nan 8.190 nan 0.000 0.443 228 V N 7.570 127.437 119.914 -0.079 0.000 2.448 228 V HA 0.726 4.847 4.120 0.000 0.000 0.295 228 V C -0.778 175.325 176.094 0.015 0.000 1.025 228 V CA -0.368 61.836 62.300 -0.160 0.000 0.859 228 V CB 1.488 33.147 31.823 -0.275 0.000 0.988 228 V HN 0.799 nan 8.190 nan 0.000 0.431 229 I N 4.442 124.970 120.570 -0.070 0.000 2.752 229 I HA 0.514 4.684 4.170 0.000 0.000 0.295 229 I C -0.508 175.635 176.117 0.043 0.000 1.219 229 I CA -0.533 60.787 61.300 0.034 0.000 1.030 229 I CB 2.439 40.319 38.000 -0.200 0.000 1.259 229 I HN 0.669 nan 8.210 nan 0.000 0.423 230 E N 7.651 127.912 120.200 0.102 0.000 2.289 230 E HA 0.195 4.545 4.350 0.000 0.000 0.278 230 E C -1.931 174.696 176.600 0.044 0.000 1.032 230 E CA -1.382 55.056 56.400 0.063 0.000 0.854 230 E CB 0.839 30.556 29.700 0.028 0.000 1.046 230 E HN 0.390 nan 8.360 nan 0.000 0.409 231 P HA -0.083 nan 4.420 nan 0.000 0.218 231 P C -0.193 177.128 177.300 0.035 0.000 1.149 231 P CA 1.218 64.362 63.100 0.073 0.000 0.817 231 P CB 0.356 32.108 31.700 0.086 0.000 0.785 232 I N -1.154 119.409 120.570 -0.013 0.000 2.478 232 I HA 0.212 4.382 4.170 0.000 0.000 0.287 232 I C -0.385 175.698 176.117 -0.058 0.000 1.042 232 I CA -1.186 60.079 61.300 -0.059 0.000 1.067 232 I CB 1.975 39.893 38.000 -0.137 0.000 1.233 232 I HN -0.357 nan 8.210 nan 0.000 0.431 233 Q N 3.392 123.170 119.800 -0.038 0.000 2.289 233 Q HA 0.229 4.570 4.340 0.000 0.000 0.273 233 Q C 0.857 176.881 176.000 0.040 0.000 1.029 233 Q CA 0.413 56.211 55.803 -0.008 0.000 0.896 233 Q CB 1.314 30.047 28.738 -0.008 0.000 1.182 233 Q HN 0.812 nan 8.270 nan 0.000 0.385 234 G N 2.051 110.888 108.800 0.060 0.000 2.670 234 G HA2 -0.121 3.839 3.960 0.000 0.000 0.219 234 G HA3 -0.121 3.839 3.960 0.000 0.000 0.219 234 G C 0.626 175.650 174.900 0.207 0.000 1.342 234 G CA -0.114 45.090 45.100 0.173 0.000 0.902 234 G HN 0.573 nan 8.290 nan 0.000 0.553 235 E N 1.088 121.306 120.200 0.030 0.000 2.209 235 E HA -0.083 4.267 4.350 0.000 0.000 0.196 235 E C 2.505 179.107 176.600 0.004 0.000 0.993 235 E CA 0.979 57.331 56.400 -0.080 0.000 0.819 235 E CB -0.764 28.682 29.700 -0.422 0.000 0.745 235 E HN 0.376 nan 8.360 nan 0.000 0.477 236 G N -0.058 108.770 108.800 0.048 0.000 2.679 236 G HA2 0.096 4.056 3.960 0.000 0.000 0.212 236 G HA3 0.096 4.056 3.960 0.000 0.000 0.212 236 G C 0.967 175.856 174.900 -0.017 0.000 1.137 236 G CA 0.575 45.711 45.100 0.059 0.000 0.787 236 G HN 0.424 nan 8.290 nan 0.000 0.534 237 G N -1.119 107.678 108.800 -0.004 0.000 2.161 237 G HA2 -0.024 3.936 3.960 0.000 0.000 0.140 237 G HA3 -0.024 3.936 3.960 0.000 0.000 0.140 237 G C 0.289 175.216 174.900 0.046 0.000 1.040 237 G CA -0.297 44.770 45.100 -0.054 0.000 0.735 237 G HN 0.534 nan 8.290 nan 0.000 0.496 238 F N -0.983 118.897 119.950 -0.117 0.000 2.969 238 F HA -0.169 4.358 4.527 0.000 0.000 0.273 238 F C 0.935 176.658 175.800 -0.129 0.000 0.986 238 F CA 0.304 58.246 58.000 -0.095 0.000 0.926 238 F CB -1.922 37.042 39.000 -0.058 0.000 0.887 238 F HN 0.385 nan 8.300 nan 0.000 0.816 239 I N 0.571 121.114 120.570 -0.044 0.000 2.352 239 I HA 0.251 4.422 4.170 0.000 0.000 0.290 239 I C 0.354 176.414 176.117 -0.095 0.000 1.036 239 I CA -0.674 60.518 61.300 -0.179 0.000 1.336 239 I CB 0.940 38.681 38.000 -0.432 0.000 1.407 239 I HN -0.166 nan 8.210 nan 0.000 0.497 240 V N 9.068 128.953 119.914 -0.049 0.000 2.383 240 V HA 0.277 4.397 4.120 0.000 0.000 0.275 240 V C -1.768 174.320 176.094 -0.011 0.000 1.036 240 V CA -1.602 60.684 62.300 -0.023 0.000 0.889 240 V CB 0.936 32.752 31.823 -0.012 0.000 0.985 240 V HN 0.613 nan 8.190 nan 0.000 0.459 241 P HA 0.200 nan 4.420 nan 0.000 0.272 241 P C -0.228 177.086 177.300 0.023 0.000 1.223 241 P CA -0.153 62.918 63.100 -0.049 0.000 0.784 241 P CB 0.807 32.535 31.700 0.047 0.000 0.923 242 A N 2.366 125.183 122.820 -0.005 0.000 2.531 242 A HA 0.042 4.363 4.320 0.000 0.000 0.236 242 A C 0.245 177.899 177.584 0.116 0.000 1.062 242 A CA -0.018 52.053 52.037 0.058 0.000 0.760 242 A CB -0.634 18.393 19.000 0.045 0.000 0.995 242 A HN 0.499 nan 8.150 nan 0.000 0.501 243 D N 0.637 121.102 120.400 0.108 0.000 2.525 243 D HA 0.365 5.005 4.640 0.000 0.000 0.235 243 D C 1.359 177.729 176.300 0.117 0.000 1.137 243 D CA 2.058 56.123 54.000 0.108 0.000 0.868 243 D CB 0.641 41.486 40.800 0.075 0.000 1.180 243 D HN 1.095 nan 8.370 nan 0.000 0.465 244 G N 1.633 110.502 108.800 0.116 0.000 2.232 244 G HA2 -0.353 3.607 3.960 0.000 0.000 0.226 244 G HA3 -0.353 3.607 3.960 0.000 0.000 0.226 244 G C 0.878 175.870 174.900 0.154 0.000 0.996 244 G CA 0.226 45.390 45.100 0.106 0.000 0.626 244 G HN 0.471 nan 8.290 nan 0.000 0.509 245 F N 1.581 121.552 119.950 0.035 0.000 2.060 245 F HA 0.241 4.769 4.527 0.000 0.000 0.295 245 F C 2.598 178.422 175.800 0.040 0.000 1.120 245 F CA 2.278 60.300 58.000 0.036 0.000 1.205 245 F CB -0.495 38.522 39.000 0.027 0.000 0.986 245 F HN 0.162 nan 8.300 nan 0.000 0.470 246 L N 0.141 121.400 121.223 0.060 0.000 2.046 246 L HA -0.148 4.193 4.340 0.000 0.000 0.208 246 L C -0.452 176.353 176.870 -0.108 0.000 1.077 246 L CA 1.259 56.077 54.840 -0.038 0.000 0.747 246 L CB -2.240 39.882 42.059 0.104 0.000 0.896 246 L HN 0.130 nan 8.230 nan 0.000 0.432 247 P HA -0.139 nan 4.420 nan 0.000 0.215 247 P C 1.617 178.866 177.300 -0.084 0.000 1.153 247 P CA 1.487 64.531 63.100 -0.093 0.000 0.853 247 P CB -0.072 31.604 31.700 -0.040 0.000 0.788 248 T N -0.496 114.028 114.554 -0.049 0.000 2.777 248 T HA -0.061 4.289 4.350 0.000 0.000 0.266 248 T C 1.758 176.458 174.700 -0.001 0.000 1.040 248 T CA 0.966 63.057 62.100 -0.014 0.000 1.141 248 T CB -0.877 67.996 68.868 0.009 0.000 0.868 248 T HN 0.045 nan 8.240 nan 0.000 0.444 249 L N 0.406 121.583 121.223 -0.078 0.000 2.012 249 L HA -0.085 4.255 4.340 0.000 0.000 0.210 249 L C 2.471 179.424 176.870 0.138 0.000 1.073 249 L CA 0.944 55.807 54.840 0.038 0.000 0.748 249 L CB -0.598 41.466 42.059 0.008 0.000 0.891 249 L HN 0.226 nan 8.230 nan 0.000 0.431 250 L N 0.338 121.465 121.223 -0.159 0.000 2.046 250 L HA -0.244 4.096 4.340 0.000 0.000 0.208 250 L C 2.040 178.846 176.870 -0.108 0.000 1.077 250 L CA 2.121 56.727 54.840 -0.390 0.000 0.747 250 L CB -0.625 40.993 42.059 -0.736 0.000 0.896 250 L HN 0.244 nan 8.230 nan 0.000 0.432 251 D N -1.621 118.745 120.400 -0.056 0.000 2.123 251 D HA -0.324 4.316 4.640 0.000 0.000 0.196 251 D C 1.938 178.277 176.300 0.064 0.000 0.992 251 D CA 1.727 55.724 54.000 -0.006 0.000 0.833 251 D CB -0.411 40.394 40.800 0.008 0.000 0.954 251 D HN 0.523 nan 8.370 nan 0.000 0.455 252 W N 0.387 121.670 121.300 -0.029 0.000 2.355 252 W HA -0.211 4.449 4.660 0.000 0.000 0.309 252 W C 2.385 178.915 176.519 0.018 0.000 1.206 252 W CA 1.500 58.845 57.345 0.001 0.000 1.284 252 W CB -0.572 28.896 29.460 0.013 0.000 1.145 252 W HN 0.087 nan 8.180 nan 0.000 0.502 253 C N 0.688 120.143 119.300 0.257 0.000 2.413 253 C HA -0.180 4.280 4.460 0.000 0.000 0.276 253 C C 2.737 177.669 174.990 -0.097 0.000 1.248 253 C CA 1.040 60.114 59.018 0.093 0.000 1.742 253 C CB -1.330 26.599 27.740 0.314 0.000 2.017 253 C HN 0.303 nan 8.230 nan 0.000 0.481 254 R N 1.044 121.505 120.500 -0.065 0.000 2.092 254 R HA -0.072 4.268 4.340 0.000 0.000 0.231 254 R C 1.987 178.207 176.300 -0.133 0.000 1.119 254 R CA 1.132 57.183 56.100 -0.081 0.000 0.970 254 R CB -0.415 29.844 30.300 -0.067 0.000 0.864 254 R HN 0.605 nan 8.270 nan 0.000 0.440 255 K N 0.031 120.315 120.400 -0.195 0.000 2.366 255 K HA 0.035 4.355 4.320 0.000 0.000 0.198 255 K C 1.027 177.437 176.600 -0.316 0.000 1.044 255 K CA 0.614 56.768 56.287 -0.222 0.000 0.973 255 K CB 0.204 32.578 32.500 -0.210 0.000 0.767 255 K HN 0.128 nan 8.250 nan 0.000 0.475 256 N N 0.842 119.262 118.700 -0.468 0.000 2.238 256 N HA -0.039 4.701 4.740 0.000 0.000 0.235 256 N C -0.896 174.418 175.510 -0.328 0.000 1.209 256 N CA 0.186 52.917 53.050 -0.532 0.000 0.879 256 N CB 0.980 38.789 38.487 -1.130 0.000 1.136 256 N HN 0.016 nan 8.380 nan 0.000 0.517 257 D N 0.778 121.058 120.400 -0.200 0.000 2.723 257 D HA -0.148 4.493 4.640 0.000 0.000 0.236 257 D C -1.113 175.157 176.300 -0.051 0.000 1.138 257 D CA 0.491 54.437 54.000 -0.089 0.000 0.676 257 D CB -1.118 39.637 40.800 -0.074 0.000 1.069 257 D HN -0.039 nan 8.370 nan 0.000 0.430 258 V N 0.416 120.299 119.914 -0.050 0.000 2.555 258 V HA 0.446 4.566 4.120 0.000 0.000 0.302 258 V C 0.708 176.866 176.094 0.108 0.000 1.038 258 V CA -1.014 61.311 62.300 0.042 0.000 0.887 258 V CB 2.187 34.061 31.823 0.085 0.000 0.991 258 V HN 0.017 nan 8.190 nan 0.000 0.434 259 V N 5.117 125.103 119.914 0.121 0.000 2.470 259 V HA 0.160 4.280 4.120 0.000 0.000 0.276 259 V C -0.183 176.009 176.094 0.162 0.000 1.040 259 V CA 0.032 62.407 62.300 0.125 0.000 1.008 259 V CB 0.508 32.384 31.823 0.089 0.000 0.990 259 V HN 0.682 nan 8.190 nan 0.000 0.477 260 F N 6.998 126.973 119.950 0.042 0.000 2.390 260 F HA 0.556 5.083 4.527 0.000 0.000 0.361 260 F C 0.080 175.895 175.800 0.024 0.000 1.124 260 F CA -0.541 57.489 58.000 0.050 0.000 1.149 260 F CB 0.470 39.495 39.000 0.042 0.000 1.160 260 F HN 0.341 nan 8.300 nan 0.000 0.501 261 I N 6.714 127.110 120.570 -0.290 0.000 2.330 261 I HA 0.382 4.552 4.170 0.000 0.000 0.289 261 I C -0.100 175.828 176.117 -0.315 0.000 1.001 261 I CA -0.807 60.380 61.300 -0.189 0.000 1.193 261 I CB 1.331 39.247 38.000 -0.140 0.000 1.345 261 I HN 0.703 nan 8.210 nan 0.000 0.461 262 A N 4.790 127.545 122.820 -0.107 0.000 2.302 262 A HA 0.226 4.546 4.320 0.000 0.000 0.295 262 A C -0.239 177.344 177.584 -0.002 0.000 1.235 262 A CA -0.365 51.652 52.037 -0.033 0.000 0.876 262 A CB 0.182 19.256 19.000 0.122 0.000 1.133 262 A HN 0.678 nan 8.150 nan 0.000 0.533 263 D N 2.745 123.162 120.400 0.027 0.000 2.441 263 D HA 0.130 4.770 4.640 0.000 0.000 0.221 263 D C 0.218 176.575 176.300 0.094 0.000 1.156 263 D CA 0.091 54.142 54.000 0.085 0.000 0.896 263 D CB 0.432 41.347 40.800 0.193 0.000 1.028 263 D HN 0.576 nan 8.370 nan 0.000 0.509 264 E N 2.812 123.072 120.200 0.099 0.000 2.423 264 E HA 0.048 4.399 4.350 0.000 0.000 0.198 264 E C 1.584 178.284 176.600 0.167 0.000 1.038 264 E CA -0.162 56.321 56.400 0.137 0.000 1.011 264 E CB 0.961 30.776 29.700 0.191 0.000 1.118 264 E HN 0.328 nan 8.360 nan 0.000 0.451 265 V N 0.967 120.965 119.914 0.140 0.000 2.282 265 V HA -0.333 3.787 4.120 0.000 0.000 0.249 265 V C 2.429 178.600 176.094 0.128 0.000 1.057 265 V CA 2.267 64.653 62.300 0.143 0.000 1.032 265 V CB -0.257 31.640 31.823 0.123 0.000 0.645 265 V HN 0.354 nan 8.190 nan 0.000 0.447 266 Q N -0.561 119.293 119.800 0.090 0.000 2.259 266 Q HA -0.109 4.231 4.340 0.000 0.000 0.201 266 Q C 2.225 178.236 176.000 0.018 0.000 0.938 266 Q CA 1.424 57.257 55.803 0.049 0.000 0.872 266 Q CB 0.084 28.837 28.738 0.025 0.000 0.971 266 Q HN 0.796 nan 8.270 nan 0.000 0.494 267 T N -2.435 112.130 114.554 0.017 0.000 3.055 267 T HA 0.168 4.518 4.350 0.000 0.000 0.265 267 T C 0.956 175.669 174.700 0.021 0.000 1.111 267 T CA 0.246 62.338 62.100 -0.015 0.000 1.118 267 T CB -0.061 68.802 68.868 -0.009 0.000 0.909 267 T HN 0.247 nan 8.240 nan 0.000 0.501 268 G N 0.176 109.045 108.800 0.114 0.000 2.634 268 G HA2 0.425 4.385 3.960 0.000 0.000 0.255 268 G HA3 0.425 4.385 3.960 0.000 0.000 0.255 268 G C -0.488 174.376 174.900 -0.059 0.000 1.205 268 G CA -0.913 44.243 45.100 0.094 0.000 0.884 268 G HN 0.320 nan 8.290 nan 0.000 0.549 269 F N -0.850 118.766 119.950 -0.556 0.000 2.803 269 F HA -0.153 4.374 4.527 0.000 0.000 0.323 269 F C 1.529 177.164 175.800 -0.276 0.000 1.033 269 F CA 1.324 59.072 58.000 -0.420 0.000 1.066 269 F CB -1.554 37.341 39.000 -0.174 0.000 1.283 269 F HN 1.744 nan 8.300 nan 0.000 0.816 270 A N -1.167 121.502 122.820 -0.252 0.000 3.829 270 A HA -0.416 3.905 4.320 0.000 0.000 0.264 270 A C 1.721 179.248 177.584 -0.095 0.000 0.998 270 A CA 1.977 53.929 52.037 -0.142 0.000 1.270 270 A CB -1.378 17.581 19.000 -0.067 0.000 1.063 270 A HN 0.707 nan 8.150 nan 0.000 0.879 271 R N 1.190 121.641 120.500 -0.081 0.000 2.117 271 R HA -0.133 4.207 4.340 0.000 0.000 0.243 271 R C 1.937 178.188 176.300 -0.081 0.000 1.143 271 R CA 3.153 59.215 56.100 -0.062 0.000 0.968 271 R CB -1.028 29.240 30.300 -0.053 0.000 0.863 271 R HN 1.157 nan 8.270 nan 0.000 0.444 272 T N -3.982 110.513 114.554 -0.098 0.000 3.145 272 T HA 0.326 4.676 4.350 0.000 0.000 0.255 272 T C 0.994 175.641 174.700 -0.089 0.000 1.039 272 T CA 0.169 62.206 62.100 -0.105 0.000 0.928 272 T CB 0.277 69.077 68.868 -0.113 0.000 1.029 272 T HN 0.429 nan 8.240 nan 0.000 0.554 273 G N 0.345 109.101 108.800 -0.074 0.000 2.136 273 G HA2 0.151 4.111 3.960 0.000 0.000 0.242 273 G HA3 0.151 4.111 3.960 0.000 0.000 0.242 273 G C 0.128 175.003 174.900 -0.043 0.000 0.989 273 G CA -0.285 44.783 45.100 -0.054 0.000 0.682 273 G HN 1.366 nan 8.290 nan 0.000 0.522 274 A N -1.803 120.979 122.820 -0.062 0.000 2.594 274 A HA 0.848 5.169 4.320 0.000 0.000 0.291 274 A C 0.782 178.278 177.584 -0.146 0.000 1.105 274 A CA 0.430 52.433 52.037 -0.056 0.000 0.694 274 A CB 0.836 19.836 19.000 -0.001 0.000 1.291 274 A HN 0.962 nan 8.150 nan 0.000 0.410 275 M N 0.287 119.778 119.600 -0.181 0.000 2.080 275 M HA 0.166 4.646 4.480 0.000 0.000 0.260 275 M C -0.618 175.168 176.300 -0.857 0.000 1.068 275 M CA 1.988 57.029 55.300 -0.433 0.000 1.109 275 M CB -0.520 31.888 32.600 -0.321 0.000 1.342 275 M HN 0.532 nan 8.290 nan 0.000 0.405 276 F N -1.722 118.157 119.950 -0.119 0.000 2.551 276 F HA 0.555 5.082 4.527 0.000 0.000 0.316 276 F C 0.937 176.708 175.800 -0.048 0.000 1.089 276 F CA -0.672 57.261 58.000 -0.111 0.000 0.915 276 F CB 1.017 39.938 39.000 -0.132 0.000 1.186 276 F HN -0.016 nan 8.300 nan 0.000 0.456 277 A N 0.478 123.380 122.820 0.136 0.000 2.070 277 A HA -0.123 4.197 4.320 0.000 0.000 0.220 277 A C 1.936 179.594 177.584 0.124 0.000 1.159 277 A CA 1.513 53.602 52.037 0.086 0.000 0.656 277 A CB -1.168 17.857 19.000 0.042 0.000 0.800 277 A HN 0.900 nan 8.150 nan 0.000 0.453 278 C N -0.188 119.198 119.300 0.143 0.000 2.410 278 C HA -0.115 4.345 4.460 0.000 0.000 0.281 278 C C 2.450 177.498 174.990 0.096 0.000 1.318 278 C CA 1.173 60.261 59.018 0.116 0.000 1.776 278 C CB -1.335 26.461 27.740 0.093 0.000 1.942 278 C HN 0.678 nan 8.230 nan 0.000 0.508 279 E N -0.481 119.784 120.200 0.109 0.000 2.204 279 E HA -0.244 4.106 4.350 0.000 0.000 0.195 279 E C 1.773 178.424 176.600 0.085 0.000 0.990 279 E CA 1.114 57.563 56.400 0.081 0.000 0.821 279 E CB -0.273 29.475 29.700 0.080 0.000 0.750 279 E HN 0.753 nan 8.360 nan 0.000 0.477 280 H N 1.261 120.344 119.070 0.021 0.000 2.387 280 H HA -0.075 4.481 4.556 0.000 0.000 0.299 280 H C 1.157 176.493 175.328 0.014 0.000 1.099 280 H CA 1.568 57.625 56.048 0.014 0.000 1.315 280 H CB 0.254 30.024 29.762 0.014 0.000 1.380 280 H HN 0.089 nan 8.280 nan 0.000 0.513 281 E N -1.271 118.917 120.200 -0.020 0.000 2.501 281 E HA 0.184 4.535 4.350 0.000 0.000 0.200 281 E C 0.557 177.125 176.600 -0.053 0.000 1.016 281 E CA 0.243 56.596 56.400 -0.077 0.000 0.921 281 E CB 0.779 30.473 29.700 -0.011 0.000 1.034 281 E HN 0.630 nan 8.360 nan 0.000 0.468 282 G N 2.157 110.937 108.800 -0.033 0.000 2.221 282 G HA2 -0.239 3.721 3.960 0.000 0.000 0.265 282 G HA3 -0.239 3.721 3.960 0.000 0.000 0.265 282 G C 0.158 175.032 174.900 -0.043 0.000 1.041 282 G CA -0.217 44.864 45.100 -0.033 0.000 0.807 282 G HN 0.179 nan 8.290 nan 0.000 0.502 283 I N 1.875 122.422 120.570 -0.037 0.000 2.471 283 I HA 0.211 4.381 4.170 0.000 0.000 0.286 283 I C 0.309 176.384 176.117 -0.069 0.000 1.079 283 I CA -0.830 60.421 61.300 -0.082 0.000 1.398 283 I CB 0.875 38.840 38.000 -0.059 0.000 1.403 283 I HN 0.420 nan 8.210 nan 0.000 0.530 284 D N 8.743 129.079 120.400 -0.106 0.000 2.473 284 D HA 0.336 4.976 4.640 0.000 0.000 0.226 284 D C -2.742 173.505 176.300 -0.089 0.000 1.089 284 D CA -1.540 52.413 54.000 -0.078 0.000 0.883 284 D CB 1.594 42.354 40.800 -0.067 0.000 1.029 284 D HN 0.198 nan 8.370 nan 0.000 0.517 285 P HA 0.134 nan 4.420 nan 0.000 0.274 285 P C 0.233 177.585 177.300 0.086 0.000 1.256 285 P CA -0.295 62.885 63.100 0.134 0.000 0.795 285 P CB 1.650 33.534 31.700 0.306 0.000 1.038 286 D N -0.314 120.175 120.400 0.148 0.000 2.123 286 D HA 0.045 4.686 4.640 0.000 0.000 0.200 286 D C 0.679 176.993 176.300 0.024 0.000 0.976 286 D CA 1.411 55.448 54.000 0.062 0.000 0.831 286 D CB 0.130 40.976 40.800 0.077 0.000 0.974 286 D HN 0.289 nan 8.370 nan 0.000 0.469 287 L N 0.385 121.636 121.223 0.046 0.000 2.388 287 L HA 0.540 4.880 4.340 0.000 0.000 0.264 287 L C -0.678 176.191 176.870 -0.001 0.000 0.998 287 L CA -0.814 54.028 54.840 0.003 0.000 0.817 287 L CB 3.206 45.263 42.059 -0.004 0.000 1.338 287 L HN -0.167 nan 8.230 nan 0.000 0.414 288 I N 1.761 122.306 120.570 -0.041 0.000 2.533 288 I HA 0.497 4.667 4.170 0.000 0.000 0.290 288 I C -1.102 174.991 176.117 -0.040 0.000 1.056 288 I CA -0.661 60.599 61.300 -0.067 0.000 1.057 288 I CB 2.105 39.993 38.000 -0.187 0.000 1.240 288 I HN 0.239 nan 8.210 nan 0.000 0.423 289 V N 5.734 125.647 119.914 -0.000 0.000 2.427 289 V HA 0.587 4.708 4.120 0.000 0.000 0.286 289 V C 0.192 176.341 176.094 0.092 0.000 1.034 289 V CA -0.300 62.029 62.300 0.048 0.000 0.893 289 V CB 1.374 33.226 31.823 0.048 0.000 0.982 289 V HN 0.837 nan 8.190 nan 0.000 0.452 290 T N 1.407 116.046 114.554 0.142 0.000 2.906 290 T HA 0.963 5.313 4.350 0.000 0.000 0.295 290 T C -0.496 174.330 174.700 0.209 0.000 1.061 290 T CA -0.223 62.023 62.100 0.244 0.000 1.000 290 T CB 2.333 71.449 68.868 0.413 0.000 1.103 290 T HN 1.410 nan 8.240 nan 0.000 0.486 294 I N 1.212 121.523 120.570 -0.431 0.000 2.248 294 I HA 0.015 4.185 4.170 0.000 0.000 0.248 294 I C 1.933 177.725 176.117 -0.542 0.000 1.107 294 I CA 2.100 62.858 61.300 -0.904 0.000 1.373 294 I CB 0.231 37.912 38.000 -0.532 0.000 1.055 294 I HN 0.218 nan 8.210 nan 0.000 0.418 295 A N -0.518 122.128 122.820 -0.290 0.000 2.594 295 A HA 0.491 4.811 4.320 0.000 0.000 0.292 295 A C 1.123 178.629 177.584 -0.130 0.000 1.026 295 A CA 0.326 52.248 52.037 -0.190 0.000 0.983 295 A CB -0.040 18.874 19.000 -0.144 0.000 1.233 295 A HN 0.622 nan 8.150 nan 0.000 0.519 296 G N -1.236 107.487 108.800 -0.127 0.000 2.203 296 G HA2 0.107 4.067 3.960 0.000 0.000 0.263 296 G HA3 0.107 4.067 3.960 0.000 0.000 0.263 296 G C 1.523 176.385 174.900 -0.064 0.000 1.012 296 G CA 1.215 46.265 45.100 -0.084 0.000 0.749 296 G HN 2.238 nan 8.290 nan 0.000 0.512 297 G N -2.341 106.419 108.800 -0.065 0.000 2.253 297 G HA2 -0.109 3.851 3.960 0.000 0.000 0.209 297 G HA3 -0.109 3.851 3.960 0.000 0.000 0.209 297 G C 0.321 175.191 174.900 -0.050 0.000 0.997 297 G CA 0.169 45.239 45.100 -0.051 0.000 0.640 297 G HN 1.013 nan 8.290 nan 0.000 0.496 298 L N 1.612 122.799 121.223 -0.060 0.000 2.417 298 L HA 0.412 4.752 4.340 0.000 0.000 0.268 298 L C -1.906 174.932 176.870 -0.052 0.000 1.158 298 L CA -1.219 53.586 54.840 -0.058 0.000 0.819 298 L CB 0.366 42.386 42.059 -0.065 0.000 1.112 298 L HN -0.059 nan 8.230 nan 0.000 0.458 299 P HA 0.350 nan 4.420 nan 0.000 0.274 299 P C -0.873 176.419 177.300 -0.015 0.000 1.291 299 P CA -0.128 62.956 63.100 -0.026 0.000 0.815 299 P CB 0.750 32.431 31.700 -0.033 0.000 0.897 300 L N 3.080 124.297 121.223 -0.011 0.000 2.506 300 L HA 0.708 5.048 4.340 0.000 0.000 0.257 300 L C -0.745 176.135 176.870 0.017 0.000 0.964 300 L CA -0.145 54.688 54.840 -0.011 0.000 0.836 300 L CB 2.188 44.209 42.059 -0.063 0.000 1.384 300 L HN 0.430 nan 8.230 nan 0.000 0.410 301 S N 2.223 117.953 115.700 0.050 0.000 2.671 301 S HA 1.064 5.534 4.470 0.000 0.000 0.277 301 S C -1.084 173.580 174.600 0.108 0.000 1.165 301 S CA -0.168 58.095 58.200 0.105 0.000 0.822 301 S CB 1.729 65.026 63.200 0.163 0.000 1.150 301 S HN 1.622 nan 8.310 nan 0.000 0.479 302 A N 0.064 122.982 122.820 0.164 0.000 2.608 302 A HA 0.749 5.070 4.320 0.000 0.000 0.292 302 A C -1.664 176.031 177.584 0.186 0.000 1.066 302 A CA -0.711 51.407 52.037 0.134 0.000 0.676 302 A CB 1.281 20.299 19.000 0.029 0.000 1.277 302 A HN 1.356 nan 8.150 nan 0.000 0.413 303 V N 1.045 121.076 119.914 0.195 0.000 2.540 303 V HA 0.746 4.866 4.120 0.000 0.000 0.302 303 V C -0.204 175.922 176.094 0.052 0.000 1.035 303 V CA -0.334 62.043 62.300 0.129 0.000 0.873 303 V CB 1.798 33.727 31.823 0.176 0.000 0.992 303 V HN 0.955 nan 8.190 nan 0.000 0.428 304 T N 2.957 117.510 114.554 -0.002 0.000 2.863 304 T HA 0.868 5.218 4.350 0.000 0.000 0.285 304 T C 0.113 174.786 174.700 -0.044 0.000 1.009 304 T CA -0.364 61.714 62.100 -0.037 0.000 0.989 304 T CB 1.896 70.714 68.868 -0.083 0.000 1.004 304 T HN 1.157 nan 8.240 nan 0.000 0.455 305 G N 1.182 109.958 108.800 -0.040 0.000 2.559 305 G HA2 0.520 4.480 3.960 0.000 0.000 0.291 305 G HA3 0.520 4.480 3.960 0.000 0.000 0.291 305 G C -1.445 173.426 174.900 -0.049 0.000 1.424 305 G CA -1.129 43.945 45.100 -0.044 0.000 0.786 305 G HN 0.671 nan 8.290 nan 0.000 0.485 306 R N 0.175 120.640 120.500 -0.058 0.000 2.537 306 R HA 0.292 4.632 4.340 0.000 0.000 0.281 306 R C 1.637 177.896 176.300 -0.068 0.000 0.988 306 R CA 0.485 56.549 56.100 -0.061 0.000 1.077 306 R CB 0.875 31.132 30.300 -0.071 0.000 0.932 306 R HN 0.654 nan 8.270 nan 0.000 0.409 307 A N 3.951 126.744 122.820 -0.045 0.000 1.908 307 A HA -0.234 4.086 4.320 0.000 0.000 0.218 307 A C 1.908 179.468 177.584 -0.039 0.000 1.181 307 A CA 1.788 53.806 52.037 -0.032 0.000 0.627 307 A CB -0.386 18.606 19.000 -0.014 0.000 0.818 307 A HN 0.908 nan 8.150 nan 0.000 0.445 308 E N 0.440 120.611 120.200 -0.048 0.000 2.204 308 E HA -0.177 4.173 4.350 0.000 0.000 0.195 308 E C 1.881 178.402 176.600 -0.131 0.000 0.990 308 E CA 1.479 57.861 56.400 -0.031 0.000 0.821 308 E CB -0.558 29.149 29.700 0.013 0.000 0.750 308 E HN 0.713 nan 8.360 nan 0.000 0.477 309 I N 0.472 120.856 120.570 -0.309 0.000 2.235 309 I HA -0.167 4.003 4.170 0.000 0.000 0.241 309 I C 2.691 178.710 176.117 -0.163 0.000 1.085 309 I CA 0.693 61.674 61.300 -0.532 0.000 1.378 309 I CB -0.333 37.372 38.000 -0.492 0.000 1.076 309 I HN -0.017 nan 8.210 nan 0.000 0.415 310 M N 0.263 119.809 119.600 -0.091 0.000 2.202 310 M HA -0.207 4.273 4.480 0.000 0.000 0.262 310 M C 1.227 177.534 176.300 0.011 0.000 1.063 310 M CA 1.655 56.943 55.300 -0.020 0.000 1.097 310 M CB -1.125 31.469 32.600 -0.010 0.000 1.382 310 M HN 0.185 nan 8.290 nan 0.000 0.413 311 D N -0.366 120.041 120.400 0.012 0.000 2.340 311 D HA 0.058 4.698 4.640 0.000 0.000 0.220 311 D C 1.820 178.155 176.300 0.058 0.000 1.039 311 D CA 0.265 54.285 54.000 0.033 0.000 0.866 311 D CB 0.150 40.968 40.800 0.030 0.000 0.913 311 D HN 0.181 nan 8.370 nan 0.000 0.523 312 S N 0.850 116.603 115.700 0.087 0.000 2.356 312 S HA -0.032 4.438 4.470 0.000 0.000 0.223 312 S C -1.676 172.984 174.600 0.099 0.000 1.032 312 S CA 0.373 58.652 58.200 0.131 0.000 1.005 312 S CB -0.740 62.596 63.200 0.227 0.000 0.867 312 S HN 0.270 nan 8.310 nan 0.000 0.449 313 P HA 0.032 nan 4.420 nan 0.000 0.265 313 P C -0.133 177.114 177.300 -0.088 0.000 1.193 313 P CA 0.242 63.315 63.100 -0.046 0.000 0.765 313 P CB 0.139 31.772 31.700 -0.111 0.000 0.823 314 H N 0.971 120.071 119.070 0.049 0.000 2.836 314 H HA 0.092 4.649 4.556 0.000 0.000 0.368 314 H C 0.007 175.360 175.328 0.041 0.000 1.164 314 H CA -0.667 55.404 56.048 0.039 0.000 1.425 314 H CB -0.310 29.471 29.762 0.030 0.000 1.414 314 H HN 0.072 nan 8.280 nan 0.000 0.614 315 V N 2.093 122.062 119.914 0.091 0.000 2.644 315 V HA -0.148 3.972 4.120 0.000 0.000 0.305 315 V C 0.997 177.129 176.094 0.063 0.000 1.053 315 V CA 1.211 63.540 62.300 0.048 0.000 1.186 315 V CB 0.391 32.245 31.823 0.051 0.000 0.895 315 V HN 1.045 nan 8.190 nan 0.000 0.490 316 S N 2.678 118.392 115.700 0.023 0.000 3.084 316 S HA -0.189 4.281 4.470 0.000 0.000 0.277 316 S C 1.563 176.175 174.600 0.020 0.000 1.295 316 S CA 0.936 59.160 58.200 0.040 0.000 1.170 316 S CB -1.397 61.844 63.200 0.068 0.000 1.412 316 S HN 1.259 nan 8.310 nan 0.000 0.669 317 G N -0.395 108.315 108.800 -0.151 0.000 2.712 317 G HA2 0.378 4.338 3.960 0.000 0.000 0.212 317 G HA3 0.378 4.338 3.960 0.000 0.000 0.212 317 G C 0.239 175.078 174.900 -0.101 0.000 1.142 317 G CA 0.345 45.261 45.100 -0.307 0.000 0.789 317 G HN 0.490 nan 8.290 nan 0.000 0.535 318 L N -0.769 120.447 121.223 -0.012 0.000 2.354 318 L HA 0.776 5.117 4.340 0.000 0.000 0.269 318 L C 0.630 177.616 176.870 0.195 0.000 1.005 318 L CA -0.208 54.709 54.840 0.127 0.000 0.819 318 L CB 2.247 44.417 42.059 0.186 0.000 1.311 318 L HN 0.257 nan 8.230 nan 0.000 0.423 319 G N 0.905 109.902 108.800 0.329 0.000 2.451 319 G HA2 0.455 4.415 3.960 0.000 0.000 0.083 319 G HA3 0.455 4.415 3.960 0.000 0.000 0.083 319 G C -0.463 174.636 174.900 0.332 0.000 1.107 319 G CA 0.274 45.563 45.100 0.315 0.000 1.117 319 G HN 1.253 nan 8.290 nan 0.000 0.454 320 G N -2.531 106.402 108.800 0.223 0.000 2.335 320 G HA2 0.482 4.442 3.960 0.000 0.000 0.592 320 G HA3 0.482 4.442 3.960 0.000 0.000 0.592 320 G C 0.445 175.457 174.900 0.187 0.000 1.442 320 G CA 0.560 45.779 45.100 0.200 0.000 0.976 320 G HN 1.390 nan 8.290 nan 0.000 0.652 321 T N 0.254 114.876 114.554 0.113 0.000 2.701 321 T HA -0.053 4.298 4.350 0.000 0.000 0.263 321 T C 1.873 176.759 174.700 0.310 0.000 1.040 321 T CA 2.453 64.617 62.100 0.107 0.000 1.147 321 T CB -0.202 68.584 68.868 -0.137 0.000 0.865 321 T HN 0.457 nan 8.240 nan 0.000 0.426 322 Y N 1.314 121.775 120.300 0.268 0.000 2.490 322 Y HA 0.387 4.937 4.550 0.000 0.000 0.285 322 Y C 1.875 177.945 175.900 0.283 0.000 1.117 322 Y CA -1.190 57.087 58.100 0.295 0.000 1.262 322 Y CB -0.827 37.739 38.460 0.176 0.000 1.043 322 Y HN 0.154 nan 8.280 nan 0.000 0.553 323 G N 0.143 109.187 108.800 0.406 0.000 2.287 323 G HA2 0.282 4.242 3.960 0.000 0.000 0.235 323 G HA3 0.282 4.242 3.960 0.000 0.000 0.235 323 G C 1.048 176.106 174.900 0.264 0.000 1.258 323 G CA 0.376 45.644 45.100 0.281 0.000 0.884 323 G HN 0.710 nan 8.290 nan 0.000 0.518 324 G N 1.408 110.264 108.800 0.094 0.000 2.272 324 G HA2 -0.319 3.641 3.960 0.000 0.000 0.280 324 G HA3 -0.319 3.641 3.960 0.000 0.000 0.280 324 G C 0.510 175.598 174.900 0.313 0.000 1.067 324 G CA 0.254 45.370 45.100 0.026 0.000 0.902 324 G HN 1.107 nan 8.290 nan 0.000 0.500 325 N N 0.673 119.518 118.700 0.241 0.000 2.412 325 N HA 0.064 4.804 4.740 0.000 0.000 0.254 325 N C -0.115 175.477 175.510 0.137 0.000 1.232 325 N CA -0.377 52.811 53.050 0.231 0.000 0.880 325 N CB 1.159 39.718 38.487 0.120 0.000 1.076 325 N HN 0.169 nan 8.380 nan 0.000 0.458 326 P HA -0.109 nan 4.420 nan 0.000 0.218 326 P C 1.583 178.773 177.300 -0.183 0.000 1.149 326 P CA 1.153 64.134 63.100 -0.198 0.000 0.817 326 P CB 0.306 31.569 31.700 -0.729 0.000 0.785 327 I N 0.135 120.603 120.570 -0.169 0.000 2.286 327 I HA -0.174 3.996 4.170 0.000 0.000 0.245 327 I C 2.645 178.710 176.117 -0.087 0.000 1.104 327 I CA 1.335 62.552 61.300 -0.139 0.000 1.397 327 I CB -0.851 37.077 38.000 -0.120 0.000 1.072 327 I HN -0.099 nan 8.210 nan 0.000 0.417 328 A N -0.052 122.732 122.820 -0.060 0.000 1.933 328 A HA -0.227 4.093 4.320 0.000 0.000 0.218 328 A C 2.443 179.993 177.584 -0.058 0.000 1.175 328 A CA 1.771 53.775 52.037 -0.055 0.000 0.628 328 A CB -1.194 17.782 19.000 -0.040 0.000 0.814 328 A HN 0.538 nan 8.150 nan 0.000 0.444 329 C N -1.136 118.146 119.300 -0.030 0.000 2.429 329 C HA 0.062 4.522 4.460 0.000 0.000 0.277 329 C C 3.327 178.298 174.990 -0.033 0.000 1.262 329 C CA 0.727 59.729 59.018 -0.027 0.000 1.733 329 C CB -1.331 26.443 27.740 0.056 0.000 2.010 329 C HN 0.713 nan 8.230 nan 0.000 0.483 330 A N 0.655 123.451 122.820 -0.039 0.000 1.908 330 A HA -0.048 4.272 4.320 0.000 0.000 0.218 330 A C 2.365 179.919 177.584 -0.051 0.000 1.181 330 A CA 2.333 54.342 52.037 -0.046 0.000 0.627 330 A CB -0.972 17.983 19.000 -0.074 0.000 0.818 330 A HN 0.603 nan 8.150 nan 0.000 0.445 331 A N -0.340 122.442 122.820 -0.063 0.000 1.902 331 A HA 0.163 4.483 4.320 0.000 0.000 0.217 331 A C 2.500 180.034 177.584 -0.084 0.000 1.181 331 A CA 2.123 54.119 52.037 -0.068 0.000 0.623 331 A CB -0.971 17.986 19.000 -0.072 0.000 0.818 331 A HN 1.079 nan 8.150 nan 0.000 0.443 332 A N -0.203 122.558 122.820 -0.099 0.000 1.898 332 A HA -0.008 4.312 4.320 0.000 0.000 0.216 332 A C 2.157 179.686 177.584 -0.090 0.000 1.181 332 A CA 1.422 53.377 52.037 -0.137 0.000 0.620 332 A CB -0.599 18.312 19.000 -0.148 0.000 0.819 332 A HN 0.469 nan 8.150 nan 0.000 0.442 333 L N -0.735 120.459 121.223 -0.050 0.000 2.046 333 L HA -0.208 4.132 4.340 0.000 0.000 0.208 333 L C 3.087 179.947 176.870 -0.016 0.000 1.077 333 L CA 1.108 55.938 54.840 -0.017 0.000 0.747 333 L CB -0.603 41.454 42.059 -0.003 0.000 0.896 333 L HN 0.439 nan 8.230 nan 0.000 0.432 334 A N -0.439 122.364 122.820 -0.029 0.000 1.933 334 A HA -0.187 4.133 4.320 0.000 0.000 0.218 334 A C 2.369 179.937 177.584 -0.028 0.000 1.175 334 A CA 2.271 54.293 52.037 -0.024 0.000 0.628 334 A CB -0.843 18.140 19.000 -0.028 0.000 0.814 334 A HN 0.386 nan 8.150 nan 0.000 0.444 335 T N 0.370 114.892 114.554 -0.053 0.000 2.708 335 T HA -0.099 4.251 4.350 0.000 0.000 0.266 335 T C 1.802 176.485 174.700 -0.028 0.000 1.037 335 T CA 1.546 63.607 62.100 -0.065 0.000 1.146 335 T CB -0.422 68.360 68.868 -0.143 0.000 0.865 335 T HN 0.427 nan 8.240 nan 0.000 0.435 336 I N 1.003 121.568 120.570 -0.008 0.000 2.163 336 I HA -0.205 3.965 4.170 0.000 0.000 0.243 336 I C 2.619 178.762 176.117 0.044 0.000 1.085 336 I CA 1.520 62.860 61.300 0.065 0.000 1.347 336 I CB -0.393 37.669 38.000 0.104 0.000 1.044 336 I HN 0.320 nan 8.210 nan 0.000 0.408 337 E N 0.067 120.281 120.200 0.024 0.000 2.110 337 E HA -0.178 4.172 4.350 0.000 0.000 0.193 337 E C 2.135 178.743 176.600 0.014 0.000 0.988 337 E CA 1.792 58.203 56.400 0.019 0.000 0.804 337 E CB -0.115 29.592 29.700 0.012 0.000 0.745 337 E HN 0.483 nan 8.360 nan 0.000 0.458 338 T N 1.202 115.761 114.554 0.008 0.000 2.737 338 T HA -0.116 4.234 4.350 0.000 0.000 0.265 338 T C 1.971 176.677 174.700 0.010 0.000 1.038 338 T CA 0.881 62.985 62.100 0.007 0.000 1.144 338 T CB -0.188 68.680 68.868 0.001 0.000 0.866 338 T HN 0.105 nan 8.240 nan 0.000 0.434 339 I N 0.993 121.572 120.570 0.016 0.000 2.163 339 I HA -0.197 3.973 4.170 0.000 0.000 0.243 339 I C 2.672 178.797 176.117 0.012 0.000 1.085 339 I CA 1.516 62.826 61.300 0.017 0.000 1.347 339 I CB -0.374 37.648 38.000 0.037 0.000 1.044 339 I HN 0.344 nan 8.210 nan 0.000 0.408 340 E N 0.412 120.623 120.200 0.018 0.000 2.046 340 E HA -0.171 4.179 4.350 0.000 0.000 0.190 340 E C 2.308 178.915 176.600 0.010 0.000 0.982 340 E CA 1.658 58.067 56.400 0.015 0.000 0.800 340 E CB -0.106 29.607 29.700 0.022 0.000 0.756 340 E HN 0.525 nan 8.360 nan 0.000 0.449 341 S N 0.891 116.597 115.700 0.011 0.000 2.406 341 S HA -0.072 4.398 4.470 0.000 0.000 0.228 341 S C 1.579 176.182 174.600 0.006 0.000 1.020 341 S CA 0.734 58.939 58.200 0.008 0.000 0.965 341 S CB 0.041 63.246 63.200 0.008 0.000 0.798 341 S HN 0.108 nan 8.310 nan 0.000 0.488 342 E N 0.933 121.136 120.200 0.006 0.000 2.481 342 E HA 0.242 4.592 4.350 0.000 0.000 0.198 342 E C 1.015 177.617 176.600 0.002 0.000 1.027 342 E CA 0.385 56.787 56.400 0.005 0.000 0.900 342 E CB 0.115 29.819 29.700 0.006 0.000 0.993 342 E HN 0.670 nan 8.360 nan 0.000 0.482 343 G N 2.370 111.171 108.800 0.001 0.000 2.295 343 G HA2 -0.284 3.676 3.960 0.000 0.000 0.287 343 G HA3 -0.284 3.676 3.960 0.000 0.000 0.287 343 G C 0.824 175.720 174.900 -0.006 0.000 1.055 343 G CA 0.408 45.507 45.100 -0.003 0.000 0.922 343 G HN 0.328 nan 8.290 nan 0.000 0.503 344 L N -0.861 120.358 121.223 -0.007 0.000 2.291 344 L HA -0.050 4.290 4.340 0.000 0.000 0.214 344 L C 2.838 179.695 176.870 -0.020 0.000 1.120 344 L CA 0.845 55.679 54.840 -0.010 0.000 0.799 344 L CB -0.444 41.611 42.059 -0.007 0.000 0.925 344 L HN 0.335 nan 8.230 nan 0.000 0.446 345 V N 0.530 120.428 119.914 -0.027 0.000 2.295 345 V HA -0.299 3.821 4.120 0.000 0.000 0.246 345 V C 2.795 178.873 176.094 -0.026 0.000 1.049 345 V CA 1.964 64.241 62.300 -0.038 0.000 1.024 345 V CB -0.765 31.031 31.823 -0.045 0.000 0.648 345 V HN 0.496 nan 8.190 nan 0.000 0.447 346 A N 0.124 122.934 122.820 -0.017 0.000 1.930 346 A HA -0.226 4.095 4.320 0.000 0.000 0.217 346 A C 2.284 179.860 177.584 -0.013 0.000 1.175 346 A CA 1.931 53.961 52.037 -0.012 0.000 0.627 346 A CB -0.508 18.487 19.000 -0.008 0.000 0.815 346 A HN 0.455 nan 8.150 nan 0.000 0.443 347 R N 0.394 120.887 120.500 -0.012 0.000 2.081 347 R HA -0.048 4.292 4.340 0.000 0.000 0.235 347 R C 2.100 178.392 176.300 -0.015 0.000 1.131 347 R CA 1.936 58.029 56.100 -0.011 0.000 0.960 347 R CB -0.896 29.399 30.300 -0.008 0.000 0.856 347 R HN 0.384 nan 8.270 nan 0.000 0.436 348 A N 0.239 123.047 122.820 -0.020 0.000 1.940 348 A HA -0.223 4.097 4.320 0.000 0.000 0.219 348 A C 2.083 179.651 177.584 -0.025 0.000 1.176 348 A CA 1.673 53.696 52.037 -0.024 0.000 0.631 348 A CB -0.510 18.469 19.000 -0.035 0.000 0.814 348 A HN 0.561 nan 8.150 nan 0.000 0.446 349 Q N -0.729 119.056 119.800 -0.024 0.000 2.084 349 Q HA -0.240 4.100 4.340 0.000 0.000 0.202 349 Q C 2.306 178.294 176.000 -0.019 0.000 0.978 349 Q CA 1.793 57.584 55.803 -0.021 0.000 0.844 349 Q CB -0.212 28.518 28.738 -0.014 0.000 0.898 349 Q HN 0.792 nan 8.270 nan 0.000 0.426 350 Q N 0.186 119.977 119.800 -0.016 0.000 2.084 350 Q HA -0.131 4.209 4.340 0.000 0.000 0.202 350 Q C 2.043 178.031 176.000 -0.020 0.000 0.978 350 Q CA 1.067 56.861 55.803 -0.016 0.000 0.844 350 Q CB -0.038 28.692 28.738 -0.013 0.000 0.898 350 Q HN 0.427 nan 8.270 nan 0.000 0.426 351 I N 0.572 121.131 120.570 -0.020 0.000 2.315 351 I HA -0.243 3.927 4.170 0.000 0.000 0.248 351 I C 2.471 178.571 176.117 -0.029 0.000 1.117 351 I CA 0.987 62.274 61.300 -0.022 0.000 1.404 351 I CB -0.246 37.746 38.000 -0.012 0.000 1.071 351 I HN 0.312 nan 8.210 nan 0.000 0.419 352 E N 1.636 121.820 120.200 -0.027 0.000 2.058 352 E HA -0.319 4.031 4.350 0.000 0.000 0.194 352 E C 2.233 178.812 176.600 -0.035 0.000 0.997 352 E CA 1.613 57.994 56.400 -0.031 0.000 0.801 352 E CB 0.002 29.681 29.700 -0.035 0.000 0.746 352 E HN 0.314 nan 8.360 nan 0.000 0.450 353 K N 0.351 120.733 120.400 -0.030 0.000 2.032 353 K HA -0.171 4.149 4.320 0.000 0.000 0.209 353 K C 2.221 178.798 176.600 -0.039 0.000 1.048 353 K CA 1.654 57.923 56.287 -0.029 0.000 0.927 353 K CB -0.174 32.313 32.500 -0.022 0.000 0.712 353 K HN 0.177 nan 8.250 nan 0.000 0.441 354 I N 0.790 121.334 120.570 -0.043 0.000 2.179 354 I HA -0.321 3.849 4.170 0.000 0.000 0.242 354 I C 2.563 178.630 176.117 -0.083 0.000 1.088 354 I CA 1.348 62.615 61.300 -0.055 0.000 1.357 354 I CB -0.165 37.804 38.000 -0.051 0.000 1.051 354 I HN 0.276 nan 8.210 nan 0.000 0.409 355 M N -0.009 119.533 119.600 -0.097 0.000 2.132 355 M HA -0.205 4.276 4.480 0.000 0.000 0.263 355 M C 2.283 178.504 176.300 -0.132 0.000 1.065 355 M CA 1.777 56.984 55.300 -0.156 0.000 1.122 355 M CB -0.446 32.059 32.600 -0.159 0.000 1.365 355 M HN 0.130 nan 8.290 nan 0.000 0.411 356 K N 0.028 120.380 120.400 -0.080 0.000 2.148 356 K HA -0.126 4.194 4.320 0.000 0.000 0.204 356 K C 1.458 178.024 176.600 -0.057 0.000 1.050 356 K CA 1.035 57.286 56.287 -0.059 0.000 0.942 356 K CB -0.095 32.383 32.500 -0.037 0.000 0.724 356 K HN 0.268 nan 8.250 nan 0.000 0.446 357 D N 0.527 120.894 120.400 -0.055 0.000 2.084 357 D HA -0.109 4.531 4.640 0.000 0.000 0.196 357 D C 2.051 178.316 176.300 -0.058 0.000 0.985 357 D CA 0.968 54.940 54.000 -0.047 0.000 0.826 357 D CB 0.005 40.781 40.800 -0.040 0.000 0.978 357 D HN 0.021 nan 8.370 nan 0.000 0.456 358 R N 0.426 120.878 120.500 -0.080 0.000 2.073 358 R HA -0.018 4.322 4.340 0.000 0.000 0.234 358 R C 2.605 178.848 176.300 -0.094 0.000 1.134 358 R CA 0.490 56.536 56.100 -0.090 0.000 0.952 358 R CB -1.026 29.201 30.300 -0.122 0.000 0.850 358 R HN 0.304 nan 8.270 nan 0.000 0.433 359 L N -0.493 120.658 121.223 -0.120 0.000 2.093 359 L HA -0.038 4.302 4.340 0.000 0.000 0.208 359 L C 2.518 179.354 176.870 -0.057 0.000 1.085 359 L CA 1.301 56.081 54.840 -0.101 0.000 0.755 359 L CB -0.887 41.098 42.059 -0.123 0.000 0.904 359 L HN 0.304 nan 8.230 nan 0.000 0.435 360 G N -0.013 108.757 108.800 -0.050 0.000 2.440 360 G HA2 -0.340 3.620 3.960 0.000 0.000 0.218 360 G HA3 -0.340 3.620 3.960 0.000 0.000 0.218 360 G C 1.962 176.845 174.900 -0.028 0.000 1.154 360 G CA 1.238 46.319 45.100 -0.033 0.000 0.767 360 G HN 0.389 nan 8.290 nan 0.000 0.552 361 R N -0.016 120.465 120.500 -0.032 0.000 2.092 361 R HA 0.219 4.559 4.340 0.000 0.000 0.231 361 R C 2.437 178.723 176.300 -0.024 0.000 1.119 361 R CA 1.575 57.660 56.100 -0.026 0.000 0.970 361 R CB -1.127 29.157 30.300 -0.028 0.000 0.864 361 R HN 0.401 nan 8.270 nan 0.000 0.440 362 L N 0.890 122.095 121.223 -0.030 0.000 2.017 362 L HA -0.142 4.198 4.340 0.000 0.000 0.208 362 L C 2.690 179.550 176.870 -0.017 0.000 1.073 362 L CA 2.656 57.482 54.840 -0.023 0.000 0.745 362 L CB -0.632 41.411 42.059 -0.026 0.000 0.894 362 L HN 0.612 nan 8.230 nan 0.000 0.432 363 Q N -0.868 118.920 119.800 -0.019 0.000 2.135 363 Q HA -0.237 4.103 4.340 0.000 0.000 0.204 363 Q C 2.076 178.070 176.000 -0.010 0.000 0.981 363 Q CA 1.865 57.659 55.803 -0.016 0.000 0.856 363 Q CB -0.212 28.514 28.738 -0.021 0.000 0.902 363 Q HN 0.639 nan 8.270 nan 0.000 0.425 364 A N 0.240 123.054 122.820 -0.011 0.000 1.972 364 A HA -0.189 4.131 4.320 0.000 0.000 0.219 364 A C 1.942 179.522 177.584 -0.006 0.000 1.169 364 A CA 1.994 54.027 52.037 -0.007 0.000 0.635 364 A CB -0.892 18.103 19.000 -0.008 0.000 0.810 364 A HN 0.658 nan 8.150 nan 0.000 0.446 365 E N -1.126 119.069 120.200 -0.008 0.000 2.447 365 E HA 0.122 4.472 4.350 0.000 0.000 0.195 365 E C 0.157 176.754 176.600 -0.005 0.000 1.028 365 E CA 0.573 56.969 56.400 -0.007 0.000 0.876 365 E CB 0.058 29.753 29.700 -0.008 0.000 0.885 365 E HN 0.462 nan 8.360 nan 0.000 0.500 366 D N 0.227 120.625 120.400 -0.005 0.000 2.402 366 D HA 0.103 4.743 4.640 0.000 0.000 0.252 366 D C -0.625 175.674 176.300 -0.001 0.000 1.294 366 D CA -0.225 53.773 54.000 -0.003 0.000 0.948 366 D CB 1.182 41.980 40.800 -0.004 0.000 1.202 366 D HN 0.160 nan 8.370 nan 0.000 0.561 367 D N 2.171 122.573 120.400 0.002 0.000 2.378 367 D HA -0.076 4.564 4.640 0.000 0.000 0.227 367 D C 1.212 177.519 176.300 0.013 0.000 1.012 367 D CA 0.137 54.142 54.000 0.008 0.000 0.905 367 D CB -0.036 40.770 40.800 0.010 0.000 0.895 367 D HN 0.298 nan 8.370 nan 0.000 0.532 368 R N -0.068 120.436 120.500 0.007 0.000 2.235 368 R HA 0.177 4.517 4.340 0.000 0.000 0.213 368 R C 0.496 176.798 176.300 0.002 0.000 1.059 368 R CA 0.262 56.366 56.100 0.008 0.000 0.997 368 R CB -0.011 30.290 30.300 0.003 0.000 0.884 368 R HN 0.268 nan 8.270 nan 0.000 0.462 369 I N 0.906 121.471 120.570 -0.007 0.000 2.294 369 I HA 0.053 4.223 4.170 0.000 0.000 0.295 369 I C 1.396 177.483 176.117 -0.050 0.000 1.098 369 I CA -0.166 61.115 61.300 -0.032 0.000 1.277 369 I CB 1.514 39.498 38.000 -0.026 0.000 1.434 369 I HN 0.155 nan 8.210 nan 0.000 0.498 370 G N 4.220 112.960 108.800 -0.100 0.000 2.430 370 G HA2 -0.080 3.880 3.960 0.000 0.000 0.216 370 G HA3 -0.080 3.880 3.960 0.000 0.000 0.216 370 G C 0.141 174.815 174.900 -0.377 0.000 1.146 370 G CA 0.469 45.497 45.100 -0.120 0.000 0.793 370 G HN 0.560 nan 8.290 nan 0.000 0.537 371 D N -1.323 118.790 120.400 -0.478 0.000 2.803 371 D HA 0.434 5.075 4.640 0.000 0.000 0.218 371 D C -1.293 174.881 176.300 -0.210 0.000 1.245 371 D CA -0.399 53.345 54.000 -0.426 0.000 0.821 371 D CB 2.196 42.520 40.800 -0.793 0.000 1.626 371 D HN -0.099 nan 8.370 nan 0.000 0.487 372 V N 4.012 123.863 119.914 -0.105 0.000 2.487 372 V HA 0.761 4.881 4.120 0.000 0.000 0.298 372 V C -0.092 175.994 176.094 -0.013 0.000 1.028 372 V CA -0.588 61.688 62.300 -0.040 0.000 0.860 372 V CB 1.565 33.372 31.823 -0.027 0.000 0.991 372 V HN 0.673 nan 8.190 nan 0.000 0.427 373 R N 3.028 123.541 120.500 0.023 0.000 2.752 373 R HA 0.931 5.271 4.340 0.000 0.000 0.271 373 R C -0.148 176.196 176.300 0.072 0.000 1.026 373 R CA -0.324 55.798 56.100 0.036 0.000 0.901 373 R CB 2.048 32.369 30.300 0.035 0.000 1.243 373 R HN 1.350 nan 8.270 nan 0.000 0.463 374 G N 0.473 109.289 108.800 0.028 0.000 2.353 374 G HA2 0.103 4.063 3.960 0.000 0.000 0.615 374 G HA3 0.103 4.063 3.960 0.000 0.000 0.615 374 G C -1.592 173.270 174.900 -0.064 0.000 1.280 374 G CA -0.957 44.138 45.100 -0.009 0.000 1.000 374 G HN 0.645 nan 8.290 nan 0.000 0.516 375 R N -0.757 119.678 120.500 -0.108 0.000 2.740 375 R HA 0.652 4.992 4.340 0.000 0.000 0.273 375 R C 0.877 177.116 176.300 -0.101 0.000 0.998 375 R CA 0.109 56.133 56.100 -0.127 0.000 0.900 375 R CB 1.683 31.861 30.300 -0.203 0.000 1.223 375 R HN 2.433 nan 8.270 nan 0.000 0.466 376 G N 1.246 109.999 108.800 -0.080 0.000 2.622 376 G HA2 -0.386 3.574 3.960 0.000 0.000 0.307 376 G HA3 -0.386 3.574 3.960 0.000 0.000 0.307 376 G C 0.206 175.086 174.900 -0.033 0.000 1.226 376 G CA 0.393 45.458 45.100 -0.058 0.000 0.997 376 G HN 0.765 nan 8.290 nan 0.000 0.551 377 A N -0.568 122.237 122.820 -0.026 0.000 2.833 377 A HA 0.701 5.021 4.320 0.000 0.000 0.293 377 A C 0.645 178.250 177.584 0.035 0.000 1.338 377 A CA 1.027 53.073 52.037 0.015 0.000 0.959 377 A CB -0.227 18.783 19.000 0.016 0.000 1.094 377 A HN 1.034 nan 8.150 nan 0.000 0.569 378 M N 1.532 121.122 119.600 -0.016 0.000 1.986 378 M HA 0.427 4.907 4.480 0.000 0.000 0.247 378 M C -2.068 174.254 176.300 0.037 0.000 0.851 378 M CA -0.257 54.975 55.300 -0.114 0.000 0.785 378 M CB 0.256 32.592 32.600 -0.440 0.000 1.554 378 M HN 0.086 nan 8.290 nan 0.000 0.361 379 I N 2.222 123.016 120.570 0.374 0.000 2.608 379 I HA 0.845 5.015 4.170 0.000 0.000 0.295 379 I C -0.371 176.060 176.117 0.523 0.000 1.049 379 I CA -0.607 60.908 61.300 0.359 0.000 1.063 379 I CB 1.735 39.842 38.000 0.179 0.000 1.248 379 I HN 0.647 nan 8.210 nan 0.000 0.424 380 A N 6.671 129.707 122.820 0.360 0.000 2.556 380 A HA 0.939 5.260 4.320 0.000 0.000 0.294 380 A C -0.876 176.783 177.584 0.126 0.000 1.091 380 A CA -0.680 51.470 52.037 0.189 0.000 0.704 380 A CB 2.420 21.383 19.000 -0.061 0.000 1.300 380 A HN 0.740 nan 8.150 nan 0.000 0.406 381 M N 0.176 119.826 119.600 0.083 0.000 2.393 381 M HA 0.761 5.241 4.480 0.000 0.000 0.316 381 M C -0.761 175.505 176.300 -0.056 0.000 1.087 381 M CA -0.319 54.989 55.300 0.014 0.000 0.937 381 M CB 1.952 34.591 32.600 0.064 0.000 1.668 381 M HN 0.715 nan 8.290 nan 0.000 0.438 382 E N 3.692 123.822 120.200 -0.118 0.000 2.156 382 E HA 0.555 4.905 4.350 0.000 0.000 0.279 382 E C -1.745 174.799 176.600 -0.094 0.000 0.965 382 E CA -0.655 55.676 56.400 -0.114 0.000 0.789 382 E CB 1.396 30.988 29.700 -0.179 0.000 1.098 382 E HN 0.835 nan 8.360 nan 0.000 0.397 383 L N 5.324 126.531 121.223 -0.026 0.000 2.289 383 L HA 0.543 4.883 4.340 0.000 0.000 0.285 383 L C -0.225 176.665 176.870 0.034 0.000 1.049 383 L CA -0.907 53.931 54.840 -0.005 0.000 0.804 383 L CB 1.179 43.234 42.059 -0.008 0.000 1.195 383 L HN 0.447 nan 8.230 nan 0.000 0.428 384 V N -0.361 119.577 119.914 0.041 0.000 3.130 384 V HA 0.553 4.674 4.120 0.000 0.000 0.310 384 V C -0.594 175.521 176.094 0.034 0.000 1.158 384 V CA -1.323 61.014 62.300 0.062 0.000 1.029 384 V CB 1.970 33.875 31.823 0.135 0.000 1.057 384 V HN 0.502 nan 8.190 nan 0.000 0.436 385 K N 2.179 122.592 120.400 0.020 0.000 2.447 385 K HA 0.447 4.767 4.320 0.000 0.000 0.281 385 K C 0.551 177.159 176.600 0.013 0.000 1.031 385 K CA 0.744 57.035 56.287 0.008 0.000 1.019 385 K CB 0.664 33.161 32.500 -0.006 0.000 0.918 385 K HN 1.241 nan 8.250 nan 0.000 0.476 386 A N 1.767 124.594 122.820 0.010 0.000 2.567 386 A HA 0.327 4.647 4.320 0.000 0.000 0.240 386 A C 1.398 178.986 177.584 0.007 0.000 1.053 386 A CA 0.991 53.035 52.037 0.013 0.000 0.755 386 A CB -0.561 18.442 19.000 0.006 0.000 0.978 386 A HN 0.973 nan 8.150 nan 0.000 0.507 387 G N 1.335 110.143 108.800 0.013 0.000 2.179 387 G HA2 -0.102 3.858 3.960 0.000 0.000 0.260 387 G HA3 -0.102 3.858 3.960 0.000 0.000 0.260 387 G C 0.558 175.448 174.900 -0.016 0.000 0.977 387 G CA 1.191 46.291 45.100 -0.001 0.000 0.641 387 G HN 2.505 nan 8.290 nan 0.000 0.533 388 T N -3.964 110.584 114.554 -0.010 0.000 2.804 388 T HA 0.673 5.023 4.350 0.000 0.000 0.290 388 T C 0.881 175.558 174.700 -0.038 0.000 1.099 388 T CA 0.884 62.956 62.100 -0.047 0.000 1.011 388 T CB 1.523 70.359 68.868 -0.052 0.000 1.291 388 T HN 1.034 nan 8.240 nan 0.000 0.523 389 T N -2.055 112.423 114.554 -0.126 0.000 3.176 389 T HA 0.319 4.669 4.350 0.000 0.000 0.263 389 T C 0.030 174.670 174.700 -0.100 0.000 1.021 389 T CA -0.465 61.545 62.100 -0.150 0.000 0.905 389 T CB -0.573 68.021 68.868 -0.456 0.000 1.057 389 T HN 0.690 nan 8.240 nan 0.000 0.558 390 E N 3.629 123.784 120.200 -0.075 0.000 2.324 390 E HA 0.217 4.567 4.350 0.000 0.000 0.271 390 E C -2.447 174.131 176.600 -0.038 0.000 1.028 390 E CA -2.002 54.349 56.400 -0.082 0.000 0.890 390 E CB 0.515 30.178 29.700 -0.062 0.000 1.004 390 E HN 0.331 nan 8.360 nan 0.000 0.431 391 P HA 0.004 nan 4.420 nan 0.000 0.271 391 P C -0.645 176.668 177.300 0.022 0.000 1.218 391 P CA -0.037 63.070 63.100 0.011 0.000 0.780 391 P CB 0.590 32.306 31.700 0.026 0.000 0.901 392 D N 1.717 122.138 120.400 0.035 0.000 2.460 392 D HA 0.331 4.971 4.640 0.000 0.000 0.268 392 D C 1.041 177.354 176.300 0.022 0.000 1.153 392 D CA -0.617 53.396 54.000 0.021 0.000 0.929 392 D CB 0.315 41.122 40.800 0.012 0.000 1.015 392 D HN 0.213 nan 8.370 nan 0.000 0.502 393 A N 2.545 125.384 122.820 0.032 0.000 2.015 393 A HA -0.137 4.184 4.320 0.000 0.000 0.219 393 A C 1.710 179.295 177.584 0.002 0.000 1.163 393 A CA 1.025 53.076 52.037 0.024 0.000 0.646 393 A CB 0.069 19.093 19.000 0.040 0.000 0.806 393 A HN 0.342 nan 8.150 nan 0.000 0.448 394 D N -0.353 120.047 120.400 0.002 0.000 2.097 394 D HA -0.125 4.515 4.640 0.000 0.000 0.197 394 D C 1.837 178.127 176.300 -0.017 0.000 0.984 394 D CA 1.231 55.226 54.000 -0.007 0.000 0.826 394 D CB -0.397 40.400 40.800 -0.005 0.000 0.973 394 D HN 0.361 nan 8.370 nan 0.000 0.460 395 L N 0.780 121.995 121.223 -0.014 0.000 2.046 395 L HA -0.128 4.212 4.340 0.000 0.000 0.208 395 L C 2.092 178.941 176.870 -0.035 0.000 1.077 395 L CA 1.692 56.520 54.840 -0.021 0.000 0.747 395 L CB -0.917 41.134 42.059 -0.014 0.000 0.896 395 L HN -0.046 nan 8.230 nan 0.000 0.432 396 T N -0.275 114.259 114.554 -0.034 0.000 2.684 396 T HA -0.233 4.117 4.350 0.000 0.000 0.267 396 T C 1.885 176.541 174.700 -0.073 0.000 1.036 396 T CA 1.973 64.040 62.100 -0.055 0.000 1.148 396 T CB -0.210 68.632 68.868 -0.044 0.000 0.863 396 T HN 0.361 nan 8.240 nan 0.000 0.436 397 K N 1.022 121.388 120.400 -0.057 0.000 2.057 397 K HA 0.013 4.333 4.320 0.000 0.000 0.207 397 K C 2.699 179.249 176.600 -0.082 0.000 1.049 397 K CA 1.203 57.452 56.287 -0.063 0.000 0.931 397 K CB -0.317 32.160 32.500 -0.038 0.000 0.714 397 K HN 0.295 nan 8.250 nan 0.000 0.440 398 A N 1.396 124.177 122.820 -0.065 0.000 1.902 398 A HA -0.163 4.158 4.320 0.000 0.000 0.217 398 A C 2.082 179.611 177.584 -0.092 0.000 1.181 398 A CA 1.169 53.167 52.037 -0.066 0.000 0.623 398 A CB -0.507 18.467 19.000 -0.044 0.000 0.818 398 A HN 0.215 nan 8.150 nan 0.000 0.443 399 L N -0.050 121.117 121.223 -0.093 0.000 2.017 399 L HA -0.148 4.192 4.340 0.000 0.000 0.208 399 L C 2.502 179.264 176.870 -0.179 0.000 1.073 399 L CA 2.118 56.896 54.840 -0.103 0.000 0.745 399 L CB -1.121 40.892 42.059 -0.077 0.000 0.894 399 L HN 0.486 nan 8.230 nan 0.000 0.432 400 C N -0.431 118.725 119.300 -0.240 0.000 2.429 400 C HA -0.108 4.352 4.460 0.000 0.000 0.277 400 C C 2.988 177.505 174.990 -0.788 0.000 1.262 400 C CA 0.641 59.380 59.018 -0.465 0.000 1.733 400 C CB -1.679 25.854 27.740 -0.345 0.000 2.010 400 C HN 0.709 nan 8.230 nan 0.000 0.483 401 A N 0.866 123.432 122.820 -0.423 0.000 1.902 401 A HA 0.047 4.368 4.320 0.000 0.000 0.217 401 A C 2.409 179.879 177.584 -0.190 0.000 1.181 401 A CA 2.140 54.016 52.037 -0.269 0.000 0.623 401 A CB -1.230 17.708 19.000 -0.102 0.000 0.818 401 A HN 0.557 nan 8.150 nan 0.000 0.443 402 G N -0.699 108.008 108.800 -0.155 0.000 2.408 402 G HA2 0.057 4.017 3.960 0.000 0.000 0.217 402 G HA3 0.057 4.017 3.960 0.000 0.000 0.217 402 G C 1.729 176.585 174.900 -0.074 0.000 1.150 402 G CA 1.341 46.391 45.100 -0.084 0.000 0.776 402 G HN 0.773 nan 8.290 nan 0.000 0.542 403 A N 0.738 123.483 122.820 -0.125 0.000 1.877 403 A HA -0.069 4.251 4.320 0.000 0.000 0.216 403 A C 2.032 179.639 177.584 0.039 0.000 1.186 403 A CA 1.788 53.794 52.037 -0.053 0.000 0.620 403 A CB -0.843 18.117 19.000 -0.066 0.000 0.822 403 A HN 0.592 nan 8.150 nan 0.000 0.443 404 H N -0.646 118.413 119.070 -0.018 0.000 2.352 404 H HA -0.036 4.520 4.556 0.000 0.000 0.299 404 H C 2.447 177.767 175.328 -0.013 0.000 1.097 404 H CA 0.728 56.764 56.048 -0.019 0.000 1.311 404 H CB -0.034 29.713 29.762 -0.024 0.000 1.377 404 H HN 0.564 nan 8.280 nan 0.000 0.504 405 A N 1.078 123.957 122.820 0.100 0.000 2.019 405 A HA -0.010 4.310 4.320 0.000 0.000 0.219 405 A C 2.239 179.841 177.584 0.030 0.000 1.164 405 A CA 1.272 53.338 52.037 0.049 0.000 0.644 405 A CB -0.424 18.588 19.000 0.020 0.000 0.805 405 A HN 0.451 nan 8.150 nan 0.000 0.449 406 A N -1.537 121.301 122.820 0.030 0.000 2.415 406 A HA 0.461 4.782 4.320 0.000 0.000 0.248 406 A C 1.431 179.031 177.584 0.027 0.000 1.299 406 A CA 0.834 52.882 52.037 0.019 0.000 0.899 406 A CB -1.040 17.968 19.000 0.013 0.000 0.997 406 A HN 1.845 nan 8.150 nan 0.000 0.506 407 G N -1.068 107.756 108.800 0.039 0.000 2.182 407 G HA2 -0.130 3.830 3.960 0.000 0.000 0.248 407 G HA3 -0.130 3.830 3.960 0.000 0.000 0.248 407 G C -0.166 174.762 174.900 0.046 0.000 1.042 407 G CA 0.199 45.320 45.100 0.034 0.000 0.775 407 G HN 0.948 nan 8.290 nan 0.000 0.501 408 V N 0.974 120.933 119.914 0.074 0.000 2.531 408 V HA 0.511 4.631 4.120 0.000 0.000 0.301 408 V C 0.612 176.779 176.094 0.122 0.000 1.034 408 V CA -0.926 61.424 62.300 0.083 0.000 0.865 408 V CB 1.894 33.767 31.823 0.085 0.000 0.995 408 V HN 0.320 nan 8.190 nan 0.000 0.424 409 I N 5.183 125.788 120.570 0.058 0.000 2.363 409 I HA 0.398 4.569 4.170 0.000 0.000 0.292 409 I C -0.290 175.856 176.117 0.049 0.000 1.075 409 I CA 0.080 61.387 61.300 0.012 0.000 1.333 409 I CB 1.167 39.137 38.000 -0.049 0.000 1.415 409 I HN 0.368 nan 8.210 nan 0.000 0.502 410 V N 8.164 128.145 119.914 0.111 0.000 2.808 410 V HA 0.544 4.665 4.120 0.000 0.000 0.308 410 V C -0.707 175.396 176.094 0.015 0.000 1.099 410 V CA -0.497 61.802 62.300 -0.001 0.000 0.920 410 V CB 2.385 34.167 31.823 -0.069 0.000 1.014 410 V HN 0.516 nan 8.190 nan 0.000 0.425 411 L N 4.867 126.007 121.223 -0.140 0.000 2.322 411 L HA 0.821 5.161 4.340 0.000 0.000 0.269 411 L C 0.240 176.971 176.870 -0.232 0.000 1.012 411 L CA -0.484 54.275 54.840 -0.135 0.000 0.815 411 L CB 2.173 44.149 42.059 -0.138 0.000 1.295 411 L HN 0.802 nan 8.230 nan 0.000 0.438 412 S N -0.509 115.084 115.700 -0.179 0.000 2.726 412 S HA 0.889 5.359 4.470 0.000 0.000 0.308 412 S C -0.430 174.056 174.600 -0.190 0.000 1.115 412 S CA -0.521 57.558 58.200 -0.201 0.000 0.965 412 S CB 2.061 65.181 63.200 -0.133 0.000 1.145 412 S HN 0.987 nan 8.310 nan 0.000 0.532 413 C N -2.235 116.958 119.300 -0.179 0.000 3.253 413 C HA 0.974 5.434 4.460 0.000 0.000 0.361 413 C C 0.118 175.058 174.990 -0.084 0.000 1.498 413 C CA -0.067 58.869 59.018 -0.136 0.000 1.163 413 C CB 0.208 27.828 27.740 -0.200 0.000 1.687 413 C HN 2.667 nan 8.230 nan 0.000 0.430 414 G N -0.118 108.657 108.800 -0.041 0.000 2.742 414 G HA2 0.316 4.276 3.960 0.000 0.000 0.686 414 G HA3 0.316 4.276 3.960 0.000 0.000 0.686 414 G C -0.064 174.836 174.900 -0.001 0.000 1.220 414 G CA 0.244 45.341 45.100 -0.004 0.000 0.783 414 G HN 1.690 nan 8.290 nan 0.000 0.646 415 T N 0.797 115.332 114.554 -0.032 0.000 2.737 415 T HA -0.172 4.178 4.350 0.000 0.000 0.269 415 T C 1.606 176.083 174.700 -0.371 0.000 1.040 415 T CA 2.740 64.715 62.100 -0.209 0.000 1.142 415 T CB -0.203 68.512 68.868 -0.255 0.000 0.861 415 T HN 0.531 nan 8.240 nan 0.000 0.456 416 Y N -0.157 120.224 120.300 0.135 0.000 2.507 416 Y HA 0.469 5.019 4.550 0.000 0.000 0.254 416 Y C 1.711 177.642 175.900 0.051 0.000 1.171 416 Y CA -0.619 57.538 58.100 0.095 0.000 1.238 416 Y CB -0.093 38.435 38.460 0.113 0.000 1.148 416 Y HN 0.238 nan 8.280 nan 0.000 0.525 417 G N 1.780 110.643 108.800 0.106 0.000 2.160 417 G HA2 -0.348 3.612 3.960 0.000 0.000 0.251 417 G HA3 -0.348 3.612 3.960 0.000 0.000 0.251 417 G C 0.428 175.351 174.900 0.039 0.000 1.008 417 G CA 0.603 45.731 45.100 0.046 0.000 0.724 417 G HN 0.523 nan 8.290 nan 0.000 0.514 418 N N -0.859 117.883 118.700 0.069 0.000 2.365 418 N HA 0.293 5.033 4.740 0.000 0.000 0.257 418 N C -0.323 175.191 175.510 0.007 0.000 1.287 418 N CA 0.082 53.161 53.050 0.048 0.000 0.882 418 N CB 0.776 39.322 38.487 0.099 0.000 1.250 418 N HN 0.280 nan 8.380 nan 0.000 0.507 419 V N 1.006 120.894 119.914 -0.043 0.000 2.409 419 V HA 0.387 4.507 4.120 0.000 0.000 0.291 419 V C -0.089 175.887 176.094 -0.198 0.000 1.020 419 V CA -0.892 61.342 62.300 -0.110 0.000 0.848 419 V CB 1.920 33.664 31.823 -0.132 0.000 0.990 419 V HN -0.034 nan 8.190 nan 0.000 0.430 420 V N 6.717 126.504 119.914 -0.213 0.000 2.364 420 V HA 0.494 4.614 4.120 0.000 0.000 0.272 420 V C 0.396 176.185 176.094 -0.508 0.000 1.036 420 V CA -0.567 61.530 62.300 -0.339 0.000 0.880 420 V CB 1.042 32.705 31.823 -0.267 0.000 0.991 420 V HN 1.012 nan 8.190 nan 0.000 0.460 421 R N 3.605 123.692 120.500 -0.689 0.000 2.787 421 R HA 0.812 5.152 4.340 0.000 0.000 0.271 421 R C -1.628 174.202 176.300 -0.784 0.000 0.993 421 R CA -0.703 54.944 56.100 -0.754 0.000 0.993 421 R CB 1.473 31.070 30.300 -1.172 0.000 1.155 421 R HN 0.366 nan 8.270 nan 0.000 0.486 422 F N 1.328 121.268 119.950 -0.016 0.000 2.539 422 F HA 0.414 4.941 4.527 0.000 0.000 0.328 422 F C -0.399 175.498 175.800 0.162 0.000 1.148 422 F CA -0.778 57.258 58.000 0.061 0.000 0.940 422 F CB 1.980 41.008 39.000 0.045 0.000 1.194 422 F HN 0.251 nan 8.300 nan 0.000 0.438 423 L N 5.646 127.006 121.223 0.228 0.000 2.678 423 L HA 0.309 4.649 4.340 0.000 0.000 0.250 423 L C -2.469 174.470 176.870 0.114 0.000 1.455 423 L CA -1.661 53.287 54.840 0.180 0.000 0.823 423 L CB 0.784 42.941 42.059 0.162 0.000 1.107 423 L HN 0.249 nan 8.230 nan 0.000 0.514 424 P HA 0.160 nan 4.420 nan 0.000 0.272 424 P C -2.548 174.777 177.300 0.041 0.000 1.223 424 P CA -1.172 61.972 63.100 0.074 0.000 0.784 424 P CB 0.020 31.763 31.700 0.072 0.000 0.923 425 P HA 0.121 nan 4.420 nan 0.000 0.272 425 P C 0.926 178.226 177.300 0.000 0.000 1.223 425 P CA -0.059 63.041 63.100 -0.000 0.000 0.784 425 P CB 0.836 32.523 31.700 -0.021 0.000 0.923 426 L N 1.318 122.539 121.223 -0.004 0.000 2.551 426 L HA -0.088 4.252 4.340 0.000 0.000 0.228 426 L C 2.132 179.000 176.870 -0.004 0.000 1.153 426 L CA 1.170 56.008 54.840 -0.004 0.000 0.851 426 L CB -0.788 41.267 42.059 -0.006 0.000 0.959 426 L HN 0.436 nan 8.230 nan 0.000 0.451 427 S N -0.602 115.093 115.700 -0.008 0.000 2.603 427 S HA 0.048 4.519 4.470 0.000 0.000 0.220 427 S C 0.793 175.389 174.600 -0.007 0.000 0.967 427 S CA -0.306 57.891 58.200 -0.007 0.000 0.920 427 S CB -0.393 62.796 63.200 -0.019 0.000 0.773 427 S HN 0.309 nan 8.310 nan 0.000 0.529 428 I N 2.511 123.077 120.570 -0.006 0.000 2.634 428 I HA 0.404 4.574 4.170 0.000 0.000 0.284 428 I C 0.897 177.015 176.117 0.002 0.000 1.124 428 I CA -0.248 61.051 61.300 -0.002 0.000 1.417 428 I CB 0.522 38.525 38.000 0.005 0.000 1.396 428 I HN 0.282 nan 8.210 nan 0.000 0.571 429 G N 4.352 113.154 108.800 0.004 0.000 2.507 429 G HA2 0.077 4.038 3.960 0.000 0.000 0.271 429 G HA3 0.077 4.038 3.960 0.000 0.000 0.271 429 G C 0.377 175.278 174.900 0.000 0.000 1.189 429 G CA -0.335 44.768 45.100 0.004 0.000 0.859 429 G HN 0.743 nan 8.290 nan 0.000 0.542 430 D N 0.312 120.710 120.400 -0.003 0.000 2.149 430 D HA -0.111 4.529 4.640 0.000 0.000 0.198 430 D C 1.865 178.161 176.300 -0.007 0.000 0.990 430 D CA 1.199 55.195 54.000 -0.008 0.000 0.839 430 D CB 0.122 40.917 40.800 -0.009 0.000 0.948 430 D HN 0.385 nan 8.370 nan 0.000 0.460 431 D N 0.034 120.432 120.400 -0.002 0.000 2.097 431 D HA -0.078 4.562 4.640 0.000 0.000 0.197 431 D C 2.346 178.647 176.300 0.002 0.000 0.984 431 D CA 0.370 54.369 54.000 -0.001 0.000 0.826 431 D CB -0.343 40.459 40.800 0.003 0.000 0.973 431 D HN 0.237 nan 8.370 nan 0.000 0.460 432 L N 0.202 121.429 121.223 0.006 0.000 2.093 432 L HA -0.126 4.214 4.340 0.000 0.000 0.208 432 L C 2.348 179.224 176.870 0.011 0.000 1.085 432 L CA 0.313 55.159 54.840 0.011 0.000 0.755 432 L CB -0.209 41.858 42.059 0.014 0.000 0.904 432 L HN 0.075 nan 8.230 nan 0.000 0.435 433 L N 0.118 121.343 121.223 0.004 0.000 2.017 433 L HA -0.211 4.129 4.340 0.000 0.000 0.208 433 L C 2.229 179.088 176.870 -0.018 0.000 1.073 433 L CA 1.843 56.681 54.840 -0.003 0.000 0.745 433 L CB -0.890 41.162 42.059 -0.012 0.000 0.894 433 L HN 0.242 nan 8.230 nan 0.000 0.432 434 N N -0.240 118.447 118.700 -0.021 0.000 2.223 434 N HA -0.230 4.510 4.740 0.000 0.000 0.185 434 N C 1.802 177.303 175.510 -0.016 0.000 1.016 434 N CA 1.447 54.481 53.050 -0.028 0.000 0.863 434 N CB -0.043 38.430 38.487 -0.024 0.000 0.983 434 N HN 0.589 nan 8.380 nan 0.000 0.429 435 E N 0.332 120.531 120.200 -0.002 0.000 2.072 435 E HA -0.095 4.255 4.350 0.000 0.000 0.191 435 E C 1.966 178.576 176.600 0.017 0.000 0.985 435 E CA 1.059 57.464 56.400 0.007 0.000 0.801 435 E CB -0.194 29.514 29.700 0.014 0.000 0.750 435 E HN 0.311 nan 8.360 nan 0.000 0.452 436 G N 1.265 110.080 108.800 0.026 0.000 2.446 436 G HA2 -0.255 3.705 3.960 0.000 0.000 0.217 436 G HA3 -0.255 3.705 3.960 0.000 0.000 0.217 436 G C 1.562 176.495 174.900 0.054 0.000 1.168 436 G CA 0.827 45.958 45.100 0.052 0.000 0.771 436 G HN 0.211 nan 8.290 nan 0.000 0.551 437 L N 0.375 121.602 121.223 0.007 0.000 2.093 437 L HA -0.033 4.307 4.340 0.000 0.000 0.208 437 L C 2.497 179.360 176.870 -0.011 0.000 1.085 437 L CA 0.945 55.767 54.840 -0.031 0.000 0.755 437 L CB -0.369 41.618 42.059 -0.119 0.000 0.904 437 L HN 0.074 nan 8.230 nan 0.000 0.435 438 D N -0.109 120.287 120.400 -0.007 0.000 2.123 438 D HA -0.164 4.477 4.640 0.000 0.000 0.196 438 D C 2.334 178.640 176.300 0.009 0.000 0.992 438 D CA 1.204 55.202 54.000 -0.002 0.000 0.833 438 D CB -0.242 40.557 40.800 -0.002 0.000 0.954 438 D HN 0.095 nan 8.370 nan 0.000 0.455 439 V N 1.273 121.199 119.914 0.020 0.000 2.295 439 V HA -0.209 3.912 4.120 0.000 0.000 0.246 439 V C 2.601 178.710 176.094 0.026 0.000 1.049 439 V CA 0.982 63.296 62.300 0.023 0.000 1.024 439 V CB -0.346 31.496 31.823 0.032 0.000 0.648 439 V HN 0.245 nan 8.190 nan 0.000 0.447 440 L N -0.030 121.222 121.223 0.048 0.000 2.042 440 L HA -0.205 4.135 4.340 0.000 0.000 0.210 440 L C 2.601 179.490 176.870 0.032 0.000 1.076 440 L CA 2.113 56.989 54.840 0.059 0.000 0.749 440 L CB -1.252 40.891 42.059 0.140 0.000 0.893 440 L HN 0.512 nan 8.230 nan 0.000 0.432 441 E N -0.309 119.902 120.200 0.019 0.000 2.077 441 E HA -0.233 4.117 4.350 0.000 0.000 0.193 441 E C 1.974 178.575 176.600 0.002 0.000 0.989 441 E CA 1.177 57.580 56.400 0.006 0.000 0.800 441 E CB -0.030 29.667 29.700 -0.005 0.000 0.746 441 E HN 0.576 nan 8.360 nan 0.000 0.452 442 E N 0.442 120.644 120.200 0.002 0.000 2.077 442 E HA -0.160 4.190 4.350 0.000 0.000 0.193 442 E C 2.231 178.829 176.600 -0.003 0.000 0.989 442 E CA 1.173 57.572 56.400 -0.001 0.000 0.800 442 E CB 0.033 29.734 29.700 0.000 0.000 0.746 442 E HN 0.059 nan 8.360 nan 0.000 0.452 443 V N 1.240 121.152 119.914 -0.004 0.000 2.358 443 V HA -0.220 3.900 4.120 0.000 0.000 0.246 443 V C 2.250 178.337 176.094 -0.013 0.000 1.047 443 V CA 1.237 63.530 62.300 -0.012 0.000 1.035 443 V CB -0.350 31.460 31.823 -0.021 0.000 0.658 443 V HN 0.216 nan 8.190 nan 0.000 0.452 444 L N 0.140 121.359 121.223 -0.007 0.000 2.083 444 L HA -0.103 4.237 4.340 0.000 0.000 0.209 444 L C 2.549 179.415 176.870 -0.007 0.000 1.083 444 L CA 1.836 56.672 54.840 -0.006 0.000 0.752 444 L CB -0.722 41.338 42.059 0.002 0.000 0.899 444 L HN 0.162 nan 8.230 nan 0.000 0.433 445 R N -0.474 120.023 120.500 -0.005 0.000 2.127 445 R HA -0.034 4.307 4.340 0.000 0.000 0.238 445 R C 1.087 177.382 176.300 -0.007 0.000 1.134 445 R CA 0.822 56.919 56.100 -0.006 0.000 0.975 445 R CB -0.537 29.760 30.300 -0.005 0.000 0.865 445 R HN 0.530 nan 8.270 nan 0.000 0.447 446 G N 0.000 108.795 108.800 -0.008 0.000 5.446 446 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 446 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 446 G CA 0.000 45.094 45.100 -0.009 0.000 0.502 446 G HN 0.000 nan 8.290 nan 0.000 0.925