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 1h4v_1_B DATA FIRST_RESID 2 DATA SEQUENCE TARAVRGTKD LFGKELRMHQ RIVATARKVL EAAGALELVT PIFEETQVFE DATA SEQUENCE KGVGAXXXXX XKEMFTFQDR GGRSLTLRPE GTAAMVRAYL EHGMKVWPQP DATA SEQUENCE VRLWMAGPMF RAERPXXXXY RQFHQVNYEA LGSENPILDA EAVVLLYECL DATA SEQUENCE KELGLRRLKV KLSSVGDPED RARYNAYLRE VLSPHREALS EDSKERLEEN DATA SEQUENCE PMRILDSKSE RDQALLKELG VRPMLDFLGE EARAHLKEVE RHLERLSVPY DATA SEQUENCE ELEPALVRGL DYYVRTAFEV HHXXXXXXSA LGGGGRYDGL SELLGGPRVP DATA SEQUENCE GVGFAFGVER VALALEAEGF GLPEEKGPDL YLIPLTEEAV AEAFYLAEAL DATA SEQUENCE RPRLRAEYAL APRKPAKGLE EALKRGAAFA GFLGEDELRA GEVTLKRLAT DATA SEQUENCE GEQVRLSREE VPGYLLQALG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.706 174.700 0.010 0.000 1.109 2 T CA 0.000 62.105 62.100 0.008 0.000 1.349 2 T CB 0.000 68.871 68.868 0.005 0.000 0.612 3 A N 3.483 126.308 122.820 0.009 0.000 2.546 3 A HA 0.527 4.308 4.320 -0.898 0.000 0.243 3 A C 0.298 177.892 177.584 0.017 0.000 1.063 3 A CA 0.527 52.570 52.037 0.011 0.000 0.757 3 A CB 0.065 19.069 19.000 0.007 0.000 0.991 3 A HN 0.334 nan 8.150 nan 0.000 0.503 4 R N 1.058 121.572 120.500 0.023 0.000 2.902 4 R HA 0.667 4.469 4.340 -0.898 0.000 0.258 4 R C 0.156 176.479 176.300 0.038 0.000 1.071 4 R CA -0.419 55.700 56.100 0.033 0.000 1.024 4 R CB 1.165 31.487 30.300 0.036 0.000 1.184 4 R HN 0.855 nan 8.270 nan 0.000 0.492 5 A N 1.250 124.101 122.820 0.051 0.000 2.520 5 A HA 0.199 3.981 4.320 -0.898 0.000 0.245 5 A C 0.359 177.981 177.584 0.063 0.000 1.072 5 A CA -0.296 51.777 52.037 0.061 0.000 0.761 5 A CB -0.012 19.038 19.000 0.083 0.000 1.004 5 A HN 0.406 nan 8.150 nan 0.000 0.499 6 V N 4.078 124.027 119.914 0.059 0.000 2.814 6 V HA -0.057 3.525 4.120 -0.898 0.000 0.307 6 V C 1.221 177.369 176.094 0.090 0.000 1.089 6 V CA 0.299 62.639 62.300 0.066 0.000 1.212 6 V CB -0.136 31.722 31.823 0.058 0.000 0.912 6 V HN 0.948 nan 8.190 nan 0.000 0.497 7 R N 3.047 123.599 120.500 0.086 0.000 2.585 7 R HA 0.321 4.122 4.340 -0.898 0.000 0.275 7 R C 1.339 177.715 176.300 0.128 0.000 1.018 7 R CA 0.802 56.956 56.100 0.090 0.000 1.072 7 R CB -0.130 30.212 30.300 0.070 0.000 0.953 7 R HN 1.183 nan 8.270 nan 0.000 0.419 8 G N 1.119 109.998 108.800 0.132 0.000 2.176 8 G HA2 -0.283 3.139 3.960 -0.898 0.000 0.232 8 G HA3 -0.283 3.139 3.960 -0.898 0.000 0.232 8 G C 0.161 175.242 174.900 0.301 0.000 0.986 8 G CA 0.279 45.498 45.100 0.199 0.000 0.643 8 G HN 0.798 nan 8.290 nan 0.000 0.522 9 T N -1.958 112.739 114.554 0.237 0.000 2.901 9 T HA 0.813 4.625 4.350 -0.898 0.000 0.293 9 T C -0.750 174.075 174.700 0.207 0.000 1.084 9 T CA 0.203 62.443 62.100 0.233 0.000 1.008 9 T CB 2.814 71.784 68.868 0.169 0.000 1.170 9 T HN 1.330 nan 8.240 nan 0.000 0.509 10 K N 0.251 120.767 120.400 0.193 0.000 2.610 10 K HA 0.431 4.213 4.320 -0.898 0.000 0.278 10 K C -1.922 174.760 176.600 0.136 0.000 0.964 10 K CA -1.004 55.379 56.287 0.161 0.000 0.859 10 K CB 1.074 33.680 32.500 0.177 0.000 1.434 10 K HN 0.463 nan 8.250 nan 0.000 0.410 11 D N 1.804 122.290 120.400 0.144 0.000 2.341 11 D HA 0.257 4.358 4.640 -0.898 0.000 0.245 11 D C -0.355 176.024 176.300 0.132 0.000 1.106 11 D CA 0.029 54.133 54.000 0.173 0.000 0.905 11 D CB 1.036 41.993 40.800 0.262 0.000 1.202 11 D HN 0.342 nan 8.370 nan 0.000 0.426 12 L N 2.813 124.097 121.223 0.102 0.000 2.319 12 L HA 0.500 4.302 4.340 -0.898 0.000 0.281 12 L C -0.513 176.423 176.870 0.111 0.000 1.005 12 L CA -0.801 54.011 54.840 -0.046 0.000 0.828 12 L CB 0.413 42.358 42.059 -0.191 0.000 1.227 12 L HN 0.373 nan 8.230 nan 0.000 0.415 13 F N 0.709 120.618 119.950 -0.068 0.000 2.779 13 F HA 0.883 4.874 4.527 -0.894 0.000 0.316 13 F C 0.528 176.306 175.800 -0.036 0.000 1.164 13 F CA -0.269 57.706 58.000 -0.042 0.000 0.924 13 F CB 0.689 39.675 39.000 -0.024 0.000 1.348 13 F HN 0.628 nan 8.300 nan 0.000 0.467 14 G N 1.474 110.389 108.800 0.192 0.000 2.582 14 G HA2 -0.326 3.095 3.960 -0.898 0.000 0.288 14 G HA3 -0.326 3.095 3.960 -0.898 0.000 0.288 14 G C 0.564 175.439 174.900 -0.041 0.000 1.247 14 G CA 0.534 45.667 45.100 0.055 0.000 0.972 14 G HN 1.048 nan 8.290 nan 0.000 0.557 15 K N 0.427 120.785 120.400 -0.069 0.000 2.097 15 K HA -0.083 3.698 4.320 -0.898 0.000 0.206 15 K C 2.476 179.033 176.600 -0.071 0.000 1.049 15 K CA 1.809 58.066 56.287 -0.051 0.000 0.933 15 K CB -0.173 32.305 32.500 -0.038 0.000 0.717 15 K HN 0.601 nan 8.250 nan 0.000 0.442 16 E N 1.403 121.515 120.200 -0.147 0.000 2.058 16 E HA -0.196 3.615 4.350 -0.898 0.000 0.194 16 E C 1.963 178.441 176.600 -0.203 0.000 0.997 16 E CA 0.960 57.258 56.400 -0.169 0.000 0.801 16 E CB -0.099 29.445 29.700 -0.260 0.000 0.746 16 E HN 0.207 nan 8.360 nan 0.000 0.450 17 L N 0.330 121.436 121.223 -0.196 0.000 2.017 17 L HA -0.172 3.629 4.340 -0.898 0.000 0.208 17 L C 2.574 179.427 176.870 -0.029 0.000 1.073 17 L CA 1.569 56.322 54.840 -0.145 0.000 0.745 17 L CB -0.227 41.798 42.059 -0.056 0.000 0.894 17 L HN 0.198 nan 8.230 nan 0.000 0.432 18 R N -1.080 119.416 120.500 -0.007 0.000 2.096 18 R HA -0.227 3.574 4.340 -0.898 0.000 0.235 18 R C 2.096 178.427 176.300 0.052 0.000 1.127 18 R CA 1.635 57.752 56.100 0.028 0.000 0.968 18 R CB -0.291 30.024 30.300 0.024 0.000 0.861 18 R HN 0.273 nan 8.270 nan 0.000 0.440 19 M N -0.107 119.528 119.600 0.058 0.000 2.132 19 M HA -0.138 3.803 4.480 -0.898 0.000 0.263 19 M C 1.671 178.054 176.300 0.139 0.000 1.065 19 M CA 1.780 57.134 55.300 0.090 0.000 1.122 19 M CB -0.376 32.284 32.600 0.099 0.000 1.365 19 M HN 0.192 nan 8.290 nan 0.000 0.411 20 H N -0.949 118.104 119.070 -0.029 0.000 2.353 20 H HA -0.147 3.869 4.556 -0.901 0.000 0.300 20 H C 1.961 177.286 175.328 -0.005 0.000 1.090 20 H CA 1.667 57.693 56.048 -0.035 0.000 1.327 20 H CB 0.058 29.755 29.762 -0.108 0.000 1.383 20 H HN 0.563 nan 8.280 nan 0.000 0.508 21 Q N 0.274 120.152 119.800 0.130 0.000 2.167 21 Q HA -0.087 3.714 4.340 -0.898 0.000 0.202 21 Q C 2.351 178.396 176.000 0.074 0.000 0.970 21 Q CA 0.628 56.484 55.803 0.089 0.000 0.855 21 Q CB 0.089 28.868 28.738 0.069 0.000 0.911 21 Q HN 0.383 nan 8.270 nan 0.000 0.438 22 R N 0.409 120.947 120.500 0.064 0.000 2.066 22 R HA -0.059 3.742 4.340 -0.898 0.000 0.232 22 R C 2.291 178.613 176.300 0.037 0.000 1.131 22 R CA 1.065 57.192 56.100 0.045 0.000 0.955 22 R CB -0.275 30.049 30.300 0.040 0.000 0.851 22 R HN 0.280 nan 8.270 nan 0.000 0.432 23 I N 0.350 120.942 120.570 0.037 0.000 2.163 23 I HA -0.284 3.347 4.170 -0.898 0.000 0.243 23 I C 2.349 178.527 176.117 0.102 0.000 1.085 23 I CA 1.296 62.622 61.300 0.042 0.000 1.347 23 I CB -0.321 37.696 38.000 0.028 0.000 1.044 23 I HN -0.023 nan 8.210 nan 0.000 0.408 24 V N 0.943 120.922 119.914 0.108 0.000 2.358 24 V HA -0.254 3.327 4.120 -0.898 0.000 0.246 24 V C 2.696 178.844 176.094 0.092 0.000 1.047 24 V CA 1.875 64.259 62.300 0.139 0.000 1.035 24 V CB -0.887 31.034 31.823 0.164 0.000 0.658 24 V HN 0.495 nan 8.190 nan 0.000 0.452 25 A N -0.425 122.438 122.820 0.072 0.000 1.933 25 A HA -0.226 3.555 4.320 -0.898 0.000 0.218 25 A C 2.388 179.966 177.584 -0.010 0.000 1.175 25 A CA 2.492 54.555 52.037 0.043 0.000 0.628 25 A CB -0.853 18.174 19.000 0.046 0.000 0.814 25 A HN 0.502 nan 8.150 nan 0.000 0.444 26 T N 0.061 114.611 114.554 -0.007 0.000 2.777 26 T HA 0.041 3.852 4.350 -0.898 0.000 0.266 26 T C 2.257 176.915 174.700 -0.070 0.000 1.040 26 T CA 1.438 63.518 62.100 -0.035 0.000 1.141 26 T CB -0.405 68.444 68.868 -0.032 0.000 0.868 26 T HN 0.589 nan 8.240 nan 0.000 0.444 27 A N 1.817 124.612 122.820 -0.043 0.000 1.902 27 A HA -0.123 3.658 4.320 -0.898 0.000 0.217 27 A C 2.276 179.583 177.584 -0.462 0.000 1.181 27 A CA 1.878 53.850 52.037 -0.108 0.000 0.623 27 A CB -0.613 18.408 19.000 0.036 0.000 0.818 27 A HN 0.448 nan 8.150 nan 0.000 0.443 28 R N 0.020 120.192 120.500 -0.547 0.000 2.091 28 R HA -0.198 3.603 4.340 -0.898 0.000 0.238 28 R C 2.266 178.340 176.300 -0.376 0.000 1.136 28 R CA 2.061 57.728 56.100 -0.722 0.000 0.959 28 R CB -0.296 29.887 30.300 -0.195 0.000 0.856 28 R HN 0.558 nan 8.270 nan 0.000 0.437 29 K N 0.423 120.705 120.400 -0.198 0.000 2.026 29 K HA -0.121 3.661 4.320 -0.898 0.000 0.208 29 K C 2.065 178.588 176.600 -0.128 0.000 1.048 29 K CA 1.830 58.047 56.287 -0.116 0.000 0.929 29 K CB -0.138 32.322 32.500 -0.067 0.000 0.713 29 K HN 0.244 nan 8.250 nan 0.000 0.439 30 V N -0.585 119.243 119.914 -0.144 0.000 2.379 30 V HA -0.149 3.432 4.120 -0.898 0.000 0.245 30 V C 2.044 178.050 176.094 -0.147 0.000 1.044 30 V CA 1.088 63.317 62.300 -0.118 0.000 1.036 30 V CB -0.491 31.277 31.823 -0.092 0.000 0.664 30 V HN 0.133 nan 8.190 nan 0.000 0.453 31 L N 0.800 121.873 121.223 -0.250 0.000 2.093 31 L HA 0.027 3.828 4.340 -0.898 0.000 0.208 31 L C 2.702 179.480 176.870 -0.153 0.000 1.085 31 L CA 1.840 56.526 54.840 -0.258 0.000 0.755 31 L CB -1.250 40.530 42.059 -0.465 0.000 0.904 31 L HN 0.469 nan 8.230 nan 0.000 0.435 32 E N -0.988 119.102 120.200 -0.185 0.000 2.358 32 E HA -0.015 3.797 4.350 -0.898 0.000 0.195 32 E C 2.063 178.669 176.600 0.010 0.000 1.010 32 E CA 0.672 57.066 56.400 -0.010 0.000 0.856 32 E CB 0.029 29.753 29.700 0.040 0.000 0.795 32 E HN 0.441 nan 8.360 nan 0.000 0.504 33 A N 1.120 123.924 122.820 -0.027 0.000 2.067 33 A HA 0.132 3.913 4.320 -0.898 0.000 0.217 33 A C 2.104 179.690 177.584 0.004 0.000 1.156 33 A CA 1.001 53.032 52.037 -0.011 0.000 0.683 33 A CB 0.027 19.011 19.000 -0.027 0.000 0.808 33 A HN 0.202 nan 8.150 nan 0.000 0.455 34 A N -1.706 121.117 122.820 0.005 0.000 2.379 34 A HA 0.462 4.243 4.320 -0.898 0.000 0.236 34 A C 1.574 179.211 177.584 0.088 0.000 1.272 34 A CA 0.951 53.006 52.037 0.030 0.000 0.886 34 A CB -0.831 18.168 19.000 -0.002 0.000 0.962 34 A HN 1.703 nan 8.150 nan 0.000 0.504 35 G N -1.557 107.299 108.800 0.093 0.000 2.175 35 G HA2 0.049 3.471 3.960 -0.898 0.000 0.244 35 G HA3 0.049 3.471 3.960 -0.898 0.000 0.244 35 G C 0.553 175.568 174.900 0.192 0.000 0.982 35 G CA 0.177 45.352 45.100 0.124 0.000 0.641 35 G HN 1.662 nan 8.290 nan 0.000 0.527 36 A N -0.019 122.956 122.820 0.258 0.000 2.498 36 A HA 0.624 4.405 4.320 -0.898 0.000 0.239 36 A C 0.256 178.086 177.584 0.410 0.000 1.068 36 A CA 0.525 52.792 52.037 0.385 0.000 0.766 36 A CB 0.685 20.008 19.000 0.537 0.000 1.003 36 A HN 1.509 nan 8.150 nan 0.000 0.497 37 L N 1.542 122.974 121.223 0.348 0.000 2.307 37 L HA 0.411 4.212 4.340 -0.898 0.000 0.282 37 L C 0.362 177.312 176.870 0.134 0.000 1.051 37 L CA -0.225 54.763 54.840 0.246 0.000 0.804 37 L CB 1.315 43.482 42.059 0.180 0.000 1.197 37 L HN 0.811 nan 8.230 nan 0.000 0.431 38 E N 4.630 124.827 120.200 -0.005 0.000 2.316 38 E HA 0.297 4.108 4.350 -0.898 0.000 0.275 38 E C -1.498 174.891 176.600 -0.353 0.000 1.029 38 E CA -0.409 55.671 56.400 -0.533 0.000 0.871 38 E CB 0.789 30.214 29.700 -0.459 0.000 1.022 38 E HN 0.555 nan 8.360 nan 0.000 0.418 39 L N 5.547 126.505 121.223 -0.442 0.000 2.410 39 L HA 0.459 4.261 4.340 -0.898 0.000 0.270 39 L C -1.696 175.018 176.870 -0.260 0.000 0.983 39 L CA -0.825 53.866 54.840 -0.247 0.000 0.822 39 L CB 1.868 43.841 42.059 -0.143 0.000 1.285 39 L HN 0.370 nan 8.230 nan 0.000 0.409 40 V N 3.940 123.746 119.914 -0.180 0.000 2.378 40 V HA 0.460 4.041 4.120 -0.898 0.000 0.288 40 V C 0.580 176.619 176.094 -0.092 0.000 1.016 40 V CA -0.409 61.803 62.300 -0.146 0.000 0.840 40 V CB 1.786 33.532 31.823 -0.128 0.000 0.994 40 V HN 0.930 nan 8.190 nan 0.000 0.431 41 T N 3.702 118.213 114.554 -0.072 0.000 2.881 41 T HA 0.670 4.481 4.350 -0.898 0.000 0.278 41 T C -2.448 172.220 174.700 -0.052 0.000 0.982 41 T CA -1.910 60.165 62.100 -0.041 0.000 0.989 41 T CB 1.492 70.355 68.868 -0.009 0.000 1.058 41 T HN 0.398 nan 8.240 nan 0.000 0.529 42 P HA 0.266 nan 4.420 nan 0.000 0.272 42 P C 0.964 178.195 177.300 -0.114 0.000 1.230 42 P CA -0.677 62.331 63.100 -0.154 0.000 0.788 42 P CB 0.328 31.889 31.700 -0.233 0.000 0.949 43 I N 0.337 120.790 120.570 -0.196 0.000 2.394 43 I HA -0.087 3.544 4.170 -0.898 0.000 0.251 43 I C 1.026 177.180 176.117 0.062 0.000 1.136 43 I CA 1.542 62.818 61.300 -0.041 0.000 1.425 43 I CB -1.095 36.869 38.000 -0.059 0.000 1.079 43 I HN 0.310 nan 8.210 nan 0.000 0.425 44 F N 0.064 120.072 119.950 0.096 0.000 2.603 44 F HA 0.818 4.806 4.527 -0.898 0.000 0.317 44 F C -0.353 175.511 175.800 0.107 0.000 1.066 44 F CA -1.464 56.604 58.000 0.113 0.000 0.941 44 F CB 1.161 40.220 39.000 0.097 0.000 1.291 44 F HN -0.127 nan 8.300 nan 0.000 0.472 45 E N -0.374 120.104 120.200 0.462 0.000 2.460 45 E HA 0.216 4.027 4.350 -0.898 0.000 0.277 45 E C -1.509 175.156 176.600 0.109 0.000 1.010 45 E CA -1.123 55.420 56.400 0.239 0.000 0.838 45 E CB 2.192 31.936 29.700 0.072 0.000 1.448 45 E HN 0.690 nan 8.360 nan 0.000 0.462 46 E N 0.788 120.982 120.200 -0.010 0.000 2.415 46 E HA 0.017 3.829 4.350 -0.898 0.000 0.263 46 E C 0.494 177.058 176.600 -0.061 0.000 0.995 46 E CA 0.250 56.613 56.400 -0.062 0.000 0.915 46 E CB 0.614 30.265 29.700 -0.083 0.000 0.951 46 E HN 0.396 nan 8.360 nan 0.000 0.449 47 T N 3.156 117.688 114.554 -0.037 0.000 2.721 47 T HA -0.282 3.530 4.350 -0.898 0.000 0.268 47 T C 1.773 176.474 174.700 0.001 0.000 1.038 47 T CA 1.960 64.075 62.100 0.025 0.000 1.145 47 T CB -0.137 68.725 68.868 -0.009 0.000 0.858 47 T HN 0.620 nan 8.240 nan 0.000 0.459 48 Q N 0.748 120.513 119.800 -0.058 0.000 2.291 48 Q HA -0.054 3.747 4.340 -0.898 0.000 0.206 48 Q C 2.126 178.037 176.000 -0.147 0.000 0.976 48 Q CA 1.113 56.871 55.803 -0.075 0.000 0.875 48 Q CB -0.729 27.963 28.738 -0.078 0.000 0.927 48 Q HN 0.354 nan 8.270 nan 0.000 0.450 49 V N 0.330 120.078 119.914 -0.277 0.000 2.490 49 V HA -0.191 3.391 4.120 -0.898 0.000 0.250 49 V C 1.391 177.153 176.094 -0.553 0.000 1.061 49 V CA 1.634 63.629 62.300 -0.509 0.000 1.064 49 V CB -0.510 30.826 31.823 -0.812 0.000 0.670 49 V HN 0.391 nan 8.190 nan 0.000 0.461 50 F N -0.744 119.190 119.950 -0.027 0.000 2.695 50 F HA 0.261 4.250 4.527 -0.897 0.000 0.303 50 F C 1.069 176.874 175.800 0.008 0.000 1.091 50 F CA -0.326 57.669 58.000 -0.008 0.000 1.300 50 F CB 0.149 39.160 39.000 0.018 0.000 1.071 50 F HN 0.137 nan 8.300 nan 0.000 0.578 51 E N 1.517 121.782 120.200 0.108 0.000 2.338 51 E HA 0.072 3.883 4.350 -0.898 0.000 0.272 51 E C 0.614 177.267 176.600 0.087 0.000 1.029 51 E CA -0.271 56.182 56.400 0.088 0.000 0.872 51 E CB 0.749 30.474 29.700 0.042 0.000 1.015 51 E HN 0.027 nan 8.360 nan 0.000 0.417 52 K N 1.538 122.012 120.400 0.124 0.000 2.393 52 K HA 0.176 3.957 4.320 -0.898 0.000 0.193 52 K C 0.620 177.309 176.600 0.149 0.000 1.026 52 K CA 0.183 56.581 56.287 0.184 0.000 1.064 52 K CB 0.702 33.327 32.500 0.208 0.000 0.833 52 K HN 0.738 nan 8.250 nan 0.000 0.521 53 G N -0.150 108.702 108.800 0.087 0.000 2.347 53 G HA2 -0.090 3.331 3.960 -0.898 0.000 0.477 53 G HA3 -0.090 3.331 3.960 -0.898 0.000 0.477 53 G C -1.381 173.546 174.900 0.046 0.000 1.349 53 G CA -0.970 44.169 45.100 0.065 0.000 1.000 53 G HN -0.153 nan 8.290 nan 0.000 0.605 54 V N 1.025 120.960 119.914 0.034 0.000 2.427 54 V HA 0.642 4.223 4.120 -0.898 0.000 0.268 54 V C 1.026 177.134 176.094 0.024 0.000 1.046 54 V CA 1.094 63.409 62.300 0.024 0.000 0.970 54 V CB 0.487 32.320 31.823 0.017 0.000 1.001 54 V HN 2.153 nan 8.190 nan 0.000 0.476 55 G N 3.682 112.495 108.800 0.022 0.000 1.788 55 G HA2 0.557 3.979 3.960 -0.898 0.000 0.267 55 G HA3 0.557 3.979 3.960 -0.898 0.000 0.267 55 G C -0.354 174.557 174.900 0.018 0.000 1.786 55 G CA -0.056 45.056 45.100 0.019 0.000 0.915 55 G HN 1.015 nan 8.290 nan 0.000 0.625 64 E N 1.500 121.657 120.200 -0.072 0.000 2.335 64 E HA 0.297 4.108 4.350 -0.898 0.000 0.191 64 E C -0.581 175.943 176.600 -0.126 0.000 1.077 64 E CA 0.163 56.502 56.400 -0.100 0.000 1.010 64 E CB 0.213 29.889 29.700 -0.040 0.000 1.141 64 E HN 0.291 nan 8.360 nan 0.000 0.452 65 M N 0.372 119.884 119.600 -0.146 0.000 2.386 65 M HA 0.310 4.251 4.480 -0.898 0.000 0.293 65 M C -1.025 175.211 176.300 -0.107 0.000 1.120 65 M CA -0.697 54.548 55.300 -0.092 0.000 0.909 65 M CB 2.114 34.716 32.600 0.004 0.000 1.661 65 M HN -0.073 nan 8.290 nan 0.000 0.452 66 F N 1.720 121.725 119.950 0.093 0.000 2.462 66 F HA 0.297 4.284 4.527 -0.899 0.000 0.360 66 F C 0.519 176.408 175.800 0.148 0.000 1.134 66 F CA 0.179 58.247 58.000 0.113 0.000 1.148 66 F CB 0.469 39.524 39.000 0.092 0.000 1.147 66 F HN 0.364 nan 8.300 nan 0.000 0.550 67 T N 4.796 119.521 114.554 0.285 0.000 2.908 67 T HA 0.786 4.597 4.350 -0.898 0.000 0.290 67 T C -0.898 173.960 174.700 0.263 0.000 1.034 67 T CA -0.546 61.648 62.100 0.156 0.000 1.010 67 T CB 1.716 70.618 68.868 0.057 0.000 1.068 67 T HN 0.403 nan 8.240 nan 0.000 0.481 68 F N -0.900 119.045 119.950 -0.009 0.000 2.799 68 F HA 0.542 4.530 4.527 -0.898 0.000 0.316 68 F C -1.676 174.081 175.800 -0.072 0.000 1.155 68 F CA -1.411 56.565 58.000 -0.040 0.000 0.916 68 F CB 1.246 40.211 39.000 -0.059 0.000 1.294 68 F HN 0.562 nan 8.300 nan 0.000 0.447 69 Q N 1.050 120.890 119.800 0.065 0.000 2.309 69 Q HA 0.579 4.381 4.340 -0.898 0.000 0.264 69 Q C -1.514 174.527 176.000 0.069 0.000 1.008 69 Q CA -0.867 54.910 55.803 -0.045 0.000 0.853 69 Q CB 2.727 31.447 28.738 -0.030 0.000 1.314 69 Q HN 0.736 nan 8.270 nan 0.000 0.448 70 D N 1.010 121.404 120.400 -0.010 0.000 2.478 70 D HA 0.137 4.239 4.640 -0.898 0.000 0.274 70 D C -0.555 175.751 176.300 0.009 0.000 1.234 70 D CA -0.762 53.255 54.000 0.028 0.000 1.069 70 D CB 0.562 41.347 40.800 -0.024 0.000 1.113 70 D HN 0.444 nan 8.370 nan 0.000 0.571 71 R N -0.634 119.871 120.500 0.009 0.000 2.413 71 R HA 0.428 4.229 4.340 -0.898 0.000 0.333 71 R C 0.561 176.859 176.300 -0.002 0.000 1.074 71 R CA 0.583 56.685 56.100 0.004 0.000 0.982 71 R CB -0.175 30.128 30.300 0.005 0.000 0.981 71 R HN 0.764 nan 8.270 nan 0.000 0.452 72 G N 0.539 109.336 108.800 -0.006 0.000 2.935 72 G HA2 -0.066 3.355 3.960 -0.898 0.000 0.213 72 G HA3 -0.066 3.355 3.960 -0.898 0.000 0.213 72 G C 0.749 175.640 174.900 -0.016 0.000 0.984 72 G CA -0.153 44.941 45.100 -0.011 0.000 0.790 72 G HN 0.877 nan 8.290 nan 0.000 0.538 73 G N -0.256 108.533 108.800 -0.018 0.000 2.253 73 G HA2 -0.250 3.171 3.960 -0.898 0.000 0.251 73 G HA3 -0.250 3.171 3.960 -0.898 0.000 0.251 73 G C 0.471 175.346 174.900 -0.041 0.000 0.998 73 G CA 1.006 46.092 45.100 -0.023 0.000 0.621 73 G HN 0.979 nan 8.290 nan 0.000 0.524 74 R N 1.498 121.967 120.500 -0.052 0.000 2.538 74 R HA 0.432 4.233 4.340 -0.898 0.000 0.282 74 R C 0.838 177.066 176.300 -0.119 0.000 1.009 74 R CA 0.960 57.016 56.100 -0.074 0.000 1.063 74 R CB 0.404 30.662 30.300 -0.071 0.000 0.945 74 R HN 0.263 nan 8.270 nan 0.000 0.414 75 S N 3.590 119.219 115.700 -0.118 0.000 2.505 75 S HA 0.336 4.267 4.470 -0.898 0.000 0.276 75 S C -0.848 173.605 174.600 -0.245 0.000 1.274 75 S CA -0.528 57.575 58.200 -0.161 0.000 1.053 75 S CB 0.186 63.326 63.200 -0.099 0.000 0.919 75 S HN 0.320 nan 8.310 nan 0.000 0.490 76 L N 4.401 125.343 121.223 -0.468 0.000 2.362 76 L HA 0.621 4.422 4.340 -0.898 0.000 0.271 76 L C -0.010 176.483 176.870 -0.629 0.000 1.002 76 L CA -0.037 54.426 54.840 -0.627 0.000 0.818 76 L CB 2.321 43.712 42.059 -1.112 0.000 1.298 76 L HN 0.644 nan 8.230 nan 0.000 0.420 77 T N 2.929 117.354 114.554 -0.215 0.000 2.886 77 T HA 0.501 4.312 4.350 -0.898 0.000 0.292 77 T C -0.831 173.991 174.700 0.203 0.000 1.012 77 T CA -0.524 61.590 62.100 0.024 0.000 0.982 77 T CB 1.473 70.449 68.868 0.179 0.000 1.018 77 T HN 0.142 nan 8.240 nan 0.000 0.451 78 L N 3.262 124.620 121.223 0.226 0.000 2.462 78 L HA 0.287 4.088 4.340 -0.898 0.000 0.272 78 L C 1.171 178.119 176.870 0.129 0.000 1.166 78 L CA 0.136 55.081 54.840 0.176 0.000 0.880 78 L CB 0.064 42.107 42.059 -0.027 0.000 1.142 78 L HN 0.523 nan 8.230 nan 0.000 0.473 79 R N 7.130 127.713 120.500 0.139 0.000 2.549 79 R HA -0.052 3.749 4.340 -0.898 0.000 0.336 79 R C -1.735 174.440 176.300 -0.209 0.000 0.891 79 R CA -0.384 55.617 56.100 -0.165 0.000 1.102 79 R CB 0.457 30.792 30.300 0.058 0.000 0.899 79 R HN 0.449 nan 8.270 nan 0.000 0.407 80 P HA 0.045 nan 4.420 nan 0.000 0.252 80 P C -0.871 176.314 177.300 -0.192 0.000 1.211 80 P CA 0.547 63.487 63.100 -0.266 0.000 0.824 80 P CB 0.503 32.053 31.700 -0.250 0.000 1.077 81 E N -2.380 117.663 120.200 -0.262 0.000 2.445 81 E HA 0.564 4.375 4.350 -0.898 0.000 0.279 81 E C 0.179 176.775 176.600 -0.006 0.000 1.018 81 E CA -0.927 55.439 56.400 -0.057 0.000 0.816 81 E CB 0.344 30.070 29.700 0.043 0.000 1.356 81 E HN -0.206 nan 8.360 nan 0.000 0.462 82 G N -0.066 108.744 108.800 0.016 0.000 2.651 82 G HA2 -0.038 3.383 3.960 -0.898 0.000 0.207 82 G HA3 -0.038 3.383 3.960 -0.898 0.000 0.207 82 G C 1.026 175.931 174.900 0.009 0.000 1.131 82 G CA 0.899 46.008 45.100 0.015 0.000 0.816 82 G HN 0.480 nan 8.290 nan 0.000 0.534 83 T N 2.265 116.796 114.554 -0.038 0.000 2.607 83 T HA -0.158 3.653 4.350 -0.898 0.000 0.267 83 T C 2.799 177.398 174.700 -0.168 0.000 1.049 83 T CA 1.916 63.919 62.100 -0.163 0.000 1.162 83 T CB -0.513 68.159 68.868 -0.327 0.000 0.863 83 T HN 0.336 nan 8.240 nan 0.000 0.424 84 A N 1.441 124.203 122.820 -0.097 0.000 1.940 84 A HA 0.100 3.881 4.320 -0.898 0.000 0.219 84 A C 2.656 180.155 177.584 -0.142 0.000 1.176 84 A CA 2.001 53.949 52.037 -0.148 0.000 0.631 84 A CB -1.135 17.808 19.000 -0.095 0.000 0.814 84 A HN 0.548 nan 8.150 nan 0.000 0.446 85 A N -0.697 122.119 122.820 -0.007 0.000 1.930 85 A HA -0.083 3.698 4.320 -0.898 0.000 0.217 85 A C 2.238 179.797 177.584 -0.042 0.000 1.175 85 A CA 1.786 53.810 52.037 -0.022 0.000 0.627 85 A CB -0.493 18.588 19.000 0.136 0.000 0.815 85 A HN 0.541 nan 8.150 nan 0.000 0.443 86 M N -0.917 118.658 119.600 -0.042 0.000 2.156 86 M HA -0.093 3.848 4.480 -0.898 0.000 0.264 86 M C 2.053 178.334 176.300 -0.032 0.000 1.067 86 M CA 1.169 56.446 55.300 -0.038 0.000 1.131 86 M CB -0.349 32.218 32.600 -0.054 0.000 1.368 86 M HN 0.216 nan 8.290 nan 0.000 0.416 87 V N 0.232 120.097 119.914 -0.082 0.000 2.343 87 V HA -0.237 3.344 4.120 -0.898 0.000 0.247 87 V C 2.542 178.609 176.094 -0.044 0.000 1.051 87 V CA 1.572 63.821 62.300 -0.084 0.000 1.036 87 V CB -0.844 30.889 31.823 -0.150 0.000 0.654 87 V HN 0.457 nan 8.190 nan 0.000 0.451 88 R N 0.518 120.961 120.500 -0.094 0.000 2.120 88 R HA -0.107 3.694 4.340 -0.898 0.000 0.234 88 R C 2.129 178.384 176.300 -0.075 0.000 1.123 88 R CA 1.782 57.816 56.100 -0.109 0.000 0.975 88 R CB -0.491 29.708 30.300 -0.169 0.000 0.866 88 R HN 0.498 nan 8.270 nan 0.000 0.446 89 A N -0.451 122.356 122.820 -0.022 0.000 1.930 89 A HA -0.159 3.622 4.320 -0.898 0.000 0.215 89 A C 2.048 179.665 177.584 0.055 0.000 1.176 89 A CA 0.905 52.967 52.037 0.042 0.000 0.632 89 A CB -0.770 18.283 19.000 0.089 0.000 0.819 89 A HN 0.501 nan 8.150 nan 0.000 0.445 90 Y N 0.060 120.294 120.300 -0.110 0.000 2.207 90 Y HA -0.206 3.805 4.550 -0.898 0.000 0.287 90 Y C 1.875 177.650 175.900 -0.209 0.000 1.156 90 Y CA 1.675 59.665 58.100 -0.184 0.000 1.182 90 Y CB -0.107 38.260 38.460 -0.155 0.000 0.979 90 Y HN 0.211 nan 8.280 nan 0.000 0.521 91 L N 0.761 121.997 121.223 0.023 0.000 2.023 91 L HA -0.159 3.642 4.340 -0.898 0.000 0.205 91 L C 2.506 179.253 176.870 -0.205 0.000 1.073 91 L CA 2.085 56.878 54.840 -0.079 0.000 0.745 91 L CB -1.438 40.596 42.059 -0.043 0.000 0.900 91 L HN 0.352 nan 8.230 nan 0.000 0.435 92 E N -1.164 118.885 120.200 -0.251 0.000 2.118 92 E HA -0.230 3.582 4.350 -0.898 0.000 0.195 92 E C 1.329 177.610 176.600 -0.531 0.000 0.992 92 E CA 1.111 57.271 56.400 -0.401 0.000 0.804 92 E CB 0.062 29.456 29.700 -0.510 0.000 0.741 92 E HN 0.569 nan 8.360 nan 0.000 0.458 93 H N -1.210 117.737 119.070 -0.205 0.000 2.517 93 H HA 0.184 4.201 4.556 -0.898 0.000 0.282 93 H C 0.804 175.928 175.328 -0.340 0.000 1.023 93 H CA 0.622 56.536 56.048 -0.223 0.000 1.169 93 H CB 0.633 30.276 29.762 -0.199 0.000 1.454 93 H HN 0.320 nan 8.280 nan 0.000 0.556 94 G N 1.951 110.550 108.800 -0.334 0.000 2.366 94 G HA2 -0.330 3.091 3.960 -0.898 0.000 0.299 94 G HA3 -0.330 3.091 3.960 -0.898 0.000 0.299 94 G C 1.065 175.544 174.900 -0.702 0.000 1.020 94 G CA 0.534 45.399 45.100 -0.392 0.000 1.026 94 G HN 0.406 nan 8.290 nan 0.000 0.512 95 M N -0.595 118.310 119.600 -1.158 0.000 2.630 95 M HA -0.023 3.919 4.480 -0.898 0.000 0.254 95 M C 2.553 178.128 176.300 -1.208 0.000 1.092 95 M CA 1.801 56.028 55.300 -1.788 0.000 1.087 95 M CB -0.228 31.274 32.600 -1.830 0.000 1.453 95 M HN 0.622 nan 8.290 nan 0.000 0.509 96 K N -0.077 119.756 120.400 -0.946 0.000 2.280 96 K HA -0.060 3.721 4.320 -0.898 0.000 0.202 96 K C 1.330 177.841 176.600 -0.149 0.000 1.047 96 K CA 1.165 57.232 56.287 -0.367 0.000 0.942 96 K CB -0.410 31.985 32.500 -0.175 0.000 0.739 96 K HN 0.156 nan 8.250 nan 0.000 0.457 97 V N 0.591 120.403 119.914 -0.171 0.000 3.129 97 V HA -0.038 3.543 4.120 -0.898 0.000 0.259 97 V C 0.685 176.907 176.094 0.212 0.000 1.116 97 V CA 0.278 62.594 62.300 0.027 0.000 1.127 97 V CB -0.575 31.277 31.823 0.049 0.000 0.742 97 V HN 0.322 nan 8.190 nan 0.000 0.474 98 W N 1.176 122.441 121.300 -0.058 0.000 2.049 98 W HA 0.309 4.430 4.660 -0.899 0.000 0.356 98 W C -1.979 174.546 176.519 0.010 0.000 1.323 98 W CA -2.897 54.435 57.345 -0.023 0.000 1.336 98 W CB -1.063 28.382 29.460 -0.025 0.000 1.176 98 W HN -0.018 nan 8.180 nan 0.000 0.623 99 P HA -0.014 nan 4.420 nan 0.000 0.271 99 P C -0.445 176.968 177.300 0.188 0.000 1.220 99 P CA 0.262 63.457 63.100 0.158 0.000 0.768 99 P CB 0.833 32.589 31.700 0.094 0.000 0.848 100 Q N 3.510 123.401 119.800 0.151 0.000 2.222 100 Q HA 0.431 4.232 4.340 -0.898 0.000 0.252 100 Q C -1.623 174.444 176.000 0.112 0.000 0.926 100 Q CA -1.617 54.276 55.803 0.150 0.000 0.899 100 Q CB 0.455 29.273 28.738 0.132 0.000 1.250 100 Q HN 0.482 nan 8.270 nan 0.000 0.441 101 P HA 0.278 nan 4.420 nan 0.000 0.278 101 P C -0.750 176.653 177.300 0.173 0.000 1.258 101 P CA -0.489 62.684 63.100 0.123 0.000 0.811 101 P CB 0.893 32.640 31.700 0.078 0.000 1.063 102 V N 2.665 122.707 119.914 0.213 0.000 2.383 102 V HA 0.301 3.883 4.120 -0.898 0.000 0.275 102 V C 0.841 177.037 176.094 0.169 0.000 1.036 102 V CA -0.532 61.937 62.300 0.281 0.000 0.889 102 V CB 0.540 32.616 31.823 0.422 0.000 0.985 102 V HN 0.467 nan 8.190 nan 0.000 0.459 103 R N 5.394 125.998 120.500 0.174 0.000 2.294 103 R HA 0.755 4.556 4.340 -0.898 0.000 0.319 103 R C -1.146 175.239 176.300 0.141 0.000 0.984 103 R CA -0.468 55.696 56.100 0.106 0.000 0.861 103 R CB 1.283 31.721 30.300 0.231 0.000 1.104 103 R HN 0.582 nan 8.270 nan 0.000 0.451 104 L N 3.154 124.387 121.223 0.016 0.000 2.371 104 L HA 0.665 4.466 4.340 -0.898 0.000 0.262 104 L C -0.695 176.263 176.870 0.146 0.000 1.006 104 L CA -0.983 53.912 54.840 0.092 0.000 0.818 104 L CB 1.851 43.928 42.059 0.030 0.000 1.354 104 L HN 0.650 nan 8.230 nan 0.000 0.415 105 W N 2.645 123.959 121.300 0.023 0.000 3.083 105 W HA 0.826 4.949 4.660 -0.895 0.000 0.333 105 W C -1.908 174.611 176.519 0.000 0.000 1.217 105 W CA -1.010 56.349 57.345 0.024 0.000 1.170 105 W CB 1.979 31.510 29.460 0.118 0.000 1.437 105 W HN 0.614 nan 8.180 nan 0.000 0.557 106 M N 2.918 122.483 119.600 -0.059 0.000 2.534 106 M HA 0.648 4.589 4.480 -0.898 0.000 0.280 106 M C -2.048 174.219 176.300 -0.054 0.000 1.217 106 M CA -0.200 54.892 55.300 -0.347 0.000 0.893 106 M CB 2.238 34.702 32.600 -0.226 0.000 1.730 106 M HN 0.720 nan 8.290 nan 0.000 0.483 107 A N 2.194 124.947 122.820 -0.111 0.000 2.374 107 A HA 1.014 4.795 4.320 -0.898 0.000 0.305 107 A C -0.566 177.010 177.584 -0.013 0.000 1.053 107 A CA 0.084 52.146 52.037 0.041 0.000 0.726 107 A CB 1.687 20.817 19.000 0.217 0.000 1.229 107 A HN 1.343 nan 8.150 nan 0.000 0.431 108 G N 1.223 110.019 108.800 -0.006 0.000 2.349 108 G HA2 0.638 4.059 3.960 -0.898 0.000 0.294 108 G HA3 0.638 4.059 3.960 -0.898 0.000 0.294 108 G C -3.541 171.267 174.900 -0.152 0.000 1.380 108 G CA -0.594 44.498 45.100 -0.014 0.000 0.811 108 G HN 0.587 nan 8.290 nan 0.000 0.519 109 P HA 0.476 nan 4.420 nan 0.000 0.278 109 P C -0.776 175.969 177.300 -0.924 0.000 1.238 109 P CA -0.127 62.481 63.100 -0.819 0.000 0.794 109 P CB 1.294 32.571 31.700 -0.705 0.000 0.955 110 M N 1.685 120.431 119.600 -1.424 0.000 2.644 110 M HA 0.497 4.438 4.480 -0.898 0.000 0.304 110 M C -0.722 174.587 176.300 -1.651 0.000 1.215 110 M CA -0.583 53.913 55.300 -1.339 0.000 0.871 110 M CB 1.442 33.178 32.600 -1.440 0.000 1.740 110 M HN 0.208 nan 8.290 nan 0.000 0.464 111 F N 0.532 120.291 119.950 -0.318 0.000 2.518 111 F HA 0.627 4.617 4.527 -0.896 0.000 0.323 111 F C 0.007 175.952 175.800 0.241 0.000 1.129 111 F CA -0.658 57.376 58.000 0.055 0.000 0.920 111 F CB 1.731 40.819 39.000 0.148 0.000 1.160 111 F HN 0.442 nan 8.300 nan 0.000 0.440 112 R N 1.811 122.625 120.500 0.523 0.000 2.513 112 R HA 0.807 4.609 4.340 -0.898 0.000 0.301 112 R C -1.120 175.274 176.300 0.157 0.000 0.968 112 R CA -0.741 55.553 56.100 0.323 0.000 0.872 112 R CB 1.645 32.187 30.300 0.404 0.000 1.177 112 R HN 0.783 nan 8.270 nan 0.000 0.444 113 A N 5.074 127.736 122.820 -0.264 0.000 2.910 113 A HA 0.215 3.996 4.320 -0.898 0.000 0.316 113 A C -0.192 177.285 177.584 -0.177 0.000 1.493 113 A CA -0.563 51.139 52.037 -0.558 0.000 1.150 113 A CB -0.147 18.225 19.000 -1.047 0.000 1.159 113 A HN 0.838 nan 8.150 nan 0.000 0.526 114 E N 1.352 121.543 120.200 -0.015 0.000 2.254 114 E HA 0.556 4.367 4.350 -0.898 0.000 0.258 114 E C -0.592 176.028 176.600 0.034 0.000 1.033 114 E CA -1.127 55.280 56.400 0.011 0.000 0.893 114 E CB 0.952 30.676 29.700 0.040 0.000 1.204 114 E HN 0.469 nan 8.360 nan 0.000 0.425 115 R N 1.513 122.028 120.500 0.026 0.000 2.442 115 R HA 0.207 4.008 4.340 -0.898 0.000 0.291 115 R C -1.697 174.632 176.300 0.049 0.000 1.069 115 R CA -1.228 54.892 56.100 0.034 0.000 1.022 115 R CB -0.115 30.197 30.300 0.020 0.000 0.976 115 R HN 0.519 nan 8.270 nan 0.000 0.443 122 R N 0.555 121.312 120.500 0.428 0.000 2.254 122 R HA 0.133 3.934 4.340 -0.898 0.000 0.193 122 R C -0.008 176.555 176.300 0.440 0.000 0.929 122 R CA 0.252 56.620 56.100 0.445 0.000 1.038 122 R CB 0.818 31.383 30.300 0.442 0.000 1.009 122 R HN 0.590 nan 8.270 nan 0.000 0.512 123 Q N 0.895 120.883 119.800 0.313 0.000 2.327 123 Q HA 0.316 4.117 4.340 -0.898 0.000 0.270 123 Q C -1.425 174.542 176.000 -0.054 0.000 1.022 123 Q CA -0.692 55.081 55.803 -0.049 0.000 0.773 123 Q CB 1.030 29.756 28.738 -0.019 0.000 1.251 123 Q HN 0.024 nan 8.270 nan 0.000 0.457 124 F N -0.155 119.559 119.950 -0.393 0.000 2.664 124 F HA 0.695 4.683 4.527 -0.899 0.000 0.329 124 F C -1.213 174.263 175.800 -0.539 0.000 1.090 124 F CA -1.217 56.567 58.000 -0.360 0.000 0.978 124 F CB 1.171 40.050 39.000 -0.202 0.000 1.378 124 F HN 0.420 nan 8.300 nan 0.000 0.495 125 H N -0.307 118.725 119.070 -0.063 0.000 2.572 125 H HA 0.589 4.607 4.556 -0.897 0.000 0.359 125 H C -1.178 174.140 175.328 -0.016 0.000 1.134 125 H CA -0.768 55.199 56.048 -0.135 0.000 1.187 125 H CB 1.946 31.657 29.762 -0.085 0.000 1.597 125 H HN 0.686 nan 8.280 nan 0.000 0.524 126 Q N 0.380 120.191 119.800 0.019 0.000 2.456 126 Q HA 0.709 4.511 4.340 -0.898 0.000 0.284 126 Q C -1.756 174.168 176.000 -0.127 0.000 1.061 126 Q CA -1.230 54.568 55.803 -0.008 0.000 0.799 126 Q CB 2.170 30.954 28.738 0.077 0.000 1.445 126 Q HN 0.332 nan 8.270 nan 0.000 0.411 127 V N 1.893 121.579 119.914 -0.380 0.000 2.435 127 V HA 0.431 4.012 4.120 -0.898 0.000 0.290 127 V C -0.887 175.048 176.094 -0.265 0.000 1.030 127 V CA -0.572 61.514 62.300 -0.357 0.000 0.881 127 V CB 1.385 32.771 31.823 -0.728 0.000 0.983 127 V HN 0.756 nan 8.190 nan 0.000 0.445 128 N N 2.710 121.367 118.700 -0.072 0.000 2.314 128 N HA 0.612 4.813 4.740 -0.898 0.000 0.304 128 N C -1.565 173.912 175.510 -0.055 0.000 1.073 128 N CA -0.542 52.453 53.050 -0.092 0.000 0.822 128 N CB 2.051 40.501 38.487 -0.061 0.000 1.280 128 N HN 0.707 nan 8.380 nan 0.000 0.489 129 Y N 0.769 120.802 120.300 -0.445 0.000 2.406 129 Y HA 0.612 4.625 4.550 -0.896 0.000 0.340 129 Y C -1.376 174.397 175.900 -0.211 0.000 0.975 129 Y CA -0.692 57.172 58.100 -0.392 0.000 1.056 129 Y CB 1.502 39.420 38.460 -0.902 0.000 1.210 129 Y HN 0.431 nan 8.280 nan 0.000 0.448 130 E N 3.621 123.328 120.200 -0.823 0.000 2.290 130 E HA 0.743 4.554 4.350 -0.898 0.000 0.274 130 E C -1.649 174.588 176.600 -0.604 0.000 0.889 130 E CA -0.591 55.498 56.400 -0.519 0.000 0.760 130 E CB 1.982 31.581 29.700 -0.168 0.000 1.206 130 E HN 0.703 nan 8.360 nan 0.000 0.419 131 A N 4.599 127.185 122.820 -0.391 0.000 2.293 131 A HA 0.658 4.439 4.320 -0.898 0.000 0.312 131 A C -1.053 176.449 177.584 -0.137 0.000 1.309 131 A CA -0.532 51.389 52.037 -0.193 0.000 0.839 131 A CB -0.024 18.955 19.000 -0.035 0.000 1.155 131 A HN 0.519 nan 8.150 nan 0.000 0.501 132 L N 1.729 122.865 121.223 -0.145 0.000 2.334 132 L HA 0.785 4.586 4.340 -0.898 0.000 0.276 132 L C 1.200 177.965 176.870 -0.175 0.000 1.014 132 L CA 0.029 54.708 54.840 -0.269 0.000 0.815 132 L CB 1.846 43.550 42.059 -0.593 0.000 1.268 132 L HN 1.041 nan 8.230 nan 0.000 0.428 133 G N 1.098 109.793 108.800 -0.175 0.000 2.211 133 G HA2 -0.211 3.211 3.960 -0.898 0.000 0.201 133 G HA3 -0.211 3.211 3.960 -0.898 0.000 0.201 133 G C 0.010 174.907 174.900 -0.004 0.000 0.997 133 G CA 0.101 45.181 45.100 -0.033 0.000 0.652 133 G HN 0.696 nan 8.290 nan 0.000 0.500 134 S N -0.836 114.849 115.700 -0.024 0.000 2.546 134 S HA 0.618 4.549 4.470 -0.898 0.000 0.274 134 S C 0.294 174.896 174.600 0.004 0.000 1.121 134 S CA 0.502 58.706 58.200 0.007 0.000 0.887 134 S CB 2.029 65.248 63.200 0.033 0.000 1.094 134 S HN 0.346 nan 8.310 nan 0.000 0.474 135 E N 2.533 122.752 120.200 0.032 0.000 2.472 135 E HA 0.194 4.006 4.350 -0.898 0.000 0.196 135 E C 0.315 177.017 176.600 0.170 0.000 1.033 135 E CA 0.040 56.478 56.400 0.065 0.000 0.886 135 E CB 0.070 29.797 29.700 0.044 0.000 0.944 135 E HN 0.588 nan 8.360 nan 0.000 0.492 136 N N 2.035 120.803 118.700 0.113 0.000 2.365 136 N HA -0.064 4.138 4.740 -0.898 0.000 0.265 136 N C -1.645 173.925 175.510 0.100 0.000 1.288 136 N CA -0.536 52.573 53.050 0.097 0.000 0.869 136 N CB 1.115 39.635 38.487 0.055 0.000 1.071 136 N HN 0.106 nan 8.380 nan 0.000 0.480 137 P HA -0.122 nan 4.420 nan 0.000 0.223 137 P C 1.577 178.888 177.300 0.018 0.000 1.144 137 P CA 0.871 63.868 63.100 -0.172 0.000 0.783 137 P CB 0.329 31.720 31.700 -0.514 0.000 0.771 138 I N -0.532 120.042 120.570 0.007 0.000 2.286 138 I HA -0.215 3.416 4.170 -0.898 0.000 0.248 138 I C 2.469 178.559 176.117 -0.045 0.000 1.115 138 I CA 1.160 62.382 61.300 -0.131 0.000 1.392 138 I CB -0.475 37.414 38.000 -0.185 0.000 1.065 138 I HN -0.120 nan 8.210 nan 0.000 0.418 139 L N 0.117 121.357 121.223 0.029 0.000 2.141 139 L HA -0.214 3.587 4.340 -0.898 0.000 0.209 139 L C 1.899 178.839 176.870 0.116 0.000 1.094 139 L CA 1.188 56.078 54.840 0.083 0.000 0.763 139 L CB -0.726 41.390 42.059 0.096 0.000 0.908 139 L HN 0.240 nan 8.230 nan 0.000 0.437 140 D N 0.537 121.001 120.400 0.107 0.000 2.097 140 D HA -0.130 3.971 4.640 -0.898 0.000 0.197 140 D C 2.298 178.590 176.300 -0.014 0.000 0.984 140 D CA 1.360 55.428 54.000 0.113 0.000 0.826 140 D CB -0.150 40.747 40.800 0.161 0.000 0.973 140 D HN 0.265 nan 8.370 nan 0.000 0.460 141 A N 0.646 123.449 122.820 -0.028 0.000 1.933 141 A HA -0.224 3.557 4.320 -0.898 0.000 0.218 141 A C 2.093 179.613 177.584 -0.107 0.000 1.175 141 A CA 1.736 53.716 52.037 -0.094 0.000 0.628 141 A CB -0.628 18.366 19.000 -0.011 0.000 0.814 141 A HN 0.278 nan 8.150 nan 0.000 0.444 142 E N -0.100 120.074 120.200 -0.043 0.000 2.072 142 E HA -0.091 3.720 4.350 -0.898 0.000 0.191 142 E C 2.125 178.734 176.600 0.015 0.000 0.985 142 E CA 0.983 57.374 56.400 -0.016 0.000 0.801 142 E CB -0.271 29.450 29.700 0.035 0.000 0.750 142 E HN 0.526 nan 8.360 nan 0.000 0.452 143 A N 0.535 123.429 122.820 0.123 0.000 1.883 143 A HA -0.164 3.617 4.320 -0.898 0.000 0.217 143 A C 2.411 180.004 177.584 0.015 0.000 1.186 143 A CA 1.630 53.862 52.037 0.325 0.000 0.624 143 A CB -0.792 18.532 19.000 0.540 0.000 0.822 143 A HN 0.232 nan 8.150 nan 0.000 0.444 144 V N -0.360 119.290 119.914 -0.440 0.000 2.261 144 V HA -0.239 3.342 4.120 -0.898 0.000 0.246 144 V C 2.594 178.499 176.094 -0.315 0.000 1.047 144 V CA 2.077 63.935 62.300 -0.735 0.000 1.015 144 V CB -0.853 30.501 31.823 -0.782 0.000 0.642 144 V HN 0.380 nan 8.190 nan 0.000 0.446 145 V N -0.305 119.490 119.914 -0.199 0.000 2.343 145 V HA -0.260 3.321 4.120 -0.898 0.000 0.247 145 V C 2.324 178.398 176.094 -0.035 0.000 1.051 145 V CA 1.846 64.101 62.300 -0.074 0.000 1.036 145 V CB -0.607 31.179 31.823 -0.061 0.000 0.654 145 V HN 0.434 nan 8.190 nan 0.000 0.451 146 L N -0.771 120.408 121.223 -0.074 0.000 2.046 146 L HA -0.195 3.606 4.340 -0.898 0.000 0.208 146 L C 2.471 179.266 176.870 -0.126 0.000 1.077 146 L CA 1.441 56.241 54.840 -0.067 0.000 0.747 146 L CB -0.519 41.489 42.059 -0.086 0.000 0.896 146 L HN 0.372 nan 8.230 nan 0.000 0.432 147 L N -1.113 119.867 121.223 -0.405 0.000 2.027 147 L HA -0.254 3.547 4.340 -0.898 0.000 0.206 147 L C 2.463 179.175 176.870 -0.263 0.000 1.074 147 L CA 1.734 56.152 54.840 -0.702 0.000 0.745 147 L CB -0.876 40.576 42.059 -1.012 0.000 0.898 147 L HN 0.146 nan 8.230 nan 0.000 0.433 148 Y N 0.569 120.709 120.300 -0.268 0.000 2.114 148 Y HA -0.264 3.753 4.550 -0.889 0.000 0.282 148 Y C 2.579 178.385 175.900 -0.156 0.000 1.165 148 Y CA 2.250 60.244 58.100 -0.177 0.000 1.148 148 Y CB -0.224 38.155 38.460 -0.135 0.000 0.972 148 Y HN 0.307 nan 8.280 nan 0.000 0.504 149 E N -0.495 119.638 120.200 -0.112 0.000 2.051 149 E HA -0.232 3.580 4.350 -0.898 0.000 0.192 149 E C 2.456 178.942 176.600 -0.190 0.000 0.991 149 E CA 1.435 57.737 56.400 -0.163 0.000 0.799 149 E CB -0.788 28.871 29.700 -0.069 0.000 0.748 149 E HN 0.544 nan 8.360 nan 0.000 0.449 150 C N 0.595 119.805 119.300 -0.150 0.000 2.398 150 C HA -0.162 3.759 4.460 -0.898 0.000 0.276 150 C C 2.855 177.690 174.990 -0.259 0.000 1.222 150 C CA 0.696 59.634 59.018 -0.134 0.000 1.746 150 C CB -1.244 26.498 27.740 0.003 0.000 2.039 150 C HN 0.379 nan 8.230 nan 0.000 0.470 151 L N 0.109 121.118 121.223 -0.356 0.000 2.056 151 L HA -0.114 3.688 4.340 -0.898 0.000 0.207 151 L C 2.565 179.218 176.870 -0.362 0.000 1.078 151 L CA 1.308 55.904 54.840 -0.408 0.000 0.749 151 L CB -0.649 41.167 42.059 -0.404 0.000 0.901 151 L HN 0.209 nan 8.230 nan 0.000 0.433 152 K N 0.254 120.417 120.400 -0.395 0.000 2.057 152 K HA -0.133 3.649 4.320 -0.898 0.000 0.206 152 K C 2.083 178.548 176.600 -0.224 0.000 1.050 152 K CA 1.067 57.141 56.287 -0.355 0.000 0.935 152 K CB -0.017 32.205 32.500 -0.463 0.000 0.715 152 K HN 0.141 nan 8.250 nan 0.000 0.439 153 E N 0.205 120.288 120.200 -0.195 0.000 2.265 153 E HA -0.137 3.675 4.350 -0.898 0.000 0.196 153 E C 1.706 178.236 176.600 -0.117 0.000 0.996 153 E CA 0.767 57.092 56.400 -0.125 0.000 0.832 153 E CB -0.006 29.631 29.700 -0.105 0.000 0.756 153 E HN 0.356 nan 8.360 nan 0.000 0.491 154 L N -0.559 120.553 121.223 -0.186 0.000 2.478 154 L HA 0.012 3.814 4.340 -0.898 0.000 0.223 154 L C 1.589 178.289 176.870 -0.283 0.000 1.140 154 L CA 0.690 55.398 54.840 -0.220 0.000 0.842 154 L CB -0.127 41.748 42.059 -0.307 0.000 0.953 154 L HN 0.262 nan 8.230 nan 0.000 0.452 155 G N -0.277 108.402 108.800 -0.202 0.000 2.195 155 G HA2 -0.234 3.187 3.960 -0.898 0.000 0.224 155 G HA3 -0.234 3.187 3.960 -0.898 0.000 0.224 155 G C 0.251 175.033 174.900 -0.195 0.000 0.990 155 G CA -0.450 44.611 45.100 -0.065 0.000 0.639 155 G HN 0.150 nan 8.290 nan 0.000 0.514 156 L N 2.134 123.143 121.223 -0.356 0.000 2.456 156 L HA 0.509 4.310 4.340 -0.898 0.000 0.272 156 L C 1.334 178.153 176.870 -0.086 0.000 1.189 156 L CA -0.221 54.466 54.840 -0.255 0.000 0.846 156 L CB 0.432 42.297 42.059 -0.323 0.000 1.111 156 L HN 0.468 nan 8.230 nan 0.000 0.475 157 R N 2.583 123.107 120.500 0.040 0.000 2.922 157 R HA 0.580 4.381 4.340 -0.898 0.000 0.256 157 R C -0.423 175.927 176.300 0.084 0.000 1.138 157 R CA -1.076 55.053 56.100 0.049 0.000 0.995 157 R CB 0.878 31.216 30.300 0.062 0.000 1.226 157 R HN 0.495 nan 8.270 nan 0.000 0.481 158 R N -0.037 120.492 120.500 0.049 0.000 3.423 158 R HA -0.130 3.671 4.340 -0.898 0.000 0.271 158 R C -0.761 175.563 176.300 0.040 0.000 1.093 158 R CA 0.391 56.499 56.100 0.013 0.000 0.730 158 R CB -1.687 28.572 30.300 -0.068 0.000 1.190 158 R HN 0.465 nan 8.270 nan 0.000 0.437 159 L N 1.483 122.770 121.223 0.108 0.000 2.265 159 L HA 0.294 4.095 4.340 -0.898 0.000 0.288 159 L C 0.498 177.481 176.870 0.188 0.000 1.058 159 L CA -0.472 54.463 54.840 0.157 0.000 0.809 159 L CB 0.962 43.102 42.059 0.136 0.000 1.179 159 L HN -0.093 nan 8.230 nan 0.000 0.429 160 K N 4.071 124.572 120.400 0.168 0.000 2.263 160 K HA 0.396 4.178 4.320 -0.898 0.000 0.272 160 K C -0.731 175.983 176.600 0.188 0.000 1.033 160 K CA -0.576 55.806 56.287 0.158 0.000 0.884 160 K CB 2.092 34.677 32.500 0.142 0.000 1.107 160 K HN 0.221 nan 8.250 nan 0.000 0.460 161 V N 4.186 124.187 119.914 0.146 0.000 2.383 161 V HA 0.235 3.816 4.120 -0.898 0.000 0.275 161 V C 0.191 176.397 176.094 0.187 0.000 1.036 161 V CA -0.578 61.807 62.300 0.141 0.000 0.889 161 V CB 0.725 32.563 31.823 0.024 0.000 0.985 161 V HN 0.508 nan 8.190 nan 0.000 0.459 162 K N 4.916 125.454 120.400 0.229 0.000 2.274 162 K HA 0.650 4.431 4.320 -0.898 0.000 0.262 162 K C -1.088 175.658 176.600 0.243 0.000 0.961 162 K CA -0.756 55.671 56.287 0.233 0.000 0.833 162 K CB 2.317 34.971 32.500 0.257 0.000 1.102 162 K HN 0.417 nan 8.250 nan 0.000 0.436 163 L N 1.094 122.461 121.223 0.240 0.000 2.319 163 L HA 0.661 4.463 4.340 -0.898 0.000 0.267 163 L C -0.535 176.437 176.870 0.169 0.000 1.011 163 L CA 0.095 55.058 54.840 0.206 0.000 0.818 163 L CB 2.037 44.168 42.059 0.120 0.000 1.316 163 L HN 0.740 nan 8.230 nan 0.000 0.432 164 S N 1.227 117.012 115.700 0.143 0.000 2.669 164 S HA 0.729 4.660 4.470 -0.898 0.000 0.266 164 S C -1.805 172.851 174.600 0.093 0.000 1.149 164 S CA -0.031 58.230 58.200 0.102 0.000 0.842 164 S CB 0.733 63.980 63.200 0.078 0.000 1.160 164 S HN 1.046 nan 8.310 nan 0.000 0.487 165 S N -0.134 115.602 115.700 0.059 0.000 2.541 165 S HA 0.599 4.530 4.470 -0.898 0.000 0.271 165 S C -0.141 174.466 174.600 0.012 0.000 1.133 165 S CA 0.065 58.296 58.200 0.052 0.000 0.876 165 S CB 1.411 64.646 63.200 0.057 0.000 1.105 165 S HN 1.667 nan 8.310 nan 0.000 0.470 166 V N 1.279 121.201 119.914 0.013 0.000 3.427 166 V HA 0.696 4.277 4.120 -0.898 0.000 0.305 166 V C 1.106 177.197 176.094 -0.005 0.000 1.412 166 V CA 0.496 62.787 62.300 -0.016 0.000 1.086 166 V CB -0.820 31.006 31.823 0.004 0.000 0.964 166 V HN 1.628 nan 8.190 nan 0.000 0.439 167 G N 1.245 110.050 108.800 0.008 0.000 2.749 167 G HA2 -0.202 3.219 3.960 -0.898 0.000 0.242 167 G HA3 -0.202 3.219 3.960 -0.898 0.000 0.242 167 G C -0.676 174.233 174.900 0.016 0.000 1.364 167 G CA 0.262 45.371 45.100 0.015 0.000 0.888 167 G HN 0.550 nan 8.290 nan 0.000 0.566 168 D N 1.551 121.964 120.400 0.021 0.000 2.312 168 D HA 0.406 4.507 4.640 -0.898 0.000 0.248 168 D C -0.709 175.614 176.300 0.039 0.000 1.086 168 D CA -0.873 53.139 54.000 0.020 0.000 0.948 168 D CB 1.182 41.991 40.800 0.016 0.000 1.162 168 D HN 0.183 nan 8.370 nan 0.000 0.446 169 P HA -0.193 nan 4.420 nan 0.000 0.218 169 P C 0.498 177.831 177.300 0.055 0.000 1.146 169 P CA 1.455 64.584 63.100 0.048 0.000 0.820 169 P CB 0.420 32.146 31.700 0.043 0.000 0.778 170 E N -0.107 120.125 120.200 0.053 0.000 2.152 170 E HA -0.116 3.695 4.350 -0.898 0.000 0.192 170 E C 1.728 178.379 176.600 0.085 0.000 0.983 170 E CA 0.954 57.391 56.400 0.061 0.000 0.818 170 E CB -0.729 29.002 29.700 0.051 0.000 0.758 170 E HN 0.303 nan 8.360 nan 0.000 0.467 171 D N 0.681 121.133 120.400 0.087 0.000 2.149 171 D HA -0.043 4.058 4.640 -0.898 0.000 0.201 171 D C 1.771 178.154 176.300 0.137 0.000 0.972 171 D CA 0.715 54.788 54.000 0.122 0.000 0.835 171 D CB -0.113 40.745 40.800 0.097 0.000 0.966 171 D HN 0.131 nan 8.370 nan 0.000 0.476 172 R N 0.811 121.370 120.500 0.099 0.000 2.148 172 R HA 0.080 3.881 4.340 -0.898 0.000 0.223 172 R C 2.229 178.600 176.300 0.119 0.000 1.088 172 R CA 0.913 57.077 56.100 0.107 0.000 0.985 172 R CB -0.117 30.230 30.300 0.079 0.000 0.880 172 R HN 0.070 nan 8.270 nan 0.000 0.451 173 A N 1.469 124.348 122.820 0.099 0.000 1.873 173 A HA -0.157 3.625 4.320 -0.898 0.000 0.215 173 A C 2.073 179.718 177.584 0.101 0.000 1.186 173 A CA 1.120 53.207 52.037 0.083 0.000 0.616 173 A CB -0.308 18.734 19.000 0.071 0.000 0.823 173 A HN 0.184 nan 8.150 nan 0.000 0.442 174 R N -2.193 118.394 120.500 0.145 0.000 2.081 174 R HA -0.159 3.643 4.340 -0.898 0.000 0.235 174 R C 2.171 178.580 176.300 0.182 0.000 1.131 174 R CA 1.707 57.926 56.100 0.198 0.000 0.960 174 R CB -0.560 29.912 30.300 0.287 0.000 0.856 174 R HN 0.658 nan 8.270 nan 0.000 0.436 175 Y N 2.140 122.392 120.300 -0.080 0.000 2.165 175 Y HA -0.216 3.795 4.550 -0.898 0.000 0.286 175 Y C 1.938 177.749 175.900 -0.149 0.000 1.155 175 Y CA 1.378 59.225 58.100 -0.421 0.000 1.164 175 Y CB -0.313 37.861 38.460 -0.476 0.000 0.978 175 Y HN 0.041 nan 8.280 nan 0.000 0.513 176 N N 0.222 118.881 118.700 -0.067 0.000 2.166 176 N HA -0.177 4.025 4.740 -0.898 0.000 0.186 176 N C 1.955 177.393 175.510 -0.120 0.000 1.019 176 N CA 1.314 54.290 53.050 -0.123 0.000 0.856 176 N CB -0.507 37.966 38.487 -0.023 0.000 0.993 176 N HN 0.507 nan 8.380 nan 0.000 0.426 177 A N 0.638 123.438 122.820 -0.032 0.000 1.858 177 A HA -0.200 3.581 4.320 -0.898 0.000 0.216 177 A C 2.156 179.727 177.584 -0.022 0.000 1.190 177 A CA 1.276 53.311 52.037 -0.003 0.000 0.617 177 A CB -1.184 17.852 19.000 0.060 0.000 0.827 177 A HN 0.430 nan 8.150 nan 0.000 0.443 178 Y N 0.704 120.936 120.300 -0.113 0.000 2.151 178 Y HA -0.226 3.786 4.550 -0.898 0.000 0.284 178 Y C 1.893 177.668 175.900 -0.210 0.000 1.166 178 Y CA 1.940 59.974 58.100 -0.111 0.000 1.163 178 Y CB -0.463 37.932 38.460 -0.109 0.000 0.974 178 Y HN 0.211 nan 8.280 nan 0.000 0.511 179 L N -0.084 120.786 121.223 -0.588 0.000 2.131 179 L HA -0.223 3.578 4.340 -0.898 0.000 0.210 179 L C 2.660 179.301 176.870 -0.382 0.000 1.092 179 L CA 1.468 55.932 54.840 -0.626 0.000 0.759 179 L CB -0.480 41.263 42.059 -0.528 0.000 0.903 179 L HN 0.228 nan 8.230 nan 0.000 0.435 180 R N -0.054 120.295 120.500 -0.252 0.000 2.075 180 R HA -0.150 3.651 4.340 -0.898 0.000 0.232 180 R C 2.114 178.323 176.300 -0.152 0.000 1.126 180 R CA 1.269 57.275 56.100 -0.158 0.000 0.963 180 R CB -0.248 29.993 30.300 -0.097 0.000 0.858 180 R HN 0.457 nan 8.270 nan 0.000 0.435 181 E N 0.204 120.305 120.200 -0.164 0.000 2.077 181 E HA -0.144 3.667 4.350 -0.898 0.000 0.193 181 E C 2.000 178.508 176.600 -0.154 0.000 0.989 181 E CA 1.280 57.606 56.400 -0.123 0.000 0.800 181 E CB 0.072 29.734 29.700 -0.063 0.000 0.746 181 E HN 0.077 nan 8.360 nan 0.000 0.452 182 V N 0.864 120.606 119.914 -0.286 0.000 2.488 182 V HA -0.140 3.441 4.120 -0.898 0.000 0.246 182 V C 1.974 178.025 176.094 -0.073 0.000 1.046 182 V CA 1.185 63.353 62.300 -0.220 0.000 1.053 182 V CB -0.116 31.440 31.823 -0.445 0.000 0.679 182 V HN 0.243 nan 8.190 nan 0.000 0.458 183 L N -1.115 120.032 121.223 -0.126 0.000 2.529 183 L HA 0.062 3.863 4.340 -0.898 0.000 0.223 183 L C 2.417 179.278 176.870 -0.015 0.000 1.113 183 L CA 0.296 55.116 54.840 -0.034 0.000 0.861 183 L CB -0.186 41.817 42.059 -0.093 0.000 1.012 183 L HN 0.223 nan 8.230 nan 0.000 0.461 184 S N 1.056 116.718 115.700 -0.063 0.000 2.348 184 S HA -0.056 3.875 4.470 -0.898 0.000 0.221 184 S C -0.662 173.887 174.600 -0.085 0.000 1.033 184 S CA 1.371 59.533 58.200 -0.064 0.000 1.010 184 S CB -0.990 62.167 63.200 -0.071 0.000 0.891 184 S HN 0.327 nan 8.310 nan 0.000 0.442 185 P HA -0.058 nan 4.420 nan 0.000 0.242 185 P C -0.108 176.939 177.300 -0.421 0.000 1.198 185 P CA 1.089 64.027 63.100 -0.270 0.000 0.756 185 P CB -0.162 31.345 31.700 -0.320 0.000 0.911 186 H N -1.777 117.266 119.070 -0.044 0.000 2.767 186 H HA 0.241 4.259 4.556 -0.897 0.000 0.260 186 H C 1.799 177.105 175.328 -0.037 0.000 1.172 186 H CA -0.386 55.639 56.048 -0.038 0.000 1.048 186 H CB 0.371 30.107 29.762 -0.043 0.000 1.697 186 H HN 0.065 nan 8.280 nan 0.000 0.606 187 R N 1.802 122.322 120.500 0.033 0.000 2.143 187 R HA -0.180 3.621 4.340 -0.898 0.000 0.239 187 R C 1.910 178.220 176.300 0.017 0.000 1.126 187 R CA 2.407 58.514 56.100 0.012 0.000 0.927 187 R CB 0.143 30.435 30.300 -0.013 0.000 0.860 187 R HN 0.360 nan 8.270 nan 0.000 0.433 188 E N -0.068 120.141 120.200 0.014 0.000 2.455 188 E HA -0.189 3.623 4.350 -0.898 0.000 0.202 188 E C 1.378 177.989 176.600 0.019 0.000 1.045 188 E CA 1.239 57.647 56.400 0.013 0.000 0.872 188 E CB -0.151 29.555 29.700 0.009 0.000 0.792 188 E HN 0.537 nan 8.360 nan 0.000 0.542 189 A N 1.090 123.930 122.820 0.034 0.000 2.081 189 A HA 0.169 3.950 4.320 -0.898 0.000 0.214 189 A C 1.779 179.367 177.584 0.006 0.000 1.158 189 A CA 0.056 52.107 52.037 0.023 0.000 0.724 189 A CB -0.144 18.875 19.000 0.031 0.000 0.826 189 A HN 0.126 nan 8.150 nan 0.000 0.463 190 L N -1.597 119.629 121.223 0.006 0.000 2.767 190 L HA 0.473 4.274 4.340 -0.898 0.000 0.157 190 L C 0.873 177.741 176.870 -0.003 0.000 1.227 190 L CA 0.088 54.926 54.840 -0.004 0.000 1.557 190 L CB -0.228 41.827 42.059 -0.006 0.000 2.290 190 L HN 0.271 nan 8.230 nan 0.000 0.495 191 S N -2.731 112.966 115.700 -0.005 0.000 2.611 191 S HA 0.177 4.108 4.470 -0.898 0.000 0.270 191 S C -0.174 174.423 174.600 -0.005 0.000 1.131 191 S CA -0.527 57.671 58.200 -0.004 0.000 0.826 191 S CB 0.996 64.193 63.200 -0.004 0.000 1.095 191 S HN 0.669 nan 8.310 nan 0.000 0.461 192 E N 0.752 120.950 120.200 -0.004 0.000 3.003 192 E HA -0.410 3.401 4.350 -0.898 0.000 0.238 192 E C 1.061 177.658 176.600 -0.004 0.000 0.891 192 E CA 2.903 59.301 56.400 -0.004 0.000 1.311 192 E CB -0.781 28.918 29.700 -0.003 0.000 1.381 192 E HN 0.867 nan 8.360 nan 0.000 0.452 193 D N -0.040 120.358 120.400 -0.004 0.000 2.106 193 D HA -0.159 3.942 4.640 -0.898 0.000 0.191 193 D C 1.873 178.169 176.300 -0.006 0.000 0.997 193 D CA 1.926 55.924 54.000 -0.003 0.000 0.834 193 D CB -0.629 40.170 40.800 -0.002 0.000 0.956 193 D HN 0.062 nan 8.370 nan 0.000 0.448 194 S N -0.105 115.590 115.700 -0.008 0.000 2.400 194 S HA -0.156 3.776 4.470 -0.898 0.000 0.232 194 S C 1.663 176.254 174.600 -0.014 0.000 1.025 194 S CA 1.130 59.322 58.200 -0.012 0.000 0.993 194 S CB -0.211 62.981 63.200 -0.013 0.000 0.808 194 S HN 0.328 nan 8.310 nan 0.000 0.478 195 K N 0.833 121.226 120.400 -0.011 0.000 2.103 195 K HA -0.028 3.753 4.320 -0.898 0.000 0.204 195 K C 2.008 178.600 176.600 -0.013 0.000 1.052 195 K CA 1.002 57.282 56.287 -0.012 0.000 0.945 195 K CB -0.087 32.408 32.500 -0.009 0.000 0.722 195 K HN 0.423 nan 8.250 nan 0.000 0.443 196 E N 0.540 120.734 120.200 -0.010 0.000 2.216 196 E HA -0.081 3.730 4.350 -0.898 0.000 0.192 196 E C 1.940 178.534 176.600 -0.010 0.000 0.988 196 E CA 0.485 56.879 56.400 -0.009 0.000 0.834 196 E CB 0.147 29.844 29.700 -0.005 0.000 0.772 196 E HN 0.201 nan 8.360 nan 0.000 0.479 197 R N 0.484 120.977 120.500 -0.012 0.000 2.115 197 R HA -0.049 3.753 4.340 -0.898 0.000 0.230 197 R C 2.326 178.612 176.300 -0.022 0.000 1.111 197 R CA 0.642 56.734 56.100 -0.013 0.000 0.976 197 R CB -0.188 30.104 30.300 -0.013 0.000 0.870 197 R HN 0.159 nan 8.270 nan 0.000 0.445 198 L N 0.364 121.570 121.223 -0.028 0.000 2.127 198 L HA -0.222 3.579 4.340 -0.898 0.000 0.211 198 L C 2.340 179.190 176.870 -0.034 0.000 1.089 198 L CA 1.464 56.280 54.840 -0.040 0.000 0.757 198 L CB -0.223 41.812 42.059 -0.040 0.000 0.899 198 L HN 0.292 nan 8.230 nan 0.000 0.434 199 E N -0.527 119.659 120.200 -0.023 0.000 2.276 199 E HA -0.113 3.699 4.350 -0.898 0.000 0.193 199 E C 1.829 178.422 176.600 -0.011 0.000 0.983 199 E CA 0.413 56.803 56.400 -0.017 0.000 0.861 199 E CB 0.379 30.072 29.700 -0.013 0.000 0.817 199 E HN 0.475 nan 8.360 nan 0.000 0.485 200 E N -0.145 120.050 120.200 -0.009 0.000 2.175 200 E HA 0.104 3.915 4.350 -0.898 0.000 0.195 200 E C 0.335 176.935 176.600 0.000 0.000 0.934 200 E CA 0.234 56.633 56.400 -0.002 0.000 0.870 200 E CB 0.457 30.158 29.700 0.002 0.000 0.838 200 E HN -0.012 nan 8.360 nan 0.000 0.474 201 N N 0.170 118.868 118.700 -0.004 0.000 2.839 201 N HA 0.095 4.296 4.740 -0.898 0.000 0.230 201 N C -2.589 172.913 175.510 -0.013 0.000 1.388 201 N CA -1.098 51.951 53.050 -0.002 0.000 0.747 201 N CB 1.191 39.683 38.487 0.010 0.000 1.411 201 N HN -0.226 nan 8.380 nan 0.000 0.556 202 P HA -0.163 nan 4.420 nan 0.000 0.216 202 P C 1.477 178.748 177.300 -0.048 0.000 1.153 202 P CA 1.317 64.379 63.100 -0.063 0.000 0.858 202 P CB 0.205 31.837 31.700 -0.113 0.000 0.789 203 M N -1.783 117.810 119.600 -0.012 0.000 2.346 203 M HA -0.185 3.756 4.480 -0.898 0.000 0.263 203 M C 2.163 178.482 176.300 0.032 0.000 1.064 203 M CA 1.349 56.677 55.300 0.047 0.000 1.083 203 M CB -0.407 32.258 32.600 0.110 0.000 1.399 203 M HN -0.177 nan 8.290 nan 0.000 0.435 204 R N 1.463 121.970 120.500 0.012 0.000 2.189 204 R HA -0.019 3.782 4.340 -0.898 0.000 0.223 204 R C 1.441 177.742 176.300 0.001 0.000 1.092 204 R CA 1.357 57.461 56.100 0.008 0.000 0.989 204 R CB -0.834 29.470 30.300 0.007 0.000 0.876 204 R HN 0.407 nan 8.270 nan 0.000 0.457 205 I N 0.338 120.903 120.570 -0.007 0.000 2.454 205 I HA -0.222 3.410 4.170 -0.898 0.000 0.254 205 I C 1.454 177.567 176.117 -0.005 0.000 1.156 205 I CA 0.977 62.270 61.300 -0.013 0.000 1.433 205 I CB -0.165 37.817 38.000 -0.030 0.000 1.082 205 I HN 0.153 nan 8.210 nan 0.000 0.432 206 L N -0.023 121.205 121.223 0.008 0.000 2.478 206 L HA -0.080 3.721 4.340 -0.898 0.000 0.223 206 L C 0.813 177.690 176.870 0.012 0.000 1.140 206 L CA 0.811 55.664 54.840 0.021 0.000 0.842 206 L CB -0.429 41.666 42.059 0.060 0.000 0.953 206 L HN 0.185 nan 8.230 nan 0.000 0.452 207 D N -1.103 119.299 120.400 0.004 0.000 2.398 207 D HA 0.004 4.105 4.640 -0.898 0.000 0.210 207 D C 0.875 177.173 176.300 -0.004 0.000 1.094 207 D CA 0.034 54.030 54.000 -0.005 0.000 0.839 207 D CB 0.452 41.244 40.800 -0.014 0.000 0.963 207 D HN 0.115 nan 8.370 nan 0.000 0.506 208 S N 1.061 116.759 115.700 -0.003 0.000 2.565 208 S HA 0.128 4.059 4.470 -0.898 0.000 0.274 208 S C 0.869 175.467 174.600 -0.004 0.000 1.309 208 S CA -0.778 57.420 58.200 -0.003 0.000 1.043 208 S CB 1.202 64.399 63.200 -0.004 0.000 0.939 208 S HN 0.064 nan 8.310 nan 0.000 0.504 209 K N 1.584 121.982 120.400 -0.004 0.000 2.708 209 K HA 0.160 3.941 4.320 -0.898 0.000 0.219 209 K C -0.674 175.923 176.600 -0.005 0.000 1.068 209 K CA -0.290 55.994 56.287 -0.005 0.000 1.212 209 K CB -0.663 31.834 32.500 -0.005 0.000 0.978 209 K HN 0.408 nan 8.250 nan 0.000 0.475 210 S N 2.225 117.921 115.700 -0.006 0.000 2.400 210 S HA 0.120 4.052 4.470 -0.898 0.000 0.295 210 S C 0.790 175.385 174.600 -0.008 0.000 1.113 210 S CA -0.532 57.664 58.200 -0.006 0.000 1.064 210 S CB 1.155 64.351 63.200 -0.007 0.000 0.990 210 S HN 0.333 nan 8.310 nan 0.000 0.502 211 E N 2.525 122.720 120.200 -0.007 0.000 2.187 211 E HA -0.270 3.541 4.350 -0.898 0.000 0.199 211 E C 2.095 178.689 176.600 -0.010 0.000 1.004 211 E CA 1.034 57.429 56.400 -0.008 0.000 0.813 211 E CB -0.021 29.674 29.700 -0.007 0.000 0.736 211 E HN 0.546 nan 8.360 nan 0.000 0.468 212 R N 0.821 121.315 120.500 -0.010 0.000 2.075 212 R HA -0.140 3.661 4.340 -0.898 0.000 0.232 212 R C 1.657 177.949 176.300 -0.015 0.000 1.126 212 R CA 1.588 57.682 56.100 -0.011 0.000 0.963 212 R CB 0.131 30.426 30.300 -0.009 0.000 0.858 212 R HN 0.088 nan 8.270 nan 0.000 0.435 213 D N 0.361 120.753 120.400 -0.014 0.000 2.123 213 D HA -0.139 3.962 4.640 -0.898 0.000 0.200 213 D C 1.885 178.173 176.300 -0.020 0.000 0.976 213 D CA 1.132 55.122 54.000 -0.017 0.000 0.831 213 D CB -0.058 40.733 40.800 -0.014 0.000 0.974 213 D HN 0.413 nan 8.370 nan 0.000 0.469 214 Q N 0.531 120.322 119.800 -0.015 0.000 2.170 214 Q HA -0.073 3.728 4.340 -0.898 0.000 0.203 214 Q C 2.154 178.143 176.000 -0.019 0.000 0.976 214 Q CA 1.166 56.961 55.803 -0.014 0.000 0.858 214 Q CB -0.022 28.710 28.738 -0.010 0.000 0.907 214 Q HN 0.184 nan 8.270 nan 0.000 0.433 215 A N 0.995 123.803 122.820 -0.021 0.000 1.855 215 A HA -0.174 3.607 4.320 -0.898 0.000 0.215 215 A C 2.053 179.613 177.584 -0.039 0.000 1.191 215 A CA 1.164 53.186 52.037 -0.025 0.000 0.613 215 A CB -0.717 18.270 19.000 -0.022 0.000 0.829 215 A HN 0.349 nan 8.150 nan 0.000 0.442 216 L N 0.018 121.212 121.223 -0.048 0.000 2.042 216 L HA -0.158 3.643 4.340 -0.898 0.000 0.210 216 L C 2.316 179.134 176.870 -0.087 0.000 1.076 216 L CA 1.788 56.579 54.840 -0.081 0.000 0.749 216 L CB -0.498 41.513 42.059 -0.081 0.000 0.893 216 L HN 0.424 nan 8.230 nan 0.000 0.432 217 L N -0.477 120.712 121.223 -0.057 0.000 2.042 217 L HA -0.258 3.544 4.340 -0.898 0.000 0.210 217 L C 2.662 179.514 176.870 -0.029 0.000 1.076 217 L CA 1.863 56.678 54.840 -0.041 0.000 0.749 217 L CB -0.754 41.294 42.059 -0.019 0.000 0.893 217 L HN 0.350 nan 8.230 nan 0.000 0.432 218 K N 0.409 120.793 120.400 -0.026 0.000 2.097 218 K HA -0.248 3.533 4.320 -0.898 0.000 0.206 218 K C 2.079 178.665 176.600 -0.024 0.000 1.049 218 K CA 1.687 57.963 56.287 -0.018 0.000 0.933 218 K CB 0.026 32.516 32.500 -0.017 0.000 0.717 218 K HN 0.336 nan 8.250 nan 0.000 0.442 219 E N 0.533 120.707 120.200 -0.043 0.000 2.051 219 E HA -0.139 3.673 4.350 -0.898 0.000 0.189 219 E C 2.089 178.654 176.600 -0.058 0.000 0.979 219 E CA 0.688 57.057 56.400 -0.050 0.000 0.803 219 E CB 0.013 29.672 29.700 -0.068 0.000 0.761 219 E HN 0.322 nan 8.360 nan 0.000 0.451 220 L N 0.203 121.373 121.223 -0.089 0.000 2.093 220 L HA 0.023 3.824 4.340 -0.898 0.000 0.208 220 L C 1.437 178.299 176.870 -0.013 0.000 1.085 220 L CA 0.666 55.456 54.840 -0.084 0.000 0.755 220 L CB -0.678 41.296 42.059 -0.142 0.000 0.904 220 L HN 0.415 nan 8.230 nan 0.000 0.435 221 G N 1.535 110.336 108.800 0.000 0.000 2.372 221 G HA2 -0.218 3.203 3.960 -0.898 0.000 0.297 221 G HA3 -0.218 3.203 3.960 -0.898 0.000 0.297 221 G C 0.279 175.229 174.900 0.083 0.000 1.005 221 G CA 0.338 45.461 45.100 0.038 0.000 1.173 221 G HN 0.288 nan 8.290 nan 0.000 0.511 222 V N -2.013 117.961 119.914 0.099 0.000 3.432 222 V HA 0.504 4.085 4.120 -0.898 0.000 0.304 222 V C 1.167 177.430 176.094 0.280 0.000 1.107 222 V CA -0.674 61.744 62.300 0.197 0.000 1.153 222 V CB 0.556 32.462 31.823 0.138 0.000 1.072 222 V HN 0.581 nan 8.190 nan 0.000 0.485 223 R N 2.146 122.908 120.500 0.436 0.000 2.543 223 R HA 0.351 4.153 4.340 -0.898 0.000 0.277 223 R C -2.356 174.198 176.300 0.424 0.000 1.074 223 R CA -1.231 55.084 56.100 0.359 0.000 1.076 223 R CB 0.041 30.513 30.300 0.287 0.000 0.993 223 R HN 0.605 nan 8.270 nan 0.000 0.459 224 P HA 0.004 nan 4.420 nan 0.000 0.274 224 P C 0.246 177.542 177.300 -0.008 0.000 1.231 224 P CA -0.298 62.885 63.100 0.139 0.000 0.790 224 P CB 0.570 32.318 31.700 0.080 0.000 0.951 225 M N 2.738 122.101 119.600 -0.395 0.000 2.358 225 M HA -0.086 3.855 4.480 -0.898 0.000 0.264 225 M C 1.196 177.386 176.300 -0.184 0.000 1.064 225 M CA 1.628 56.472 55.300 -0.761 0.000 1.093 225 M CB -1.162 31.017 32.600 -0.702 0.000 1.401 225 M HN 0.278 nan 8.290 nan 0.000 0.440 226 L N -0.399 120.789 121.223 -0.058 0.000 2.083 226 L HA -0.212 3.590 4.340 -0.898 0.000 0.209 226 L C 1.308 178.200 176.870 0.036 0.000 1.083 226 L CA 1.133 55.976 54.840 0.005 0.000 0.752 226 L CB -0.811 41.257 42.059 0.016 0.000 0.899 226 L HN 0.240 nan 8.230 nan 0.000 0.433 227 D N -0.705 119.745 120.400 0.083 0.000 2.378 227 D HA -0.092 4.009 4.640 -0.898 0.000 0.227 227 D C 0.990 177.186 176.300 -0.172 0.000 1.012 227 D CA 0.973 54.956 54.000 -0.028 0.000 0.905 227 D CB 0.076 40.847 40.800 -0.048 0.000 0.895 227 D HN 0.254 nan 8.370 nan 0.000 0.532 228 F N 0.042 119.934 119.950 -0.097 0.000 2.698 228 F HA 0.253 4.241 4.527 -0.898 0.000 0.304 228 F C 0.628 176.400 175.800 -0.047 0.000 1.108 228 F CA -0.524 57.439 58.000 -0.060 0.000 1.263 228 F CB 0.084 39.063 39.000 -0.033 0.000 1.013 228 F HN -0.242 nan 8.300 nan 0.000 0.532 229 L N 0.758 122.026 121.223 0.075 0.000 2.455 229 L HA 0.263 4.064 4.340 -0.898 0.000 0.272 229 L C 1.240 178.132 176.870 0.036 0.000 1.174 229 L CA -0.170 54.700 54.840 0.049 0.000 0.869 229 L CB -0.016 42.061 42.059 0.030 0.000 1.130 229 L HN 0.237 nan 8.230 nan 0.000 0.474 230 G N 1.495 110.321 108.800 0.044 0.000 2.653 230 G HA2 0.059 3.480 3.960 -0.898 0.000 0.265 230 G HA3 0.059 3.480 3.960 -0.898 0.000 0.265 230 G C 0.704 175.619 174.900 0.025 0.000 1.237 230 G CA -0.260 44.860 45.100 0.034 0.000 0.946 230 G HN 0.769 nan 8.290 nan 0.000 0.522 231 E N -0.262 119.950 120.200 0.021 0.000 2.033 231 E HA -0.182 3.629 4.350 -0.898 0.000 0.199 231 E C 2.293 178.911 176.600 0.029 0.000 1.011 231 E CA 2.281 58.693 56.400 0.019 0.000 0.815 231 E CB -0.205 29.505 29.700 0.016 0.000 0.755 231 E HN 0.669 nan 8.360 nan 0.000 0.451 232 E N -0.187 120.032 120.200 0.033 0.000 2.110 232 E HA -0.196 3.615 4.350 -0.898 0.000 0.193 232 E C 2.087 178.726 176.600 0.065 0.000 0.988 232 E CA 0.943 57.371 56.400 0.046 0.000 0.804 232 E CB -0.269 29.453 29.700 0.037 0.000 0.745 232 E HN 0.396 nan 8.360 nan 0.000 0.458 233 A N 1.564 124.412 122.820 0.047 0.000 1.933 233 A HA -0.180 3.602 4.320 -0.898 0.000 0.218 233 A C 2.126 179.755 177.584 0.075 0.000 1.175 233 A CA 1.393 53.460 52.037 0.050 0.000 0.628 233 A CB -0.389 18.629 19.000 0.030 0.000 0.814 233 A HN 0.061 nan 8.150 nan 0.000 0.444 234 R N -0.682 119.850 120.500 0.053 0.000 2.115 234 R HA 0.032 3.834 4.340 -0.898 0.000 0.226 234 R C 2.208 178.535 176.300 0.044 0.000 1.100 234 R CA 1.120 57.245 56.100 0.043 0.000 0.980 234 R CB -0.272 30.042 30.300 0.022 0.000 0.875 234 R HN 0.446 nan 8.270 nan 0.000 0.445 235 A N 0.023 122.873 122.820 0.051 0.000 1.929 235 A HA -0.167 3.615 4.320 -0.898 0.000 0.216 235 A C 2.001 179.610 177.584 0.041 0.000 1.176 235 A CA 1.185 53.243 52.037 0.034 0.000 0.628 235 A CB -0.740 18.280 19.000 0.034 0.000 0.816 235 A HN 0.441 nan 8.150 nan 0.000 0.444 236 H N -0.499 118.569 119.070 -0.004 0.000 2.357 236 H HA -0.090 3.927 4.556 -0.898 0.000 0.301 236 H C 1.982 177.303 175.328 -0.012 0.000 1.082 236 H CA 1.877 57.924 56.048 -0.001 0.000 1.342 236 H CB -0.116 29.654 29.762 0.013 0.000 1.389 236 H HN 0.359 nan 8.280 nan 0.000 0.511 237 L N 1.572 122.878 121.223 0.138 0.000 2.093 237 L HA -0.095 3.706 4.340 -0.898 0.000 0.208 237 L C 2.446 179.301 176.870 -0.026 0.000 1.085 237 L CA 1.623 56.504 54.840 0.069 0.000 0.755 237 L CB -0.560 41.544 42.059 0.076 0.000 0.904 237 L HN 0.031 nan 8.230 nan 0.000 0.435 238 K N -0.810 119.571 120.400 -0.031 0.000 2.097 238 K HA -0.143 3.638 4.320 -0.898 0.000 0.205 238 K C 1.984 178.496 176.600 -0.146 0.000 1.050 238 K CA 1.237 57.487 56.287 -0.062 0.000 0.938 238 K CB 0.034 32.509 32.500 -0.041 0.000 0.718 238 K HN 0.359 nan 8.250 nan 0.000 0.442 239 E N 0.335 120.419 120.200 -0.194 0.000 2.051 239 E HA -0.166 3.645 4.350 -0.898 0.000 0.192 239 E C 2.103 178.444 176.600 -0.432 0.000 0.991 239 E CA 1.107 57.305 56.400 -0.337 0.000 0.799 239 E CB -0.268 29.251 29.700 -0.301 0.000 0.748 239 E HN 0.082 nan 8.360 nan 0.000 0.449 240 V N 1.826 121.579 119.914 -0.268 0.000 2.332 240 V HA -0.263 3.318 4.120 -0.898 0.000 0.248 240 V C 2.212 178.155 176.094 -0.250 0.000 1.055 240 V CA 1.994 64.184 62.300 -0.184 0.000 1.038 240 V CB -0.583 31.168 31.823 -0.119 0.000 0.651 240 V HN 0.257 nan 8.190 nan 0.000 0.450 241 E N -0.111 119.936 120.200 -0.256 0.000 2.077 241 E HA -0.263 3.548 4.350 -0.898 0.000 0.193 241 E C 2.441 178.933 176.600 -0.180 0.000 0.989 241 E CA 1.346 57.578 56.400 -0.280 0.000 0.800 241 E CB -0.251 29.408 29.700 -0.069 0.000 0.746 241 E HN 0.468 nan 8.360 nan 0.000 0.452 242 R N 0.315 120.690 120.500 -0.208 0.000 2.091 242 R HA -0.187 3.614 4.340 -0.898 0.000 0.238 242 R C 2.267 178.473 176.300 -0.157 0.000 1.136 242 R CA 1.549 57.533 56.100 -0.193 0.000 0.959 242 R CB -0.135 29.996 30.300 -0.281 0.000 0.856 242 R HN 0.297 nan 8.270 nan 0.000 0.437 243 H N 0.576 119.588 119.070 -0.096 0.000 2.353 243 H HA -0.119 3.898 4.556 -0.898 0.000 0.300 243 H C 2.195 177.461 175.328 -0.103 0.000 1.090 243 H CA 1.578 57.570 56.048 -0.094 0.000 1.327 243 H CB -0.363 29.335 29.762 -0.107 0.000 1.383 243 H HN 0.245 nan 8.280 nan 0.000 0.508 244 L N 0.662 121.856 121.223 -0.049 0.000 2.046 244 L HA -0.144 3.657 4.340 -0.898 0.000 0.208 244 L C 2.686 179.549 176.870 -0.012 0.000 1.077 244 L CA 1.389 56.167 54.840 -0.103 0.000 0.747 244 L CB -0.381 41.499 42.059 -0.298 0.000 0.896 244 L HN 0.304 nan 8.230 nan 0.000 0.432 245 E N 1.136 121.357 120.200 0.035 0.000 2.058 245 E HA -0.307 3.504 4.350 -0.898 0.000 0.194 245 E C 2.250 178.870 176.600 0.033 0.000 0.997 245 E CA 1.548 57.990 56.400 0.070 0.000 0.801 245 E CB -0.046 29.699 29.700 0.074 0.000 0.746 245 E HN 0.192 nan 8.360 nan 0.000 0.450 246 R N 0.445 120.962 120.500 0.028 0.000 2.193 246 R HA 0.004 3.805 4.340 -0.898 0.000 0.229 246 R C 2.002 178.315 176.300 0.021 0.000 1.110 246 R CA 0.859 56.977 56.100 0.030 0.000 0.988 246 R CB -0.337 29.995 30.300 0.054 0.000 0.871 246 R HN 0.292 nan 8.270 nan 0.000 0.458 247 L N -0.406 120.824 121.223 0.012 0.000 2.700 247 L HA 0.216 4.018 4.340 -0.898 0.000 0.234 247 L C 0.242 177.111 176.870 -0.002 0.000 1.156 247 L CA 0.030 54.870 54.840 -0.001 0.000 0.946 247 L CB 0.236 42.284 42.059 -0.019 0.000 1.216 247 L HN 0.082 nan 8.230 nan 0.000 0.493 248 S N -0.411 115.292 115.700 0.004 0.000 3.521 248 S HA -0.135 3.796 4.470 -0.898 0.000 0.328 248 S C 0.327 174.913 174.600 -0.023 0.000 1.165 248 S CA 0.251 58.454 58.200 0.005 0.000 0.941 248 S CB -1.252 61.959 63.200 0.020 0.000 0.951 248 S HN 0.164 nan 8.310 nan 0.000 0.539 249 V N 3.701 123.570 119.914 -0.074 0.000 2.368 249 V HA 0.276 3.857 4.120 -0.898 0.000 0.266 249 V C -1.424 174.596 176.094 -0.123 0.000 1.045 249 V CA -1.540 60.618 62.300 -0.238 0.000 0.899 249 V CB 0.889 32.499 31.823 -0.356 0.000 1.006 249 V HN 0.178 nan 8.190 nan 0.000 0.470 250 P HA 0.208 nan 4.420 nan 0.000 0.271 250 P C -1.310 175.987 177.300 -0.004 0.000 1.226 250 P CA 0.181 63.250 63.100 -0.052 0.000 0.765 250 P CB 0.419 32.094 31.700 -0.042 0.000 0.835 251 Y N -0.149 120.088 120.300 -0.105 0.000 2.638 251 Y HA 0.804 4.815 4.550 -0.899 0.000 0.339 251 Y C -1.125 174.756 175.900 -0.032 0.000 1.084 251 Y CA -1.780 56.276 58.100 -0.073 0.000 1.068 251 Y CB 1.465 39.874 38.460 -0.084 0.000 1.294 251 Y HN 0.315 nan 8.280 nan 0.000 0.480 252 E N 1.284 121.479 120.200 -0.007 0.000 2.275 252 E HA 0.474 4.285 4.350 -0.898 0.000 0.270 252 E C -2.094 174.563 176.600 0.095 0.000 0.882 252 E CA -0.769 55.580 56.400 -0.085 0.000 0.758 252 E CB 1.577 31.256 29.700 -0.035 0.000 1.195 252 E HN 0.759 nan 8.360 nan 0.000 0.419 253 L N 3.552 124.812 121.223 0.063 0.000 2.462 253 L HA 0.224 4.025 4.340 -0.898 0.000 0.272 253 L C -0.289 176.629 176.870 0.080 0.000 1.166 253 L CA 0.771 55.688 54.840 0.128 0.000 0.880 253 L CB 0.627 42.745 42.059 0.097 0.000 1.142 253 L HN 0.537 nan 8.230 nan 0.000 0.473 254 E N 6.704 126.960 120.200 0.094 0.000 2.255 254 E HA 0.271 4.082 4.350 -0.898 0.000 0.245 254 E C -1.840 174.793 176.600 0.054 0.000 0.909 254 E CA -1.646 54.795 56.400 0.068 0.000 0.747 254 E CB 1.490 31.243 29.700 0.088 0.000 1.215 254 E HN 0.388 nan 8.360 nan 0.000 0.424 255 P HA -0.087 nan 4.420 nan 0.000 0.225 255 P C 0.852 178.170 177.300 0.031 0.000 1.148 255 P CA 0.525 63.645 63.100 0.033 0.000 0.779 255 P CB 0.415 32.137 31.700 0.036 0.000 0.780 256 A N -0.394 122.445 122.820 0.032 0.000 2.169 256 A HA 0.066 3.847 4.320 -0.898 0.000 0.212 256 A C 1.302 178.902 177.584 0.027 0.000 1.153 256 A CA -0.016 52.038 52.037 0.029 0.000 0.756 256 A CB -0.855 18.158 19.000 0.021 0.000 0.813 256 A HN 0.186 nan 8.150 nan 0.000 0.471 257 L N 1.876 123.117 121.223 0.031 0.000 2.369 257 L HA 0.313 4.114 4.340 -0.898 0.000 0.279 257 L C -1.073 175.790 176.870 -0.011 0.000 1.108 257 L CA -0.229 54.624 54.840 0.022 0.000 0.852 257 L CB 0.999 43.085 42.059 0.045 0.000 1.169 257 L HN 0.110 nan 8.230 nan 0.000 0.452 258 V N 4.653 124.546 119.914 -0.035 0.000 3.040 258 V HA 0.634 4.215 4.120 -0.898 0.000 0.312 258 V C -0.587 175.436 176.094 -0.118 0.000 1.115 258 V CA -1.030 61.237 62.300 -0.056 0.000 0.998 258 V CB 2.390 34.203 31.823 -0.016 0.000 1.042 258 V HN 0.583 nan 8.190 nan 0.000 0.433 259 R N 1.575 121.994 120.500 -0.135 0.000 2.468 259 R HA 0.404 4.206 4.340 -0.898 0.000 0.302 259 R C 0.839 177.088 176.300 -0.085 0.000 1.041 259 R CA -0.120 55.831 56.100 -0.248 0.000 0.899 259 R CB 1.337 31.385 30.300 -0.420 0.000 1.167 259 R HN 0.972 nan 8.270 nan 0.000 0.483 260 G N 2.742 111.510 108.800 -0.054 0.000 2.421 260 G HA2 -0.050 3.372 3.960 -0.898 0.000 0.217 260 G HA3 -0.050 3.372 3.960 -0.898 0.000 0.217 260 G C 0.700 175.615 174.900 0.025 0.000 1.143 260 G CA 0.060 45.163 45.100 0.006 0.000 0.784 260 G HN 0.349 nan 8.290 nan 0.000 0.541 261 L N 1.304 122.551 121.223 0.040 0.000 2.485 261 L HA 0.068 3.869 4.340 -0.898 0.000 0.275 261 L C 0.968 177.782 176.870 -0.093 0.000 1.207 261 L CA -0.439 54.362 54.840 -0.064 0.000 0.855 261 L CB 0.628 42.511 42.059 -0.293 0.000 1.114 261 L HN 0.118 nan 8.230 nan 0.000 0.485 262 D N 1.421 121.779 120.400 -0.070 0.000 2.309 262 D HA -0.188 3.913 4.640 -0.898 0.000 0.212 262 D C 1.406 177.722 176.300 0.025 0.000 0.968 262 D CA 1.465 55.466 54.000 0.002 0.000 0.882 262 D CB 0.158 40.985 40.800 0.045 0.000 0.918 262 D HN 0.698 nan 8.370 nan 0.000 0.503 263 Y N -1.454 118.824 120.300 -0.036 0.000 2.466 263 Y HA 0.196 4.207 4.550 -0.898 0.000 0.272 263 Y C 0.176 176.014 175.900 -0.104 0.000 1.169 263 Y CA -0.802 57.240 58.100 -0.097 0.000 1.285 263 Y CB -0.944 37.418 38.460 -0.163 0.000 1.078 263 Y HN -0.195 nan 8.280 nan 0.000 0.523 264 Y N 1.043 121.317 120.300 -0.044 0.000 2.335 264 Y HA 0.475 4.487 4.550 -0.898 0.000 0.331 264 Y C -0.098 175.826 175.900 0.041 0.000 1.094 264 Y CA -0.547 57.575 58.100 0.037 0.000 1.253 264 Y CB 1.247 39.663 38.460 -0.073 0.000 1.203 264 Y HN -0.141 nan 8.280 nan 0.000 0.508 265 V N 4.554 124.597 119.914 0.215 0.000 3.007 265 V HA 0.460 4.041 4.120 -0.898 0.000 0.311 265 V C 0.027 176.157 176.094 0.060 0.000 1.120 265 V CA -1.100 61.257 62.300 0.095 0.000 0.980 265 V CB 1.990 33.836 31.823 0.037 0.000 1.033 265 V HN 0.975 nan 8.190 nan 0.000 0.429 266 R N 1.064 121.570 120.500 0.011 0.000 3.657 266 R HA -0.218 3.583 4.340 -0.898 0.000 0.533 266 R C 0.291 176.635 176.300 0.072 0.000 0.241 266 R CA 1.545 57.642 56.100 -0.005 0.000 1.659 266 R CB -1.792 28.407 30.300 -0.168 0.000 0.920 266 R HN 0.768 nan 8.270 nan 0.000 0.599 267 T N 1.310 115.935 114.554 0.118 0.000 2.830 267 T HA 0.261 4.072 4.350 -0.898 0.000 0.282 267 T C 0.105 174.938 174.700 0.222 0.000 1.024 267 T CA 0.807 63.027 62.100 0.200 0.000 1.144 267 T CB 0.335 69.365 68.868 0.270 0.000 1.035 267 T HN 0.601 nan 8.240 nan 0.000 0.507 268 A N 2.950 125.906 122.820 0.226 0.000 2.520 268 A HA 0.851 4.633 4.320 -0.898 0.000 0.298 268 A C -0.914 176.822 177.584 0.254 0.000 1.051 268 A CA -1.099 51.022 52.037 0.140 0.000 0.690 268 A CB 1.341 20.357 19.000 0.026 0.000 1.281 268 A HN 0.909 nan 8.150 nan 0.000 0.402 269 F N -0.966 119.022 119.950 0.063 0.000 2.741 269 F HA 0.881 4.868 4.527 -0.900 0.000 0.311 269 F C -0.906 174.918 175.800 0.040 0.000 1.149 269 F CA -0.653 57.380 58.000 0.054 0.000 0.930 269 F CB 1.062 40.091 39.000 0.048 0.000 1.312 269 F HN 0.604 nan 8.300 nan 0.000 0.450 270 E N 0.636 120.957 120.200 0.203 0.000 2.412 270 E HA 0.665 4.476 4.350 -0.898 0.000 0.279 270 E C -1.981 174.648 176.600 0.047 0.000 0.984 270 E CA -1.196 55.210 56.400 0.009 0.000 0.788 270 E CB 3.359 32.981 29.700 -0.130 0.000 1.277 270 E HN 0.560 nan 8.360 nan 0.000 0.455 271 V N 2.782 122.645 119.914 -0.085 0.000 2.407 271 V HA 0.336 3.917 4.120 -0.898 0.000 0.291 271 V C -0.559 175.431 176.094 -0.174 0.000 1.018 271 V CA -0.769 61.517 62.300 -0.023 0.000 0.842 271 V CB 1.212 33.060 31.823 0.041 0.000 0.996 271 V HN 0.593 nan 8.190 nan 0.000 0.426 272 H N 3.804 122.928 119.070 0.090 0.000 2.567 272 H HA 0.627 4.643 4.556 -0.899 0.000 0.345 272 H C -0.828 174.567 175.328 0.110 0.000 1.169 272 H CA -0.337 55.759 56.048 0.080 0.000 1.227 272 H CB 2.526 32.319 29.762 0.052 0.000 1.607 272 H HN 0.747 nan 8.280 nan 0.000 0.534 281 A N 2.481 125.390 122.820 0.149 0.000 2.451 281 A HA 0.710 4.491 4.320 -0.898 0.000 0.266 281 A C 1.015 178.571 177.584 -0.047 0.000 1.119 281 A CA -0.358 51.625 52.037 -0.090 0.000 0.786 281 A CB -0.150 18.747 19.000 -0.171 0.000 1.061 281 A HN 0.527 nan 8.150 nan 0.000 0.503 282 L N 2.482 123.664 121.223 -0.067 0.000 2.307 282 L HA 0.288 4.090 4.340 -0.898 0.000 0.211 282 L C 1.317 178.204 176.870 0.029 0.000 1.099 282 L CA 0.895 55.709 54.840 -0.043 0.000 0.816 282 L CB -0.266 41.723 42.059 -0.116 0.000 0.952 282 L HN 0.849 nan 8.230 nan 0.000 0.455 283 G N -1.578 107.228 108.800 0.011 0.000 2.451 283 G HA2 0.531 3.952 3.960 -0.898 0.000 0.292 283 G HA3 0.531 3.952 3.960 -0.898 0.000 0.292 283 G C -1.346 173.565 174.900 0.017 0.000 1.427 283 G CA 0.011 45.181 45.100 0.117 0.000 0.792 283 G HN 0.152 nan 8.290 nan 0.000 0.498 284 G N -2.225 106.591 108.800 0.026 0.000 2.342 284 G HA2 0.929 4.350 3.960 -0.898 0.000 0.297 284 G HA3 0.929 4.350 3.960 -0.898 0.000 0.297 284 G C -0.123 174.558 174.900 -0.365 0.000 1.313 284 G CA 0.979 45.936 45.100 -0.237 0.000 0.830 284 G HN 2.294 nan 8.290 nan 0.000 0.506 285 G N -2.223 106.022 108.800 -0.925 0.000 2.498 285 G HA2 0.884 4.305 3.960 -0.898 0.000 0.181 285 G HA3 0.884 4.305 3.960 -0.898 0.000 0.181 285 G C 0.072 174.675 174.900 -0.496 0.000 1.169 285 G CA 1.232 46.025 45.100 -0.512 0.000 0.992 285 G HN 2.618 nan 8.290 nan 0.000 0.490 286 G N -1.165 107.675 108.800 0.067 0.000 2.356 286 G HA2 0.528 3.950 3.960 -0.898 0.000 0.288 286 G HA3 0.528 3.950 3.960 -0.898 0.000 0.288 286 G C -1.081 174.050 174.900 0.386 0.000 1.302 286 G CA 0.059 45.345 45.100 0.310 0.000 0.887 286 G HN 0.797 nan 8.290 nan 0.000 0.521 287 R N -0.538 120.126 120.500 0.274 0.000 2.441 287 R HA 0.610 4.411 4.340 -0.898 0.000 0.284 287 R C -0.533 175.880 176.300 0.188 0.000 1.070 287 R CA -0.497 55.649 56.100 0.077 0.000 1.047 287 R CB 0.376 30.689 30.300 0.022 0.000 1.016 287 R HN 0.963 nan 8.270 nan 0.000 0.477 288 Y N 1.425 121.807 120.300 0.137 0.000 2.569 288 Y HA 0.319 4.330 4.550 -0.899 0.000 0.310 288 Y C -0.540 175.372 175.900 0.020 0.000 1.021 288 Y CA -1.152 57.010 58.100 0.103 0.000 1.152 288 Y CB 0.173 38.680 38.460 0.078 0.000 1.140 288 Y HN 0.559 nan 8.280 nan 0.000 0.621 289 D N 1.561 121.950 120.400 -0.019 0.000 2.265 289 D HA -0.096 4.005 4.640 -0.898 0.000 0.208 289 D C 1.914 178.220 176.300 0.010 0.000 0.977 289 D CA 1.830 55.803 54.000 -0.045 0.000 0.871 289 D CB -0.001 40.765 40.800 -0.057 0.000 0.925 289 D HN 0.821 nan 8.370 nan 0.000 0.485 290 G N -0.070 108.772 108.800 0.070 0.000 3.189 290 G HA2 0.034 3.456 3.960 -0.898 0.000 0.225 290 G HA3 0.034 3.456 3.960 -0.898 0.000 0.225 290 G C 1.334 176.209 174.900 -0.040 0.000 1.159 290 G CA -0.236 44.889 45.100 0.042 0.000 0.763 290 G HN 0.168 nan 8.290 nan 0.000 0.549 291 L N 0.743 121.879 121.223 -0.145 0.000 2.093 291 L HA 0.089 3.890 4.340 -0.898 0.000 0.208 291 L C 2.739 179.452 176.870 -0.262 0.000 1.085 291 L CA 2.170 56.743 54.840 -0.444 0.000 0.755 291 L CB -0.527 41.131 42.059 -0.667 0.000 0.904 291 L HN 0.182 nan 8.230 nan 0.000 0.435 292 S N -0.519 115.093 115.700 -0.147 0.000 2.353 292 S HA -0.248 3.684 4.470 -0.898 0.000 0.222 292 S C 1.914 176.456 174.600 -0.095 0.000 1.035 292 S CA 1.762 59.894 58.200 -0.113 0.000 1.025 292 S CB -0.315 62.838 63.200 -0.078 0.000 0.902 292 S HN 0.639 nan 8.310 nan 0.000 0.440 293 E N 0.614 120.770 120.200 -0.073 0.000 2.153 293 E HA -0.090 3.722 4.350 -0.898 0.000 0.194 293 E C 2.014 178.575 176.600 -0.065 0.000 0.988 293 E CA 0.875 57.242 56.400 -0.054 0.000 0.811 293 E CB -0.210 29.470 29.700 -0.032 0.000 0.746 293 E HN 0.359 nan 8.360 nan 0.000 0.466 294 L N 0.775 121.944 121.223 -0.090 0.000 2.191 294 L HA -0.136 3.665 4.340 -0.898 0.000 0.212 294 L C 1.591 178.397 176.870 -0.107 0.000 1.103 294 L CA 1.644 56.428 54.840 -0.093 0.000 0.769 294 L CB -0.314 41.660 42.059 -0.141 0.000 0.908 294 L HN 0.238 nan 8.230 nan 0.000 0.438 295 L N -0.967 120.179 121.223 -0.129 0.000 2.592 295 L HA 0.208 4.010 4.340 -0.898 0.000 0.227 295 L C 1.445 178.256 176.870 -0.099 0.000 1.127 295 L CA 0.653 55.416 54.840 -0.130 0.000 0.884 295 L CB -0.159 41.803 42.059 -0.160 0.000 1.065 295 L HN 0.492 nan 8.230 nan 0.000 0.457 296 G N -0.251 108.502 108.800 -0.079 0.000 2.184 296 G HA2 -0.181 3.240 3.960 -0.898 0.000 0.206 296 G HA3 -0.181 3.240 3.960 -0.898 0.000 0.206 296 G C 0.420 175.287 174.900 -0.055 0.000 0.995 296 G CA -0.295 44.768 45.100 -0.063 0.000 0.651 296 G HN 0.480 nan 8.290 nan 0.000 0.511 297 G N 0.007 108.774 108.800 -0.056 0.000 2.531 297 G HA2 0.807 4.228 3.960 -0.898 0.000 0.313 297 G HA3 0.807 4.228 3.960 -0.898 0.000 0.313 297 G C -1.573 173.310 174.900 -0.027 0.000 1.238 297 G CA -0.623 44.453 45.100 -0.039 0.000 0.994 297 G HN 0.238 nan 8.290 nan 0.000 0.493 298 P HA 0.151 nan 4.420 nan 0.000 0.286 298 P C -0.371 176.924 177.300 -0.008 0.000 1.293 298 P CA -0.622 62.474 63.100 -0.007 0.000 0.770 298 P CB 0.797 32.499 31.700 0.003 0.000 1.206 299 R N -0.086 120.410 120.500 -0.007 0.000 2.401 299 R HA 0.316 4.117 4.340 -0.898 0.000 0.299 299 R C -1.251 175.038 176.300 -0.019 0.000 1.064 299 R CA -0.049 56.042 56.100 -0.015 0.000 1.000 299 R CB -0.181 30.112 30.300 -0.011 0.000 0.973 299 R HN 0.223 nan 8.270 nan 0.000 0.438 300 V N 7.766 127.650 119.914 -0.051 0.000 2.445 300 V HA 0.276 3.858 4.120 -0.898 0.000 0.283 300 V C -2.246 173.763 176.094 -0.142 0.000 1.014 300 V CA -1.882 60.358 62.300 -0.100 0.000 0.852 300 V CB 1.693 33.412 31.823 -0.173 0.000 1.021 300 V HN 0.856 nan 8.190 nan 0.000 0.435 301 P HA 0.426 nan 4.420 nan 0.000 0.268 301 P C 0.166 177.296 177.300 -0.284 0.000 1.205 301 P CA 0.377 63.375 63.100 -0.170 0.000 0.771 301 P CB 0.872 32.509 31.700 -0.105 0.000 0.858 302 G N 0.148 108.655 108.800 -0.488 0.000 2.718 302 G HA2 0.589 4.010 3.960 -0.898 0.000 0.295 302 G HA3 0.589 4.010 3.960 -0.898 0.000 0.295 302 G C -1.951 172.355 174.900 -0.990 0.000 1.421 302 G CA -0.603 44.019 45.100 -0.796 0.000 0.902 302 G HN 0.542 nan 8.290 nan 0.000 0.501 303 V N 0.021 119.619 119.914 -0.528 0.000 3.000 303 V HA 0.973 4.554 4.120 -0.898 0.000 0.300 303 V C 0.023 176.233 176.094 0.193 0.000 1.251 303 V CA 0.814 63.054 62.300 -0.101 0.000 0.972 303 V CB 1.818 33.679 31.823 0.063 0.000 1.065 303 V HN 2.140 nan 8.190 nan 0.000 0.431 304 G N 3.959 113.025 108.800 0.442 0.000 2.428 304 G HA2 0.733 4.154 3.960 -0.898 0.000 0.305 304 G HA3 0.733 4.154 3.960 -0.898 0.000 0.305 304 G C -1.486 173.765 174.900 0.584 0.000 1.260 304 G CA 0.110 45.475 45.100 0.441 0.000 0.853 304 G HN 1.901 nan 8.290 nan 0.000 0.480 305 F N -2.275 117.930 119.950 0.426 0.000 2.779 305 F HA 0.930 4.919 4.527 -0.896 0.000 0.316 305 F C -0.515 175.415 175.800 0.217 0.000 1.164 305 F CA -0.959 57.216 58.000 0.291 0.000 0.924 305 F CB 1.397 40.659 39.000 0.436 0.000 1.348 305 F HN 1.431 nan 8.300 nan 0.000 0.467 306 A N 1.267 124.396 122.820 0.514 0.000 2.549 306 A HA 0.854 4.635 4.320 -0.898 0.000 0.297 306 A C -1.985 175.840 177.584 0.401 0.000 1.061 306 A CA -0.610 51.608 52.037 0.301 0.000 0.690 306 A CB 1.519 20.602 19.000 0.137 0.000 1.287 306 A HN 1.538 nan 8.150 nan 0.000 0.402 307 F N -0.230 119.889 119.950 0.283 0.000 2.601 307 F HA 0.789 4.782 4.527 -0.889 0.000 0.309 307 F C 0.152 176.026 175.800 0.124 0.000 1.089 307 F CA -1.120 56.977 58.000 0.162 0.000 0.940 307 F CB 1.157 40.231 39.000 0.124 0.000 1.273 307 F HN 0.816 nan 8.300 nan 0.000 0.450 308 G N 1.822 110.847 108.800 0.375 0.000 2.355 308 G HA2 0.437 3.858 3.960 -0.898 0.000 0.276 308 G HA3 0.437 3.858 3.960 -0.898 0.000 0.276 308 G C 0.405 175.466 174.900 0.268 0.000 1.198 308 G CA -0.548 44.707 45.100 0.259 0.000 0.876 308 G HN 0.763 nan 8.290 nan 0.000 0.478 309 V N 2.807 122.825 119.914 0.173 0.000 2.332 309 V HA -0.188 3.393 4.120 -0.898 0.000 0.248 309 V C 2.693 178.704 176.094 -0.139 0.000 1.055 309 V CA 2.275 64.575 62.300 -0.001 0.000 1.038 309 V CB -0.462 31.216 31.823 -0.242 0.000 0.651 309 V HN 0.720 nan 8.190 nan 0.000 0.450 310 E N -0.272 119.868 120.200 -0.099 0.000 2.110 310 E HA -0.142 3.669 4.350 -0.898 0.000 0.193 310 E C 2.433 179.063 176.600 0.050 0.000 0.988 310 E CA 0.759 57.151 56.400 -0.012 0.000 0.804 310 E CB -0.257 29.405 29.700 -0.064 0.000 0.745 310 E HN 0.370 nan 8.360 nan 0.000 0.458 311 R N 0.196 120.724 120.500 0.047 0.000 2.081 311 R HA -0.071 3.731 4.340 -0.898 0.000 0.235 311 R C 2.309 178.586 176.300 -0.038 0.000 1.131 311 R CA 0.988 57.106 56.100 0.030 0.000 0.960 311 R CB -0.901 29.418 30.300 0.032 0.000 0.856 311 R HN 0.172 nan 8.270 nan 0.000 0.436 312 V N 1.223 121.096 119.914 -0.068 0.000 2.358 312 V HA -0.193 3.388 4.120 -0.898 0.000 0.246 312 V C 2.560 178.556 176.094 -0.163 0.000 1.047 312 V CA 1.785 63.979 62.300 -0.177 0.000 1.035 312 V CB -0.855 30.831 31.823 -0.229 0.000 0.658 312 V HN 0.321 nan 8.190 nan 0.000 0.452 313 A N -0.432 122.335 122.820 -0.089 0.000 1.940 313 A HA -0.166 3.615 4.320 -0.898 0.000 0.219 313 A C 2.233 179.800 177.584 -0.027 0.000 1.176 313 A CA 1.753 53.766 52.037 -0.040 0.000 0.631 313 A CB -0.501 18.529 19.000 0.051 0.000 0.814 313 A HN 0.505 nan 8.150 nan 0.000 0.446 314 L N -1.042 120.175 121.223 -0.010 0.000 2.056 314 L HA -0.158 3.644 4.340 -0.898 0.000 0.207 314 L C 3.116 179.957 176.870 -0.048 0.000 1.078 314 L CA 0.957 55.800 54.840 0.006 0.000 0.749 314 L CB -0.485 41.599 42.059 0.042 0.000 0.901 314 L HN 0.441 nan 8.230 nan 0.000 0.433 315 A N 0.043 122.777 122.820 -0.144 0.000 1.902 315 A HA -0.191 3.590 4.320 -0.898 0.000 0.217 315 A C 2.237 179.646 177.584 -0.292 0.000 1.181 315 A CA 1.454 53.301 52.037 -0.317 0.000 0.623 315 A CB -0.702 17.930 19.000 -0.612 0.000 0.818 315 A HN 0.352 nan 8.150 nan 0.000 0.443 316 L N -0.927 120.131 121.223 -0.275 0.000 2.017 316 L HA -0.219 3.583 4.340 -0.898 0.000 0.208 316 L C 2.713 179.581 176.870 -0.004 0.000 1.073 316 L CA 1.904 56.582 54.840 -0.271 0.000 0.745 316 L CB -0.503 41.377 42.059 -0.299 0.000 0.894 316 L HN 0.619 nan 8.230 nan 0.000 0.432 317 E N 0.333 120.541 120.200 0.014 0.000 2.058 317 E HA -0.273 3.538 4.350 -0.898 0.000 0.194 317 E C 2.179 178.828 176.600 0.081 0.000 0.997 317 E CA 1.318 57.758 56.400 0.066 0.000 0.801 317 E CB -0.019 29.709 29.700 0.046 0.000 0.746 317 E HN 0.464 nan 8.360 nan 0.000 0.450 318 A N 1.080 123.939 122.820 0.065 0.000 1.940 318 A HA -0.199 3.582 4.320 -0.898 0.000 0.219 318 A C 1.802 179.465 177.584 0.132 0.000 1.176 318 A CA 1.553 53.648 52.037 0.096 0.000 0.631 318 A CB -0.423 18.651 19.000 0.123 0.000 0.814 318 A HN 0.334 nan 8.150 nan 0.000 0.446 319 E N -1.568 118.732 120.200 0.166 0.000 2.502 319 E HA 0.212 4.023 4.350 -0.898 0.000 0.194 319 E C 1.183 177.930 176.600 0.246 0.000 1.062 319 E CA 0.305 56.846 56.400 0.235 0.000 0.867 319 E CB -0.153 29.732 29.700 0.309 0.000 0.888 319 E HN 0.771 nan 8.360 nan 0.000 0.510 320 G N 1.335 110.249 108.800 0.190 0.000 2.176 320 G HA2 -0.284 3.137 3.960 -0.898 0.000 0.253 320 G HA3 -0.284 3.137 3.960 -0.898 0.000 0.253 320 G C 0.072 175.043 174.900 0.118 0.000 0.979 320 G CA -0.323 44.847 45.100 0.117 0.000 0.641 320 G HN 0.224 nan 8.290 nan 0.000 0.530 321 F N 2.288 122.234 119.950 -0.008 0.000 2.539 321 F HA 0.423 4.944 4.527 -0.009 0.000 0.393 321 F C 1.449 177.243 175.800 -0.011 0.000 1.032 321 F CA 1.053 59.045 58.000 -0.014 0.000 1.120 321 F CB 0.454 39.439 39.000 -0.025 0.000 1.014 321 F HN 0.277 nan 8.300 nan 0.000 0.546 322 G N 3.723 112.554 108.800 0.051 0.000 2.471 322 G HA2 0.605 4.027 3.960 -0.898 0.000 0.332 322 G HA3 0.605 4.027 3.960 -0.898 0.000 0.332 322 G C -1.759 173.165 174.900 0.041 0.000 1.176 322 G CA -0.684 44.439 45.100 0.039 0.000 0.949 322 G HN 0.407 nan 8.290 nan 0.000 0.488 323 L N 1.842 123.085 121.223 0.034 0.000 2.329 323 L HA 0.554 4.355 4.340 -0.898 0.000 0.279 323 L C -1.632 175.246 176.870 0.013 0.000 1.014 323 L CA -1.949 52.910 54.840 0.032 0.000 0.814 323 L CB 1.711 43.791 42.059 0.036 0.000 1.257 323 L HN 0.383 nan 8.230 nan 0.000 0.424 324 P HA 0.084 nan 4.420 nan 0.000 0.272 324 P C -0.830 176.473 177.300 0.005 0.000 1.248 324 P CA -0.393 62.709 63.100 0.003 0.000 0.799 324 P CB 0.479 32.181 31.700 0.003 0.000 0.997 325 E N 0.065 120.267 120.200 0.002 0.000 2.373 325 E HA 0.108 3.920 4.350 -0.898 0.000 0.263 325 E C 0.083 176.687 176.600 0.007 0.000 1.073 325 E CA -0.422 55.980 56.400 0.003 0.000 0.894 325 E CB 0.285 29.984 29.700 -0.002 0.000 1.008 325 E HN 0.407 nan 8.360 nan 0.000 0.420 326 E N 1.770 121.976 120.200 0.010 0.000 2.465 326 E HA -0.077 3.734 4.350 -0.898 0.000 0.260 326 E C -0.134 176.473 176.600 0.011 0.000 0.980 326 E CA 0.211 56.620 56.400 0.015 0.000 0.927 326 E CB 0.449 30.161 29.700 0.020 0.000 0.934 326 E HN 0.183 nan 8.360 nan 0.000 0.459 327 K N 2.591 123.001 120.400 0.016 0.000 2.355 327 K HA 0.236 4.017 4.320 -0.898 0.000 0.270 327 K C 0.145 176.754 176.600 0.015 0.000 1.003 327 K CA 0.247 56.544 56.287 0.016 0.000 0.957 327 K CB 0.494 33.007 32.500 0.023 0.000 0.939 327 K HN 0.665 nan 8.250 nan 0.000 0.482 328 G N 2.887 111.696 108.800 0.014 0.000 2.511 328 G HA2 0.374 3.795 3.960 -0.898 0.000 0.316 328 G HA3 0.374 3.795 3.960 -0.898 0.000 0.316 328 G C -2.490 172.434 174.900 0.039 0.000 1.210 328 G CA -1.215 43.892 45.100 0.012 0.000 0.969 328 G HN 0.489 nan 8.290 nan 0.000 0.492 329 P HA 0.143 nan 4.420 nan 0.000 0.272 329 P C -0.289 177.080 177.300 0.115 0.000 1.230 329 P CA -0.248 62.906 63.100 0.090 0.000 0.788 329 P CB 1.467 33.241 31.700 0.124 0.000 0.949 330 D N -0.129 120.347 120.400 0.128 0.000 2.224 330 D HA 0.008 4.109 4.640 -0.898 0.000 0.205 330 D C 0.504 176.946 176.300 0.237 0.000 0.965 330 D CA 1.425 55.529 54.000 0.173 0.000 0.852 330 D CB 0.077 40.961 40.800 0.140 0.000 0.947 330 D HN 0.171 nan 8.370 nan 0.000 0.494 331 L N -0.183 121.154 121.223 0.190 0.000 2.505 331 L HA 0.322 4.124 4.340 -0.898 0.000 0.266 331 L C -2.014 174.973 176.870 0.195 0.000 0.954 331 L CA -0.979 53.979 54.840 0.198 0.000 0.852 331 L CB 2.141 44.273 42.059 0.121 0.000 1.282 331 L HN -0.214 nan 8.230 nan 0.000 0.403 332 Y N 5.516 125.845 120.300 0.047 0.000 2.388 332 Y HA 0.609 4.621 4.550 -0.897 0.000 0.328 332 Y C -1.173 174.693 175.900 -0.056 0.000 0.963 332 Y CA -0.680 57.419 58.100 -0.002 0.000 1.240 332 Y CB 1.112 39.559 38.460 -0.022 0.000 1.118 332 Y HN 0.598 nan 8.280 nan 0.000 0.484 333 L N 7.028 128.011 121.223 -0.401 0.000 2.319 333 L HA 0.318 4.120 4.340 -0.898 0.000 0.280 333 L C -0.843 175.756 176.870 -0.451 0.000 1.099 333 L CA -0.369 54.270 54.840 -0.336 0.000 0.828 333 L CB 0.578 42.546 42.059 -0.152 0.000 1.150 333 L HN 0.527 nan 8.230 nan 0.000 0.442 334 I N 6.237 126.559 120.570 -0.414 0.000 2.359 334 I HA 0.303 3.934 4.170 -0.898 0.000 0.284 334 I C -2.103 173.936 176.117 -0.131 0.000 1.018 334 I CA -2.023 59.101 61.300 -0.294 0.000 1.173 334 I CB 1.222 39.002 38.000 -0.366 0.000 1.326 334 I HN 0.318 nan 8.210 nan 0.000 0.462 335 P HA 0.233 nan 4.420 nan 0.000 0.280 335 P C 0.357 177.671 177.300 0.023 0.000 1.244 335 P CA -0.234 62.850 63.100 -0.026 0.000 0.784 335 P CB 1.572 33.245 31.700 -0.045 0.000 0.913 336 L N 1.491 122.744 121.223 0.050 0.000 2.354 336 L HA 0.096 3.897 4.340 -0.898 0.000 0.212 336 L C 1.509 178.402 176.870 0.039 0.000 1.091 336 L CA 0.870 55.750 54.840 0.067 0.000 0.828 336 L CB -0.327 41.787 42.059 0.092 0.000 0.973 336 L HN 0.469 nan 8.230 nan 0.000 0.461 337 T N -4.936 109.631 114.554 0.022 0.000 2.940 337 T HA 0.249 4.060 4.350 -0.898 0.000 0.288 337 T C 0.577 175.277 174.700 -0.001 0.000 1.045 337 T CA -0.612 61.495 62.100 0.012 0.000 1.018 337 T CB 2.451 71.325 68.868 0.010 0.000 1.151 337 T HN -0.129 nan 8.240 nan 0.000 0.529 338 E N 0.134 120.332 120.200 -0.003 0.000 2.106 338 E HA -0.127 3.685 4.350 -0.898 0.000 0.192 338 E C 1.886 178.472 176.600 -0.024 0.000 0.984 338 E CA 1.462 57.855 56.400 -0.012 0.000 0.806 338 E CB -0.135 29.561 29.700 -0.007 0.000 0.750 338 E HN 0.816 nan 8.360 nan 0.000 0.458 339 E N -0.693 119.497 120.200 -0.016 0.000 2.208 339 E HA -0.123 3.688 4.350 -0.898 0.000 0.193 339 E C 1.622 178.197 176.600 -0.041 0.000 0.988 339 E CA 0.793 57.182 56.400 -0.019 0.000 0.828 339 E CB -0.092 29.607 29.700 -0.002 0.000 0.763 339 E HN 0.312 nan 8.360 nan 0.000 0.478 340 A N 0.415 123.212 122.820 -0.039 0.000 2.119 340 A HA -0.023 3.758 4.320 -0.898 0.000 0.217 340 A C 2.227 179.746 177.584 -0.108 0.000 1.153 340 A CA 0.563 52.566 52.037 -0.056 0.000 0.692 340 A CB -0.197 18.787 19.000 -0.026 0.000 0.799 340 A HN 0.190 nan 8.150 nan 0.000 0.458 341 V N -0.001 119.849 119.914 -0.106 0.000 2.287 341 V HA -0.303 3.279 4.120 -0.898 0.000 0.248 341 V C 3.059 178.992 176.094 -0.267 0.000 1.053 341 V CA 2.097 64.312 62.300 -0.141 0.000 1.027 341 V CB -1.214 30.554 31.823 -0.093 0.000 0.646 341 V HN 0.599 nan 8.190 nan 0.000 0.447 342 A N -0.426 122.223 122.820 -0.285 0.000 1.902 342 A HA -0.182 3.599 4.320 -0.898 0.000 0.217 342 A C 2.165 179.226 177.584 -0.871 0.000 1.181 342 A CA 1.561 53.288 52.037 -0.517 0.000 0.623 342 A CB -0.412 18.368 19.000 -0.367 0.000 0.818 342 A HN 0.539 nan 8.150 nan 0.000 0.443 343 E N 0.136 120.059 120.200 -0.462 0.000 2.153 343 E HA -0.114 3.697 4.350 -0.898 0.000 0.194 343 E C 2.233 178.680 176.600 -0.255 0.000 0.988 343 E CA 1.152 57.391 56.400 -0.268 0.000 0.811 343 E CB -0.602 29.057 29.700 -0.068 0.000 0.746 343 E HN 0.599 nan 8.360 nan 0.000 0.466 344 A N 0.945 123.597 122.820 -0.281 0.000 1.930 344 A HA -0.149 3.632 4.320 -0.898 0.000 0.217 344 A C 2.009 179.367 177.584 -0.378 0.000 1.175 344 A CA 1.067 52.953 52.037 -0.252 0.000 0.627 344 A CB -0.656 18.215 19.000 -0.215 0.000 0.815 344 A HN 0.277 nan 8.150 nan 0.000 0.443 345 F N -0.129 119.326 119.950 -0.826 0.000 2.146 345 F HA -0.144 3.844 4.527 -0.898 0.000 0.298 345 F C 2.082 177.688 175.800 -0.324 0.000 1.096 345 F CA 1.236 58.690 58.000 -0.909 0.000 1.275 345 F CB -0.800 37.651 39.000 -0.915 0.000 1.008 345 F HN 0.376 nan 8.300 nan 0.000 0.480 346 Y N -0.584 119.450 120.300 -0.442 0.000 2.181 346 Y HA -0.228 3.783 4.550 -0.898 0.000 0.288 346 Y C 2.370 178.090 175.900 -0.301 0.000 1.146 346 Y CA 0.611 58.435 58.100 -0.460 0.000 1.164 346 Y CB -0.512 37.795 38.460 -0.256 0.000 0.982 346 Y HN 0.242 nan 8.280 nan 0.000 0.515 347 L N 0.593 121.781 121.223 -0.058 0.000 2.027 347 L HA -0.096 3.706 4.340 -0.898 0.000 0.206 347 L C 2.437 179.279 176.870 -0.046 0.000 1.074 347 L CA 1.909 56.721 54.840 -0.046 0.000 0.745 347 L CB -1.086 40.948 42.059 -0.042 0.000 0.898 347 L HN 0.102 nan 8.230 nan 0.000 0.433 348 A N -0.919 121.878 122.820 -0.037 0.000 1.908 348 A HA -0.196 3.585 4.320 -0.898 0.000 0.218 348 A C 2.214 179.810 177.584 0.020 0.000 1.181 348 A CA 1.693 53.760 52.037 0.049 0.000 0.627 348 A CB -0.656 18.477 19.000 0.221 0.000 0.818 348 A HN 0.518 nan 8.150 nan 0.000 0.445 349 E N -0.184 119.970 120.200 -0.076 0.000 2.153 349 E HA -0.104 3.707 4.350 -0.898 0.000 0.194 349 E C 2.179 178.736 176.600 -0.070 0.000 0.988 349 E CA 1.096 57.437 56.400 -0.099 0.000 0.811 349 E CB -0.375 29.142 29.700 -0.304 0.000 0.746 349 E HN 0.566 nan 8.360 nan 0.000 0.466 350 A N 0.118 122.894 122.820 -0.073 0.000 2.119 350 A HA -0.030 3.751 4.320 -0.898 0.000 0.217 350 A C 2.125 179.693 177.584 -0.025 0.000 1.153 350 A CA 0.574 52.580 52.037 -0.052 0.000 0.692 350 A CB -0.198 18.770 19.000 -0.052 0.000 0.799 350 A HN 0.187 nan 8.150 nan 0.000 0.458 351 L N -1.273 119.943 121.223 -0.011 0.000 2.513 351 L HA 0.155 3.957 4.340 -0.898 0.000 0.222 351 L C 0.841 177.721 176.870 0.016 0.000 1.096 351 L CA -0.109 54.733 54.840 0.003 0.000 0.857 351 L CB -0.006 42.059 42.059 0.010 0.000 1.026 351 L HN 0.204 nan 8.230 nan 0.000 0.469 352 R N 0.898 121.411 120.500 0.022 0.000 2.528 352 R HA 0.208 4.009 4.340 -0.898 0.000 0.271 352 R C -1.511 174.802 176.300 0.022 0.000 1.056 352 R CA -1.271 54.849 56.100 0.034 0.000 1.117 352 R CB 0.378 30.710 30.300 0.053 0.000 1.085 352 R HN -0.149 nan 8.270 nan 0.000 0.530 353 P HA 0.069 nan 4.420 nan 0.000 0.268 353 P C 0.501 177.819 177.300 0.030 0.000 1.329 353 P CA 0.201 63.321 63.100 0.033 0.000 0.899 353 P CB 0.377 32.097 31.700 0.033 0.000 1.378 354 R N -0.329 120.185 120.500 0.023 0.000 2.120 354 R HA -0.043 3.758 4.340 -0.898 0.000 0.234 354 R C 0.091 176.407 176.300 0.027 0.000 1.123 354 R CA 0.909 57.022 56.100 0.021 0.000 0.975 354 R CB -0.134 30.174 30.300 0.014 0.000 0.866 354 R HN 0.105 nan 8.270 nan 0.000 0.446 355 L N 0.276 121.517 121.223 0.031 0.000 2.354 355 L HA 0.393 4.194 4.340 -0.898 0.000 0.269 355 L C -0.572 176.329 176.870 0.052 0.000 1.005 355 L CA -0.848 54.016 54.840 0.041 0.000 0.819 355 L CB 1.787 43.866 42.059 0.034 0.000 1.311 355 L HN -0.022 nan 8.230 nan 0.000 0.423 356 R N 2.227 122.765 120.500 0.064 0.000 2.205 356 R HA 0.725 4.526 4.340 -0.898 0.000 0.342 356 R C -1.157 175.196 176.300 0.089 0.000 1.058 356 R CA -0.223 55.920 56.100 0.071 0.000 0.904 356 R CB 0.462 30.803 30.300 0.068 0.000 1.089 356 R HN 0.718 nan 8.270 nan 0.000 0.471 357 A N 4.668 127.543 122.820 0.093 0.000 2.319 357 A HA 0.419 4.200 4.320 -0.898 0.000 0.310 357 A C -0.945 176.714 177.584 0.125 0.000 1.152 357 A CA -0.725 51.377 52.037 0.108 0.000 0.783 357 A CB 1.148 20.203 19.000 0.091 0.000 1.184 357 A HN 0.828 nan 8.150 nan 0.000 0.474 358 E N 0.189 120.457 120.200 0.114 0.000 2.299 358 E HA 0.713 4.524 4.350 -0.898 0.000 0.260 358 E C -1.538 174.982 176.600 -0.133 0.000 0.944 358 E CA -0.664 55.748 56.400 0.021 0.000 0.815 358 E CB 2.223 32.000 29.700 0.128 0.000 1.252 358 E HN 0.724 nan 8.360 nan 0.000 0.418 359 Y N -2.141 118.014 120.300 -0.241 0.000 2.581 359 Y HA 0.715 4.726 4.550 -0.897 0.000 0.337 359 Y C -1.187 174.499 175.900 -0.357 0.000 1.108 359 Y CA -1.510 56.312 58.100 -0.464 0.000 1.033 359 Y CB 0.565 38.892 38.460 -0.221 0.000 1.318 359 Y HN 0.516 nan 8.280 nan 0.000 0.459 360 A N 2.673 125.349 122.820 -0.239 0.000 2.340 360 A HA 0.503 4.284 4.320 -0.898 0.000 0.268 360 A C 0.275 177.925 177.584 0.110 0.000 1.100 360 A CA -0.701 51.317 52.037 -0.032 0.000 0.803 360 A CB 0.445 19.447 19.000 0.003 0.000 1.043 360 A HN 1.058 nan 8.150 nan 0.000 0.488 361 L N 0.635 121.907 121.223 0.082 0.000 2.509 361 L HA 0.200 4.002 4.340 -0.898 0.000 0.222 361 L C 1.084 177.976 176.870 0.036 0.000 1.123 361 L CA 0.767 55.660 54.840 0.088 0.000 0.856 361 L CB -0.066 42.021 42.059 0.048 0.000 0.985 361 L HN 0.815 nan 8.230 nan 0.000 0.456 362 A N -0.779 122.060 122.820 0.031 0.000 2.454 362 A HA 0.713 4.494 4.320 -0.898 0.000 0.302 362 A C -2.599 174.998 177.584 0.022 0.000 1.079 362 A CA -1.395 50.654 52.037 0.019 0.000 0.731 362 A CB 1.075 20.087 19.000 0.019 0.000 1.299 362 A HN -0.185 nan 8.150 nan 0.000 0.413 363 P HA 0.475 nan 4.420 nan 0.000 0.272 363 P C -0.750 176.574 177.300 0.039 0.000 1.240 363 P CA -0.208 62.907 63.100 0.026 0.000 0.791 363 P CB 0.478 32.191 31.700 0.021 0.000 0.978 364 R N -1.201 119.331 120.500 0.054 0.000 2.741 364 R HA 0.381 4.183 4.340 -0.898 0.000 0.276 364 R C -1.287 175.064 176.300 0.086 0.000 1.028 364 R CA -0.989 55.150 56.100 0.065 0.000 0.865 364 R CB 0.246 30.589 30.300 0.073 0.000 1.268 364 R HN 0.104 nan 8.270 nan 0.000 0.475 365 K N 0.874 121.323 120.400 0.082 0.000 2.319 365 K HA 0.171 3.952 4.320 -0.898 0.000 0.265 365 K C -1.788 174.898 176.600 0.143 0.000 1.000 365 K CA -1.821 54.519 56.287 0.088 0.000 0.943 365 K CB 0.574 33.111 32.500 0.063 0.000 0.950 365 K HN 0.301 nan 8.250 nan 0.000 0.485 366 P HA -0.210 nan 4.420 nan 0.000 0.215 366 P C 1.044 178.494 177.300 0.251 0.000 1.157 366 P CA 1.842 65.086 63.100 0.240 0.000 0.874 366 P CB 0.176 31.863 31.700 -0.022 0.000 0.790 367 A N -0.198 122.693 122.820 0.117 0.000 1.902 367 A HA -0.216 3.566 4.320 -0.898 0.000 0.217 367 A C 2.049 179.707 177.584 0.123 0.000 1.181 367 A CA 1.746 53.843 52.037 0.100 0.000 0.623 367 A CB -0.944 18.087 19.000 0.051 0.000 0.818 367 A HN 0.059 nan 8.150 nan 0.000 0.443 368 K N -0.355 120.112 120.400 0.113 0.000 2.057 368 K HA -0.074 3.707 4.320 -0.898 0.000 0.206 368 K C 2.112 178.788 176.600 0.127 0.000 1.050 368 K CA 1.291 57.636 56.287 0.098 0.000 0.935 368 K CB -1.223 31.325 32.500 0.079 0.000 0.715 368 K HN 0.450 nan 8.250 nan 0.000 0.439 369 G N 1.991 110.898 108.800 0.177 0.000 2.421 369 G HA2 -0.235 3.186 3.960 -0.898 0.000 0.216 369 G HA3 -0.235 3.186 3.960 -0.898 0.000 0.216 369 G C 1.569 176.585 174.900 0.193 0.000 1.171 369 G CA 0.683 45.893 45.100 0.183 0.000 0.775 369 G HN 0.248 nan 8.290 nan 0.000 0.543 370 L N 0.724 122.123 121.223 0.293 0.000 2.079 370 L HA 0.011 3.812 4.340 -0.898 0.000 0.210 370 L C 2.482 179.441 176.870 0.149 0.000 1.081 370 L CA 2.490 57.506 54.840 0.293 0.000 0.752 370 L CB -0.615 41.660 42.059 0.360 0.000 0.896 370 L HN 0.425 nan 8.230 nan 0.000 0.433 371 E N -0.549 119.720 120.200 0.116 0.000 2.077 371 E HA -0.238 3.573 4.350 -0.898 0.000 0.193 371 E C 1.970 178.582 176.600 0.020 0.000 0.989 371 E CA 1.514 57.949 56.400 0.059 0.000 0.800 371 E CB -0.035 29.698 29.700 0.054 0.000 0.746 371 E HN 0.678 nan 8.360 nan 0.000 0.452 372 E N -0.079 120.135 120.200 0.022 0.000 2.107 372 E HA -0.143 3.668 4.350 -0.898 0.000 0.191 372 E C 2.028 178.506 176.600 -0.204 0.000 0.982 372 E CA 0.694 57.051 56.400 -0.070 0.000 0.809 372 E CB -0.067 29.625 29.700 -0.014 0.000 0.756 372 E HN 0.285 nan 8.360 nan 0.000 0.459 373 A N 1.522 124.286 122.820 -0.094 0.000 1.933 373 A HA -0.146 3.635 4.320 -0.898 0.000 0.218 373 A C 2.137 179.672 177.584 -0.082 0.000 1.175 373 A CA 0.883 52.858 52.037 -0.104 0.000 0.628 373 A CB -0.305 18.753 19.000 0.096 0.000 0.814 373 A HN 0.101 nan 8.150 nan 0.000 0.444 374 L N -0.040 121.162 121.223 -0.034 0.000 2.017 374 L HA -0.136 3.665 4.340 -0.898 0.000 0.208 374 L C 2.398 179.236 176.870 -0.054 0.000 1.073 374 L CA 2.365 57.188 54.840 -0.028 0.000 0.745 374 L CB -1.217 40.839 42.059 -0.004 0.000 0.894 374 L HN 0.553 nan 8.230 nan 0.000 0.432 375 K N 0.104 120.461 120.400 -0.072 0.000 2.147 375 K HA -0.152 3.630 4.320 -0.898 0.000 0.205 375 K C 1.908 178.447 176.600 -0.102 0.000 1.049 375 K CA 1.141 57.382 56.287 -0.076 0.000 0.936 375 K CB 0.081 32.535 32.500 -0.076 0.000 0.722 375 K HN 0.221 nan 8.250 nan 0.000 0.446 376 R N -0.660 119.741 120.500 -0.165 0.000 2.310 376 R HA 0.084 3.885 4.340 -0.898 0.000 0.202 376 R C 0.737 176.973 176.300 -0.108 0.000 0.933 376 R CA 0.504 56.495 56.100 -0.181 0.000 1.054 376 R CB 0.311 30.393 30.300 -0.363 0.000 0.985 376 R HN 0.395 nan 8.270 nan 0.000 0.489 377 G N 1.331 110.085 108.800 -0.077 0.000 2.249 377 G HA2 -0.328 3.094 3.960 -0.898 0.000 0.273 377 G HA3 -0.328 3.094 3.960 -0.898 0.000 0.273 377 G C 0.176 175.064 174.900 -0.019 0.000 1.036 377 G CA 0.187 45.263 45.100 -0.040 0.000 0.824 377 G HN 0.515 nan 8.290 nan 0.000 0.504 378 A N -0.585 122.226 122.820 -0.015 0.000 2.407 378 A HA 0.816 4.598 4.320 -0.898 0.000 0.248 378 A C 1.633 179.240 177.584 0.038 0.000 1.082 378 A CA 0.882 52.947 52.037 0.046 0.000 0.785 378 A CB 0.572 19.632 19.000 0.100 0.000 1.020 378 A HN 1.756 nan 8.150 nan 0.000 0.489 379 A N 1.945 124.811 122.820 0.076 0.000 1.872 379 A HA 0.355 4.136 4.320 -0.898 0.000 0.214 379 A C 0.376 177.871 177.584 -0.148 0.000 1.187 379 A CA 0.963 52.997 52.037 -0.005 0.000 0.614 379 A CB -0.232 18.847 19.000 0.132 0.000 0.826 379 A HN 0.692 nan 8.150 nan 0.000 0.442 380 F N -2.030 117.972 119.950 0.087 0.000 2.561 380 F HA 0.673 4.661 4.527 -0.897 0.000 0.321 380 F C 0.263 176.124 175.800 0.102 0.000 1.065 380 F CA -0.578 57.486 58.000 0.107 0.000 0.934 380 F CB 1.982 41.055 39.000 0.122 0.000 1.215 380 F HN 0.155 nan 8.300 nan 0.000 0.471 381 A N 0.854 123.857 122.820 0.305 0.000 2.355 381 A HA 0.865 4.646 4.320 -0.898 0.000 0.324 381 A C -0.429 177.205 177.584 0.082 0.000 1.117 381 A CA -0.464 51.657 52.037 0.139 0.000 0.785 381 A CB 1.093 20.181 19.000 0.146 0.000 1.254 381 A HN 0.939 nan 8.150 nan 0.000 0.453 382 G N -0.004 108.678 108.800 -0.197 0.000 2.524 382 G HA2 0.663 4.084 3.960 -0.898 0.000 0.310 382 G HA3 0.663 4.084 3.960 -0.898 0.000 0.310 382 G C -1.399 173.231 174.900 -0.449 0.000 1.279 382 G CA -0.413 44.609 45.100 -0.130 0.000 0.974 382 G HN 0.403 nan 8.290 nan 0.000 0.484 383 F N 0.470 120.436 119.950 0.028 0.000 2.529 383 F HA 0.566 4.554 4.527 -0.898 0.000 0.320 383 F C -0.063 175.736 175.800 -0.002 0.000 1.118 383 F CA -0.767 57.242 58.000 0.015 0.000 0.915 383 F CB 2.514 41.528 39.000 0.024 0.000 1.161 383 F HN 0.077 nan 8.300 nan 0.000 0.445 384 L N 3.304 124.600 121.223 0.123 0.000 2.372 384 L HA 0.796 4.597 4.340 -0.898 0.000 0.273 384 L C 0.105 177.014 176.870 0.064 0.000 0.989 384 L CA -0.379 54.499 54.840 0.064 0.000 0.841 384 L CB 1.559 43.618 42.059 0.001 0.000 1.225 384 L HN 0.822 nan 8.230 nan 0.000 0.414 385 G N 0.709 109.546 108.800 0.062 0.000 3.015 385 G HA2 0.268 3.689 3.960 -0.898 0.000 0.281 385 G HA3 0.268 3.689 3.960 -0.898 0.000 0.281 385 G C 0.251 175.168 174.900 0.028 0.000 1.386 385 G CA -0.286 44.842 45.100 0.047 0.000 0.959 385 G HN 0.608 nan 8.290 nan 0.000 0.522 386 E N -0.705 119.508 120.200 0.021 0.000 2.070 386 E HA -0.211 3.601 4.350 -0.898 0.000 0.197 386 E C 1.663 178.270 176.600 0.013 0.000 1.004 386 E CA 2.181 58.589 56.400 0.014 0.000 0.805 386 E CB -0.011 29.696 29.700 0.012 0.000 0.744 386 E HN 0.531 nan 8.360 nan 0.000 0.451 387 D N 0.345 120.752 120.400 0.013 0.000 2.084 387 D HA -0.204 3.897 4.640 -0.898 0.000 0.194 387 D C 1.929 178.234 176.300 0.010 0.000 0.990 387 D CA 1.715 55.721 54.000 0.009 0.000 0.826 387 D CB -0.198 40.606 40.800 0.006 0.000 0.971 387 D HN 0.336 nan 8.370 nan 0.000 0.453 388 E N 0.922 121.131 120.200 0.016 0.000 2.150 388 E HA -0.123 3.688 4.350 -0.898 0.000 0.193 388 E C 2.322 178.929 176.600 0.011 0.000 0.985 388 E CA 0.472 56.880 56.400 0.014 0.000 0.814 388 E CB -0.528 29.188 29.700 0.025 0.000 0.752 388 E HN 0.366 nan 8.360 nan 0.000 0.466 389 L N 0.425 121.656 121.223 0.013 0.000 2.046 389 L HA -0.096 3.705 4.340 -0.898 0.000 0.208 389 L C 2.964 179.840 176.870 0.010 0.000 1.077 389 L CA 1.400 56.248 54.840 0.012 0.000 0.747 389 L CB -0.383 41.684 42.059 0.013 0.000 0.896 389 L HN 0.102 nan 8.230 nan 0.000 0.432 390 R N 0.281 120.786 120.500 0.008 0.000 2.115 390 R HA -0.086 3.715 4.340 -0.898 0.000 0.230 390 R C 2.001 178.302 176.300 0.003 0.000 1.111 390 R CA 1.272 57.376 56.100 0.005 0.000 0.976 390 R CB -0.099 30.204 30.300 0.004 0.000 0.870 390 R HN 0.312 nan 8.270 nan 0.000 0.445 391 A N -0.509 122.312 122.820 0.002 0.000 2.238 391 A HA 0.264 4.045 4.320 -0.898 0.000 0.210 391 A C 1.167 178.749 177.584 -0.003 0.000 1.179 391 A CA 0.450 52.486 52.037 -0.002 0.000 0.827 391 A CB -0.177 18.821 19.000 -0.003 0.000 0.856 391 A HN 0.472 nan 8.150 nan 0.000 0.488 392 G N -0.068 108.731 108.800 -0.001 0.000 2.295 392 G HA2 -0.225 3.196 3.960 -0.898 0.000 0.287 392 G HA3 -0.225 3.196 3.960 -0.898 0.000 0.287 392 G C -0.167 174.728 174.900 -0.008 0.000 1.055 392 G CA 0.773 45.871 45.100 -0.003 0.000 0.922 392 G HN 0.654 nan 8.290 nan 0.000 0.503 393 E N -2.117 118.079 120.200 -0.006 0.000 2.428 393 E HA 0.810 4.622 4.350 -0.898 0.000 0.259 393 E C -0.412 176.183 176.600 -0.007 0.000 0.930 393 E CA -1.047 55.345 56.400 -0.013 0.000 0.823 393 E CB 2.389 32.080 29.700 -0.015 0.000 1.403 393 E HN 0.316 nan 8.360 nan 0.000 0.415 394 V N 0.150 120.055 119.914 -0.014 0.000 3.087 394 V HA 0.387 3.969 4.120 -0.898 0.000 0.306 394 V C -0.918 175.182 176.094 0.011 0.000 1.187 394 V CA -0.910 61.393 62.300 0.004 0.000 0.999 394 V CB 2.269 34.084 31.823 -0.013 0.000 1.049 394 V HN 0.659 nan 8.190 nan 0.000 0.431 395 T N 4.203 118.803 114.554 0.077 0.000 2.779 395 T HA 0.735 4.546 4.350 -0.898 0.000 0.280 395 T C -0.613 174.199 174.700 0.186 0.000 0.987 395 T CA -0.252 61.911 62.100 0.105 0.000 0.966 395 T CB 0.762 69.708 68.868 0.129 0.000 0.933 395 T HN 0.393 nan 8.240 nan 0.000 0.442 396 L N 2.936 124.236 121.223 0.129 0.000 2.342 396 L HA 0.671 4.472 4.340 -0.898 0.000 0.271 396 L C -0.059 176.998 176.870 0.312 0.000 1.008 396 L CA -0.960 54.012 54.840 0.221 0.000 0.818 396 L CB 2.079 44.190 42.059 0.086 0.000 1.296 396 L HN 0.400 nan 8.230 nan 0.000 0.427 397 K N 2.642 123.301 120.400 0.432 0.000 2.613 397 K HA 0.310 4.091 4.320 -0.898 0.000 0.248 397 K C -0.843 175.894 176.600 0.229 0.000 0.959 397 K CA -0.744 55.736 56.287 0.321 0.000 0.855 397 K CB 1.605 34.280 32.500 0.293 0.000 1.143 397 K HN 0.510 nan 8.250 nan 0.000 0.437 398 R N 5.901 126.436 120.500 0.058 0.000 2.345 398 R HA 0.084 3.886 4.340 -0.898 0.000 0.331 398 R C 1.024 177.187 176.300 -0.228 0.000 1.067 398 R CA -0.024 55.779 56.100 -0.493 0.000 0.962 398 R CB 0.239 30.282 30.300 -0.427 0.000 0.987 398 R HN 0.758 nan 8.270 nan 0.000 0.451 399 L N 3.829 124.923 121.223 -0.214 0.000 2.013 399 L HA -0.247 3.554 4.340 -0.898 0.000 0.212 399 L C 2.376 179.196 176.870 -0.084 0.000 1.073 399 L CA 1.760 56.550 54.840 -0.084 0.000 0.753 399 L CB -0.715 41.312 42.059 -0.052 0.000 0.890 399 L HN 0.775 nan 8.230 nan 0.000 0.432 400 A N -0.117 122.628 122.820 -0.126 0.000 1.978 400 A HA -0.204 3.578 4.320 -0.898 0.000 0.220 400 A C 2.258 179.806 177.584 -0.061 0.000 1.170 400 A CA 2.374 54.359 52.037 -0.086 0.000 0.636 400 A CB -0.675 18.268 19.000 -0.096 0.000 0.810 400 A HN 0.572 nan 8.150 nan 0.000 0.448 401 T N -6.303 108.210 114.554 -0.068 0.000 3.003 401 T HA 0.437 4.248 4.350 -0.898 0.000 0.261 401 T C 1.429 176.122 174.700 -0.012 0.000 1.003 401 T CA 1.016 63.097 62.100 -0.032 0.000 0.917 401 T CB 0.407 69.261 68.868 -0.022 0.000 1.084 401 T HN 1.701 nan 8.240 nan 0.000 0.522 402 G N 1.814 110.607 108.800 -0.013 0.000 2.212 402 G HA2 -0.322 3.099 3.960 -0.898 0.000 0.266 402 G HA3 -0.322 3.099 3.960 -0.898 0.000 0.266 402 G C -0.072 174.848 174.900 0.034 0.000 0.978 402 G CA 0.385 45.493 45.100 0.012 0.000 0.632 402 G HN 0.916 nan 8.290 nan 0.000 0.537 403 E N 0.917 121.143 120.200 0.044 0.000 2.493 403 E HA 0.269 4.080 4.350 -0.898 0.000 0.255 403 E C 0.196 176.867 176.600 0.119 0.000 0.999 403 E CA 0.179 56.628 56.400 0.081 0.000 0.934 403 E CB 0.149 29.915 29.700 0.110 0.000 0.940 403 E HN 0.516 nan 8.360 nan 0.000 0.473 404 Q N 4.091 123.947 119.800 0.093 0.000 2.331 404 Q HA 0.483 4.284 4.340 -0.898 0.000 0.267 404 Q C -1.785 174.253 176.000 0.063 0.000 1.006 404 Q CA -0.767 55.091 55.803 0.092 0.000 0.818 404 Q CB 2.056 30.819 28.738 0.042 0.000 1.276 404 Q HN 0.468 nan 8.270 nan 0.000 0.450 405 V N 3.446 123.389 119.914 0.048 0.000 2.962 405 V HA 0.715 4.296 4.120 -0.898 0.000 0.313 405 V C -1.630 174.423 176.094 -0.068 0.000 1.099 405 V CA -0.760 61.522 62.300 -0.031 0.000 0.971 405 V CB 2.293 34.047 31.823 -0.115 0.000 1.028 405 V HN 0.843 nan 8.190 nan 0.000 0.430 406 R N 5.434 125.889 120.500 -0.075 0.000 2.360 406 R HA 0.754 4.555 4.340 -0.898 0.000 0.318 406 R C -1.254 174.987 176.300 -0.098 0.000 0.950 406 R CA -0.423 55.638 56.100 -0.066 0.000 0.837 406 R CB 0.850 31.128 30.300 -0.036 0.000 1.165 406 R HN 0.839 nan 8.270 nan 0.000 0.458 407 L N 0.834 121.985 121.223 -0.120 0.000 2.327 407 L HA 0.768 4.569 4.340 -0.898 0.000 0.258 407 L C -0.428 176.396 176.870 -0.077 0.000 1.024 407 L CA -1.208 53.559 54.840 -0.122 0.000 0.825 407 L CB 2.051 43.980 42.059 -0.217 0.000 1.386 407 L HN 0.660 nan 8.230 nan 0.000 0.417 408 S N -0.099 115.567 115.700 -0.056 0.000 2.603 408 S HA 0.351 4.282 4.470 -0.898 0.000 0.268 408 S C 0.849 175.427 174.600 -0.037 0.000 1.317 408 S CA -0.646 57.532 58.200 -0.036 0.000 1.012 408 S CB 1.375 64.560 63.200 -0.025 0.000 0.926 408 S HN 0.799 nan 8.310 nan 0.000 0.539 409 R N 0.716 121.199 120.500 -0.027 0.000 2.127 409 R HA -0.107 3.694 4.340 -0.898 0.000 0.238 409 R C 1.680 177.966 176.300 -0.023 0.000 1.134 409 R CA 1.705 57.790 56.100 -0.025 0.000 0.975 409 R CB -0.428 29.861 30.300 -0.019 0.000 0.865 409 R HN 0.719 nan 8.270 nan 0.000 0.447 410 E N 0.514 120.702 120.200 -0.019 0.000 2.204 410 E HA -0.143 3.668 4.350 -0.898 0.000 0.194 410 E C 1.303 177.899 176.600 -0.007 0.000 0.989 410 E CA 1.020 57.412 56.400 -0.014 0.000 0.824 410 E CB 0.038 29.730 29.700 -0.013 0.000 0.756 410 E HN 0.446 nan 8.360 nan 0.000 0.477 411 E N -0.210 119.985 120.200 -0.009 0.000 2.447 411 E HA 0.010 3.821 4.350 -0.898 0.000 0.195 411 E C 1.713 178.327 176.600 0.024 0.000 1.028 411 E CA 0.102 56.508 56.400 0.009 0.000 0.876 411 E CB 0.354 30.054 29.700 0.001 0.000 0.885 411 E HN 0.040 nan 8.360 nan 0.000 0.500 412 V N 1.929 121.838 119.914 -0.008 0.000 2.287 412 V HA -0.210 3.371 4.120 -0.898 0.000 0.248 412 V C -0.757 175.350 176.094 0.020 0.000 1.053 412 V CA 2.057 64.352 62.300 -0.008 0.000 1.027 412 V CB -1.353 30.448 31.823 -0.037 0.000 0.646 412 V HN 0.199 nan 8.190 nan 0.000 0.447 413 P HA -0.135 nan 4.420 nan 0.000 0.214 413 P C 1.755 179.061 177.300 0.009 0.000 1.163 413 P CA 1.997 65.097 63.100 0.001 0.000 0.883 413 P CB -0.394 31.305 31.700 -0.003 0.000 0.788 414 G N -1.416 107.398 108.800 0.024 0.000 2.421 414 G HA2 -0.314 3.107 3.960 -0.898 0.000 0.216 414 G HA3 -0.314 3.107 3.960 -0.898 0.000 0.216 414 G C 1.619 176.534 174.900 0.026 0.000 1.171 414 G CA 0.767 45.881 45.100 0.022 0.000 0.775 414 G HN 0.235 nan 8.290 nan 0.000 0.543 415 Y N 1.094 121.355 120.300 -0.064 0.000 2.128 415 Y HA -0.070 3.942 4.550 -0.898 0.000 0.284 415 Y C 2.604 178.428 175.900 -0.127 0.000 1.154 415 Y CA 1.550 59.602 58.100 -0.079 0.000 1.149 415 Y CB -0.239 38.166 38.460 -0.092 0.000 0.976 415 Y HN 0.113 nan 8.280 nan 0.000 0.505 416 L N -0.650 120.544 121.223 -0.048 0.000 2.083 416 L HA -0.243 3.558 4.340 -0.898 0.000 0.209 416 L C 2.441 179.225 176.870 -0.144 0.000 1.083 416 L CA 0.652 55.367 54.840 -0.208 0.000 0.752 416 L CB -0.595 41.369 42.059 -0.160 0.000 0.899 416 L HN 0.324 nan 8.230 nan 0.000 0.433 417 L N -0.031 121.142 121.223 -0.085 0.000 2.093 417 L HA -0.207 3.595 4.340 -0.898 0.000 0.208 417 L C 2.544 179.373 176.870 -0.069 0.000 1.085 417 L CA 1.725 56.534 54.840 -0.052 0.000 0.755 417 L CB -0.758 41.284 42.059 -0.029 0.000 0.904 417 L HN 0.381 nan 8.230 nan 0.000 0.435 418 Q N -0.117 119.614 119.800 -0.115 0.000 2.167 418 Q HA -0.091 3.711 4.340 -0.898 0.000 0.202 418 Q C 1.987 177.906 176.000 -0.136 0.000 0.970 418 Q CA 1.965 57.695 55.803 -0.121 0.000 0.855 418 Q CB -0.088 28.560 28.738 -0.149 0.000 0.911 418 Q HN 0.413 nan 8.270 nan 0.000 0.438 419 A N -0.377 122.324 122.820 -0.198 0.000 1.975 419 A HA 0.121 3.902 4.320 -0.898 0.000 0.215 419 A C 1.579 179.189 177.584 0.044 0.000 1.170 419 A CA 0.619 52.600 52.037 -0.093 0.000 0.656 419 A CB -0.117 18.821 19.000 -0.104 0.000 0.821 419 A HN 0.392 nan 8.150 nan 0.000 0.449 420 L N 0.184 121.433 121.223 0.042 0.000 2.685 420 L HA 0.216 4.017 4.340 -0.898 0.000 0.233 420 L C 1.408 178.298 176.870 0.034 0.000 1.173 420 L CA -0.367 54.519 54.840 0.077 0.000 0.961 420 L CB -0.219 41.900 42.059 0.100 0.000 1.217 420 L HN 0.399 nan 8.230 nan 0.000 0.478 421 G N 0.000 108.806 108.800 0.009 0.000 5.446 421 G HA2 0.000 3.421 3.960 -0.898 0.000 0.244 421 G HA3 0.000 3.421 3.960 -0.898 0.000 0.244 421 G CA 0.000 45.102 45.100 0.003 0.000 0.502 421 G HN 0.000 nan 8.290 nan 0.000 0.925