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 3gei_1_A DATA FIRST_RESID 4 DATA SEQUENCE SDLHLPVPGH PIAAIATPVG VGALAIVRIS GAGVLDLADR VFRKVHGSGK DATA SEQUENCE LAEAAGYTAH FGRLYDGEEM VDEVIALVFR APRSFTAEQM VEFTCHGGPV DATA SEQUENCE VVGRVLRLML DNGCRLAEPG EFTRRAFLNG RIDLLQAEAI GEMIHARTES DATA SEQUENCE AYRTAVSQMK GDLSVRLGGL REQLIRSCAL IELELDFSEE DVEFQSRDEL DATA SEQUENCE TMQIETLRSE VNRLIDSYQH GRIVSEGVST VIAGKPNAGK STLLNTLLXX DATA SEQUENCE XXXXXXXXXX XXXXXXEECF IHDKTMFRLT DXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XMKMAEADLI LYLLDLGTER LDDELTEIRE LKAAHPAAKF LTVANKLDRA DATA SEQUENCE ANADALIRAI ADGTGTEVIG ISALNGDGID TLKQHMGDLV KNLXXXXEAS DATA SEQUENCE VLVTSLRHYE ALRNASDALQ NALELIAHES ETELIAFELR AALDYVGQIT DATA SEQUENCE GKVVNEEVLN TIFDKFCIGK 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 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.579 174.600 -0.035 0.000 1.055 4 S CA 0.000 58.184 58.200 -0.027 0.000 1.107 4 S CB 0.000 63.191 63.200 -0.016 0.000 0.593 5 D N 0.339 120.707 120.400 -0.053 0.000 2.525 5 D HA 0.758 5.413 4.640 0.024 0.000 0.249 5 D C 0.385 176.612 176.300 -0.121 0.000 1.072 5 D CA -0.657 53.304 54.000 -0.065 0.000 1.067 5 D CB 0.224 40.993 40.800 -0.052 0.000 1.282 5 D HN 0.183 nan 8.370 nan 0.000 0.587 6 L N -1.298 119.851 121.223 -0.123 0.000 2.836 6 L HA 0.403 4.757 4.340 0.024 0.000 0.216 6 L C 0.302 176.996 176.870 -0.293 0.000 1.861 6 L CA -0.640 54.092 54.840 -0.181 0.000 2.145 6 L CB -0.201 41.828 42.059 -0.051 0.000 2.671 6 L HN 0.455 nan 8.230 nan 0.000 0.594 7 H N 0.481 119.549 119.070 -0.004 0.000 2.375 7 H HA 0.386 4.957 4.556 0.024 0.000 0.230 7 H C -1.083 174.238 175.328 -0.012 0.000 1.511 7 H CA -0.654 55.389 56.048 -0.009 0.000 1.215 7 H CB 0.026 29.782 29.762 -0.010 0.000 1.580 7 H HN -0.013 nan 8.280 nan 0.000 0.537 8 L N 2.617 123.875 121.223 0.058 0.000 2.397 8 L HA 0.214 4.568 4.340 0.024 0.000 0.271 8 L C -1.550 175.335 176.870 0.025 0.000 1.148 8 L CA -2.369 52.490 54.840 0.033 0.000 0.825 8 L CB -0.389 41.677 42.059 0.011 0.000 1.117 8 L HN 0.361 nan 8.230 nan 0.000 0.456 9 P HA 0.075 nan 4.420 nan 0.000 0.267 9 P C -0.426 176.864 177.300 -0.017 0.000 1.209 9 P CA -0.411 62.681 63.100 -0.014 0.000 0.763 9 P CB 0.380 32.059 31.700 -0.036 0.000 0.816 10 V N 3.099 123.004 119.914 -0.016 0.000 2.486 10 V HA 0.075 4.209 4.120 0.024 0.000 0.290 10 V C -1.601 174.477 176.094 -0.026 0.000 0.991 10 V CA -1.350 60.940 62.300 -0.017 0.000 1.142 10 V CB -1.087 30.727 31.823 -0.014 0.000 0.926 10 V HN 0.520 nan 8.190 nan 0.000 0.472 11 P HA 0.362 nan 4.420 nan 0.000 0.275 11 P C 0.498 177.780 177.300 -0.029 0.000 1.227 11 P CA 0.253 63.335 63.100 -0.031 0.000 0.781 11 P CB 1.222 32.906 31.700 -0.027 0.000 0.906 12 G N 1.291 110.071 108.800 -0.034 0.000 2.621 12 G HA2 0.065 4.039 3.960 0.024 0.000 0.271 12 G HA3 0.065 4.039 3.960 0.024 0.000 0.271 12 G C -0.209 174.695 174.900 0.007 0.000 1.236 12 G CA -0.326 44.766 45.100 -0.014 0.000 0.958 12 G HN 0.697 nan 8.290 nan 0.000 0.512 13 H N 1.003 120.042 119.070 -0.051 0.000 3.001 13 H HA 0.053 4.623 4.556 0.024 0.000 0.334 13 H C -1.741 173.560 175.328 -0.045 0.000 1.034 13 H CA -0.793 55.232 56.048 -0.039 0.000 1.420 13 H CB 0.998 30.738 29.762 -0.037 0.000 1.405 13 H HN 0.104 nan 8.280 nan 0.000 0.593 14 P HA 0.007 nan 4.420 nan 0.000 0.262 14 P C -0.194 177.166 177.300 0.100 0.000 1.199 14 P CA 0.504 63.576 63.100 -0.047 0.000 0.763 14 P CB -0.010 31.620 31.700 -0.115 0.000 0.790 15 I N 0.437 121.032 120.570 0.042 0.000 2.797 15 I HA 0.914 5.098 4.170 0.024 0.000 0.307 15 I C -0.711 175.470 176.117 0.107 0.000 1.033 15 I CA -1.460 59.852 61.300 0.020 0.000 1.071 15 I CB 2.484 40.381 38.000 -0.173 0.000 1.255 15 I HN 0.263 nan 8.210 nan 0.000 0.445 16 A N 2.935 125.845 122.820 0.150 0.000 2.486 16 A HA 0.998 5.332 4.320 0.024 0.000 0.300 16 A C -0.921 176.820 177.584 0.261 0.000 1.048 16 A CA -0.195 51.990 52.037 0.246 0.000 0.696 16 A CB 1.666 20.778 19.000 0.186 0.000 1.278 16 A HN 1.555 nan 8.150 nan 0.000 0.405 17 A N 1.013 124.015 122.820 0.303 0.000 2.608 17 A HA 0.686 5.021 4.320 0.024 0.000 0.292 17 A C -1.193 176.474 177.584 0.138 0.000 1.066 17 A CA -0.527 51.651 52.037 0.235 0.000 0.676 17 A CB 0.502 19.711 19.000 0.348 0.000 1.277 17 A HN 0.887 nan 8.150 nan 0.000 0.413 18 I N 1.729 122.357 120.570 0.095 0.000 2.396 18 I HA 0.326 4.510 4.170 0.024 0.000 0.289 18 I C 1.331 177.453 176.117 0.008 0.000 1.056 18 I CA 0.148 61.478 61.300 0.050 0.000 1.365 18 I CB 1.592 39.620 38.000 0.047 0.000 1.407 18 I HN 0.806 nan 8.210 nan 0.000 0.509 19 A N 4.571 127.366 122.820 -0.042 0.000 2.081 19 A HA 0.061 4.395 4.320 0.024 0.000 0.214 19 A C 1.114 178.646 177.584 -0.087 0.000 1.158 19 A CA 0.521 52.493 52.037 -0.108 0.000 0.724 19 A CB -0.246 18.641 19.000 -0.188 0.000 0.826 19 A HN 0.709 nan 8.150 nan 0.000 0.463 20 T N -1.317 113.205 114.554 -0.052 0.000 2.934 20 T HA 0.568 4.932 4.350 0.024 0.000 0.283 20 T C -2.630 172.050 174.700 -0.033 0.000 1.005 20 T CA -1.942 60.130 62.100 -0.047 0.000 1.041 20 T CB 0.841 69.691 68.868 -0.029 0.000 1.042 20 T HN -0.012 nan 8.240 nan 0.000 0.505 21 P HA 0.212 nan 4.420 nan 0.000 0.270 21 P C -0.284 177.011 177.300 -0.009 0.000 1.221 21 P CA -0.639 62.444 63.100 -0.028 0.000 0.788 21 P CB 0.102 31.781 31.700 -0.036 0.000 0.904 22 V N -1.322 118.592 119.914 -0.001 0.000 2.583 22 V HA 0.818 4.952 4.120 0.024 0.000 0.287 22 V C 0.553 176.650 176.094 0.006 0.000 1.051 22 V CA 0.305 62.610 62.300 0.008 0.000 1.010 22 V CB 0.124 31.956 31.823 0.015 0.000 0.988 22 V HN 1.010 nan 8.190 nan 0.000 0.478 23 G N 2.488 111.293 108.800 0.009 0.000 2.346 23 G HA2 0.372 4.346 3.960 0.024 0.000 0.294 23 G HA3 0.372 4.346 3.960 0.024 0.000 0.294 23 G C -0.827 174.079 174.900 0.010 0.000 1.294 23 G CA -0.321 44.784 45.100 0.008 0.000 0.962 23 G HN 1.942 nan 8.290 nan 0.000 0.508 24 V N -1.211 118.709 119.914 0.010 0.000 2.644 24 V HA 0.998 5.133 4.120 0.024 0.000 0.295 24 V C 0.825 176.927 176.094 0.014 0.000 1.053 24 V CA 0.578 62.885 62.300 0.013 0.000 0.987 24 V CB 0.878 32.708 31.823 0.011 0.000 1.006 24 V HN 2.544 nan 8.190 nan 0.000 0.472 25 G N 1.157 109.970 108.800 0.022 0.000 2.506 25 G HA2 0.622 4.597 3.960 0.024 0.000 0.292 25 G HA3 0.622 4.597 3.960 0.024 0.000 0.292 25 G C 0.236 175.160 174.900 0.041 0.000 1.425 25 G CA -0.065 45.049 45.100 0.023 0.000 0.788 25 G HN 1.125 nan 8.290 nan 0.000 0.490 26 A N -0.940 121.905 122.820 0.041 0.000 1.902 26 A HA 0.432 4.767 4.320 0.024 0.000 0.217 26 A C 0.997 178.628 177.584 0.079 0.000 1.181 26 A CA 1.244 53.320 52.037 0.065 0.000 0.623 26 A CB -0.517 18.512 19.000 0.049 0.000 0.818 26 A HN 0.713 nan 8.150 nan 0.000 0.443 27 L N -2.978 118.272 121.223 0.044 0.000 2.350 27 L HA 0.772 5.127 4.340 0.024 0.000 0.260 27 L C -0.356 176.527 176.870 0.022 0.000 1.015 27 L CA -0.623 54.233 54.840 0.026 0.000 0.821 27 L CB 2.240 44.302 42.059 0.006 0.000 1.370 27 L HN 0.167 nan 8.230 nan 0.000 0.416 28 A N 1.445 124.278 122.820 0.021 0.000 2.539 28 A HA 0.898 5.232 4.320 0.024 0.000 0.296 28 A C -1.303 176.295 177.584 0.023 0.000 1.073 28 A CA -0.460 51.589 52.037 0.019 0.000 0.700 28 A CB 1.579 20.597 19.000 0.029 0.000 1.296 28 A HN 0.593 nan 8.150 nan 0.000 0.405 29 I N 1.194 121.771 120.570 0.013 0.000 2.406 29 I HA 0.455 4.640 4.170 0.024 0.000 0.290 29 I C -0.816 175.319 176.117 0.031 0.000 0.999 29 I CA -0.926 60.385 61.300 0.019 0.000 1.124 29 I CB 1.945 39.932 38.000 -0.020 0.000 1.289 29 I HN 0.285 nan 8.210 nan 0.000 0.441 30 V N 6.834 126.803 119.914 0.090 0.000 2.370 30 V HA 0.496 4.630 4.120 0.024 0.000 0.283 30 V C -0.026 176.146 176.094 0.129 0.000 1.023 30 V CA -0.552 61.819 62.300 0.119 0.000 0.857 30 V CB 1.645 33.571 31.823 0.171 0.000 0.985 30 V HN 0.809 nan 8.190 nan 0.000 0.443 31 R N 6.056 126.589 120.500 0.054 0.000 2.740 31 R HA 0.888 5.242 4.340 0.024 0.000 0.282 31 R C -1.072 175.331 176.300 0.173 0.000 0.969 31 R CA -0.754 55.352 56.100 0.010 0.000 0.918 31 R CB 2.109 32.295 30.300 -0.190 0.000 1.175 31 R HN 0.697 nan 8.270 nan 0.000 0.464 32 I N -1.143 119.535 120.570 0.180 0.000 2.730 32 I HA 0.696 4.880 4.170 0.024 0.000 0.298 32 I C -1.030 175.231 176.117 0.240 0.000 1.089 32 I CA -0.859 60.600 61.300 0.266 0.000 1.041 32 I CB 2.528 40.659 38.000 0.217 0.000 1.235 32 I HN 0.688 nan 8.210 nan 0.000 0.423 33 S N 2.757 118.600 115.700 0.238 0.000 2.537 33 S HA 0.976 5.460 4.470 0.024 0.000 0.270 33 S C -0.441 174.183 174.600 0.040 0.000 1.142 33 S CA 0.338 58.628 58.200 0.151 0.000 0.870 33 S CB 1.744 65.095 63.200 0.251 0.000 1.112 33 S HN 1.699 nan 8.310 nan 0.000 0.466 34 G N 1.581 110.389 108.800 0.013 0.000 2.278 34 G HA2 0.472 4.447 3.960 0.024 0.000 0.265 34 G HA3 0.472 4.447 3.960 0.024 0.000 0.265 34 G C -0.655 174.226 174.900 -0.032 0.000 1.329 34 G CA -0.119 44.966 45.100 -0.024 0.000 1.017 34 G HN 1.512 nan 8.290 nan 0.000 0.472 35 A N -0.341 122.442 122.820 -0.062 0.000 2.320 35 A HA 0.699 5.033 4.320 0.024 0.000 0.287 35 A C 1.508 179.056 177.584 -0.060 0.000 1.181 35 A CA 1.276 53.278 52.037 -0.059 0.000 0.831 35 A CB 0.004 18.961 19.000 -0.071 0.000 1.102 35 A HN 2.810 nan 8.150 nan 0.000 0.513 36 G N 1.919 110.699 108.800 -0.035 0.000 2.305 36 G HA2 -0.200 3.774 3.960 0.024 0.000 0.287 36 G HA3 -0.200 3.774 3.960 0.024 0.000 0.287 36 G C 0.716 175.608 174.900 -0.014 0.000 1.036 36 G CA 0.373 45.458 45.100 -0.024 0.000 0.887 36 G HN 1.060 nan 8.290 nan 0.000 0.505 37 V N -0.001 119.910 119.914 -0.005 0.000 2.358 37 V HA -0.176 3.958 4.120 0.024 0.000 0.246 37 V C 2.799 178.911 176.094 0.031 0.000 1.047 37 V CA 2.527 64.838 62.300 0.017 0.000 1.035 37 V CB -0.329 31.509 31.823 0.026 0.000 0.658 37 V HN 0.637 nan 8.190 nan 0.000 0.452 38 L N -1.535 119.694 121.223 0.009 0.000 2.376 38 L HA 0.051 4.406 4.340 0.024 0.000 0.219 38 L C 1.790 178.673 176.870 0.022 0.000 1.133 38 L CA 1.435 56.277 54.840 0.003 0.000 0.816 38 L CB -1.263 40.775 42.059 -0.035 0.000 0.933 38 L HN 0.130 nan 8.230 nan 0.000 0.449 39 D N 0.466 120.877 120.400 0.019 0.000 2.144 39 D HA -0.133 4.521 4.640 0.024 0.000 0.200 39 D C 2.246 178.572 176.300 0.042 0.000 0.978 39 D CA 1.240 55.254 54.000 0.023 0.000 0.833 39 D CB 0.022 40.827 40.800 0.009 0.000 0.961 39 D HN 0.429 nan 8.370 nan 0.000 0.470 40 L N 0.269 121.520 121.223 0.047 0.000 2.056 40 L HA -0.093 4.261 4.340 0.024 0.000 0.207 40 L C 2.185 179.119 176.870 0.107 0.000 1.078 40 L CA 1.413 56.291 54.840 0.063 0.000 0.749 40 L CB -0.155 41.937 42.059 0.056 0.000 0.901 40 L HN -0.062 nan 8.230 nan 0.000 0.433 41 A N -0.558 122.352 122.820 0.150 0.000 1.902 41 A HA -0.256 4.078 4.320 0.024 0.000 0.217 41 A C 1.907 179.625 177.584 0.224 0.000 1.181 41 A CA 1.885 54.079 52.037 0.262 0.000 0.623 41 A CB -0.762 18.424 19.000 0.310 0.000 0.818 41 A HN 0.500 nan 8.150 nan 0.000 0.443 42 D N -0.515 119.975 120.400 0.151 0.000 2.221 42 D HA -0.113 4.541 4.640 0.024 0.000 0.204 42 D C 1.962 178.335 176.300 0.123 0.000 0.982 42 D CA 0.861 54.947 54.000 0.143 0.000 0.857 42 D CB -0.201 40.647 40.800 0.080 0.000 0.934 42 D HN 0.450 nan 8.370 nan 0.000 0.475 43 R N -0.412 120.147 120.500 0.098 0.000 2.299 43 R HA 0.010 4.365 4.340 0.024 0.000 0.197 43 R C 1.651 177.993 176.300 0.070 0.000 0.971 43 R CA 0.400 56.540 56.100 0.067 0.000 1.030 43 R CB 0.571 30.900 30.300 0.048 0.000 0.932 43 R HN 0.206 nan 8.270 nan 0.000 0.477 44 V N -4.132 115.842 119.914 0.101 0.000 3.497 44 V HA 0.285 4.420 4.120 0.024 0.000 0.272 44 V C 0.054 176.226 176.094 0.129 0.000 1.474 44 V CA -0.318 62.031 62.300 0.081 0.000 1.025 44 V CB -0.032 31.798 31.823 0.012 0.000 0.820 44 V HN -0.038 nan 8.190 nan 0.000 0.437 45 F N 2.715 122.677 119.950 0.020 0.000 2.415 45 F HA 0.723 5.264 4.527 0.024 0.000 0.348 45 F C 0.335 176.173 175.800 0.063 0.000 1.119 45 F CA -0.935 57.090 58.000 0.041 0.000 1.069 45 F CB 1.191 40.258 39.000 0.112 0.000 1.124 45 F HN -0.109 nan 8.300 nan 0.000 0.472 46 R N 5.635 125.775 120.500 -0.600 0.000 2.288 46 R HA 0.228 4.583 4.340 0.024 0.000 0.326 46 R C -0.598 175.282 176.300 -0.701 0.000 0.959 46 R CA -0.944 54.890 56.100 -0.443 0.000 0.834 46 R CB 1.542 31.728 30.300 -0.190 0.000 1.157 46 R HN 0.635 nan 8.270 nan 0.000 0.470 47 K N 1.713 121.866 120.400 -0.410 0.000 2.382 47 K HA -0.011 4.323 4.320 0.024 0.000 0.275 47 K C 1.222 177.783 176.600 -0.064 0.000 1.009 47 K CA -0.096 56.111 56.287 -0.133 0.000 0.970 47 K CB 1.247 33.843 32.500 0.161 0.000 0.934 47 K HN 0.331 nan 8.250 nan 0.000 0.479 48 V N 4.563 124.481 119.914 0.006 0.000 2.270 48 V HA -0.242 3.893 4.120 0.024 0.000 0.245 48 V C 1.333 177.399 176.094 -0.045 0.000 1.043 48 V CA 1.948 64.228 62.300 -0.034 0.000 1.014 48 V CB -0.440 31.378 31.823 -0.010 0.000 0.645 48 V HN 0.894 nan 8.190 nan 0.000 0.447 49 H N -0.179 118.934 119.070 0.071 0.000 2.435 49 H HA 0.260 4.830 4.556 0.024 0.000 0.309 49 H C 1.669 177.018 175.328 0.035 0.000 1.041 49 H CA 2.014 58.097 56.048 0.058 0.000 1.277 49 H CB -0.912 28.893 29.762 0.071 0.000 1.455 49 H HN 0.521 nan 8.280 nan 0.000 0.581 50 G N -1.270 107.648 108.800 0.195 0.000 3.226 50 G HA2 0.262 4.236 3.960 0.024 0.000 0.190 50 G HA3 0.262 4.236 3.960 0.024 0.000 0.190 50 G C -0.259 174.683 174.900 0.070 0.000 1.988 50 G CA 0.250 45.410 45.100 0.101 0.000 0.859 50 G HN 0.509 nan 8.290 nan 0.000 0.631 51 S N -0.872 114.868 115.700 0.066 0.000 2.584 51 S HA 0.371 4.855 4.470 0.024 0.000 0.189 51 S C 0.284 174.917 174.600 0.055 0.000 0.869 51 S CA 0.178 58.408 58.200 0.050 0.000 1.097 51 S CB 0.282 63.497 63.200 0.025 0.000 1.677 51 S HN 0.951 nan 8.310 nan 0.000 0.460 52 G N 2.516 111.362 108.800 0.076 0.000 2.469 52 G HA2 0.243 4.217 3.960 0.024 0.000 0.293 52 G HA3 0.243 4.217 3.960 0.024 0.000 0.293 52 G C 0.246 175.167 174.900 0.035 0.000 0.982 52 G CA -0.232 44.906 45.100 0.065 0.000 1.401 52 G HN 0.352 nan 8.290 nan 0.000 0.453 53 K N 2.162 122.575 120.400 0.021 0.000 2.511 53 K HA -0.019 4.316 4.320 0.024 0.000 0.280 53 K C 1.196 177.769 176.600 -0.045 0.000 1.008 53 K CA -0.462 55.830 56.287 0.009 0.000 1.050 53 K CB 1.409 33.916 32.500 0.011 0.000 0.889 53 K HN 0.295 nan 8.250 nan 0.000 0.484 54 L N 3.641 124.827 121.223 -0.062 0.000 2.131 54 L HA -0.184 4.170 4.340 0.024 0.000 0.210 54 L C 2.092 178.895 176.870 -0.113 0.000 1.092 54 L CA 1.910 56.645 54.840 -0.176 0.000 0.759 54 L CB -0.681 41.297 42.059 -0.135 0.000 0.903 54 L HN 0.834 nan 8.230 nan 0.000 0.435 55 A N -0.221 122.570 122.820 -0.048 0.000 1.898 55 A HA -0.194 4.140 4.320 0.024 0.000 0.216 55 A C 1.872 179.442 177.584 -0.023 0.000 1.181 55 A CA 1.513 53.533 52.037 -0.028 0.000 0.620 55 A CB -0.581 18.413 19.000 -0.009 0.000 0.819 55 A HN 0.660 nan 8.150 nan 0.000 0.442 56 E N -0.106 120.083 120.200 -0.018 0.000 2.368 56 E HA 0.510 4.875 4.350 0.024 0.000 0.188 56 E C 0.379 176.980 176.600 0.003 0.000 1.061 56 E CA 0.067 56.465 56.400 -0.005 0.000 0.933 56 E CB -0.144 29.557 29.700 0.003 0.000 1.091 56 E HN 0.457 nan 8.360 nan 0.000 0.458 57 A N 1.070 123.885 122.820 -0.009 0.000 2.279 57 A HA 0.683 5.017 4.320 0.024 0.000 0.303 57 A C 0.280 177.888 177.584 0.040 0.000 1.108 57 A CA -0.206 51.852 52.037 0.034 0.000 0.830 57 A CB 0.903 19.918 19.000 0.025 0.000 1.106 57 A HN 0.380 nan 8.150 nan 0.000 0.493 58 A N 0.363 123.221 122.820 0.063 0.000 2.313 58 A HA 0.592 4.927 4.320 0.024 0.000 0.261 58 A C 0.886 178.483 177.584 0.022 0.000 1.090 58 A CA 0.170 52.233 52.037 0.043 0.000 0.807 58 A CB -0.269 18.758 19.000 0.045 0.000 1.055 58 A HN 1.749 nan 8.150 nan 0.000 0.492 59 G N -1.817 106.998 108.800 0.025 0.000 2.527 59 G HA2 0.400 4.375 3.960 0.024 0.000 0.248 59 G HA3 0.400 4.375 3.960 0.024 0.000 0.248 59 G C -0.375 174.539 174.900 0.023 0.000 1.231 59 G CA 0.018 45.102 45.100 -0.026 0.000 0.838 59 G HN 0.919 nan 8.290 nan 0.000 0.570 60 Y N -1.255 118.914 120.300 -0.217 0.000 3.305 60 Y HA -0.262 4.302 4.550 0.024 0.000 0.212 60 Y C 1.369 177.136 175.900 -0.221 0.000 1.248 60 Y CA 1.035 58.974 58.100 -0.268 0.000 1.359 60 Y CB -2.256 36.131 38.460 -0.123 0.000 1.407 60 Y HN 0.834 nan 8.280 nan 0.000 0.572 61 T N -1.899 112.560 114.554 -0.158 0.000 2.812 61 T HA 0.897 5.262 4.350 0.024 0.000 0.282 61 T C 0.022 174.509 174.700 -0.355 0.000 0.990 61 T CA -0.313 61.664 62.100 -0.206 0.000 0.960 61 T CB 1.999 70.771 68.868 -0.160 0.000 0.948 61 T HN 0.652 nan 8.240 nan 0.000 0.438 62 A N 3.233 125.839 122.820 -0.356 0.000 2.316 62 A HA 0.653 4.987 4.320 0.024 0.000 0.284 62 A C -0.213 177.082 177.584 -0.482 0.000 1.115 62 A CA -0.719 51.144 52.037 -0.289 0.000 0.812 62 A CB 0.348 19.273 19.000 -0.124 0.000 1.064 62 A HN 0.985 nan 8.150 nan 0.000 0.489 63 H N 1.023 120.119 119.070 0.043 0.000 2.840 63 H HA 0.286 4.856 4.556 0.024 0.000 0.340 63 H C -1.753 173.788 175.328 0.355 0.000 1.004 63 H CA -0.309 55.846 56.048 0.179 0.000 1.288 63 H CB 1.553 31.396 29.762 0.134 0.000 1.607 63 H HN 0.633 nan 8.280 nan 0.000 0.522 64 F N 2.492 122.647 119.950 0.343 0.000 2.404 64 F HA 0.531 5.072 4.527 0.024 0.000 0.345 64 F C 0.382 176.384 175.800 0.337 0.000 1.110 64 F CA 0.566 58.748 58.000 0.304 0.000 1.130 64 F CB 0.864 39.969 39.000 0.174 0.000 1.129 64 F HN 0.723 nan 8.300 nan 0.000 0.500 65 G N 5.381 113.919 108.800 -0.437 0.000 2.450 65 G HA2 0.476 4.450 3.960 0.024 0.000 0.273 65 G HA3 0.476 4.450 3.960 0.024 0.000 0.273 65 G C -1.730 172.838 174.900 -0.553 0.000 1.221 65 G CA -1.155 43.602 45.100 -0.572 0.000 0.900 65 G HN 0.618 nan 8.290 nan 0.000 0.483 66 R N -0.797 119.374 120.500 -0.548 0.000 2.686 66 R HA 0.631 4.986 4.340 0.024 0.000 0.283 66 R C -0.799 175.325 176.300 -0.292 0.000 0.978 66 R CA -0.672 55.216 56.100 -0.353 0.000 0.897 66 R CB 2.362 32.480 30.300 -0.303 0.000 1.192 66 R HN 0.344 nan 8.270 nan 0.000 0.457 67 L N 3.174 124.258 121.223 -0.232 0.000 2.276 67 L HA 0.413 4.767 4.340 0.024 0.000 0.286 67 L C -0.910 175.786 176.870 -0.290 0.000 1.061 67 L CA -0.345 54.391 54.840 -0.173 0.000 0.807 67 L CB 0.503 42.443 42.059 -0.197 0.000 1.177 67 L HN 0.493 nan 8.230 nan 0.000 0.429 68 Y N 0.823 121.062 120.300 -0.102 0.000 2.393 68 Y HA 0.172 4.737 4.550 0.024 0.000 0.341 68 Y C -0.073 175.791 175.900 -0.059 0.000 0.988 68 Y CA -0.673 57.380 58.100 -0.079 0.000 1.078 68 Y CB 1.881 40.292 38.460 -0.082 0.000 1.203 68 Y HN 0.477 nan 8.280 nan 0.000 0.453 69 D N 2.704 123.162 120.400 0.097 0.000 2.638 69 D HA 0.404 5.058 4.640 0.024 0.000 0.245 69 D C 0.777 177.125 176.300 0.081 0.000 1.176 69 D CA 1.038 55.073 54.000 0.059 0.000 0.996 69 D CB -0.275 40.535 40.800 0.015 0.000 1.012 69 D HN 0.836 nan 8.370 nan 0.000 0.515 70 G N 2.452 111.304 108.800 0.086 0.000 2.687 70 G HA2 -0.371 3.603 3.960 0.024 0.000 0.303 70 G HA3 -0.371 3.603 3.960 0.024 0.000 0.303 70 G C 1.067 176.005 174.900 0.063 0.000 1.209 70 G CA 0.242 45.371 45.100 0.049 0.000 0.968 70 G HN 0.422 nan 8.290 nan 0.000 0.549 71 E N 1.788 122.025 120.200 0.061 0.000 2.230 71 E HA 0.115 4.479 4.350 0.024 0.000 0.192 71 E C 1.377 178.084 176.600 0.178 0.000 0.987 71 E CA 0.702 57.142 56.400 0.066 0.000 0.841 71 E CB 0.015 29.733 29.700 0.030 0.000 0.783 71 E HN 0.680 nan 8.360 nan 0.000 0.481 72 E N 0.896 121.188 120.200 0.153 0.000 2.313 72 E HA 0.132 4.497 4.350 0.024 0.000 0.276 72 E C -0.274 176.362 176.600 0.060 0.000 1.031 72 E CA -0.214 56.246 56.400 0.101 0.000 0.857 72 E CB 0.729 30.450 29.700 0.034 0.000 1.040 72 E HN -0.044 nan 8.360 nan 0.000 0.408 73 M N 4.701 124.233 119.600 -0.114 0.000 2.235 73 M HA 0.089 4.584 4.480 0.024 0.000 0.351 73 M C -0.267 175.858 176.300 -0.293 0.000 1.178 73 M CA -0.235 54.764 55.300 -0.502 0.000 1.143 73 M CB 1.176 33.503 32.600 -0.455 0.000 1.530 73 M HN 0.508 nan 8.290 nan 0.000 0.461 74 V N 2.055 121.772 119.914 -0.328 0.000 2.806 74 V HA 0.244 4.378 4.120 0.024 0.000 0.239 74 V C 0.233 176.243 176.094 -0.140 0.000 1.113 74 V CA 0.767 62.959 62.300 -0.181 0.000 1.137 74 V CB 0.266 31.997 31.823 -0.154 0.000 0.865 74 V HN 0.941 nan 8.190 nan 0.000 0.482 75 D N -1.476 118.822 120.400 -0.171 0.000 2.764 75 D HA 0.206 4.860 4.640 0.024 0.000 0.293 75 D C -1.462 174.773 176.300 -0.108 0.000 1.287 75 D CA -0.554 53.404 54.000 -0.069 0.000 0.768 75 D CB 1.708 42.515 40.800 0.011 0.000 1.288 75 D HN 0.162 nan 8.370 nan 0.000 0.426 76 E N 0.944 121.134 120.200 -0.016 0.000 2.134 76 E HA 0.561 4.926 4.350 0.024 0.000 0.278 76 E C -0.623 175.904 176.600 -0.120 0.000 0.959 76 E CA -0.691 55.646 56.400 -0.104 0.000 0.783 76 E CB 1.123 30.837 29.700 0.022 0.000 1.095 76 E HN 0.331 nan 8.360 nan 0.000 0.399 77 V N 1.530 121.362 119.914 -0.137 0.000 3.102 77 V HA 0.630 4.764 4.120 0.024 0.000 0.312 77 V C -0.704 175.438 176.094 0.079 0.000 1.135 77 V CA -1.030 61.276 62.300 0.010 0.000 1.022 77 V CB 1.589 33.498 31.823 0.142 0.000 1.056 77 V HN 0.539 nan 8.190 nan 0.000 0.436 78 I N 2.509 123.170 120.570 0.151 0.000 2.359 78 I HA 0.788 4.972 4.170 0.024 0.000 0.294 78 I C 0.493 176.681 176.117 0.118 0.000 0.987 78 I CA -0.334 61.083 61.300 0.194 0.000 1.225 78 I CB 1.679 39.787 38.000 0.179 0.000 1.366 78 I HN 0.993 nan 8.210 nan 0.000 0.466 79 A N 6.629 129.461 122.820 0.020 0.000 2.273 79 A HA 0.732 5.067 4.320 0.024 0.000 0.315 79 A C -1.105 176.365 177.584 -0.191 0.000 1.256 79 A CA -0.516 51.388 52.037 -0.222 0.000 0.851 79 A CB 0.763 19.366 19.000 -0.661 0.000 1.172 79 A HN 0.567 nan 8.150 nan 0.000 0.508 80 L N 3.866 124.936 121.223 -0.254 0.000 2.282 80 L HA 0.600 4.955 4.340 0.024 0.000 0.288 80 L C -0.626 176.000 176.870 -0.407 0.000 1.033 80 L CA -0.246 54.413 54.840 -0.302 0.000 0.807 80 L CB 1.590 43.471 42.059 -0.297 0.000 1.209 80 L HN 0.380 nan 8.230 nan 0.000 0.423 81 V N 6.500 126.169 119.914 -0.409 0.000 2.350 81 V HA 0.388 4.523 4.120 0.024 0.000 0.276 81 V C -0.348 175.414 176.094 -0.554 0.000 1.028 81 V CA -0.271 61.827 62.300 -0.337 0.000 0.860 81 V CB 0.791 32.536 31.823 -0.130 0.000 0.990 81 V HN 0.519 nan 8.190 nan 0.000 0.453 82 F N 4.533 124.343 119.950 -0.232 0.000 2.421 82 F HA 0.639 5.181 4.527 0.024 0.000 0.337 82 F C 0.750 176.442 175.800 -0.181 0.000 1.105 82 F CA -0.389 57.428 58.000 -0.305 0.000 1.049 82 F CB 1.788 40.621 39.000 -0.278 0.000 1.139 82 F HN 0.375 nan 8.300 nan 0.000 0.479 83 R N 1.559 122.064 120.500 0.007 0.000 1.805 83 R HA 0.596 4.950 4.340 0.024 0.000 0.126 83 R C 1.568 177.891 176.300 0.039 0.000 2.041 83 R CA 0.636 56.747 56.100 0.019 0.000 1.762 83 R CB -0.487 29.819 30.300 0.011 0.000 1.390 83 R HN 0.752 nan 8.270 nan 0.000 0.488 84 A N 1.180 124.029 122.820 0.048 0.000 2.099 84 A HA 0.061 4.395 4.320 0.024 0.000 0.206 84 A C -1.238 176.368 177.584 0.038 0.000 1.464 84 A CA 0.939 52.999 52.037 0.038 0.000 0.603 84 A CB -1.422 17.601 19.000 0.037 0.000 1.056 84 A HN 0.581 nan 8.150 nan 0.000 0.492 85 P HA 0.145 nan 4.420 nan 0.000 0.261 85 P C -0.241 177.101 177.300 0.069 0.000 1.268 85 P CA 0.149 63.274 63.100 0.043 0.000 0.833 85 P CB 0.065 31.788 31.700 0.038 0.000 1.231 86 R N 1.116 121.681 120.500 0.109 0.000 3.701 86 R HA 0.372 4.727 4.340 0.024 0.000 0.210 86 R C 0.239 176.641 176.300 0.171 0.000 1.598 86 R CA 0.111 56.328 56.100 0.193 0.000 1.427 86 R CB -0.278 30.205 30.300 0.305 0.000 1.339 86 R HN 0.217 nan 8.270 nan 0.000 0.720 87 S N -0.886 114.868 115.700 0.090 0.000 2.615 87 S HA 0.146 4.631 4.470 0.024 0.000 0.268 87 S C 0.175 174.761 174.600 -0.024 0.000 1.146 87 S CA -0.970 57.194 58.200 -0.060 0.000 0.818 87 S CB 0.339 63.469 63.200 -0.117 0.000 1.111 87 S HN 0.211 nan 8.310 nan 0.000 0.465 88 F N 2.646 122.438 119.950 -0.262 0.000 2.091 88 F HA -0.066 4.475 4.527 0.024 0.000 0.299 88 F C 2.506 178.287 175.800 -0.032 0.000 1.103 88 F CA 2.831 60.755 58.000 -0.128 0.000 1.228 88 F CB -0.728 38.170 39.000 -0.171 0.000 0.984 88 F HN 0.897 nan 8.300 nan 0.000 0.477 89 T N -2.301 112.190 114.554 -0.105 0.000 3.107 89 T HA 0.494 4.859 4.350 0.024 0.000 0.249 89 T C 1.445 176.079 174.700 -0.109 0.000 1.096 89 T CA 0.456 62.461 62.100 -0.159 0.000 1.012 89 T CB -0.274 68.601 68.868 0.011 0.000 0.977 89 T HN 0.780 nan 8.240 nan 0.000 0.527 90 A N 0.619 123.395 122.820 -0.073 0.000 3.768 90 A HA -0.260 4.075 4.320 0.024 0.000 0.270 90 A C 0.386 177.958 177.584 -0.019 0.000 1.019 90 A CA 1.734 53.750 52.037 -0.036 0.000 1.058 90 A CB -2.221 16.750 19.000 -0.049 0.000 1.085 90 A HN 0.798 nan 8.150 nan 0.000 0.857 91 E N 0.094 120.281 120.200 -0.020 0.000 2.280 91 E HA 0.465 4.830 4.350 0.024 0.000 0.261 91 E C 0.374 176.982 176.600 0.013 0.000 1.088 91 E CA -0.349 56.047 56.400 -0.006 0.000 0.915 91 E CB 0.251 29.944 29.700 -0.012 0.000 1.141 91 E HN 0.695 nan 8.360 nan 0.000 0.433 92 Q N 1.728 121.538 119.800 0.017 0.000 2.313 92 Q HA 0.261 4.615 4.340 0.024 0.000 0.266 92 Q C -0.472 175.555 176.000 0.045 0.000 0.989 92 Q CA -0.003 55.819 55.803 0.033 0.000 0.890 92 Q CB 0.500 29.248 28.738 0.018 0.000 1.200 92 Q HN 0.505 nan 8.270 nan 0.000 0.396 93 M N 1.231 120.879 119.600 0.080 0.000 2.631 93 M HA 0.772 5.267 4.480 0.024 0.000 0.288 93 M C -1.557 174.804 176.300 0.103 0.000 1.260 93 M CA -1.363 53.988 55.300 0.085 0.000 0.842 93 M CB 2.295 34.938 32.600 0.070 0.000 1.743 93 M HN 0.472 nan 8.290 nan 0.000 0.461 94 V N 0.726 120.635 119.914 -0.008 0.000 2.760 94 V HA 0.554 4.688 4.120 0.024 0.000 0.309 94 V C -1.593 174.318 176.094 -0.306 0.000 1.077 94 V CA -0.092 62.093 62.300 -0.191 0.000 0.910 94 V CB 2.500 34.065 31.823 -0.431 0.000 1.008 94 V HN 1.007 nan 8.190 nan 0.000 0.424 95 E N 6.322 126.367 120.200 -0.258 0.000 2.114 95 E HA 0.394 4.758 4.350 0.024 0.000 0.266 95 E C -1.580 174.826 176.600 -0.322 0.000 0.896 95 E CA -0.383 55.888 56.400 -0.215 0.000 0.750 95 E CB 1.592 31.289 29.700 -0.004 0.000 1.121 95 E HN 0.628 nan 8.360 nan 0.000 0.413 96 F N 1.682 121.626 119.950 -0.010 0.000 2.438 96 F HA 0.109 4.650 4.527 0.024 0.000 0.360 96 F C 1.216 177.010 175.800 -0.010 0.000 1.118 96 F CA -0.412 57.575 58.000 -0.022 0.000 1.164 96 F CB 0.963 39.959 39.000 -0.007 0.000 1.131 96 F HN 0.171 nan 8.300 nan 0.000 0.527 97 T N 4.489 119.117 114.554 0.123 0.000 2.743 97 T HA 0.559 4.924 4.350 0.024 0.000 0.293 97 T C -0.193 174.538 174.700 0.052 0.000 0.945 97 T CA -0.477 61.665 62.100 0.070 0.000 1.030 97 T CB -0.225 68.663 68.868 0.034 0.000 0.912 97 T HN 0.863 nan 8.240 nan 0.000 0.483 98 C N 3.350 122.663 119.300 0.021 0.000 3.307 98 C HA 0.675 5.149 4.460 0.024 0.000 0.350 98 C C 0.036 174.985 174.990 -0.068 0.000 1.549 98 C CA -1.177 57.817 59.018 -0.040 0.000 1.396 98 C CB 0.076 27.830 27.740 0.023 0.000 1.970 98 C HN 0.967 nan 8.230 nan 0.000 0.441 99 H N -0.014 119.076 119.070 0.034 0.000 2.886 99 H HA 0.390 4.960 4.556 0.024 0.000 0.329 99 H C 1.364 176.703 175.328 0.019 0.000 1.044 99 H CA 1.236 57.299 56.048 0.025 0.000 1.456 99 H CB 0.774 30.546 29.762 0.015 0.000 1.464 99 H HN 0.993 nan 8.280 nan 0.000 0.573 100 G N 3.123 112.011 108.800 0.146 0.000 3.375 100 G HA2 0.127 4.102 3.960 0.024 0.000 0.247 100 G HA3 0.127 4.102 3.960 0.024 0.000 0.247 100 G C 0.550 175.487 174.900 0.061 0.000 1.343 100 G CA 0.106 45.252 45.100 0.078 0.000 1.368 100 G HN 0.706 nan 8.290 nan 0.000 0.549 101 G N 0.139 108.979 108.800 0.066 0.000 2.343 101 G HA2 0.497 4.471 3.960 0.024 0.000 0.319 101 G HA3 0.497 4.471 3.960 0.024 0.000 0.319 101 G C -1.327 173.591 174.900 0.030 0.000 1.126 101 G CA -1.150 43.972 45.100 0.037 0.000 0.889 101 G HN -0.068 nan 8.290 nan 0.000 0.457 102 P HA -0.210 nan 4.420 nan 0.000 0.217 102 P C 2.328 179.638 177.300 0.017 0.000 1.162 102 P CA 2.164 65.276 63.100 0.019 0.000 0.901 102 P CB 0.045 31.754 31.700 0.015 0.000 0.793 103 V N -2.629 117.292 119.914 0.011 0.000 2.287 103 V HA -0.231 3.904 4.120 0.024 0.000 0.248 103 V C 2.205 178.304 176.094 0.008 0.000 1.053 103 V CA 2.373 64.677 62.300 0.007 0.000 1.027 103 V CB -2.055 29.768 31.823 -0.000 0.000 0.646 103 V HN -0.040 nan 8.190 nan 0.000 0.447 104 V N -0.099 119.822 119.914 0.013 0.000 2.270 104 V HA -0.171 3.963 4.120 0.024 0.000 0.245 104 V C 2.655 178.762 176.094 0.021 0.000 1.043 104 V CA 1.977 64.287 62.300 0.017 0.000 1.014 104 V CB -0.752 31.095 31.823 0.041 0.000 0.645 104 V HN 0.406 nan 8.190 nan 0.000 0.447 105 V N 1.266 121.199 119.914 0.032 0.000 2.392 105 V HA -0.178 3.956 4.120 0.024 0.000 0.249 105 V C 2.484 178.595 176.094 0.028 0.000 1.059 105 V CA 2.460 64.780 62.300 0.034 0.000 1.051 105 V CB -0.826 31.021 31.823 0.039 0.000 0.658 105 V HN 0.587 nan 8.190 nan 0.000 0.455 106 G N -0.470 108.345 108.800 0.024 0.000 2.418 106 G HA2 -0.336 3.639 3.960 0.024 0.000 0.217 106 G HA3 -0.336 3.639 3.960 0.024 0.000 0.217 106 G C 1.635 176.544 174.900 0.016 0.000 1.158 106 G CA 0.948 46.061 45.100 0.023 0.000 0.771 106 G HN 0.502 nan 8.290 nan 0.000 0.545 107 R N 0.020 120.524 120.500 0.006 0.000 2.148 107 R HA 0.088 4.443 4.340 0.024 0.000 0.223 107 R C 2.462 178.753 176.300 -0.015 0.000 1.088 107 R CA 1.007 57.104 56.100 -0.005 0.000 0.985 107 R CB -0.584 29.708 30.300 -0.013 0.000 0.880 107 R HN 0.215 nan 8.270 nan 0.000 0.451 108 V N 0.715 120.620 119.914 -0.014 0.000 2.358 108 V HA -0.182 3.952 4.120 0.024 0.000 0.246 108 V C 2.123 178.210 176.094 -0.013 0.000 1.047 108 V CA 1.589 63.868 62.300 -0.035 0.000 1.035 108 V CB -0.541 31.268 31.823 -0.024 0.000 0.658 108 V HN 0.327 nan 8.190 nan 0.000 0.452 109 L N 0.369 121.606 121.223 0.023 0.000 2.017 109 L HA -0.158 4.197 4.340 0.024 0.000 0.208 109 L C 2.540 179.434 176.870 0.039 0.000 1.073 109 L CA 2.070 56.939 54.840 0.048 0.000 0.745 109 L CB -0.732 41.361 42.059 0.058 0.000 0.894 109 L HN 0.155 nan 8.230 nan 0.000 0.432 110 R N -0.939 119.576 120.500 0.025 0.000 2.120 110 R HA -0.176 4.178 4.340 0.024 0.000 0.234 110 R C 2.275 178.584 176.300 0.015 0.000 1.123 110 R CA 1.594 57.708 56.100 0.022 0.000 0.975 110 R CB -0.396 29.913 30.300 0.016 0.000 0.866 110 R HN 0.432 nan 8.270 nan 0.000 0.446 111 L N 0.345 121.566 121.223 -0.003 0.000 2.083 111 L HA -0.177 4.177 4.340 0.024 0.000 0.209 111 L C 1.994 178.864 176.870 -0.001 0.000 1.083 111 L CA 1.661 56.491 54.840 -0.015 0.000 0.752 111 L CB -0.188 41.838 42.059 -0.056 0.000 0.899 111 L HN 0.172 nan 8.230 nan 0.000 0.433 112 M N -1.153 118.456 119.600 0.014 0.000 2.156 112 M HA -0.105 4.389 4.480 0.024 0.000 0.264 112 M C 2.305 178.646 176.300 0.069 0.000 1.067 112 M CA 1.586 56.921 55.300 0.058 0.000 1.131 112 M CB -1.185 31.480 32.600 0.109 0.000 1.368 112 M HN 0.262 nan 8.290 nan 0.000 0.416 113 L N -0.153 121.107 121.223 0.062 0.000 2.017 113 L HA -0.220 4.134 4.340 0.024 0.000 0.208 113 L C 1.935 178.836 176.870 0.052 0.000 1.073 113 L CA 1.044 55.921 54.840 0.062 0.000 0.745 113 L CB -0.837 41.254 42.059 0.054 0.000 0.894 113 L HN 0.232 nan 8.230 nan 0.000 0.432 114 D N -0.199 120.224 120.400 0.038 0.000 2.309 114 D HA -0.131 4.523 4.640 0.024 0.000 0.212 114 D C 1.393 177.714 176.300 0.035 0.000 0.968 114 D CA 0.917 54.936 54.000 0.032 0.000 0.882 114 D CB -0.181 40.633 40.800 0.023 0.000 0.918 114 D HN 0.316 nan 8.370 nan 0.000 0.503 115 N N -0.717 118.007 118.700 0.040 0.000 2.251 115 N HA 0.150 4.904 4.740 0.024 0.000 0.217 115 N C 0.967 176.506 175.510 0.047 0.000 1.124 115 N CA 0.384 53.458 53.050 0.041 0.000 0.843 115 N CB 1.732 40.242 38.487 0.038 0.000 1.024 115 N HN 0.209 nan 8.380 nan 0.000 0.501 116 G N -0.047 108.788 108.800 0.058 0.000 2.367 116 G HA2 -0.191 3.783 3.960 0.024 0.000 0.181 116 G HA3 -0.191 3.783 3.960 0.024 0.000 0.181 116 G C 0.086 175.045 174.900 0.098 0.000 1.000 116 G CA -0.548 44.590 45.100 0.064 0.000 0.693 116 G HN 0.318 nan 8.290 nan 0.000 0.480 117 C N 1.920 121.281 119.300 0.102 0.000 2.452 117 C HA 0.709 5.183 4.460 0.024 0.000 0.379 117 C C 1.049 176.124 174.990 0.143 0.000 1.275 117 C CA -0.576 58.521 59.018 0.131 0.000 2.056 117 C CB 0.595 28.407 27.740 0.119 0.000 2.506 117 C HN 0.568 nan 8.230 nan 0.000 0.560 118 R N 2.013 122.618 120.500 0.176 0.000 2.459 118 R HA 0.487 4.842 4.340 0.024 0.000 0.281 118 R C -0.403 175.932 176.300 0.057 0.000 1.050 118 R CA -0.699 55.445 56.100 0.072 0.000 1.055 118 R CB 0.501 30.779 30.300 -0.037 0.000 1.045 118 R HN 0.740 nan 8.270 nan 0.000 0.495 119 L N 3.669 124.916 121.223 0.039 0.000 2.455 119 L HA 0.200 4.554 4.340 0.024 0.000 0.272 119 L C -0.233 176.653 176.870 0.026 0.000 1.174 119 L CA 0.531 55.401 54.840 0.050 0.000 0.869 119 L CB 0.732 42.821 42.059 0.049 0.000 1.130 119 L HN 0.811 nan 8.230 nan 0.000 0.474 120 A N 4.864 127.706 122.820 0.038 0.000 2.507 120 A HA 0.207 4.541 4.320 0.024 0.000 0.235 120 A C 0.210 177.805 177.584 0.018 0.000 1.070 120 A CA -0.115 51.906 52.037 -0.028 0.000 0.768 120 A CB -0.038 18.947 19.000 -0.025 0.000 1.011 120 A HN 0.845 nan 8.150 nan 0.000 0.502 121 E N 1.266 121.456 120.200 -0.016 0.000 2.250 121 E HA 0.350 4.714 4.350 0.024 0.000 0.265 121 E C -2.470 174.177 176.600 0.078 0.000 1.033 121 E CA -2.034 54.380 56.400 0.025 0.000 0.888 121 E CB 0.455 30.153 29.700 -0.004 0.000 1.151 121 E HN 0.383 nan 8.360 nan 0.000 0.412 122 P HA -0.123 nan 4.420 nan 0.000 0.255 122 P C 0.514 177.944 177.300 0.217 0.000 1.161 122 P CA 1.450 64.662 63.100 0.187 0.000 0.768 122 P CB 0.043 31.843 31.700 0.167 0.000 0.746 123 G N 3.217 112.222 108.800 0.341 0.000 2.257 123 G HA2 -0.404 3.570 3.960 0.024 0.000 0.267 123 G HA3 -0.404 3.570 3.960 0.024 0.000 0.267 123 G C 1.236 176.169 174.900 0.055 0.000 0.984 123 G CA 0.688 46.012 45.100 0.374 0.000 0.626 123 G HN 0.539 nan 8.290 nan 0.000 0.540 124 E N -0.393 119.794 120.200 -0.021 0.000 2.164 124 E HA -0.234 4.131 4.350 0.024 0.000 0.206 124 E C 2.054 178.538 176.600 -0.193 0.000 1.032 124 E CA 2.109 58.398 56.400 -0.185 0.000 0.832 124 E CB -0.278 29.291 29.700 -0.219 0.000 0.742 124 E HN 0.646 nan 8.360 nan 0.000 0.460 125 F N 0.401 120.370 119.950 0.031 0.000 2.075 125 F HA -0.195 4.346 4.527 0.024 0.000 0.297 125 F C 2.736 178.557 175.800 0.036 0.000 1.113 125 F CA 1.791 59.853 58.000 0.104 0.000 1.218 125 F CB -0.855 38.312 39.000 0.277 0.000 0.984 125 F HN 0.047 nan 8.300 nan 0.000 0.472 126 T N -0.323 114.455 114.554 0.373 0.000 2.821 126 T HA -0.199 4.165 4.350 0.024 0.000 0.267 126 T C 1.947 176.526 174.700 -0.202 0.000 1.046 126 T CA 1.392 63.616 62.100 0.207 0.000 1.139 126 T CB -0.339 68.928 68.868 0.665 0.000 0.871 126 T HN 0.173 nan 8.240 nan 0.000 0.454 127 R N 1.383 121.473 120.500 -0.682 0.000 2.083 127 R HA -0.061 4.294 4.340 0.024 0.000 0.237 127 R C 2.428 178.555 176.300 -0.288 0.000 1.137 127 R CA 1.498 57.044 56.100 -0.923 0.000 0.951 127 R CB -0.171 29.466 30.300 -1.104 0.000 0.851 127 R HN 0.263 nan 8.270 nan 0.000 0.434 128 R N -0.034 120.316 120.500 -0.249 0.000 2.120 128 R HA -0.055 4.300 4.340 0.024 0.000 0.234 128 R C 2.372 178.562 176.300 -0.184 0.000 1.123 128 R CA 1.144 57.136 56.100 -0.181 0.000 0.975 128 R CB -0.343 29.859 30.300 -0.164 0.000 0.866 128 R HN 0.380 nan 8.270 nan 0.000 0.446 129 A N 1.028 123.692 122.820 -0.261 0.000 1.877 129 A HA -0.211 4.124 4.320 0.024 0.000 0.216 129 A C 1.919 179.442 177.584 -0.101 0.000 1.186 129 A CA 1.256 53.102 52.037 -0.318 0.000 0.620 129 A CB -0.587 18.014 19.000 -0.664 0.000 0.822 129 A HN 0.383 nan 8.150 nan 0.000 0.443 130 F N 0.200 120.069 119.950 -0.135 0.000 2.084 130 F HA -0.077 4.465 4.527 0.025 0.000 0.296 130 F C 1.734 177.511 175.800 -0.039 0.000 1.111 130 F CA 1.387 59.370 58.000 -0.029 0.000 1.224 130 F CB -0.492 38.559 39.000 0.085 0.000 0.991 130 F HN 0.116 nan 8.300 nan 0.000 0.471 131 L N 1.087 122.120 121.223 -0.317 0.000 2.079 131 L HA -0.229 4.126 4.340 0.024 0.000 0.210 131 L C 1.737 178.426 176.870 -0.302 0.000 1.081 131 L CA 1.583 56.189 54.840 -0.389 0.000 0.752 131 L CB -1.333 40.621 42.059 -0.175 0.000 0.896 131 L HN 0.218 nan 8.230 nan 0.000 0.433 132 N N -0.437 118.136 118.700 -0.212 0.000 2.398 132 N HA 0.113 4.868 4.740 0.024 0.000 0.188 132 N C 1.335 176.760 175.510 -0.142 0.000 1.122 132 N CA 0.862 53.820 53.050 -0.153 0.000 0.866 132 N CB 0.330 38.749 38.487 -0.112 0.000 0.970 132 N HN 0.346 nan 8.380 nan 0.000 0.462 133 G N 1.017 109.707 108.800 -0.184 0.000 2.136 133 G HA2 -0.337 3.637 3.960 0.024 0.000 0.242 133 G HA3 -0.337 3.637 3.960 0.024 0.000 0.242 133 G C 0.966 175.835 174.900 -0.053 0.000 0.989 133 G CA 0.341 45.361 45.100 -0.133 0.000 0.682 133 G HN 0.404 nan 8.290 nan 0.000 0.522 134 R N -1.049 119.423 120.500 -0.047 0.000 2.200 134 R HA 0.402 4.756 4.340 0.024 0.000 0.208 134 R C 0.470 176.788 176.300 0.029 0.000 1.033 134 R CA 0.727 56.819 56.100 -0.012 0.000 1.000 134 R CB 0.037 30.315 30.300 -0.036 0.000 0.906 134 R HN 0.446 nan 8.270 nan 0.000 0.462 135 I N 0.802 121.405 120.570 0.056 0.000 2.769 135 I HA 0.117 4.301 4.170 0.024 0.000 0.298 135 I C -1.154 175.117 176.117 0.257 0.000 1.128 135 I CA -1.192 60.191 61.300 0.138 0.000 1.031 135 I CB 2.003 40.086 38.000 0.137 0.000 1.235 135 I HN 0.047 nan 8.210 nan 0.000 0.423 136 D N 4.413 124.967 120.400 0.257 0.000 2.387 136 D HA 0.152 4.806 4.640 0.024 0.000 0.255 136 D C 0.816 177.279 176.300 0.272 0.000 1.081 136 D CA -0.442 53.774 54.000 0.359 0.000 0.994 136 D CB 0.706 41.636 40.800 0.218 0.000 1.127 136 D HN 0.387 nan 8.370 nan 0.000 0.513 137 L N 0.151 121.421 121.223 0.079 0.000 2.131 137 L HA -0.033 4.321 4.340 0.024 0.000 0.210 137 L C 1.944 178.753 176.870 -0.101 0.000 1.092 137 L CA 1.417 56.033 54.840 -0.373 0.000 0.759 137 L CB -0.519 41.193 42.059 -0.578 0.000 0.903 137 L HN 0.569 nan 8.230 nan 0.000 0.435 138 L N -1.283 119.959 121.223 0.032 0.000 2.017 138 L HA -0.249 4.105 4.340 0.024 0.000 0.208 138 L C 2.593 179.516 176.870 0.087 0.000 1.073 138 L CA 1.548 56.437 54.840 0.080 0.000 0.745 138 L CB -0.440 41.663 42.059 0.074 0.000 0.894 138 L HN 0.389 nan 8.230 nan 0.000 0.432 139 Q N -0.546 119.318 119.800 0.106 0.000 2.119 139 Q HA -0.170 4.185 4.340 0.024 0.000 0.201 139 Q C 2.343 178.456 176.000 0.190 0.000 0.972 139 Q CA 1.491 57.374 55.803 0.134 0.000 0.847 139 Q CB -0.236 28.585 28.738 0.139 0.000 0.903 139 Q HN 0.538 nan 8.270 nan 0.000 0.433 140 A N 1.302 124.244 122.820 0.202 0.000 1.972 140 A HA -0.219 4.115 4.320 0.024 0.000 0.219 140 A C 1.828 179.617 177.584 0.343 0.000 1.169 140 A CA 1.322 53.543 52.037 0.307 0.000 0.635 140 A CB -0.292 18.884 19.000 0.294 0.000 0.810 140 A HN 0.305 nan 8.150 nan 0.000 0.446 141 E N -0.361 119.945 120.200 0.178 0.000 2.107 141 E HA -0.076 4.289 4.350 0.024 0.000 0.191 141 E C 2.334 179.076 176.600 0.237 0.000 0.982 141 E CA 0.823 57.346 56.400 0.205 0.000 0.809 141 E CB -0.243 29.524 29.700 0.113 0.000 0.756 141 E HN 0.615 nan 8.360 nan 0.000 0.459 142 A N 1.334 124.256 122.820 0.171 0.000 1.933 142 A HA -0.161 4.174 4.320 0.024 0.000 0.218 142 A C 2.151 179.814 177.584 0.132 0.000 1.175 142 A CA 0.906 53.016 52.037 0.122 0.000 0.628 142 A CB -0.548 18.504 19.000 0.087 0.000 0.814 142 A HN 0.125 nan 8.150 nan 0.000 0.444 143 I N -0.326 120.357 120.570 0.189 0.000 2.127 143 I HA -0.254 3.931 4.170 0.024 0.000 0.241 143 I C 2.717 178.862 176.117 0.048 0.000 1.075 143 I CA 1.379 62.776 61.300 0.160 0.000 1.334 143 I CB -0.581 37.593 38.000 0.289 0.000 1.040 143 I HN 0.405 nan 8.210 nan 0.000 0.405 144 G N -0.224 108.574 108.800 -0.003 0.000 2.422 144 G HA2 -0.213 3.761 3.960 0.024 0.000 0.218 144 G HA3 -0.213 3.761 3.960 0.024 0.000 0.218 144 G C 1.537 176.424 174.900 -0.022 0.000 1.146 144 G CA 0.505 45.397 45.100 -0.347 0.000 0.769 144 G HN 0.404 nan 8.290 nan 0.000 0.547 145 E N -0.569 119.669 120.200 0.063 0.000 2.106 145 E HA -0.054 4.310 4.350 0.024 0.000 0.192 145 E C 2.339 178.985 176.600 0.078 0.000 0.984 145 E CA 0.622 57.071 56.400 0.082 0.000 0.806 145 E CB -0.159 29.588 29.700 0.079 0.000 0.750 145 E HN 0.455 nan 8.360 nan 0.000 0.458 146 M N 0.535 120.175 119.600 0.066 0.000 2.132 146 M HA -0.154 4.341 4.480 0.024 0.000 0.263 146 M C 2.075 178.399 176.300 0.041 0.000 1.065 146 M CA 1.367 56.720 55.300 0.088 0.000 1.122 146 M CB 0.034 32.691 32.600 0.094 0.000 1.365 146 M HN 0.075 nan 8.290 nan 0.000 0.411 147 I N -0.674 119.870 120.570 -0.043 0.000 2.142 147 I HA -0.345 3.839 4.170 0.024 0.000 0.240 147 I C 2.058 178.054 176.117 -0.201 0.000 1.078 147 I CA 1.225 62.423 61.300 -0.170 0.000 1.343 147 I CB -0.663 37.153 38.000 -0.308 0.000 1.046 147 I HN 0.356 nan 8.210 nan 0.000 0.405 148 H N 0.811 119.845 119.070 -0.062 0.000 2.547 148 H HA 0.273 4.844 4.556 0.024 0.000 0.266 148 H C 1.059 176.376 175.328 -0.019 0.000 0.988 148 H CA 0.316 56.338 56.048 -0.044 0.000 1.147 148 H CB -0.206 29.524 29.762 -0.052 0.000 1.365 148 H HN 0.273 nan 8.280 nan 0.000 0.589 149 A N 1.412 124.284 122.820 0.086 0.000 2.555 149 A HA 0.040 4.375 4.320 0.024 0.000 0.233 149 A C 1.019 178.629 177.584 0.043 0.000 1.060 149 A CA 0.294 52.374 52.037 0.072 0.000 0.759 149 A CB 0.247 19.311 19.000 0.106 0.000 0.995 149 A HN 0.504 nan 8.150 nan 0.000 0.506 150 R N -0.039 120.483 120.500 0.037 0.000 2.566 150 R HA 0.188 4.542 4.340 0.024 0.000 0.388 150 R C -0.840 175.473 176.300 0.022 0.000 0.989 150 R CA 0.248 56.361 56.100 0.022 0.000 1.164 150 R CB 0.850 31.163 30.300 0.021 0.000 1.459 150 R HN 0.739 nan 8.270 nan 0.000 0.553 151 T N -0.939 113.637 114.554 0.037 0.000 2.883 151 T HA 0.120 4.484 4.350 0.024 0.000 0.301 151 T C 0.419 175.172 174.700 0.089 0.000 1.158 151 T CA -0.787 61.338 62.100 0.041 0.000 1.007 151 T CB 2.659 71.536 68.868 0.014 0.000 1.186 151 T HN -0.161 nan 8.240 nan 0.000 0.499 152 E N 1.743 121.996 120.200 0.088 0.000 2.058 152 E HA -0.164 4.201 4.350 0.024 0.000 0.194 152 E C 2.251 178.936 176.600 0.143 0.000 0.997 152 E CA 2.341 58.832 56.400 0.151 0.000 0.801 152 E CB -0.359 29.401 29.700 0.099 0.000 0.746 152 E HN 0.657 nan 8.360 nan 0.000 0.450 153 S N 0.215 115.956 115.700 0.068 0.000 2.356 153 S HA -0.141 4.343 4.470 0.024 0.000 0.223 153 S C 2.296 176.907 174.600 0.018 0.000 1.032 153 S CA 1.340 59.559 58.200 0.031 0.000 1.005 153 S CB -0.884 62.323 63.200 0.012 0.000 0.867 153 S HN 0.382 nan 8.310 nan 0.000 0.449 154 A N 1.466 124.303 122.820 0.028 0.000 1.873 154 A HA -0.110 4.224 4.320 0.024 0.000 0.218 154 A C 2.135 179.758 177.584 0.066 0.000 1.193 154 A CA 1.903 53.956 52.037 0.027 0.000 0.629 154 A CB -1.514 17.502 19.000 0.027 0.000 0.826 154 A HN 0.761 nan 8.150 nan 0.000 0.447 155 Y N 0.513 120.806 120.300 -0.011 0.000 2.097 155 Y HA -0.230 4.335 4.550 0.024 0.000 0.282 155 Y C 2.388 178.287 175.900 -0.003 0.000 1.152 155 Y CA 2.168 60.264 58.100 -0.007 0.000 1.136 155 Y CB -0.309 38.145 38.460 -0.010 0.000 0.975 155 Y HN 0.165 nan 8.280 nan 0.000 0.498 156 R N 0.058 120.359 120.500 -0.332 0.000 2.105 156 R HA -0.112 4.242 4.340 0.024 0.000 0.239 156 R C 2.128 178.286 176.300 -0.235 0.000 1.135 156 R CA 1.775 57.633 56.100 -0.404 0.000 0.967 156 R CB -1.556 28.639 30.300 -0.176 0.000 0.861 156 R HN 0.468 nan 8.270 nan 0.000 0.442 157 T N 1.009 115.488 114.554 -0.125 0.000 2.777 157 T HA -0.028 4.337 4.350 0.024 0.000 0.266 157 T C 1.971 176.627 174.700 -0.074 0.000 1.040 157 T CA 1.283 63.338 62.100 -0.075 0.000 1.141 157 T CB -0.234 68.609 68.868 -0.042 0.000 0.868 157 T HN 0.321 nan 8.240 nan 0.000 0.444 158 A N 1.283 124.061 122.820 -0.070 0.000 1.908 158 A HA -0.062 4.273 4.320 0.024 0.000 0.218 158 A C 2.599 180.148 177.584 -0.058 0.000 1.181 158 A CA 1.405 53.421 52.037 -0.035 0.000 0.627 158 A CB -1.145 17.862 19.000 0.012 0.000 0.818 158 A HN 0.343 nan 8.150 nan 0.000 0.445 159 V N -0.213 119.611 119.914 -0.150 0.000 2.287 159 V HA -0.244 3.890 4.120 0.024 0.000 0.248 159 V C 2.864 178.908 176.094 -0.083 0.000 1.053 159 V CA 2.401 64.616 62.300 -0.143 0.000 1.027 159 V CB -0.868 30.784 31.823 -0.285 0.000 0.646 159 V HN 0.717 nan 8.190 nan 0.000 0.447 160 S N -1.077 114.568 115.700 -0.091 0.000 2.383 160 S HA -0.335 4.149 4.470 0.024 0.000 0.229 160 S C 2.079 176.662 174.600 -0.028 0.000 1.030 160 S CA 2.375 60.543 58.200 -0.053 0.000 1.002 160 S CB -0.257 62.912 63.200 -0.052 0.000 0.829 160 S HN 0.695 nan 8.310 nan 0.000 0.467 161 Q N -0.543 119.242 119.800 -0.025 0.000 2.163 161 Q HA 0.085 4.440 4.340 0.024 0.000 0.198 161 Q C 2.227 178.239 176.000 0.021 0.000 0.954 161 Q CA 0.939 56.738 55.803 -0.007 0.000 0.851 161 Q CB -0.159 28.569 28.738 -0.017 0.000 0.928 161 Q HN 0.665 nan 8.270 nan 0.000 0.459 162 M N 0.162 119.778 119.600 0.027 0.000 2.296 162 M HA -0.157 4.338 4.480 0.024 0.000 0.265 162 M C 1.480 177.811 176.300 0.052 0.000 1.064 162 M CA 1.358 56.692 55.300 0.057 0.000 1.109 162 M CB 0.130 32.766 32.600 0.060 0.000 1.396 162 M HN 0.042 nan 8.290 nan 0.000 0.430 163 K N -0.192 120.224 120.400 0.028 0.000 2.148 163 K HA -0.043 4.291 4.320 0.024 0.000 0.204 163 K C 0.991 177.610 176.600 0.032 0.000 1.050 163 K CA 1.081 57.384 56.287 0.026 0.000 0.942 163 K CB -0.124 32.381 32.500 0.008 0.000 0.724 163 K HN 0.635 nan 8.250 nan 0.000 0.446 164 G N 1.745 110.563 108.800 0.029 0.000 2.167 164 G HA2 -0.174 3.800 3.960 0.024 0.000 0.194 164 G HA3 -0.174 3.800 3.960 0.024 0.000 0.194 164 G C 0.107 175.020 174.900 0.021 0.000 1.027 164 G CA 0.215 45.334 45.100 0.033 0.000 0.717 164 G HN 0.176 nan 8.290 nan 0.000 0.501 165 D N 0.034 120.439 120.400 0.009 0.000 2.104 165 D HA -0.076 4.579 4.640 0.024 0.000 0.194 165 D C 2.574 178.877 176.300 0.005 0.000 0.994 165 D CA 1.076 55.078 54.000 0.004 0.000 0.830 165 D CB -0.021 40.776 40.800 -0.005 0.000 0.959 165 D HN 0.477 nan 8.370 nan 0.000 0.452 166 L N 0.749 121.972 121.223 0.000 0.000 2.083 166 L HA -0.178 4.177 4.340 0.024 0.000 0.209 166 L C 2.305 179.184 176.870 0.015 0.000 1.083 166 L CA 0.998 55.838 54.840 0.000 0.000 0.752 166 L CB -0.092 41.954 42.059 -0.022 0.000 0.899 166 L HN -0.026 nan 8.230 nan 0.000 0.433 167 S N -0.831 114.883 115.700 0.023 0.000 2.368 167 S HA -0.165 4.320 4.470 0.024 0.000 0.225 167 S C 1.860 176.479 174.600 0.032 0.000 1.030 167 S CA 1.343 59.565 58.200 0.036 0.000 0.999 167 S CB -0.252 62.977 63.200 0.048 0.000 0.844 167 S HN 0.275 nan 8.310 nan 0.000 0.459 168 V N 1.653 121.583 119.914 0.026 0.000 2.427 168 V HA -0.090 4.044 4.120 0.024 0.000 0.248 168 V C 2.469 178.574 176.094 0.019 0.000 1.051 168 V CA 1.612 63.925 62.300 0.022 0.000 1.048 168 V CB -0.592 31.241 31.823 0.018 0.000 0.666 168 V HN 0.255 nan 8.190 nan 0.000 0.456 169 R N 0.039 120.549 120.500 0.017 0.000 2.096 169 R HA -0.066 4.288 4.340 0.024 0.000 0.235 169 R C 2.034 178.346 176.300 0.020 0.000 1.127 169 R CA 1.573 57.682 56.100 0.016 0.000 0.968 169 R CB -0.434 29.874 30.300 0.014 0.000 0.861 169 R HN 0.479 nan 8.270 nan 0.000 0.440 170 L N -1.591 119.647 121.223 0.025 0.000 2.049 170 L HA 0.099 4.453 4.340 0.024 0.000 0.203 170 L C 2.392 179.278 176.870 0.027 0.000 1.074 170 L CA 1.227 56.084 54.840 0.029 0.000 0.749 170 L CB -0.828 41.255 42.059 0.039 0.000 0.907 170 L HN 0.397 nan 8.230 nan 0.000 0.439 171 G N -0.194 108.623 108.800 0.027 0.000 2.499 171 G HA2 -0.229 3.745 3.960 0.024 0.000 0.221 171 G HA3 -0.229 3.745 3.960 0.024 0.000 0.221 171 G C 1.528 176.439 174.900 0.017 0.000 1.109 171 G CA 0.857 45.971 45.100 0.023 0.000 0.749 171 G HN 0.510 nan 8.290 nan 0.000 0.568 172 G N 0.784 109.595 108.800 0.017 0.000 2.394 172 G HA2 -0.074 3.900 3.960 0.024 0.000 0.215 172 G HA3 -0.074 3.900 3.960 0.024 0.000 0.215 172 G C 1.747 176.654 174.900 0.013 0.000 1.165 172 G CA 0.673 45.781 45.100 0.013 0.000 0.784 172 G HN 0.439 nan 8.290 nan 0.000 0.535 173 L N -0.325 120.907 121.223 0.015 0.000 2.109 173 L HA 0.054 4.408 4.340 0.024 0.000 0.207 173 L C 3.076 179.954 176.870 0.014 0.000 1.086 173 L CA 0.567 55.416 54.840 0.015 0.000 0.760 173 L CB -0.443 41.627 42.059 0.019 0.000 0.910 173 L HN 0.101 nan 8.230 nan 0.000 0.437 174 R N 0.935 121.444 120.500 0.015 0.000 2.096 174 R HA -0.235 4.120 4.340 0.024 0.000 0.240 174 R C 2.216 178.519 176.300 0.005 0.000 1.139 174 R CA 2.177 58.283 56.100 0.011 0.000 0.952 174 R CB -0.379 29.930 30.300 0.014 0.000 0.854 174 R HN 0.594 nan 8.270 nan 0.000 0.436 175 E N 0.256 120.459 120.200 0.006 0.000 2.285 175 E HA -0.152 4.212 4.350 0.024 0.000 0.194 175 E C 1.791 178.392 176.600 0.002 0.000 0.997 175 E CA 0.630 57.032 56.400 0.003 0.000 0.845 175 E CB -0.013 29.690 29.700 0.004 0.000 0.782 175 E HN 0.355 nan 8.360 nan 0.000 0.491 176 Q N 0.550 120.353 119.800 0.005 0.000 2.083 176 Q HA -0.002 4.353 4.340 0.024 0.000 0.198 176 Q C 2.221 178.223 176.000 0.003 0.000 0.969 176 Q CA 1.070 56.876 55.803 0.005 0.000 0.838 176 Q CB 0.040 28.782 28.738 0.007 0.000 0.900 176 Q HN 0.356 nan 8.270 nan 0.000 0.436 177 L N 0.273 121.498 121.223 0.003 0.000 2.056 177 L HA -0.195 4.160 4.340 0.024 0.000 0.207 177 L C 2.204 179.070 176.870 -0.008 0.000 1.078 177 L CA 0.600 55.440 54.840 -0.001 0.000 0.749 177 L CB -0.298 41.762 42.059 0.000 0.000 0.901 177 L HN 0.314 nan 8.230 nan 0.000 0.433 178 I N -0.077 120.488 120.570 -0.009 0.000 2.248 178 I HA -0.340 3.844 4.170 0.024 0.000 0.248 178 I C 2.688 178.798 176.117 -0.011 0.000 1.107 178 I CA 1.572 62.864 61.300 -0.014 0.000 1.373 178 I CB -0.900 37.093 38.000 -0.012 0.000 1.055 178 I HN 0.356 nan 8.210 nan 0.000 0.418 179 R N -0.113 120.384 120.500 -0.005 0.000 2.075 179 R HA -0.096 4.259 4.340 0.024 0.000 0.226 179 R C 2.549 178.848 176.300 -0.002 0.000 1.114 179 R CA 1.497 57.595 56.100 -0.003 0.000 0.972 179 R CB -0.043 30.256 30.300 -0.000 0.000 0.869 179 R HN 0.113 nan 8.270 nan 0.000 0.437 180 S N -0.555 115.144 115.700 -0.001 0.000 2.387 180 S HA -0.123 4.361 4.470 0.024 0.000 0.226 180 S C 2.009 176.608 174.600 -0.001 0.000 1.026 180 S CA 0.981 59.182 58.200 0.001 0.000 0.972 180 S CB -0.346 62.856 63.200 0.004 0.000 0.814 180 S HN 0.556 nan 8.310 nan 0.000 0.477 181 C N 1.480 120.775 119.300 -0.008 0.000 2.432 181 C HA 0.087 4.562 4.460 0.024 0.000 0.277 181 C C 2.879 177.861 174.990 -0.013 0.000 1.249 181 C CA 1.012 60.020 59.018 -0.016 0.000 1.725 181 C CB -1.409 26.313 27.740 -0.030 0.000 2.028 181 C HN 0.657 nan 8.230 nan 0.000 0.477 182 A N -0.796 122.017 122.820 -0.012 0.000 2.209 182 A HA 0.022 4.356 4.320 0.024 0.000 0.212 182 A C 2.027 179.609 177.584 -0.004 0.000 1.158 182 A CA 1.005 53.036 52.037 -0.010 0.000 0.742 182 A CB -0.514 18.480 19.000 -0.010 0.000 0.790 182 A HN 0.721 nan 8.150 nan 0.000 0.472 183 L N -0.857 120.365 121.223 -0.001 0.000 2.068 183 L HA -0.036 4.318 4.340 0.024 0.000 0.204 183 L C 2.241 179.114 176.870 0.006 0.000 1.076 183 L CA 1.295 56.137 54.840 0.003 0.000 0.753 183 L CB -0.161 41.901 42.059 0.004 0.000 0.910 183 L HN 0.398 nan 8.230 nan 0.000 0.439 184 I N -0.399 120.176 120.570 0.008 0.000 2.353 184 I HA -0.213 3.971 4.170 0.024 0.000 0.248 184 I C 2.203 178.328 176.117 0.013 0.000 1.119 184 I CA 0.781 62.089 61.300 0.013 0.000 1.417 184 I CB -0.323 37.689 38.000 0.019 0.000 1.078 184 I HN 0.232 nan 8.210 nan 0.000 0.421 185 E N 0.735 120.939 120.200 0.007 0.000 2.401 185 E HA -0.155 4.210 4.350 0.024 0.000 0.199 185 E C 2.154 178.757 176.600 0.005 0.000 1.023 185 E CA 0.990 57.393 56.400 0.005 0.000 0.859 185 E CB -0.043 29.653 29.700 -0.006 0.000 0.780 185 E HN 0.561 nan 8.360 nan 0.000 0.523 186 L N 0.043 121.269 121.223 0.005 0.000 2.298 186 L HA -0.011 4.344 4.340 0.024 0.000 0.209 186 L C 2.461 179.335 176.870 0.007 0.000 1.084 186 L CA 0.420 55.263 54.840 0.005 0.000 0.816 186 L CB -0.025 42.036 42.059 0.003 0.000 0.967 186 L HN 0.023 nan 8.230 nan 0.000 0.460 187 E N 0.711 120.917 120.200 0.009 0.000 2.204 187 E HA -0.199 4.165 4.350 0.024 0.000 0.194 187 E C 1.996 178.604 176.600 0.013 0.000 0.989 187 E CA 1.320 57.727 56.400 0.011 0.000 0.824 187 E CB 0.157 29.866 29.700 0.014 0.000 0.756 187 E HN 0.434 nan 8.360 nan 0.000 0.477 188 L N -0.429 120.803 121.223 0.015 0.000 2.592 188 L HA 0.203 4.558 4.340 0.024 0.000 0.227 188 L C 1.760 178.638 176.870 0.014 0.000 1.127 188 L CA 1.637 56.488 54.840 0.018 0.000 0.884 188 L CB -1.384 40.691 42.059 0.026 0.000 1.065 188 L HN 0.362 nan 8.230 nan 0.000 0.457 189 D N -1.940 118.467 120.400 0.010 0.000 2.197 189 D HA 0.285 4.939 4.640 0.024 0.000 0.212 189 D C 1.754 178.059 176.300 0.007 0.000 0.963 189 D CA 1.948 55.953 54.000 0.008 0.000 0.864 189 D CB -0.534 40.270 40.800 0.005 0.000 1.009 189 D HN 1.802 nan 8.370 nan 0.000 0.479 190 F N -0.164 119.790 119.950 0.007 0.000 3.343 190 F HA -0.193 4.348 4.527 0.024 0.000 0.271 190 F C 2.557 178.360 175.800 0.005 0.000 1.485 190 F CA 3.142 61.146 58.000 0.006 0.000 1.690 190 F CB -1.627 37.378 39.000 0.008 0.000 0.580 190 F HN 1.275 nan 8.300 nan 0.000 0.420 191 S N -3.299 112.405 115.700 0.006 0.000 1.895 191 S HA 0.246 4.731 4.470 0.024 0.000 0.245 191 S C 0.800 175.403 174.600 0.004 0.000 1.057 191 S CA 2.457 60.660 58.200 0.005 0.000 1.369 191 S CB -2.108 61.094 63.200 0.004 0.000 1.690 191 S HN 2.946 nan 8.310 nan 0.000 0.555 192 E N -1.743 118.460 120.200 0.004 0.000 2.101 192 E HA 0.422 4.786 4.350 0.024 0.000 0.121 192 E C -0.417 176.185 176.600 0.004 0.000 0.753 192 E CA 1.296 57.698 56.400 0.004 0.000 1.358 192 E CB -1.568 28.134 29.700 0.003 0.000 1.965 192 E HN 1.390 nan 8.360 nan 0.000 0.515 193 E N 0.676 120.879 120.200 0.004 0.000 1.852 193 E HA 0.487 4.851 4.350 0.024 0.000 0.276 193 E C 0.059 176.661 176.600 0.004 0.000 1.163 193 E CA 0.420 56.822 56.400 0.004 0.000 1.117 193 E CB -0.962 28.740 29.700 0.004 0.000 1.124 193 E HN 1.045 nan 8.360 nan 0.000 0.458 194 D N 0.908 121.311 120.400 0.004 0.000 2.477 194 D HA 0.447 5.101 4.640 0.024 0.000 0.239 194 D C 0.145 176.446 176.300 0.003 0.000 1.102 194 D CA -0.311 53.691 54.000 0.004 0.000 0.901 194 D CB 1.076 41.878 40.800 0.004 0.000 1.026 194 D HN 0.367 nan 8.370 nan 0.000 0.515 195 V N 1.081 120.997 119.914 0.003 0.000 2.847 195 V HA 0.561 4.695 4.120 0.024 0.000 0.364 195 V C 1.498 177.593 176.094 0.002 0.000 1.374 195 V CA 0.477 62.779 62.300 0.003 0.000 1.542 195 V CB -1.379 30.446 31.823 0.002 0.000 1.471 195 V HN 1.085 nan 8.190 nan 0.000 0.557 196 E N 0.274 120.476 120.200 0.003 0.000 3.439 196 E HA -0.382 3.982 4.350 0.024 0.000 0.385 196 E C 1.207 177.809 176.600 0.003 0.000 1.557 196 E CA 2.531 58.932 56.400 0.002 0.000 1.684 196 E CB -1.632 28.069 29.700 0.002 0.000 1.677 196 E HN 2.049 nan 8.360 nan 0.000 0.455 197 F N 0.281 120.232 119.950 0.002 0.000 2.600 197 F HA 0.339 4.881 4.527 0.024 0.000 0.183 197 F C 1.702 177.504 175.800 0.003 0.000 1.068 197 F CA 1.964 59.965 58.000 0.003 0.000 0.810 197 F CB -2.824 36.178 39.000 0.002 0.000 0.643 197 F HN 2.367 nan 8.300 nan 0.000 0.838 198 Q N 0.126 119.928 119.800 0.003 0.000 2.748 198 Q HA 0.197 4.551 4.340 0.024 0.000 0.385 198 Q C 1.421 177.424 176.000 0.005 0.000 1.156 198 Q CA 0.926 56.731 55.803 0.004 0.000 1.143 198 Q CB -0.273 28.468 28.738 0.004 0.000 1.138 198 Q HN 1.688 nan 8.270 nan 0.000 0.445 199 S N 1.553 117.257 115.700 0.006 0.000 2.404 199 S HA -0.052 4.432 4.470 0.024 0.000 0.223 199 S C 1.898 176.503 174.600 0.009 0.000 1.040 199 S CA 0.532 58.737 58.200 0.007 0.000 0.957 199 S CB 0.109 63.314 63.200 0.008 0.000 0.826 199 S HN 0.705 nan 8.310 nan 0.000 0.491 200 R N 1.742 122.247 120.500 0.009 0.000 2.075 200 R HA 0.007 4.361 4.340 0.024 0.000 0.232 200 R C 1.482 177.788 176.300 0.009 0.000 1.126 200 R CA 1.300 57.406 56.100 0.010 0.000 0.963 200 R CB -1.030 29.276 30.300 0.009 0.000 0.858 200 R HN 0.377 nan 8.270 nan 0.000 0.435 201 D N 0.343 120.747 120.400 0.007 0.000 2.091 201 D HA -0.139 4.516 4.640 0.024 0.000 0.199 201 D C 1.720 178.024 176.300 0.006 0.000 0.980 201 D CA 0.880 54.884 54.000 0.006 0.000 0.831 201 D CB -0.299 40.504 40.800 0.004 0.000 0.987 201 D HN 0.324 nan 8.370 nan 0.000 0.460 202 E N -0.048 120.155 120.200 0.006 0.000 2.160 202 E HA -0.176 4.188 4.350 0.024 0.000 0.195 202 E C 1.982 178.586 176.600 0.007 0.000 0.991 202 E CA 0.557 56.961 56.400 0.006 0.000 0.810 202 E CB -0.028 29.675 29.700 0.005 0.000 0.742 202 E HN 0.204 nan 8.360 nan 0.000 0.466 203 L N -0.142 121.086 121.223 0.009 0.000 2.168 203 L HA -0.036 4.319 4.340 0.024 0.000 0.203 203 L C 2.305 179.183 176.870 0.012 0.000 1.078 203 L CA 1.179 56.025 54.840 0.011 0.000 0.780 203 L CB -0.122 41.944 42.059 0.012 0.000 0.939 203 L HN 0.042 nan 8.230 nan 0.000 0.451 204 T N -0.007 114.555 114.554 0.013 0.000 2.737 204 T HA -0.261 4.104 4.350 0.024 0.000 0.269 204 T C 1.815 176.522 174.700 0.012 0.000 1.040 204 T CA 2.157 64.265 62.100 0.014 0.000 1.142 204 T CB -0.240 68.635 68.868 0.013 0.000 0.861 204 T HN 0.293 nan 8.240 nan 0.000 0.456 205 M N 0.537 120.143 119.600 0.010 0.000 2.156 205 M HA -0.058 4.437 4.480 0.024 0.000 0.264 205 M C 2.644 178.950 176.300 0.009 0.000 1.067 205 M CA 1.366 56.671 55.300 0.009 0.000 1.131 205 M CB -0.363 32.242 32.600 0.007 0.000 1.368 205 M HN 0.204 nan 8.290 nan 0.000 0.416 206 Q N 0.255 120.060 119.800 0.009 0.000 2.152 206 Q HA -0.189 4.166 4.340 0.024 0.000 0.206 206 Q C 1.973 177.979 176.000 0.011 0.000 0.985 206 Q CA 1.155 56.964 55.803 0.009 0.000 0.863 206 Q CB -0.096 28.647 28.738 0.008 0.000 0.904 206 Q HN 0.503 nan 8.270 nan 0.000 0.422 207 I N 0.445 121.022 120.570 0.012 0.000 2.353 207 I HA -0.183 4.001 4.170 0.024 0.000 0.248 207 I C 1.893 178.018 176.117 0.013 0.000 1.119 207 I CA 1.348 62.657 61.300 0.014 0.000 1.417 207 I CB -1.028 36.983 38.000 0.018 0.000 1.078 207 I HN 0.248 nan 8.210 nan 0.000 0.421 208 E N 0.598 120.806 120.200 0.013 0.000 2.106 208 E HA -0.138 4.226 4.350 0.024 0.000 0.192 208 E C 2.141 178.747 176.600 0.011 0.000 0.984 208 E CA 1.567 57.974 56.400 0.012 0.000 0.806 208 E CB -0.000 29.706 29.700 0.011 0.000 0.750 208 E HN 0.396 nan 8.360 nan 0.000 0.458 209 T N 1.278 115.838 114.554 0.010 0.000 2.652 209 T HA -0.162 4.202 4.350 0.024 0.000 0.267 209 T C 1.744 176.450 174.700 0.010 0.000 1.039 209 T CA 0.970 63.075 62.100 0.009 0.000 1.153 209 T CB -0.204 68.669 68.868 0.008 0.000 0.863 209 T HN 0.016 nan 8.240 nan 0.000 0.428 210 L N 0.495 121.725 121.223 0.011 0.000 2.353 210 L HA 0.056 4.410 4.340 0.024 0.000 0.220 210 L C 2.492 179.368 176.870 0.011 0.000 1.133 210 L CA 1.288 56.135 54.840 0.011 0.000 0.798 210 L CB -0.411 41.655 42.059 0.012 0.000 0.922 210 L HN 0.107 nan 8.230 nan 0.000 0.445 211 R N -0.951 119.555 120.500 0.010 0.000 2.080 211 R HA -0.073 4.281 4.340 0.024 0.000 0.222 211 R C 2.452 178.758 176.300 0.009 0.000 1.107 211 R CA 1.203 57.308 56.100 0.008 0.000 0.980 211 R CB -0.012 30.293 30.300 0.009 0.000 0.879 211 R HN 0.463 nan 8.270 nan 0.000 0.439 212 S N 0.181 115.887 115.700 0.011 0.000 2.489 212 S HA -0.017 4.468 4.470 0.024 0.000 0.228 212 S C 1.514 176.122 174.600 0.014 0.000 0.995 212 S CA 0.408 58.615 58.200 0.012 0.000 0.934 212 S CB 0.082 63.289 63.200 0.012 0.000 0.771 212 S HN 0.264 nan 8.310 nan 0.000 0.522 213 E N 1.248 121.456 120.200 0.013 0.000 2.031 213 E HA -0.060 4.304 4.350 0.024 0.000 0.193 213 E C 2.225 178.835 176.600 0.016 0.000 0.994 213 E CA 1.344 57.752 56.400 0.014 0.000 0.800 213 E CB -0.423 29.285 29.700 0.013 0.000 0.752 213 E HN 0.458 nan 8.360 nan 0.000 0.447 214 V N 2.323 122.245 119.914 0.013 0.000 2.379 214 V HA -0.190 3.945 4.120 0.024 0.000 0.245 214 V C 2.102 178.204 176.094 0.013 0.000 1.044 214 V CA 1.259 63.565 62.300 0.010 0.000 1.036 214 V CB -0.496 31.327 31.823 -0.000 0.000 0.664 214 V HN 0.246 nan 8.190 nan 0.000 0.453 215 N N 0.088 118.796 118.700 0.013 0.000 2.149 215 N HA -0.214 4.541 4.740 0.024 0.000 0.188 215 N C 2.065 177.599 175.510 0.040 0.000 1.019 215 N CA 1.457 54.520 53.050 0.022 0.000 0.857 215 N CB -0.203 38.294 38.487 0.018 0.000 0.997 215 N HN 0.416 nan 8.380 nan 0.000 0.426 216 R N 1.183 121.703 120.500 0.034 0.000 2.096 216 R HA -0.087 4.267 4.340 0.024 0.000 0.240 216 R C 2.306 178.638 176.300 0.053 0.000 1.139 216 R CA 1.100 57.222 56.100 0.037 0.000 0.952 216 R CB -0.281 30.035 30.300 0.026 0.000 0.854 216 R HN 0.170 nan 8.270 nan 0.000 0.436 217 L N 0.366 121.620 121.223 0.052 0.000 2.131 217 L HA -0.161 4.194 4.340 0.024 0.000 0.210 217 L C 2.298 179.237 176.870 0.115 0.000 1.092 217 L CA 1.011 55.892 54.840 0.069 0.000 0.759 217 L CB -0.212 41.878 42.059 0.051 0.000 0.903 217 L HN 0.280 nan 8.230 nan 0.000 0.435 218 I N -0.416 120.222 120.570 0.113 0.000 2.394 218 I HA -0.256 3.928 4.170 0.024 0.000 0.251 218 I C 1.780 178.056 176.117 0.265 0.000 1.136 218 I CA 0.990 62.407 61.300 0.195 0.000 1.425 218 I CB -0.334 37.726 38.000 0.101 0.000 1.079 218 I HN 0.226 nan 8.210 nan 0.000 0.425 219 D N 0.394 120.892 120.400 0.163 0.000 2.269 219 D HA -0.091 4.564 4.640 0.024 0.000 0.208 219 D C 2.340 178.715 176.300 0.125 0.000 0.963 219 D CA 0.854 54.934 54.000 0.133 0.000 0.864 219 D CB -0.070 40.778 40.800 0.081 0.000 0.936 219 D HN 0.171 nan 8.370 nan 0.000 0.505 220 S N -0.054 115.726 115.700 0.134 0.000 2.383 220 S HA -0.200 4.284 4.470 0.024 0.000 0.229 220 S C 1.806 176.491 174.600 0.141 0.000 1.030 220 S CA 0.562 58.837 58.200 0.125 0.000 1.002 220 S CB -0.449 62.818 63.200 0.112 0.000 0.829 220 S HN 0.419 nan 8.310 nan 0.000 0.467 221 Y N 2.585 122.906 120.300 0.035 0.000 2.165 221 Y HA -0.325 4.238 4.550 0.023 0.000 0.286 221 Y C 2.648 178.481 175.900 -0.111 0.000 1.155 221 Y CA 2.038 60.105 58.100 -0.055 0.000 1.164 221 Y CB -0.465 37.920 38.460 -0.126 0.000 0.978 221 Y HN 0.294 nan 8.280 nan 0.000 0.513 222 Q N -0.431 119.311 119.800 -0.097 0.000 2.142 222 Q HA -0.367 3.988 4.340 0.024 0.000 0.213 222 Q C 2.172 178.078 176.000 -0.157 0.000 1.004 222 Q CA 2.553 58.273 55.803 -0.138 0.000 0.883 222 Q CB -0.917 27.816 28.738 -0.009 0.000 0.939 222 Q HN 0.719 nan 8.270 nan 0.000 0.413 223 H N -1.500 117.472 119.070 -0.163 0.000 2.344 223 H HA 0.107 4.676 4.556 0.022 0.000 0.307 223 H C 1.893 177.109 175.328 -0.185 0.000 1.057 223 H CA 1.043 57.001 56.048 -0.149 0.000 1.373 223 H CB -0.246 29.464 29.762 -0.086 0.000 1.421 223 H HN 0.475 nan 8.280 nan 0.000 0.532 224 G N 1.194 109.866 108.800 -0.214 0.000 2.485 224 G HA2 -0.307 3.667 3.960 0.024 0.000 0.221 224 G HA3 -0.307 3.667 3.960 0.024 0.000 0.221 224 G C 1.922 176.624 174.900 -0.329 0.000 1.115 224 G CA 0.670 45.631 45.100 -0.233 0.000 0.751 224 G HN 0.377 nan 8.290 nan 0.000 0.567 225 R N 0.080 120.262 120.500 -0.531 0.000 2.081 225 R HA 0.028 4.383 4.340 0.024 0.000 0.235 225 R C 2.477 178.550 176.300 -0.378 0.000 1.131 225 R CA 1.176 56.945 56.100 -0.550 0.000 0.960 225 R CB -0.323 29.424 30.300 -0.922 0.000 0.856 225 R HN 0.427 nan 8.270 nan 0.000 0.436 226 I N 0.495 120.819 120.570 -0.411 0.000 2.286 226 I HA -0.237 3.947 4.170 0.024 0.000 0.248 226 I C 2.174 178.083 176.117 -0.346 0.000 1.115 226 I CA 0.845 61.925 61.300 -0.366 0.000 1.392 226 I CB -0.059 37.720 38.000 -0.368 0.000 1.065 226 I HN 0.043 nan 8.210 nan 0.000 0.418 227 V N -0.230 119.448 119.914 -0.394 0.000 2.427 227 V HA -0.267 3.867 4.120 0.024 0.000 0.248 227 V C 2.544 178.534 176.094 -0.173 0.000 1.051 227 V CA 2.169 64.301 62.300 -0.280 0.000 1.048 227 V CB -0.472 31.187 31.823 -0.273 0.000 0.666 227 V HN 0.474 nan 8.190 nan 0.000 0.456 228 S N 0.671 116.273 115.700 -0.163 0.000 2.345 228 S HA -0.151 4.333 4.470 0.024 0.000 0.219 228 S C 1.640 176.187 174.600 -0.089 0.000 1.031 228 S CA 1.563 59.707 58.200 -0.093 0.000 0.984 228 S CB -0.082 63.081 63.200 -0.062 0.000 0.874 228 S HN 0.864 nan 8.310 nan 0.000 0.451 229 E N -0.493 119.633 120.200 -0.124 0.000 2.714 229 E HA 0.463 4.827 4.350 0.024 0.000 0.219 229 E C 0.931 177.438 176.600 -0.156 0.000 0.979 229 E CA 0.028 56.361 56.400 -0.111 0.000 1.092 229 E CB 0.332 29.982 29.700 -0.083 0.000 1.049 229 E HN 0.530 nan 8.360 nan 0.000 0.487 230 G N 1.001 109.675 108.800 -0.209 0.000 2.553 230 G HA2 -0.275 3.700 3.960 0.024 0.000 0.242 230 G HA3 -0.275 3.700 3.960 0.024 0.000 0.242 230 G C -0.452 174.254 174.900 -0.323 0.000 1.277 230 G CA -0.209 44.718 45.100 -0.288 0.000 0.910 230 G HN 0.229 nan 8.290 nan 0.000 0.576 231 V N 1.373 121.034 119.914 -0.422 0.000 2.357 231 V HA 0.557 4.691 4.120 0.024 0.000 0.284 231 V C 0.802 176.769 176.094 -0.211 0.000 1.018 231 V CA 0.175 62.255 62.300 -0.367 0.000 0.841 231 V CB 1.242 32.720 31.823 -0.574 0.000 0.991 231 V HN 1.514 nan 8.190 nan 0.000 0.437 232 S N 3.262 118.878 115.700 -0.139 0.000 2.429 232 S HA 0.339 4.824 4.470 0.024 0.000 0.292 232 S C 0.262 174.838 174.600 -0.040 0.000 1.183 232 S CA -0.440 57.713 58.200 -0.078 0.000 1.088 232 S CB 0.179 63.336 63.200 -0.072 0.000 1.018 232 S HN 0.928 nan 8.310 nan 0.000 0.511 233 T N 0.165 114.721 114.554 0.003 0.000 2.807 233 T HA 0.614 4.978 4.350 0.024 0.000 0.279 233 T C -0.392 174.313 174.700 0.007 0.000 0.993 233 T CA -0.833 61.286 62.100 0.033 0.000 0.970 233 T CB 1.120 70.064 68.868 0.127 0.000 0.950 233 T HN 0.446 nan 8.240 nan 0.000 0.441 234 V N 4.653 124.553 119.914 -0.023 0.000 2.398 234 V HA 0.427 4.562 4.120 0.024 0.000 0.286 234 V C 0.159 176.220 176.094 -0.055 0.000 1.026 234 V CA -0.950 61.328 62.300 -0.036 0.000 0.868 234 V CB 1.244 33.037 31.823 -0.049 0.000 0.982 234 V HN 0.899 nan 8.190 nan 0.000 0.443 235 I N 4.752 125.291 120.570 -0.053 0.000 2.291 235 I HA 0.569 4.753 4.170 0.024 0.000 0.292 235 I C 0.576 176.626 176.117 -0.111 0.000 1.064 235 I CA 0.156 61.404 61.300 -0.086 0.000 1.269 235 I CB 0.962 38.920 38.000 -0.071 0.000 1.418 235 I HN 0.724 nan 8.210 nan 0.000 0.485 236 A N 4.762 127.487 122.820 -0.157 0.000 2.340 236 A HA 0.964 5.299 4.320 0.024 0.000 0.331 236 A C 0.170 177.474 177.584 -0.467 0.000 1.140 236 A CA -0.101 51.823 52.037 -0.188 0.000 0.801 236 A CB 1.514 20.486 19.000 -0.047 0.000 1.234 236 A HN 0.784 nan 8.150 nan 0.000 0.469 237 G N 0.726 109.270 108.800 -0.428 0.000 2.899 237 G HA2 0.536 4.510 3.960 0.024 0.000 0.137 237 G HA3 0.536 4.510 3.960 0.024 0.000 0.137 237 G C -1.201 173.548 174.900 -0.252 0.000 1.198 237 G CA -0.416 44.335 45.100 -0.582 0.000 1.126 237 G HN 0.629 nan 8.290 nan 0.000 0.589 238 K N 0.556 120.872 120.400 -0.140 0.000 2.466 238 K HA 0.486 4.821 4.320 0.024 0.000 0.260 238 K C -2.796 173.784 176.600 -0.033 0.000 1.011 238 K CA -1.721 54.545 56.287 -0.035 0.000 0.871 238 K CB 2.358 34.865 32.500 0.011 0.000 1.404 238 K HN 0.249 nan 8.250 nan 0.000 0.450 239 P HA -0.014 nan 4.420 nan 0.000 0.260 239 P C -0.620 176.672 177.300 -0.014 0.000 1.185 239 P CA 0.337 63.430 63.100 -0.011 0.000 0.763 239 P CB -0.030 31.670 31.700 -0.000 0.000 0.776 240 N N 1.550 120.237 118.700 -0.021 0.000 2.726 240 N HA -0.182 4.572 4.740 0.024 0.000 0.253 240 N C 0.588 176.082 175.510 -0.026 0.000 1.059 240 N CA 1.104 54.141 53.050 -0.021 0.000 0.701 240 N CB -1.335 37.145 38.487 -0.012 0.000 0.899 240 N HN 0.610 nan 8.380 nan 0.000 0.548 241 A N -0.504 122.290 122.820 -0.043 0.000 2.343 241 A HA 0.568 4.903 4.320 0.024 0.000 0.223 241 A C 1.530 179.081 177.584 -0.056 0.000 1.214 241 A CA 1.137 53.142 52.037 -0.053 0.000 0.900 241 A CB 0.276 19.221 19.000 -0.093 0.000 0.942 241 A HN 1.370 nan 8.150 nan 0.000 0.507 242 G N 0.058 108.827 108.800 -0.052 0.000 2.164 242 G HA2 -0.208 3.767 3.960 0.024 0.000 0.212 242 G HA3 -0.208 3.767 3.960 0.024 0.000 0.212 242 G C 0.646 175.511 174.900 -0.060 0.000 1.031 242 G CA 0.516 45.586 45.100 -0.050 0.000 0.730 242 G HN 0.431 nan 8.290 nan 0.000 0.501 243 K N 0.158 120.518 120.400 -0.066 0.000 2.025 243 K HA 0.006 4.341 4.320 0.024 0.000 0.207 243 K C 2.686 179.255 176.600 -0.052 0.000 1.049 243 K CA 1.598 57.843 56.287 -0.070 0.000 0.933 243 K CB -0.194 32.260 32.500 -0.078 0.000 0.714 243 K HN 0.325 nan 8.250 nan 0.000 0.438 244 S N 0.576 116.251 115.700 -0.041 0.000 2.368 244 S HA -0.138 4.347 4.470 0.024 0.000 0.225 244 S C 2.112 176.692 174.600 -0.034 0.000 1.030 244 S CA 1.969 60.150 58.200 -0.032 0.000 0.999 244 S CB -0.530 62.655 63.200 -0.025 0.000 0.844 244 S HN 0.515 nan 8.310 nan 0.000 0.459 245 T N 1.338 115.869 114.554 -0.038 0.000 2.867 245 T HA -0.007 4.358 4.350 0.024 0.000 0.268 245 T C 1.739 176.408 174.700 -0.052 0.000 1.057 245 T CA 0.976 63.052 62.100 -0.040 0.000 1.136 245 T CB -0.468 68.377 68.868 -0.038 0.000 0.874 245 T HN 0.228 nan 8.240 nan 0.000 0.466 246 L N 0.667 121.855 121.223 -0.059 0.000 2.044 246 L HA 0.278 4.632 4.340 0.024 0.000 0.205 246 L C 2.353 179.178 176.870 -0.075 0.000 1.075 246 L CA 1.300 56.096 54.840 -0.074 0.000 0.747 246 L CB -0.895 41.117 42.059 -0.078 0.000 0.903 246 L HN 0.256 nan 8.230 nan 0.000 0.435 247 L N -0.235 120.957 121.223 -0.051 0.000 2.012 247 L HA -0.273 4.081 4.340 0.024 0.000 0.210 247 L C 2.396 179.246 176.870 -0.032 0.000 1.073 247 L CA 1.741 56.564 54.840 -0.029 0.000 0.748 247 L CB -0.489 41.563 42.059 -0.012 0.000 0.891 247 L HN 0.469 nan 8.230 nan 0.000 0.431 248 N N -0.939 117.739 118.700 -0.036 0.000 2.142 248 N HA -0.165 4.589 4.740 0.024 0.000 0.186 248 N C 1.707 177.186 175.510 -0.052 0.000 1.023 248 N CA 2.082 55.113 53.050 -0.032 0.000 0.852 248 N CB -0.166 38.305 38.487 -0.027 0.000 0.998 248 N HN 0.526 nan 8.380 nan 0.000 0.424 249 T N -0.752 113.758 114.554 -0.073 0.000 3.023 249 T HA 0.069 4.434 4.350 0.024 0.000 0.266 249 T C 2.110 176.718 174.700 -0.153 0.000 1.093 249 T CA 0.332 62.375 62.100 -0.095 0.000 1.129 249 T CB -0.320 68.492 68.868 -0.093 0.000 0.899 249 T HN 0.074 nan 8.240 nan 0.000 0.491 250 L N -0.042 121.065 121.223 -0.193 0.000 2.275 250 L HA 0.241 4.596 4.340 0.024 0.000 0.215 250 L C 1.117 177.798 176.870 -0.315 0.000 1.119 250 L CA 0.626 55.244 54.840 -0.369 0.000 0.790 250 L CB -0.289 41.543 42.059 -0.379 0.000 0.919 250 L HN 0.296 nan 8.230 nan 0.000 0.443 271 E N -0.123 120.095 120.200 0.030 0.000 2.458 271 E HA 0.204 4.568 4.350 0.024 0.000 0.264 271 E C -0.146 176.493 176.600 0.064 0.000 1.097 271 E CA 0.983 57.409 56.400 0.044 0.000 0.973 271 E CB 0.408 30.137 29.700 0.048 0.000 0.963 271 E HN 0.624 nan 8.360 nan 0.000 0.451 272 C N 0.554 119.901 119.300 0.079 0.000 3.311 272 C HA 0.760 5.234 4.460 0.024 0.000 0.325 272 C C -0.931 174.152 174.990 0.154 0.000 1.352 272 C CA -1.249 57.826 59.018 0.095 0.000 1.308 272 C CB 0.063 27.807 27.740 0.006 0.000 1.619 272 C HN 0.757 nan 8.230 nan 0.000 0.469 273 F N 0.259 120.262 119.950 0.088 0.000 2.613 273 F HA 0.968 5.509 4.527 0.024 0.000 0.342 273 F C -0.955 174.940 175.800 0.158 0.000 1.066 273 F CA -1.548 56.507 58.000 0.091 0.000 1.002 273 F CB 0.653 39.685 39.000 0.053 0.000 1.319 273 F HN 0.515 nan 8.300 nan 0.000 0.495 274 I N 1.013 121.779 120.570 0.326 0.000 2.530 274 I HA 0.467 4.652 4.170 0.024 0.000 0.297 274 I C -1.133 175.271 176.117 0.479 0.000 1.011 274 I CA -0.387 61.064 61.300 0.250 0.000 1.107 274 I CB 1.865 39.955 38.000 0.150 0.000 1.285 274 I HN 0.834 nan 8.210 nan 0.000 0.436 275 H N 3.829 123.094 119.070 0.325 0.000 3.026 275 H HA 0.307 4.878 4.556 0.024 0.000 0.352 275 H C -0.792 174.672 175.328 0.227 0.000 1.090 275 H CA -0.580 55.645 56.048 0.295 0.000 1.268 275 H CB 1.134 31.112 29.762 0.359 0.000 1.816 275 H HN 0.603 nan 8.280 nan 0.000 0.518 276 D N 4.784 124.964 120.400 -0.367 0.000 2.735 276 D HA -0.242 4.412 4.640 0.024 0.000 0.235 276 D C -0.231 176.071 176.300 0.003 0.000 1.175 276 D CA 1.638 55.519 54.000 -0.198 0.000 0.683 276 D CB -0.740 39.972 40.800 -0.146 0.000 1.008 276 D HN 0.931 nan 8.370 nan 0.000 0.416 277 K N -1.777 118.629 120.400 0.010 0.000 3.003 277 K HA -0.262 4.073 4.320 0.024 0.000 0.257 277 K C -0.877 175.747 176.600 0.040 0.000 0.958 277 K CA 1.595 57.901 56.287 0.031 0.000 0.707 277 K CB -2.699 29.814 32.500 0.021 0.000 1.279 277 K HN 0.378 nan 8.250 nan 0.000 0.479 278 T N 0.716 115.319 114.554 0.081 0.000 2.928 278 T HA 0.420 4.785 4.350 0.024 0.000 0.296 278 T C -0.443 174.248 174.700 -0.016 0.000 1.000 278 T CA -0.858 61.242 62.100 0.000 0.000 0.989 278 T CB 1.689 70.555 68.868 -0.002 0.000 1.005 278 T HN 0.312 nan 8.240 nan 0.000 0.442 279 M N 3.302 122.796 119.600 -0.178 0.000 2.249 279 M HA 0.548 5.042 4.480 0.024 0.000 0.351 279 M C -1.581 174.461 176.300 -0.430 0.000 1.180 279 M CA -0.349 54.841 55.300 -0.183 0.000 1.127 279 M CB 0.384 32.895 32.600 -0.149 0.000 1.546 279 M HN 0.560 nan 8.290 nan 0.000 0.461 280 F N 3.286 122.943 119.950 -0.489 0.000 2.477 280 F HA 0.429 4.969 4.527 0.022 0.000 0.335 280 F C 0.093 175.657 175.800 -0.393 0.000 1.130 280 F CA -0.679 56.997 58.000 -0.539 0.000 0.948 280 F CB 1.241 39.656 39.000 -0.976 0.000 1.154 280 F HN 0.465 nan 8.300 nan 0.000 0.439 281 R N 4.473 124.910 120.500 -0.106 0.000 2.205 281 R HA 0.511 4.865 4.340 0.024 0.000 0.342 281 R C -1.219 175.082 176.300 0.001 0.000 1.058 281 R CA -0.582 55.486 56.100 -0.053 0.000 0.904 281 R CB 0.283 30.541 30.300 -0.070 0.000 1.089 281 R HN 0.602 nan 8.270 nan 0.000 0.471 282 L N 2.677 123.925 121.223 0.041 0.000 2.421 282 L HA 0.486 4.841 4.340 0.024 0.000 0.263 282 L C 0.515 177.404 176.870 0.031 0.000 1.122 282 L CA 0.461 55.339 54.840 0.063 0.000 0.804 282 L CB 1.800 43.929 42.059 0.117 0.000 1.150 282 L HN 0.745 nan 8.230 nan 0.000 0.457 283 T N 0.379 114.945 114.554 0.019 0.000 2.775 283 T HA 0.446 4.810 4.350 0.024 0.000 0.320 283 T C -1.900 172.797 174.700 -0.005 0.000 1.597 283 T CA -0.610 61.492 62.100 0.004 0.000 1.022 283 T CB 1.081 69.947 68.868 -0.004 0.000 1.485 283 T HN 0.602 nan 8.240 nan 0.000 0.494 306 K N 2.142 122.537 120.400 -0.009 0.000 3.084 306 K HA 0.329 4.663 4.320 0.024 0.000 0.210 306 K C 0.255 176.822 176.600 -0.054 0.000 1.137 306 K CA -0.315 55.959 56.287 -0.021 0.000 1.010 306 K CB 0.579 33.068 32.500 -0.019 0.000 0.806 306 K HN 0.795 nan 8.250 nan 0.000 0.460 307 M N 2.019 121.578 119.600 -0.068 0.000 2.059 307 M HA 0.017 4.511 4.480 0.024 0.000 0.259 307 M C 0.744 176.841 176.300 -0.338 0.000 1.072 307 M CA 1.432 56.627 55.300 -0.175 0.000 1.117 307 M CB -0.378 32.154 32.600 -0.113 0.000 1.320 307 M HN 0.365 nan 8.290 nan 0.000 0.408 308 A N 0.936 123.631 122.820 -0.208 0.000 2.498 308 A HA 0.150 4.485 4.320 0.024 0.000 0.239 308 A C 0.420 177.976 177.584 -0.047 0.000 1.068 308 A CA 0.218 52.209 52.037 -0.077 0.000 0.766 308 A CB -0.458 18.618 19.000 0.127 0.000 1.003 308 A HN 0.609 nan 8.150 nan 0.000 0.497 309 E N -1.085 119.105 120.200 -0.018 0.000 2.257 309 E HA -0.117 4.248 4.350 0.024 0.000 0.217 309 E C -0.330 176.241 176.600 -0.048 0.000 1.248 309 E CA 0.504 56.893 56.400 -0.018 0.000 0.691 309 E CB -1.384 28.315 29.700 -0.002 0.000 1.185 309 E HN 1.568 nan 8.360 nan 0.000 0.377 310 A N 1.619 124.400 122.820 -0.064 0.000 2.427 310 A HA 0.428 4.762 4.320 0.024 0.000 0.298 310 A C 0.447 178.006 177.584 -0.043 0.000 1.036 310 A CA -0.449 51.549 52.037 -0.065 0.000 0.701 310 A CB 1.266 20.214 19.000 -0.086 0.000 1.250 310 A HN 0.215 nan 8.150 nan 0.000 0.412 311 D N 0.738 121.111 120.400 -0.044 0.000 2.117 311 D HA -0.029 4.625 4.640 0.024 0.000 0.198 311 D C 0.296 176.599 176.300 0.005 0.000 0.982 311 D CA 1.518 55.500 54.000 -0.030 0.000 0.828 311 D CB 0.167 40.925 40.800 -0.070 0.000 0.967 311 D HN 0.372 nan 8.370 nan 0.000 0.464 312 L N 0.604 121.830 121.223 0.005 0.000 2.409 312 L HA 0.409 4.763 4.340 0.024 0.000 0.272 312 L C -1.378 175.480 176.870 -0.020 0.000 0.980 312 L CA -0.506 54.350 54.840 0.027 0.000 0.826 312 L CB 1.956 44.065 42.059 0.085 0.000 1.268 312 L HN -0.208 nan 8.230 nan 0.000 0.407 313 I N 6.161 126.686 120.570 -0.076 0.000 2.362 313 I HA 0.364 4.549 4.170 0.024 0.000 0.289 313 I C -0.826 175.050 176.117 -0.401 0.000 0.994 313 I CA -0.491 60.691 61.300 -0.197 0.000 1.158 313 I CB 1.473 39.386 38.000 -0.145 0.000 1.315 313 I HN 0.472 nan 8.210 nan 0.000 0.451 314 L N 7.070 128.128 121.223 -0.275 0.000 2.265 314 L HA 0.364 4.719 4.340 0.024 0.000 0.289 314 L C -0.821 175.904 176.870 -0.240 0.000 1.033 314 L CA -0.613 54.068 54.840 -0.265 0.000 0.814 314 L CB 0.802 42.778 42.059 -0.138 0.000 1.203 314 L HN 0.488 nan 8.230 nan 0.000 0.423 315 Y N 4.406 124.480 120.300 -0.378 0.000 2.367 315 Y HA 0.474 5.038 4.550 0.024 0.000 0.342 315 Y C -0.696 175.167 175.900 -0.062 0.000 0.979 315 Y CA -0.581 57.425 58.100 -0.157 0.000 1.161 315 Y CB 1.239 39.701 38.460 0.004 0.000 1.155 315 Y HN 0.448 nan 8.280 nan 0.000 0.503 316 L N 8.158 129.156 121.223 -0.376 0.000 2.282 316 L HA 0.591 4.945 4.340 0.024 0.000 0.288 316 L C -1.398 175.349 176.870 -0.205 0.000 1.033 316 L CA -0.677 54.042 54.840 -0.201 0.000 0.807 316 L CB 1.200 43.143 42.059 -0.194 0.000 1.209 316 L HN 0.688 nan 8.230 nan 0.000 0.423 317 L N 1.406 122.634 121.223 0.008 0.000 2.388 317 L HA 0.669 5.023 4.340 0.024 0.000 0.264 317 L C -0.719 176.170 176.870 0.032 0.000 0.998 317 L CA -0.674 54.209 54.840 0.071 0.000 0.817 317 L CB 1.724 43.916 42.059 0.220 0.000 1.338 317 L HN 0.441 nan 8.230 nan 0.000 0.414 318 D N 2.887 123.302 120.400 0.025 0.000 2.383 318 D HA 0.130 4.784 4.640 0.024 0.000 0.245 318 D C -0.275 176.038 176.300 0.021 0.000 1.263 318 D CA -0.130 53.877 54.000 0.012 0.000 0.936 318 D CB 0.622 41.425 40.800 0.005 0.000 1.053 318 D HN 0.670 nan 8.370 nan 0.000 0.507 319 L N 4.635 125.868 121.223 0.016 0.000 2.660 319 L HA 0.200 4.554 4.340 0.024 0.000 0.272 319 L C 1.630 178.508 176.870 0.014 0.000 1.194 319 L CA 1.578 56.428 54.840 0.018 0.000 0.945 319 L CB -0.130 41.935 42.059 0.010 0.000 1.212 319 L HN 0.698 nan 8.230 nan 0.000 0.490 320 G N 2.390 111.200 108.800 0.017 0.000 3.639 320 G HA2 -0.503 3.472 3.960 0.024 0.000 0.224 320 G HA3 -0.503 3.472 3.960 0.024 0.000 0.224 320 G C 1.059 175.967 174.900 0.013 0.000 1.339 320 G CA 0.853 45.961 45.100 0.013 0.000 0.933 320 G HN 1.208 nan 8.290 nan 0.000 0.568 321 T N 0.644 115.204 114.554 0.011 0.000 2.996 321 T HA 0.297 4.662 4.350 0.024 0.000 0.271 321 T C 1.029 175.736 174.700 0.012 0.000 1.126 321 T CA 2.216 64.322 62.100 0.009 0.000 1.103 321 T CB -0.204 68.666 68.868 0.004 0.000 0.870 321 T HN 0.808 nan 8.240 nan 0.000 0.528 322 E N 1.232 121.444 120.200 0.019 0.000 2.406 322 E HA 0.176 4.540 4.350 0.024 0.000 0.258 322 E C 1.526 178.139 176.600 0.021 0.000 1.043 322 E CA -0.217 56.198 56.400 0.025 0.000 0.929 322 E CB 0.603 30.327 29.700 0.039 0.000 0.969 322 E HN 0.619 nan 8.360 nan 0.000 0.462 323 R N 3.380 123.891 120.500 0.018 0.000 2.091 323 R HA -0.112 4.243 4.340 0.024 0.000 0.238 323 R C 0.248 176.558 176.300 0.016 0.000 1.136 323 R CA 0.892 57.001 56.100 0.015 0.000 0.959 323 R CB -0.243 30.064 30.300 0.013 0.000 0.856 323 R HN 0.329 nan 8.270 nan 0.000 0.437 324 L N 1.685 122.920 121.223 0.020 0.000 2.318 324 L HA 0.230 4.584 4.340 0.024 0.000 0.277 324 L C -0.475 176.409 176.870 0.024 0.000 1.008 324 L CA -0.290 54.561 54.840 0.019 0.000 0.846 324 L CB 1.680 43.750 42.059 0.019 0.000 1.220 324 L HN 0.053 nan 8.230 nan 0.000 0.423 325 D N 0.680 121.093 120.400 0.020 0.000 2.240 325 D HA -0.106 4.548 4.640 0.024 0.000 0.206 325 D C 1.113 177.424 176.300 0.019 0.000 0.963 325 D CA 0.878 54.892 54.000 0.023 0.000 0.863 325 D CB 0.395 41.207 40.800 0.019 0.000 0.973 325 D HN 0.663 nan 8.370 nan 0.000 0.501 326 D N 0.492 120.899 120.400 0.011 0.000 2.370 326 D HA -0.126 4.528 4.640 0.024 0.000 0.256 326 D C -0.262 176.038 176.300 -0.001 0.000 1.197 326 D CA 0.287 54.288 54.000 0.002 0.000 0.922 326 D CB -0.349 40.450 40.800 -0.002 0.000 0.911 326 D HN 0.145 nan 8.370 nan 0.000 0.517 327 E N 0.729 120.935 120.200 0.010 0.000 2.452 327 E HA 0.121 4.485 4.350 0.024 0.000 0.293 327 E C 1.083 177.675 176.600 -0.013 0.000 1.535 327 E CA -0.139 56.267 56.400 0.009 0.000 1.816 327 E CB -0.195 29.529 29.700 0.041 0.000 1.494 327 E HN 0.579 nan 8.360 nan 0.000 0.464 328 L N -2.636 118.565 121.223 -0.037 0.000 2.640 328 L HA 0.207 4.562 4.340 0.024 0.000 0.230 328 L C 1.676 178.485 176.870 -0.102 0.000 1.123 328 L CA 0.034 54.827 54.840 -0.078 0.000 0.900 328 L CB -0.344 41.686 42.059 -0.048 0.000 1.146 328 L HN -0.086 nan 8.230 nan 0.000 0.484 329 T N -2.681 111.828 114.554 -0.075 0.000 2.812 329 T HA -0.148 4.217 4.350 0.024 0.000 0.264 329 T C 1.680 176.322 174.700 -0.096 0.000 1.042 329 T CA 1.327 63.382 62.100 -0.076 0.000 1.140 329 T CB -0.230 68.609 68.868 -0.047 0.000 0.870 329 T HN 0.320 nan 8.240 nan 0.000 0.445 330 E N 1.956 122.106 120.200 -0.084 0.000 2.118 330 E HA -0.136 4.228 4.350 0.024 0.000 0.195 330 E C 1.941 178.426 176.600 -0.191 0.000 0.992 330 E CA 1.359 57.712 56.400 -0.078 0.000 0.804 330 E CB -0.639 29.058 29.700 -0.006 0.000 0.741 330 E HN 0.799 nan 8.360 nan 0.000 0.458 331 I N -1.557 118.805 120.570 -0.346 0.000 2.876 331 I HA 0.074 4.259 4.170 0.024 0.000 0.264 331 I C 2.263 178.160 176.117 -0.365 0.000 1.204 331 I CA 0.900 61.889 61.300 -0.519 0.000 1.485 331 I CB -0.076 37.498 38.000 -0.710 0.000 1.103 331 I HN -0.056 nan 8.210 nan 0.000 0.446 332 R N 0.851 121.190 120.500 -0.268 0.000 2.093 332 R HA -0.048 4.306 4.340 0.024 0.000 0.224 332 R C 2.078 178.239 176.300 -0.231 0.000 1.101 332 R CA 1.333 57.280 56.100 -0.256 0.000 0.979 332 R CB -0.083 30.116 30.300 -0.168 0.000 0.877 332 R HN 0.505 nan 8.270 nan 0.000 0.441 333 E N 0.194 120.294 120.200 -0.167 0.000 2.072 333 E HA -0.186 4.178 4.350 0.024 0.000 0.191 333 E C 1.906 178.434 176.600 -0.120 0.000 0.985 333 E CA 0.979 57.306 56.400 -0.121 0.000 0.801 333 E CB 0.035 29.690 29.700 -0.075 0.000 0.750 333 E HN 0.160 nan 8.360 nan 0.000 0.452 334 L N 1.355 122.527 121.223 -0.084 0.000 2.046 334 L HA -0.182 4.172 4.340 0.024 0.000 0.208 334 L C 2.357 179.216 176.870 -0.019 0.000 1.077 334 L CA 1.476 56.348 54.840 0.054 0.000 0.747 334 L CB -0.306 41.930 42.059 0.295 0.000 0.896 334 L HN -0.020 nan 8.230 nan 0.000 0.432 335 K N -0.193 119.972 120.400 -0.392 0.000 2.097 335 K HA -0.149 4.185 4.320 0.024 0.000 0.206 335 K C 1.873 178.342 176.600 -0.219 0.000 1.049 335 K CA 1.436 57.405 56.287 -0.530 0.000 0.933 335 K CB -0.029 31.926 32.500 -0.908 0.000 0.717 335 K HN 0.323 nan 8.250 nan 0.000 0.442 336 A N 0.325 123.024 122.820 -0.201 0.000 2.119 336 A HA 0.103 4.437 4.320 0.024 0.000 0.216 336 A C 1.997 179.493 177.584 -0.147 0.000 1.152 336 A CA 1.218 53.170 52.037 -0.142 0.000 0.708 336 A CB -0.194 18.729 19.000 -0.128 0.000 0.805 336 A HN 0.403 nan 8.150 nan 0.000 0.460 337 A N -1.391 121.299 122.820 -0.217 0.000 2.132 337 A HA 0.151 4.486 4.320 0.024 0.000 0.213 337 A C 0.713 177.918 177.584 -0.632 0.000 1.154 337 A CA 0.344 52.135 52.037 -0.410 0.000 0.753 337 A CB -0.095 18.607 19.000 -0.496 0.000 0.826 337 A HN 0.514 nan 8.150 nan 0.000 0.469 338 H N -1.069 118.024 119.070 0.038 0.000 2.488 338 H HA 0.225 4.788 4.556 0.011 0.000 0.237 338 H C -2.399 172.963 175.328 0.057 0.000 1.395 338 H CA -1.425 54.660 56.048 0.061 0.000 1.491 338 H CB 0.526 30.351 29.762 0.104 0.000 1.567 338 H HN 0.224 nan 8.280 nan 0.000 0.508 339 P HA -0.016 nan 4.420 nan 0.000 0.223 339 P C 1.577 178.926 177.300 0.082 0.000 1.151 339 P CA 0.756 63.894 63.100 0.064 0.000 0.787 339 P CB 0.379 32.094 31.700 0.025 0.000 0.788 340 A N -0.533 122.345 122.820 0.097 0.000 2.121 340 A HA 0.235 4.570 4.320 0.024 0.000 0.218 340 A C 1.362 178.995 177.584 0.082 0.000 1.154 340 A CA 0.915 52.999 52.037 0.078 0.000 0.679 340 A CB -0.997 18.047 19.000 0.073 0.000 0.795 340 A HN 0.276 nan 8.150 nan 0.000 0.458 341 A N -0.396 122.497 122.820 0.120 0.000 2.269 341 A HA 0.552 4.886 4.320 0.024 0.000 0.319 341 A C 0.279 177.947 177.584 0.141 0.000 1.110 341 A CA -0.592 51.517 52.037 0.119 0.000 0.847 341 A CB 0.416 19.504 19.000 0.146 0.000 1.161 341 A HN 0.295 nan 8.150 nan 0.000 0.497 342 K N 0.383 120.857 120.400 0.122 0.000 2.174 342 K HA 0.462 4.797 4.320 0.024 0.000 0.275 342 K C -1.833 174.886 176.600 0.199 0.000 1.015 342 K CA -0.091 56.285 56.287 0.148 0.000 0.933 342 K CB 0.541 33.107 32.500 0.110 0.000 1.025 342 K HN 0.533 nan 8.250 nan 0.000 0.463 343 F N 4.400 124.390 119.950 0.066 0.000 2.540 343 F HA 0.470 5.010 4.527 0.021 0.000 0.317 343 F C -1.299 174.539 175.800 0.063 0.000 1.104 343 F CA -0.761 57.281 58.000 0.069 0.000 0.913 343 F CB 1.189 40.226 39.000 0.062 0.000 1.170 343 F HN 0.313 nan 8.300 nan 0.000 0.450 344 L N 4.471 125.627 121.223 -0.110 0.000 2.438 344 L HA 0.442 4.797 4.340 0.024 0.000 0.270 344 L C -0.824 176.022 176.870 -0.040 0.000 0.972 344 L CA -0.626 54.220 54.840 0.009 0.000 0.831 344 L CB 2.605 44.650 42.059 -0.024 0.000 1.273 344 L HN 0.562 nan 8.230 nan 0.000 0.405 345 T N 2.305 116.936 114.554 0.127 0.000 2.806 345 T HA 0.418 4.783 4.350 0.024 0.000 0.290 345 T C -0.149 174.589 174.700 0.062 0.000 0.966 345 T CA -0.423 61.772 62.100 0.159 0.000 1.060 345 T CB 1.581 70.574 68.868 0.209 0.000 0.927 345 T HN 0.181 nan 8.240 nan 0.000 0.485 346 V N 2.803 122.750 119.914 0.055 0.000 2.326 346 V HA 0.559 4.694 4.120 0.024 0.000 0.281 346 V C 0.405 176.511 176.094 0.019 0.000 1.015 346 V CA -1.174 61.126 62.300 -0.000 0.000 0.823 346 V CB 0.955 32.752 31.823 -0.044 0.000 1.009 346 V HN 1.093 nan 8.190 nan 0.000 0.436 347 A N 4.246 127.074 122.820 0.013 0.000 2.437 347 A HA 0.459 4.793 4.320 0.024 0.000 0.303 347 A C 0.243 177.823 177.584 -0.006 0.000 1.324 347 A CA -0.037 52.010 52.037 0.016 0.000 0.983 347 A CB -0.327 18.682 19.000 0.015 0.000 1.142 347 A HN 0.763 nan 8.150 nan 0.000 0.541 348 N N 1.478 120.172 118.700 -0.009 0.000 2.434 348 N HA 0.265 5.019 4.740 0.024 0.000 0.266 348 N C -0.341 175.159 175.510 -0.017 0.000 1.223 348 N CA -0.157 52.880 53.050 -0.023 0.000 0.972 348 N CB 0.272 38.738 38.487 -0.034 0.000 1.207 348 N HN 0.537 nan 8.380 nan 0.000 0.525 349 K N 0.488 120.875 120.400 -0.021 0.000 3.372 349 K HA -0.186 4.148 4.320 0.024 0.000 0.272 349 K C 0.186 176.778 176.600 -0.013 0.000 1.037 349 K CA 0.101 56.378 56.287 -0.017 0.000 0.777 349 K CB -1.584 30.907 32.500 -0.014 0.000 1.347 349 K HN 0.404 nan 8.250 nan 0.000 0.460 350 L N 1.310 122.523 121.223 -0.015 0.000 2.395 350 L HA -0.090 4.265 4.340 0.024 0.000 0.218 350 L C 2.089 178.953 176.870 -0.011 0.000 1.130 350 L CA 1.969 56.802 54.840 -0.012 0.000 0.826 350 L CB 0.003 42.053 42.059 -0.015 0.000 0.941 350 L HN 0.448 nan 8.230 nan 0.000 0.451 351 D N -0.559 119.833 120.400 -0.012 0.000 2.249 351 D HA -0.208 4.447 4.640 0.024 0.000 0.205 351 D C 1.983 178.278 176.300 -0.009 0.000 0.962 351 D CA 1.049 55.042 54.000 -0.011 0.000 0.860 351 D CB -0.238 40.554 40.800 -0.013 0.000 0.955 351 D HN 0.411 nan 8.370 nan 0.000 0.505 352 R N 1.503 121.998 120.500 -0.008 0.000 2.153 352 R HA 0.244 4.598 4.340 0.024 0.000 0.218 352 R C 0.954 177.251 176.300 -0.004 0.000 1.072 352 R CA 0.784 56.880 56.100 -0.006 0.000 0.990 352 R CB -0.688 29.608 30.300 -0.006 0.000 0.889 352 R HN 0.126 nan 8.270 nan 0.000 0.452 353 A N 0.562 123.380 122.820 -0.004 0.000 2.309 353 A HA 0.747 5.082 4.320 0.024 0.000 0.298 353 A C 0.790 178.373 177.584 -0.002 0.000 1.165 353 A CA -0.160 51.876 52.037 -0.002 0.000 0.821 353 A CB 0.864 19.863 19.000 -0.001 0.000 1.102 353 A HN 0.415 nan 8.150 nan 0.000 0.500 354 A N 2.804 125.624 122.820 -0.001 0.000 2.099 354 A HA 0.119 4.454 4.320 0.024 0.000 0.206 354 A C 0.819 178.403 177.584 -0.001 0.000 1.464 354 A CA 0.874 52.910 52.037 -0.001 0.000 0.603 354 A CB -0.839 18.161 19.000 -0.000 0.000 1.056 354 A HN 1.017 nan 8.150 nan 0.000 0.492 355 N N 0.523 119.223 118.700 0.000 0.000 2.421 355 N HA 0.420 5.174 4.740 0.024 0.000 0.260 355 N C -0.039 175.471 175.510 0.001 0.000 1.173 355 N CA 0.549 53.599 53.050 0.001 0.000 0.960 355 N CB 0.930 39.417 38.487 0.001 0.000 1.273 355 N HN 0.446 nan 8.380 nan 0.000 0.497 356 A N 1.788 124.609 122.820 0.000 0.000 2.085 356 A HA 0.022 4.356 4.320 0.024 0.000 0.208 356 A C 1.487 179.071 177.584 0.001 0.000 1.191 356 A CA 0.088 52.126 52.037 0.000 0.000 0.799 356 A CB 0.091 19.090 19.000 -0.001 0.000 0.877 356 A HN 0.507 nan 8.150 nan 0.000 0.473 357 D N 0.839 121.240 120.400 0.001 0.000 2.149 357 D HA -0.109 4.546 4.640 0.024 0.000 0.198 357 D C 2.072 178.373 176.300 0.002 0.000 0.990 357 D CA 1.512 55.513 54.000 0.001 0.000 0.839 357 D CB -0.126 40.675 40.800 0.002 0.000 0.948 357 D HN 0.445 nan 8.370 nan 0.000 0.460 358 A N 0.288 123.109 122.820 0.002 0.000 1.970 358 A HA -0.061 4.274 4.320 0.024 0.000 0.216 358 A C 2.130 179.716 177.584 0.003 0.000 1.170 358 A CA 0.576 52.614 52.037 0.002 0.000 0.645 358 A CB -0.301 18.701 19.000 0.002 0.000 0.816 358 A HN 0.094 nan 8.150 nan 0.000 0.447 359 L N -0.770 120.456 121.223 0.004 0.000 2.072 359 L HA -0.009 4.345 4.340 0.024 0.000 0.205 359 L C 2.217 179.091 176.870 0.007 0.000 1.079 359 L CA 1.191 56.034 54.840 0.006 0.000 0.752 359 L CB -0.611 41.452 42.059 0.007 0.000 0.906 359 L HN 0.305 nan 8.230 nan 0.000 0.436 360 I N -0.794 119.779 120.570 0.005 0.000 2.142 360 I HA -0.282 3.902 4.170 0.024 0.000 0.240 360 I C 2.760 178.880 176.117 0.004 0.000 1.078 360 I CA 1.313 62.615 61.300 0.004 0.000 1.343 360 I CB -0.400 37.599 38.000 -0.002 0.000 1.046 360 I HN 0.196 nan 8.210 nan 0.000 0.405 361 R N 0.433 120.935 120.500 0.003 0.000 2.105 361 R HA -0.207 4.147 4.340 0.024 0.000 0.239 361 R C 2.224 178.525 176.300 0.002 0.000 1.135 361 R CA 1.564 57.665 56.100 0.003 0.000 0.967 361 R CB -0.299 30.003 30.300 0.003 0.000 0.861 361 R HN 0.416 nan 8.270 nan 0.000 0.442 362 A N 1.228 124.049 122.820 0.002 0.000 1.858 362 A HA -0.156 4.178 4.320 0.024 0.000 0.216 362 A C 2.176 179.760 177.584 -0.001 0.000 1.190 362 A CA 1.458 53.495 52.037 0.000 0.000 0.617 362 A CB -0.567 18.434 19.000 0.001 0.000 0.827 362 A HN 0.324 nan 8.150 nan 0.000 0.443 363 I N -0.066 120.507 120.570 0.004 0.000 2.208 363 I HA -0.327 3.857 4.170 0.024 0.000 0.245 363 I C 2.960 179.078 176.117 0.002 0.000 1.097 363 I CA 1.167 62.470 61.300 0.005 0.000 1.363 363 I CB -0.346 37.666 38.000 0.020 0.000 1.051 363 I HN 0.373 nan 8.210 nan 0.000 0.413 364 A N 0.376 123.199 122.820 0.005 0.000 1.940 364 A HA -0.251 4.083 4.320 0.024 0.000 0.219 364 A C 1.892 179.474 177.584 -0.004 0.000 1.176 364 A CA 2.252 54.292 52.037 0.005 0.000 0.631 364 A CB -0.593 18.411 19.000 0.006 0.000 0.814 364 A HN 0.353 nan 8.150 nan 0.000 0.446 365 D N -0.384 120.012 120.400 -0.006 0.000 2.077 365 D HA -0.018 4.637 4.640 0.024 0.000 0.196 365 D C 1.956 178.244 176.300 -0.019 0.000 0.986 365 D CA 1.597 55.590 54.000 -0.010 0.000 0.829 365 D CB -0.694 40.102 40.800 -0.008 0.000 0.983 365 D HN 0.390 nan 8.370 nan 0.000 0.453 366 G N -0.755 108.033 108.800 -0.021 0.000 3.155 366 G HA2 0.011 3.986 3.960 0.024 0.000 0.213 366 G HA3 0.011 3.986 3.960 0.024 0.000 0.213 366 G C 1.018 175.889 174.900 -0.048 0.000 1.196 366 G CA 1.236 46.318 45.100 -0.030 0.000 0.846 366 G HN 0.417 nan 8.290 nan 0.000 0.516 367 T N -5.457 109.065 114.554 -0.053 0.000 3.029 367 T HA 0.345 4.709 4.350 0.024 0.000 0.256 367 T C 1.658 176.304 174.700 -0.091 0.000 0.914 367 T CA 1.007 63.056 62.100 -0.086 0.000 0.880 367 T CB 0.189 69.003 68.868 -0.090 0.000 1.246 367 T HN 1.218 nan 8.240 nan 0.000 0.523 368 G N 2.210 110.977 108.800 -0.055 0.000 2.225 368 G HA2 -0.153 3.821 3.960 0.024 0.000 0.264 368 G HA3 -0.153 3.821 3.960 0.024 0.000 0.264 368 G C 0.115 174.992 174.900 -0.040 0.000 1.060 368 G CA 0.654 45.727 45.100 -0.045 0.000 0.833 368 G HN 1.313 nan 8.290 nan 0.000 0.498 369 T N -3.327 111.217 114.554 -0.017 0.000 2.910 369 T HA 0.735 5.099 4.350 0.024 0.000 0.287 369 T C -0.281 174.452 174.700 0.056 0.000 1.050 369 T CA -0.423 61.700 62.100 0.039 0.000 1.011 369 T CB 2.702 71.630 68.868 0.100 0.000 1.195 369 T HN 0.331 nan 8.240 nan 0.000 0.540 370 E N 0.294 120.543 120.200 0.082 0.000 2.227 370 E HA 0.530 4.895 4.350 0.024 0.000 0.282 370 E C -1.275 175.338 176.600 0.022 0.000 1.015 370 E CA -0.800 55.625 56.400 0.041 0.000 0.823 370 E CB 1.050 30.775 29.700 0.042 0.000 1.081 370 E HN 0.487 nan 8.360 nan 0.000 0.396 371 V N 5.899 125.803 119.914 -0.015 0.000 2.448 371 V HA 0.343 4.477 4.120 0.024 0.000 0.295 371 V C -0.252 175.792 176.094 -0.083 0.000 1.025 371 V CA -0.861 61.427 62.300 -0.021 0.000 0.859 371 V CB 1.421 33.247 31.823 0.006 0.000 0.988 371 V HN 0.610 nan 8.190 nan 0.000 0.431 372 I N 3.675 124.187 120.570 -0.097 0.000 2.378 372 I HA 0.477 4.661 4.170 0.024 0.000 0.291 372 I C 0.838 176.914 176.117 -0.069 0.000 0.992 372 I CA -0.147 61.075 61.300 -0.130 0.000 1.154 372 I CB 1.509 39.399 38.000 -0.185 0.000 1.315 372 I HN 0.720 nan 8.210 nan 0.000 0.448 373 G N 7.016 115.783 108.800 -0.055 0.000 2.355 373 G HA2 0.548 4.523 3.960 0.024 0.000 0.276 373 G HA3 0.548 4.523 3.960 0.024 0.000 0.276 373 G C -0.471 174.407 174.900 -0.037 0.000 1.198 373 G CA -0.108 44.971 45.100 -0.034 0.000 0.876 373 G HN 0.356 nan 8.290 nan 0.000 0.478 374 I N 0.716 121.266 120.570 -0.034 0.000 2.722 374 I HA 0.406 4.590 4.170 0.024 0.000 0.295 374 I C -0.518 175.578 176.117 -0.036 0.000 1.161 374 I CA -0.876 60.399 61.300 -0.041 0.000 1.032 374 I CB 2.225 40.193 38.000 -0.053 0.000 1.244 374 I HN 0.408 nan 8.210 nan 0.000 0.421 375 S N 3.500 119.177 115.700 -0.038 0.000 2.669 375 S HA 0.638 5.122 4.470 0.024 0.000 0.315 375 S C 0.757 175.331 174.600 -0.044 0.000 1.106 375 S CA -0.071 58.108 58.200 -0.036 0.000 1.107 375 S CB 1.243 64.427 63.200 -0.028 0.000 0.990 375 S HN 0.734 nan 8.310 nan 0.000 0.471 376 A N 4.315 127.107 122.820 -0.046 0.000 1.897 376 A HA 0.033 4.368 4.320 0.024 0.000 0.215 376 A C 1.873 179.427 177.584 -0.049 0.000 1.181 376 A CA 1.571 53.575 52.037 -0.054 0.000 0.620 376 A CB -0.641 18.326 19.000 -0.056 0.000 0.821 376 A HN 0.987 nan 8.150 nan 0.000 0.443 377 L N -1.285 119.914 121.223 -0.039 0.000 2.179 377 L HA 0.086 4.441 4.340 0.024 0.000 0.208 377 L C 1.605 178.456 176.870 -0.033 0.000 1.096 377 L CA 2.312 57.132 54.840 -0.034 0.000 0.779 377 L CB -0.905 41.138 42.059 -0.027 0.000 0.922 377 L HN 0.413 nan 8.230 nan 0.000 0.443 378 N N 0.556 119.237 118.700 -0.032 0.000 2.446 378 N HA -0.039 4.715 4.740 0.024 0.000 0.179 378 N C 1.149 176.639 175.510 -0.034 0.000 1.054 378 N CA 0.742 53.775 53.050 -0.029 0.000 0.905 378 N CB 0.061 38.533 38.487 -0.025 0.000 0.973 378 N HN 0.589 nan 8.380 nan 0.000 0.448 379 G N 1.766 110.540 108.800 -0.043 0.000 2.295 379 G HA2 -0.229 3.745 3.960 0.024 0.000 0.287 379 G HA3 -0.229 3.745 3.960 0.024 0.000 0.287 379 G C -0.715 174.157 174.900 -0.046 0.000 1.055 379 G CA 0.349 45.418 45.100 -0.052 0.000 0.922 379 G HN 0.461 nan 8.290 nan 0.000 0.503 380 D N -0.207 120.168 120.400 -0.042 0.000 2.373 380 D HA 0.528 5.183 4.640 0.024 0.000 0.227 380 D C 1.196 177.475 176.300 -0.035 0.000 1.091 380 D CA 0.893 54.873 54.000 -0.033 0.000 0.840 380 D CB 0.439 41.224 40.800 -0.026 0.000 1.060 380 D HN 1.220 nan 8.370 nan 0.000 0.502 381 G N 4.122 112.904 108.800 -0.030 0.000 2.160 381 G HA2 -0.266 3.708 3.960 0.024 0.000 0.251 381 G HA3 -0.266 3.708 3.960 0.024 0.000 0.251 381 G C 1.195 176.070 174.900 -0.042 0.000 1.008 381 G CA 0.241 45.325 45.100 -0.026 0.000 0.724 381 G HN 0.555 nan 8.290 nan 0.000 0.514 382 I N 1.673 122.205 120.570 -0.063 0.000 2.315 382 I HA -0.110 4.074 4.170 0.024 0.000 0.248 382 I C 2.592 178.645 176.117 -0.106 0.000 1.117 382 I CA 2.202 63.441 61.300 -0.101 0.000 1.404 382 I CB -0.819 37.106 38.000 -0.126 0.000 1.071 382 I HN 0.469 nan 8.210 nan 0.000 0.419 383 D N 0.097 120.458 120.400 -0.065 0.000 2.263 383 D HA -0.149 4.506 4.640 0.024 0.000 0.208 383 D C 1.744 178.041 176.300 -0.006 0.000 0.971 383 D CA 1.184 55.165 54.000 -0.032 0.000 0.867 383 D CB -0.837 39.967 40.800 0.006 0.000 0.929 383 D HN 0.224 nan 8.370 nan 0.000 0.492 384 T N 0.518 115.076 114.554 0.007 0.000 2.851 384 T HA -0.034 4.330 4.350 0.024 0.000 0.262 384 T C 1.776 176.541 174.700 0.109 0.000 1.043 384 T CA 0.614 62.758 62.100 0.074 0.000 1.140 384 T CB -0.298 68.615 68.868 0.075 0.000 0.872 384 T HN 0.082 nan 8.240 nan 0.000 0.446 385 L N 1.565 122.787 121.223 -0.001 0.000 2.012 385 L HA -0.045 4.310 4.340 0.024 0.000 0.210 385 L C 2.101 178.921 176.870 -0.085 0.000 1.073 385 L CA 1.845 56.661 54.840 -0.040 0.000 0.748 385 L CB -0.517 41.480 42.059 -0.104 0.000 0.891 385 L HN 0.087 nan 8.230 nan 0.000 0.431 386 K N -1.000 119.266 120.400 -0.224 0.000 2.148 386 K HA -0.183 4.152 4.320 0.024 0.000 0.204 386 K C 2.116 178.502 176.600 -0.356 0.000 1.050 386 K CA 1.337 57.329 56.287 -0.492 0.000 0.942 386 K CB -0.272 31.692 32.500 -0.893 0.000 0.724 386 K HN 0.483 nan 8.250 nan 0.000 0.446 387 Q N 0.279 120.017 119.800 -0.103 0.000 2.224 387 Q HA -0.176 4.179 4.340 0.024 0.000 0.203 387 Q C 1.260 177.237 176.000 -0.038 0.000 0.970 387 Q CA 1.509 57.328 55.803 0.027 0.000 0.865 387 Q CB 0.105 28.859 28.738 0.026 0.000 0.922 387 Q HN 0.513 nan 8.270 nan 0.000 0.445 388 H N -0.979 118.082 119.070 -0.016 0.000 2.431 388 H HA 0.099 4.668 4.556 0.022 0.000 0.295 388 H C 1.909 177.249 175.328 0.021 0.000 1.038 388 H CA 1.150 57.203 56.048 0.008 0.000 1.360 388 H CB 0.186 29.946 29.762 -0.003 0.000 1.433 388 H HN 0.151 nan 8.280 nan 0.000 0.536 389 M N -0.301 119.349 119.600 0.085 0.000 2.108 389 M HA -0.076 4.418 4.480 0.024 0.000 0.261 389 M C 1.559 177.995 176.300 0.226 0.000 1.066 389 M CA 1.516 56.851 55.300 0.059 0.000 1.107 389 M CB -0.173 32.307 32.600 -0.201 0.000 1.356 389 M HN 0.352 nan 8.290 nan 0.000 0.406 390 G N -0.705 108.224 108.800 0.215 0.000 3.414 390 G HA2 0.002 3.976 3.960 0.024 0.000 0.258 390 G HA3 0.002 3.976 3.960 0.024 0.000 0.258 390 G C 0.018 175.041 174.900 0.206 0.000 1.348 390 G CA 0.079 45.395 45.100 0.360 0.000 1.319 390 G HN 0.339 nan 8.290 nan 0.000 0.555 391 D N -0.551 119.945 120.400 0.161 0.000 2.531 391 D HA 0.054 4.708 4.640 0.024 0.000 0.263 391 D C 2.029 178.382 176.300 0.089 0.000 1.057 391 D CA -0.174 53.886 54.000 0.099 0.000 0.909 391 D CB 0.259 41.099 40.800 0.066 0.000 1.236 391 D HN 0.216 nan 8.370 nan 0.000 0.494 392 L N 0.966 122.249 121.223 0.101 0.000 2.509 392 L HA 0.077 4.431 4.340 0.024 0.000 0.222 392 L C 1.668 178.569 176.870 0.052 0.000 1.123 392 L CA 0.378 55.262 54.840 0.073 0.000 0.856 392 L CB 0.266 42.371 42.059 0.077 0.000 0.985 392 L HN -0.015 nan 8.230 nan 0.000 0.456 393 V N -2.860 117.091 119.914 0.062 0.000 3.444 393 V HA -0.058 4.076 4.120 0.024 0.000 0.271 393 V C 1.029 177.130 176.094 0.012 0.000 1.188 393 V CA 0.383 62.681 62.300 -0.003 0.000 1.168 393 V CB -1.119 30.667 31.823 -0.062 0.000 0.810 393 V HN 0.262 nan 8.190 nan 0.000 0.500 394 K N 2.973 123.399 120.400 0.043 0.000 2.263 394 K HA 0.331 4.666 4.320 0.024 0.000 0.282 394 K C -0.228 176.391 176.600 0.032 0.000 1.089 394 K CA -0.136 56.176 56.287 0.041 0.000 0.907 394 K CB 0.323 32.848 32.500 0.043 0.000 1.148 394 K HN 0.832 nan 8.250 nan 0.000 0.470 395 N N 1.508 120.229 118.700 0.037 0.000 2.384 395 N HA 0.443 5.197 4.740 0.024 0.000 0.301 395 N C -0.035 175.475 175.510 -0.000 0.000 1.133 395 N CA -0.853 52.214 53.050 0.027 0.000 0.853 395 N CB 1.075 39.587 38.487 0.042 0.000 1.241 395 N HN 0.115 nan 8.380 nan 0.000 0.502 402 A N 1.124 123.922 122.820 -0.036 0.000 4.287 402 A HA -0.251 4.084 4.320 0.024 0.000 0.258 402 A C 0.889 178.462 177.584 -0.018 0.000 0.811 402 A CA 1.926 53.949 52.037 -0.023 0.000 1.245 402 A CB -1.351 17.638 19.000 -0.019 0.000 1.055 402 A HN 0.566 nan 8.150 nan 0.000 0.763 403 S N -1.051 114.637 115.700 -0.019 0.000 2.687 403 S HA 0.581 5.065 4.470 0.024 0.000 0.283 403 S C 0.354 174.952 174.600 -0.003 0.000 1.170 403 S CA 0.026 58.220 58.200 -0.010 0.000 1.008 403 S CB 1.217 64.412 63.200 -0.009 0.000 1.026 403 S HN 1.295 nan 8.310 nan 0.000 0.541 404 V N 3.967 123.883 119.914 0.002 0.000 2.673 404 V HA 0.202 4.337 4.120 0.024 0.000 0.303 404 V C 0.240 176.345 176.094 0.018 0.000 1.046 404 V CA 0.146 62.449 62.300 0.005 0.000 1.126 404 V CB -0.351 31.474 31.823 0.003 0.000 0.934 404 V HN 0.653 nan 8.190 nan 0.000 0.487 405 L N 4.645 125.879 121.223 0.020 0.000 2.334 405 L HA 0.689 5.044 4.340 0.024 0.000 0.272 405 L C -0.237 176.646 176.870 0.022 0.000 1.020 405 L CA -0.886 53.979 54.840 0.041 0.000 0.812 405 L CB 2.078 44.169 42.059 0.055 0.000 1.264 405 L HN 0.663 nan 8.230 nan 0.000 0.439 406 V N -1.309 118.642 119.914 0.062 0.000 2.384 406 V HA 0.532 4.667 4.120 0.024 0.000 0.287 406 V C 0.113 176.289 176.094 0.136 0.000 1.020 406 V CA -0.354 61.975 62.300 0.048 0.000 0.850 406 V CB 0.984 32.859 31.823 0.087 0.000 0.987 406 V HN 0.754 nan 8.190 nan 0.000 0.436 407 T N 2.975 117.548 114.554 0.032 0.000 2.793 407 T HA 0.279 4.644 4.350 0.024 0.000 0.299 407 T C 0.719 175.607 174.700 0.313 0.000 1.038 407 T CA -0.170 62.000 62.100 0.116 0.000 0.948 407 T CB 0.586 69.466 68.868 0.020 0.000 1.231 407 T HN 0.943 nan 8.240 nan 0.000 0.538 408 S N 1.275 117.174 115.700 0.332 0.000 2.691 408 S HA -0.079 4.406 4.470 0.024 0.000 0.320 408 S C 0.407 175.143 174.600 0.228 0.000 1.241 408 S CA -0.254 58.174 58.200 0.381 0.000 1.028 408 S CB -0.577 62.742 63.200 0.198 0.000 0.726 408 S HN 0.539 nan 8.310 nan 0.000 0.488 409 L N 3.276 124.507 121.223 0.014 0.000 2.704 409 L HA 0.369 4.723 4.340 0.024 0.000 0.279 409 L C 0.842 177.656 176.870 -0.093 0.000 1.147 409 L CA 0.717 55.437 54.840 -0.201 0.000 0.994 409 L CB -0.490 41.470 42.059 -0.165 0.000 1.332 409 L HN 0.757 nan 8.230 nan 0.000 0.471 410 R N 1.131 121.547 120.500 -0.140 0.000 3.730 410 R HA 0.014 4.368 4.340 0.024 0.000 0.089 410 R C 1.550 177.705 176.300 -0.242 0.000 0.744 410 R CA 0.407 56.368 56.100 -0.231 0.000 1.870 410 R CB -0.174 29.913 30.300 -0.355 0.000 1.596 410 R HN 0.789 nan 8.270 nan 0.000 0.447 411 H N -0.143 118.885 119.070 -0.070 0.000 2.289 411 H HA -0.197 4.373 4.556 0.023 0.000 0.296 411 H C 1.759 177.033 175.328 -0.090 0.000 1.091 411 H CA 2.505 58.519 56.048 -0.057 0.000 1.274 411 H CB -0.611 29.139 29.762 -0.020 0.000 1.364 411 H HN 0.247 nan 8.280 nan 0.000 0.490 412 Y N 1.740 121.953 120.300 -0.144 0.000 2.081 412 Y HA -0.277 4.287 4.550 0.024 0.000 0.280 412 Y C 2.284 178.050 175.900 -0.223 0.000 1.163 412 Y CA 1.974 59.893 58.100 -0.302 0.000 1.135 412 Y CB -0.307 37.654 38.460 -0.831 0.000 0.970 412 Y HN 0.227 nan 8.280 nan 0.000 0.498 413 E N -0.314 119.697 120.200 -0.315 0.000 2.110 413 E HA -0.174 4.190 4.350 0.024 0.000 0.193 413 E C 2.272 178.659 176.600 -0.355 0.000 0.988 413 E CA 0.952 57.129 56.400 -0.372 0.000 0.804 413 E CB -0.323 29.270 29.700 -0.178 0.000 0.745 413 E HN 0.590 nan 8.360 nan 0.000 0.458 414 A N 0.488 123.160 122.820 -0.247 0.000 2.014 414 A HA -0.074 4.260 4.320 0.024 0.000 0.218 414 A C 2.034 179.474 177.584 -0.239 0.000 1.163 414 A CA 0.677 52.582 52.037 -0.219 0.000 0.652 414 A CB -0.292 18.677 19.000 -0.052 0.000 0.808 414 A HN 0.143 nan 8.150 nan 0.000 0.449 415 L N -0.996 120.100 121.223 -0.212 0.000 2.217 415 L HA -0.099 4.255 4.340 0.024 0.000 0.211 415 L C 2.769 179.487 176.870 -0.252 0.000 1.107 415 L CA 0.549 55.285 54.840 -0.172 0.000 0.783 415 L CB -0.320 41.677 42.059 -0.104 0.000 0.919 415 L HN 0.297 nan 8.230 nan 0.000 0.442 416 R N 0.161 120.424 120.500 -0.395 0.000 2.062 416 R HA -0.095 4.260 4.340 0.024 0.000 0.231 416 R C 1.959 178.060 176.300 -0.332 0.000 1.136 416 R CA 1.259 57.130 56.100 -0.383 0.000 0.948 416 R CB -0.911 29.091 30.300 -0.497 0.000 0.845 416 R HN 0.433 nan 8.270 nan 0.000 0.430 417 N N 1.226 119.642 118.700 -0.473 0.000 2.149 417 N HA -0.153 4.601 4.740 0.024 0.000 0.188 417 N C 1.743 176.982 175.510 -0.451 0.000 1.019 417 N CA 1.522 54.185 53.050 -0.644 0.000 0.857 417 N CB -0.371 37.260 38.487 -1.427 0.000 0.997 417 N HN 0.235 nan 8.380 nan 0.000 0.426 418 A N 0.326 122.950 122.820 -0.327 0.000 1.933 418 A HA -0.142 4.193 4.320 0.024 0.000 0.218 418 A C 2.518 180.076 177.584 -0.043 0.000 1.175 418 A CA 2.004 54.008 52.037 -0.054 0.000 0.628 418 A CB -0.785 18.209 19.000 -0.011 0.000 0.814 418 A HN 0.344 nan 8.150 nan 0.000 0.444 419 S N -0.488 115.157 115.700 -0.092 0.000 2.371 419 S HA -0.147 4.337 4.470 0.024 0.000 0.224 419 S C 1.674 176.247 174.600 -0.046 0.000 1.029 419 S CA 1.467 59.632 58.200 -0.059 0.000 0.978 419 S CB -0.492 62.664 63.200 -0.072 0.000 0.833 419 S HN 0.545 nan 8.310 nan 0.000 0.466 420 D N 1.761 122.117 120.400 -0.074 0.000 2.106 420 D HA -0.063 4.591 4.640 0.024 0.000 0.191 420 D C 2.225 178.521 176.300 -0.008 0.000 0.997 420 D CA 1.549 55.519 54.000 -0.049 0.000 0.834 420 D CB -0.750 40.004 40.800 -0.077 0.000 0.956 420 D HN 0.491 nan 8.370 nan 0.000 0.448 421 A N 0.202 123.031 122.820 0.015 0.000 1.902 421 A HA -0.121 4.213 4.320 0.024 0.000 0.217 421 A C 2.235 179.847 177.584 0.047 0.000 1.181 421 A CA 0.920 52.994 52.037 0.062 0.000 0.623 421 A CB -0.746 18.332 19.000 0.131 0.000 0.818 421 A HN 0.171 nan 8.150 nan 0.000 0.443 422 L N -0.692 120.551 121.223 0.032 0.000 2.083 422 L HA -0.194 4.161 4.340 0.024 0.000 0.209 422 L C 2.696 179.580 176.870 0.022 0.000 1.083 422 L CA 1.947 56.802 54.840 0.026 0.000 0.752 422 L CB -0.304 41.765 42.059 0.017 0.000 0.899 422 L HN 0.480 nan 8.230 nan 0.000 0.433 423 Q N -0.985 118.824 119.800 0.015 0.000 2.269 423 Q HA -0.109 4.245 4.340 0.024 0.000 0.201 423 Q C 1.799 177.812 176.000 0.021 0.000 0.946 423 Q CA 0.590 56.402 55.803 0.016 0.000 0.877 423 Q CB 0.154 28.896 28.738 0.006 0.000 0.963 423 Q HN 0.508 nan 8.270 nan 0.000 0.472 424 N N 0.953 119.666 118.700 0.021 0.000 2.084 424 N HA -0.127 4.627 4.740 0.024 0.000 0.190 424 N C 1.587 177.116 175.510 0.032 0.000 1.030 424 N CA 1.596 54.659 53.050 0.023 0.000 0.849 424 N CB -0.360 38.144 38.487 0.029 0.000 1.012 424 N HN 0.272 nan 8.380 nan 0.000 0.423 425 A N 0.357 123.200 122.820 0.040 0.000 1.969 425 A HA -0.057 4.277 4.320 0.024 0.000 0.218 425 A C 2.176 179.785 177.584 0.042 0.000 1.169 425 A CA 0.845 52.908 52.037 0.044 0.000 0.635 425 A CB -0.588 18.439 19.000 0.044 0.000 0.810 425 A HN 0.220 nan 8.150 nan 0.000 0.445 426 L N -0.035 121.210 121.223 0.037 0.000 2.027 426 L HA -0.099 4.255 4.340 0.024 0.000 0.206 426 L C 2.294 179.194 176.870 0.051 0.000 1.074 426 L CA 2.511 57.373 54.840 0.037 0.000 0.745 426 L CB -0.604 41.473 42.059 0.030 0.000 0.898 426 L HN 0.605 nan 8.230 nan 0.000 0.433 427 E N -0.866 119.370 120.200 0.059 0.000 2.150 427 E HA -0.214 4.151 4.350 0.024 0.000 0.193 427 E C 2.329 179.009 176.600 0.134 0.000 0.985 427 E CA 0.820 57.279 56.400 0.099 0.000 0.814 427 E CB -0.132 29.613 29.700 0.076 0.000 0.752 427 E HN 0.515 nan 8.360 nan 0.000 0.466 428 L N 0.650 121.921 121.223 0.079 0.000 2.191 428 L HA -0.160 4.194 4.340 0.024 0.000 0.212 428 L C 2.132 179.057 176.870 0.091 0.000 1.103 428 L CA 0.757 55.642 54.840 0.075 0.000 0.769 428 L CB -0.050 42.036 42.059 0.045 0.000 0.908 428 L HN 0.258 nan 8.230 nan 0.000 0.438 429 I N -1.078 119.536 120.570 0.073 0.000 2.333 429 I HA -0.194 3.990 4.170 0.024 0.000 0.246 429 I C 2.656 178.804 176.117 0.052 0.000 1.106 429 I CA 0.951 62.284 61.300 0.055 0.000 1.411 429 I CB -0.510 37.513 38.000 0.038 0.000 1.082 429 I HN 0.154 nan 8.210 nan 0.000 0.420 430 A N -0.187 122.668 122.820 0.057 0.000 2.019 430 A HA -0.212 4.122 4.320 0.024 0.000 0.219 430 A C 2.028 179.586 177.584 -0.042 0.000 1.164 430 A CA 1.480 53.523 52.037 0.011 0.000 0.644 430 A CB -0.838 18.171 19.000 0.015 0.000 0.805 430 A HN 0.469 nan 8.150 nan 0.000 0.449 431 H N -0.901 118.173 119.070 0.006 0.000 2.526 431 H HA 0.124 4.694 4.556 0.024 0.000 0.274 431 H C -0.255 175.076 175.328 0.005 0.000 0.999 431 H CA 0.568 56.619 56.048 0.005 0.000 1.157 431 H CB 0.034 29.799 29.762 0.005 0.000 1.407 431 H HN 0.638 nan 8.280 nan 0.000 0.568 432 E N 0.687 120.937 120.200 0.082 0.000 2.389 432 E HA -0.141 4.223 4.350 0.024 0.000 0.243 432 E C -0.349 176.284 176.600 0.054 0.000 1.154 432 E CA 0.170 56.600 56.400 0.050 0.000 0.723 432 E CB -0.898 28.818 29.700 0.026 0.000 1.261 432 E HN 0.236 nan 8.360 nan 0.000 0.390 433 S N 0.296 116.034 115.700 0.063 0.000 2.681 433 S HA 0.276 4.760 4.470 0.024 0.000 0.270 433 S C 0.273 174.892 174.600 0.033 0.000 1.209 433 S CA -0.913 57.313 58.200 0.044 0.000 0.988 433 S CB 0.968 64.191 63.200 0.038 0.000 1.006 433 S HN 0.172 nan 8.310 nan 0.000 0.558 434 E N 1.451 121.664 120.200 0.023 0.000 2.481 434 E HA 0.005 4.369 4.350 0.024 0.000 0.263 434 E C 1.448 178.066 176.600 0.031 0.000 0.992 434 E CA 0.448 56.860 56.400 0.021 0.000 0.938 434 E CB 0.284 29.991 29.700 0.012 0.000 0.933 434 E HN 0.728 nan 8.360 nan 0.000 0.453 435 T N -0.176 114.397 114.554 0.032 0.000 2.788 435 T HA -0.233 4.132 4.350 0.024 0.000 0.268 435 T C 1.260 175.995 174.700 0.059 0.000 1.044 435 T CA 1.535 63.659 62.100 0.040 0.000 1.139 435 T CB -0.147 68.741 68.868 0.033 0.000 0.867 435 T HN 0.485 nan 8.240 nan 0.000 0.454 436 E N 0.904 121.139 120.200 0.058 0.000 2.097 436 E HA -0.059 4.305 4.350 0.024 0.000 0.196 436 E C 2.207 178.882 176.600 0.125 0.000 1.000 436 E CA 1.369 57.823 56.400 0.089 0.000 0.804 436 E CB -0.350 29.380 29.700 0.051 0.000 0.740 436 E HN 0.479 nan 8.360 nan 0.000 0.454 437 L N 0.279 121.542 121.223 0.067 0.000 2.156 437 L HA -0.124 4.230 4.340 0.024 0.000 0.208 437 L C 2.298 179.236 176.870 0.113 0.000 1.095 437 L CA 0.608 55.487 54.840 0.066 0.000 0.770 437 L CB -0.074 41.993 42.059 0.013 0.000 0.914 437 L HN 0.162 nan 8.230 nan 0.000 0.439 438 I N -0.513 120.111 120.570 0.089 0.000 2.233 438 I HA -0.220 3.965 4.170 0.024 0.000 0.243 438 I C 2.652 178.820 176.117 0.086 0.000 1.093 438 I CA 1.095 62.441 61.300 0.077 0.000 1.380 438 I CB -0.271 37.761 38.000 0.055 0.000 1.067 438 I HN 0.149 nan 8.210 nan 0.000 0.413 439 A N -0.171 122.702 122.820 0.089 0.000 2.070 439 A HA -0.217 4.117 4.320 0.024 0.000 0.220 439 A C 2.082 179.699 177.584 0.056 0.000 1.159 439 A CA 1.313 53.387 52.037 0.061 0.000 0.656 439 A CB -0.842 18.190 19.000 0.052 0.000 0.800 439 A HN 0.437 nan 8.150 nan 0.000 0.453 440 F N -0.132 119.817 119.950 -0.002 0.000 2.615 440 F HA 0.044 4.585 4.527 0.023 0.000 0.297 440 F C 2.135 177.933 175.800 -0.003 0.000 1.124 440 F CA 0.995 58.991 58.000 -0.006 0.000 1.451 440 F CB 0.343 39.339 39.000 -0.007 0.000 1.103 440 F HN 0.182 nan 8.300 nan 0.000 0.569 441 E N -0.064 120.235 120.200 0.164 0.000 2.140 441 E HA 0.001 4.365 4.350 0.024 0.000 0.191 441 E C 2.439 179.068 176.600 0.050 0.000 0.973 441 E CA 0.554 57.021 56.400 0.112 0.000 0.829 441 E CB -0.313 29.446 29.700 0.099 0.000 0.781 441 E HN 0.378 nan 8.360 nan 0.000 0.466 442 L N 0.549 121.786 121.223 0.023 0.000 2.083 442 L HA -0.122 4.232 4.340 0.024 0.000 0.209 442 L C 2.624 179.466 176.870 -0.047 0.000 1.083 442 L CA 1.036 55.874 54.840 -0.003 0.000 0.752 442 L CB -0.449 41.607 42.059 -0.004 0.000 0.899 442 L HN 0.053 nan 8.230 nan 0.000 0.433 443 R N 0.174 120.607 120.500 -0.113 0.000 2.073 443 R HA -0.150 4.205 4.340 0.024 0.000 0.234 443 R C 2.420 178.616 176.300 -0.173 0.000 1.134 443 R CA 1.500 57.484 56.100 -0.193 0.000 0.952 443 R CB -0.438 29.631 30.300 -0.384 0.000 0.850 443 R HN 0.356 nan 8.270 nan 0.000 0.433 444 A N 1.086 123.828 122.820 -0.130 0.000 1.933 444 A HA -0.095 4.240 4.320 0.024 0.000 0.218 444 A C 2.355 179.918 177.584 -0.035 0.000 1.175 444 A CA 1.646 53.610 52.037 -0.120 0.000 0.628 444 A CB -0.502 18.511 19.000 0.021 0.000 0.814 444 A HN 0.406 nan 8.150 nan 0.000 0.444 445 A N -0.229 122.634 122.820 0.071 0.000 1.858 445 A HA -0.086 4.248 4.320 0.024 0.000 0.216 445 A C 2.219 179.854 177.584 0.084 0.000 1.190 445 A CA 1.572 53.692 52.037 0.138 0.000 0.617 445 A CB -0.759 18.288 19.000 0.078 0.000 0.827 445 A HN 0.664 nan 8.150 nan 0.000 0.443 446 L N -0.361 120.866 121.223 0.007 0.000 2.042 446 L HA -0.239 4.115 4.340 0.024 0.000 0.210 446 L C 2.147 178.996 176.870 -0.034 0.000 1.076 446 L CA 2.566 57.398 54.840 -0.013 0.000 0.749 446 L CB -0.368 41.667 42.059 -0.039 0.000 0.893 446 L HN 0.524 nan 8.230 nan 0.000 0.432 447 D N -1.932 118.405 120.400 -0.106 0.000 2.178 447 D HA -0.234 4.420 4.640 0.024 0.000 0.201 447 D C 1.826 178.040 176.300 -0.145 0.000 0.980 447 D CA 1.297 55.196 54.000 -0.169 0.000 0.842 447 D CB -0.029 40.598 40.800 -0.288 0.000 0.948 447 D HN 0.413 nan 8.370 nan 0.000 0.472 448 Y N -0.341 119.939 120.300 -0.033 0.000 2.220 448 Y HA -0.058 4.508 4.550 0.026 0.000 0.291 448 Y C 2.404 178.287 175.900 -0.029 0.000 1.129 448 Y CA 0.442 58.520 58.100 -0.036 0.000 1.161 448 Y CB -0.667 37.767 38.460 -0.043 0.000 0.997 448 Y HN -0.081 nan 8.280 nan 0.000 0.522 449 V N -0.603 119.391 119.914 0.133 0.000 2.343 449 V HA -0.249 3.886 4.120 0.024 0.000 0.247 449 V C 2.527 178.656 176.094 0.059 0.000 1.051 449 V CA 1.995 64.342 62.300 0.078 0.000 1.036 449 V CB -1.412 30.444 31.823 0.055 0.000 0.654 449 V HN 0.538 nan 8.190 nan 0.000 0.451 450 G N -1.452 107.371 108.800 0.038 0.000 2.432 450 G HA2 -0.319 3.656 3.960 0.024 0.000 0.219 450 G HA3 -0.319 3.656 3.960 0.024 0.000 0.219 450 G C 1.497 176.420 174.900 0.037 0.000 1.135 450 G CA 0.867 45.986 45.100 0.031 0.000 0.767 450 G HN 0.519 nan 8.290 nan 0.000 0.550 451 Q N 0.039 119.858 119.800 0.032 0.000 2.152 451 Q HA -0.140 4.214 4.340 0.024 0.000 0.206 451 Q C 2.503 178.510 176.000 0.011 0.000 0.985 451 Q CA 1.734 57.552 55.803 0.025 0.000 0.863 451 Q CB -0.267 28.503 28.738 0.053 0.000 0.904 451 Q HN 0.787 nan 8.270 nan 0.000 0.422 452 I N -2.432 118.154 120.570 0.028 0.000 2.617 452 I HA -0.037 4.148 4.170 0.024 0.000 0.256 452 I C 1.564 177.708 176.117 0.046 0.000 1.167 452 I CA 1.407 62.719 61.300 0.019 0.000 1.469 452 I CB -0.437 37.619 38.000 0.094 0.000 1.098 452 I HN 0.053 nan 8.210 nan 0.000 0.436 453 T N -1.858 112.736 114.554 0.067 0.000 3.188 453 T HA 0.438 4.803 4.350 0.024 0.000 0.250 453 T C 1.514 176.293 174.700 0.132 0.000 1.077 453 T CA 0.252 62.405 62.100 0.089 0.000 0.967 453 T CB -0.024 68.903 68.868 0.098 0.000 1.006 453 T HN 0.707 nan 8.240 nan 0.000 0.552 454 G N 1.995 110.850 108.800 0.091 0.000 2.189 454 G HA2 -0.347 3.628 3.960 0.024 0.000 0.267 454 G HA3 -0.347 3.628 3.960 0.024 0.000 0.267 454 G C 1.142 176.192 174.900 0.250 0.000 0.975 454 G CA 0.466 45.693 45.100 0.212 0.000 0.644 454 G HN 0.457 nan 8.290 nan 0.000 0.537 455 K N -0.370 120.117 120.400 0.146 0.000 2.113 455 K HA -0.047 4.287 4.320 0.024 0.000 0.208 455 K C 1.284 177.916 176.600 0.053 0.000 1.047 455 K CA 1.528 57.864 56.287 0.083 0.000 0.928 455 K CB -0.260 32.269 32.500 0.048 0.000 0.716 455 K HN 0.462 nan 8.250 nan 0.000 0.446 456 V N 3.401 123.342 119.914 0.045 0.000 2.311 456 V HA 0.111 4.246 4.120 0.024 0.000 0.275 456 V C 0.281 176.405 176.094 0.049 0.000 1.022 456 V CA -0.975 61.338 62.300 0.021 0.000 0.830 456 V CB 0.963 32.775 31.823 -0.019 0.000 1.012 456 V HN -0.016 nan 8.190 nan 0.000 0.452 457 V N 2.158 122.112 119.914 0.067 0.000 3.051 457 V HA 0.422 4.556 4.120 0.024 0.000 0.306 457 V C 0.821 176.944 176.094 0.049 0.000 1.083 457 V CA 0.017 62.376 62.300 0.098 0.000 1.104 457 V CB 1.152 33.041 31.823 0.110 0.000 1.027 457 V HN 0.778 nan 8.190 nan 0.000 0.483 458 N N 0.313 119.041 118.700 0.047 0.000 2.419 458 N HA 0.001 4.755 4.740 0.024 0.000 0.216 458 N C 1.093 176.617 175.510 0.024 0.000 1.118 458 N CA 0.710 53.771 53.050 0.019 0.000 0.850 458 N CB 0.587 39.072 38.487 -0.004 0.000 1.292 458 N HN 1.009 nan 8.380 nan 0.000 0.467 459 E N 0.488 120.715 120.200 0.045 0.000 2.883 459 E HA -0.256 4.109 4.350 0.024 0.000 0.271 459 E C 0.258 176.874 176.600 0.027 0.000 1.049 459 E CA 1.118 57.548 56.400 0.050 0.000 0.817 459 E CB -0.662 29.065 29.700 0.045 0.000 1.407 459 E HN 0.644 nan 8.360 nan 0.000 0.434 460 E N -1.411 118.794 120.200 0.008 0.000 2.505 460 E HA 0.038 4.402 4.350 0.024 0.000 0.212 460 E C 1.501 178.084 176.600 -0.027 0.000 0.825 460 E CA 0.600 56.997 56.400 -0.004 0.000 1.333 460 E CB 0.368 30.065 29.700 -0.006 0.000 1.319 460 E HN 0.124 nan 8.360 nan 0.000 0.658 461 V N 2.017 121.906 119.914 -0.041 0.000 2.358 461 V HA -0.208 3.927 4.120 0.024 0.000 0.246 461 V C 2.440 178.458 176.094 -0.126 0.000 1.047 461 V CA 1.320 63.568 62.300 -0.087 0.000 1.035 461 V CB -0.384 31.383 31.823 -0.093 0.000 0.658 461 V HN 0.357 nan 8.190 nan 0.000 0.452 462 L N 0.260 121.442 121.223 -0.068 0.000 2.129 462 L HA -0.220 4.135 4.340 0.024 0.000 0.212 462 L C 2.408 179.288 176.870 0.017 0.000 1.087 462 L CA 1.573 56.399 54.840 -0.023 0.000 0.757 462 L CB -0.702 41.455 42.059 0.163 0.000 0.896 462 L HN 0.493 nan 8.230 nan 0.000 0.434 463 N N -0.480 118.227 118.700 0.011 0.000 2.173 463 N HA -0.119 4.636 4.740 0.024 0.000 0.184 463 N C 1.863 177.354 175.510 -0.032 0.000 1.025 463 N CA 2.001 55.065 53.050 0.024 0.000 0.852 463 N CB -0.194 38.306 38.487 0.023 0.000 0.998 463 N HN 0.419 nan 8.380 nan 0.000 0.427 464 T N -0.450 114.063 114.554 -0.069 0.000 2.962 464 T HA 0.047 4.412 4.350 0.024 0.000 0.270 464 T C 2.052 176.672 174.700 -0.134 0.000 1.088 464 T CA 0.524 62.578 62.100 -0.077 0.000 1.127 464 T CB -0.207 68.618 68.868 -0.071 0.000 0.883 464 T HN 0.103 nan 8.240 nan 0.000 0.493 465 I N -0.439 119.973 120.570 -0.263 0.000 2.206 465 I HA 0.070 4.254 4.170 0.024 0.000 0.239 465 I C 1.710 177.505 176.117 -0.536 0.000 1.078 465 I CA 1.112 62.130 61.300 -0.470 0.000 1.367 465 I CB -0.200 37.311 38.000 -0.816 0.000 1.078 465 I HN 0.132 nan 8.210 nan 0.000 0.413 466 F N 0.782 120.520 119.950 -0.353 0.000 2.811 466 F HA -0.047 4.495 4.527 0.025 0.000 0.301 466 F C 1.755 177.484 175.800 -0.118 0.000 1.151 466 F CA 0.386 58.112 58.000 -0.455 0.000 1.412 466 F CB -0.624 38.159 39.000 -0.361 0.000 1.113 466 F HN 0.080 nan 8.300 nan 0.000 0.579 467 D N -0.025 120.422 120.400 0.079 0.000 2.234 467 D HA -0.064 4.590 4.640 0.024 0.000 0.205 467 D C 2.023 178.407 176.300 0.141 0.000 0.962 467 D CA 0.701 54.764 54.000 0.105 0.000 0.855 467 D CB -0.012 40.821 40.800 0.055 0.000 0.951 467 D HN 0.109 nan 8.370 nan 0.000 0.500 468 K N 0.147 120.640 120.400 0.156 0.000 2.439 468 K HA -0.007 4.327 4.320 0.024 0.000 0.197 468 K C 0.355 177.148 176.600 0.321 0.000 1.041 468 K CA 0.056 56.450 56.287 0.179 0.000 0.970 468 K CB -0.121 32.461 32.500 0.136 0.000 0.773 468 K HN 0.110 nan 8.250 nan 0.000 0.479 469 F N 1.236 121.254 119.950 0.114 0.000 2.429 469 F HA 0.026 4.567 4.527 0.023 0.000 0.348 469 F C 1.037 176.951 175.800 0.190 0.000 1.109 469 F CA -1.788 56.330 58.000 0.197 0.000 1.232 469 F CB 0.016 39.193 39.000 0.294 0.000 1.157 469 F HN -0.014 nan 8.300 nan 0.000 0.564 470 C N 3.998 123.485 119.300 0.311 0.000 2.676 470 C HA 0.288 4.762 4.460 0.024 0.000 0.416 470 C C 0.933 176.058 174.990 0.226 0.000 1.299 470 C CA -1.441 57.712 59.018 0.225 0.000 2.048 470 C CB -0.809 27.029 27.740 0.164 0.000 2.713 470 C HN 0.515 nan 8.230 nan 0.000 0.624 471 I N 3.206 123.886 120.570 0.183 0.000 2.691 471 I HA 0.332 4.516 4.170 0.024 0.000 0.288 471 I C 1.271 177.514 176.117 0.209 0.000 1.143 471 I CA 1.512 62.927 61.300 0.192 0.000 1.364 471 I CB -0.731 37.356 38.000 0.145 0.000 1.435 471 I HN 1.137 nan 8.210 nan 0.000 0.551 472 G N 5.723 114.712 108.800 0.315 0.000 2.244 472 G HA2 -0.089 3.885 3.960 0.024 0.000 0.163 472 G HA3 -0.089 3.885 3.960 0.024 0.000 0.163 472 G C -0.138 174.883 174.900 0.203 0.000 1.064 472 G CA -0.110 45.172 45.100 0.304 0.000 0.757 472 G HN 0.837 nan 8.290 nan 0.000 0.484 473 K N 0.000 120.673 120.400 0.455 0.000 2.780 473 K HA 0.000 4.334 4.320 0.024 0.000 0.191 473 K CA 0.000 56.544 56.287 0.428 0.000 0.838 473 K CB 0.000 32.629 32.500 0.215 0.000 1.064 473 K HN 0.000 nan 8.250 nan 0.000 0.543