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 3h7l_1_B DATA FIRST_RESID 1 DATA SEQUENCE SLLLTNHIGY ERLGPKKAII QTEQPHLSSY TAQLICATSE QTVATFAVEE DATA SEQUENCE QGKVANWHQG YFYLIDFSSF TDSGDYFLQV EDSRSSTFTV GEHILLNQTL DATA SEQUENCE SDVIHYFKSQ RCGGVFDQQD RQVPVLNANQ TADVHGGWYD ASGDVSKYLS DATA SEQUENCE HLSYANYLNP QQTPMVVWNI LKGLSLLEGS EDIAAFTRTR LIEEALFGAD DATA SEQUENCE FLVRMQNEKG FFYMTVFDKW SKDTAQREIC AYETQLGHKF DDYQAGFRQG DATA SEQUENCE GGVAIAALAA ASRLGVHGEY DQQKYRNAAE NGYWHLKEHN TQYLNDGEEN DATA SEQUENCE IIDEYCALLA SVELFKATKE TRYLEESRLW AQRLVARQMS DEQIQHFWSA DATA SEQUENCE NQDGSRPYFH AAEAGLPTIA LCEYLAIEDD SVQTESVKCI VNRACEFEIK DATA SEQUENCE ISNKVTNPFG YPRQYVKGVN ESKRDAFFVA HNNESGYWWQ GENARLGSLA DATA SEQUENCE TMAYLAQPHI ASQEIQQQLS VFAQDALNWI VGLNPYDMCM LDGHGRNNPD DATA SEQUENCE YLPQYGFFNA KGGVCNGITG GFEDEEDIAF NPPAQKDDML QNWRWGEQWI DATA SEQUENCE PHGAWYLLAI MSQAQHISQL ATSKN 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.607 174.600 0.012 0.000 1.055 1 S CA 0.000 58.199 58.200 -0.002 0.000 1.107 1 S CB 0.000 63.186 63.200 -0.024 0.000 0.593 2 L N 3.948 125.192 121.223 0.035 0.000 2.334 2 L HA 0.681 5.021 4.340 -0.001 0.000 0.276 2 L C -0.781 176.139 176.870 0.084 0.000 1.014 2 L CA -1.078 53.796 54.840 0.056 0.000 0.815 2 L CB 1.776 43.877 42.059 0.070 0.000 1.268 2 L HN 0.581 nan 8.230 nan 0.000 0.428 3 L N 4.795 126.068 121.223 0.084 0.000 2.297 3 L HA 0.449 4.788 4.340 -0.001 0.000 0.277 3 L C -0.612 176.345 176.870 0.145 0.000 1.040 3 L CA -0.126 54.778 54.840 0.107 0.000 0.867 3 L CB 0.589 42.701 42.059 0.088 0.000 1.244 3 L HN 0.393 nan 8.230 nan 0.000 0.433 4 L N 4.936 126.267 121.223 0.179 0.000 2.331 4 L HA 0.597 4.936 4.340 -0.001 0.000 0.278 4 L C 0.572 177.584 176.870 0.237 0.000 1.106 4 L CA -0.189 54.786 54.840 0.225 0.000 0.824 4 L CB 1.013 43.247 42.059 0.293 0.000 1.142 4 L HN 0.714 nan 8.230 nan 0.000 0.443 5 T N -1.423 113.293 114.554 0.270 0.000 2.838 5 T HA 0.255 4.605 4.350 -0.001 0.000 0.292 5 T C -0.349 174.513 174.700 0.270 0.000 1.113 5 T CA -0.987 61.282 62.100 0.283 0.000 1.008 5 T CB 1.522 70.540 68.868 0.250 0.000 1.259 5 T HN 0.419 nan 8.240 nan 0.000 0.520 6 N N 0.342 119.104 118.700 0.103 0.000 2.440 6 N HA -0.025 4.714 4.740 -0.001 0.000 0.265 6 N C 1.011 176.600 175.510 0.132 0.000 1.239 6 N CA 0.427 53.429 53.050 -0.081 0.000 0.909 6 N CB 0.141 38.223 38.487 -0.674 0.000 1.066 6 N HN 0.708 nan 8.380 nan 0.000 0.474 7 H N 3.143 122.225 119.070 0.021 0.000 2.491 7 H HA -0.040 4.516 4.556 -0.001 0.000 0.290 7 H C 1.258 176.660 175.328 0.123 0.000 1.050 7 H CA 0.865 56.968 56.048 0.091 0.000 1.309 7 H CB 0.814 30.614 29.762 0.064 0.000 1.392 7 H HN 0.547 nan 8.280 nan 0.000 0.554 8 I N -0.724 119.965 120.570 0.198 0.000 2.726 8 I HA 0.195 4.364 4.170 -0.001 0.000 0.243 8 I C 1.194 177.416 176.117 0.175 0.000 1.082 8 I CA 0.649 62.051 61.300 0.170 0.000 1.447 8 I CB 0.573 38.640 38.000 0.112 0.000 1.250 8 I HN 0.213 nan 8.210 nan 0.000 0.453 9 G N -1.218 107.606 108.800 0.041 0.000 2.320 9 G HA2 0.391 4.350 3.960 -0.001 0.000 0.296 9 G HA3 0.391 4.350 3.960 -0.001 0.000 0.296 9 G C -2.158 172.626 174.900 -0.194 0.000 1.306 9 G CA -0.630 44.518 45.100 0.080 0.000 0.836 9 G HN -0.064 nan 8.290 nan 0.000 0.517 10 Y N 0.003 120.422 120.300 0.199 0.000 2.536 10 Y HA 0.552 5.102 4.550 -0.001 0.000 0.347 10 Y C 0.201 176.173 175.900 0.121 0.000 1.000 10 Y CA -0.976 57.190 58.100 0.109 0.000 1.051 10 Y CB 1.922 40.397 38.460 0.025 0.000 1.259 10 Y HN 0.291 nan 8.280 nan 0.000 0.468 11 E N 2.163 122.505 120.200 0.237 0.000 2.366 11 E HA 0.036 4.386 4.350 -0.001 0.000 0.266 11 E C 0.977 177.661 176.600 0.140 0.000 1.015 11 E CA -0.015 56.473 56.400 0.147 0.000 0.906 11 E CB 0.892 30.653 29.700 0.101 0.000 0.979 11 E HN 0.675 nan 8.360 nan 0.000 0.443 12 R N 2.972 123.541 120.500 0.116 0.000 2.113 12 R HA -0.150 4.190 4.340 -0.001 0.000 0.244 12 R C 0.611 176.938 176.300 0.045 0.000 1.142 12 R CA 1.270 57.430 56.100 0.099 0.000 0.953 12 R CB 0.067 30.404 30.300 0.062 0.000 0.860 12 R HN 0.406 nan 8.270 nan 0.000 0.438 13 L N 0.914 122.148 121.223 0.017 0.000 2.603 13 L HA 0.429 4.768 4.340 -0.001 0.000 0.242 13 L C -0.124 176.761 176.870 0.025 0.000 1.169 13 L CA -0.570 54.272 54.840 0.003 0.000 1.029 13 L CB 1.468 43.514 42.059 -0.023 0.000 1.361 13 L HN 0.309 nan 8.230 nan 0.000 0.439 14 G N 0.678 109.498 108.800 0.033 0.000 2.576 14 G HA2 0.466 4.426 3.960 -0.001 0.000 0.290 14 G HA3 0.466 4.426 3.960 -0.001 0.000 0.290 14 G C -3.241 171.660 174.900 0.002 0.000 1.442 14 G CA -0.994 44.143 45.100 0.062 0.000 0.792 14 G HN -0.101 nan 8.290 nan 0.000 0.491 15 P HA 0.241 nan 4.420 nan 0.000 0.265 15 P C -0.812 176.377 177.300 -0.186 0.000 1.193 15 P CA 0.315 63.376 63.100 -0.063 0.000 0.765 15 P CB 0.465 32.173 31.700 0.012 0.000 0.823 16 K N 2.909 123.011 120.400 -0.495 0.000 2.502 16 K HA 0.406 4.725 4.320 -0.001 0.000 0.254 16 K C -0.420 175.572 176.600 -1.013 0.000 0.947 16 K CA -0.791 54.787 56.287 -1.182 0.000 0.834 16 K CB 2.267 33.544 32.500 -2.038 0.000 1.112 16 K HN 0.308 nan 8.250 nan 0.000 0.427 17 K N 2.014 122.080 120.400 -0.558 0.000 2.371 17 K HA 0.744 5.064 4.320 -0.001 0.000 0.251 17 K C -1.568 175.125 176.600 0.155 0.000 0.934 17 K CA -0.591 55.634 56.287 -0.104 0.000 0.798 17 K CB 1.899 34.407 32.500 0.013 0.000 1.204 17 K HN 0.664 nan 8.250 nan 0.000 0.427 18 A N 3.816 126.754 122.820 0.197 0.000 2.479 18 A HA 0.794 5.114 4.320 -0.001 0.000 0.296 18 A C -1.335 176.305 177.584 0.094 0.000 1.121 18 A CA -0.911 51.226 52.037 0.167 0.000 0.743 18 A CB 1.044 20.111 19.000 0.112 0.000 1.323 18 A HN 0.689 nan 8.150 nan 0.000 0.415 19 I N 0.879 121.504 120.570 0.091 0.000 2.571 19 I HA 0.329 4.499 4.170 -0.001 0.000 0.289 19 I C -1.045 175.162 176.117 0.151 0.000 1.115 19 I CA -0.212 61.124 61.300 0.061 0.000 1.045 19 I CB 2.049 39.947 38.000 -0.171 0.000 1.238 19 I HN 0.527 nan 8.210 nan 0.000 0.424 20 I N 5.485 126.171 120.570 0.194 0.000 2.365 20 I HA 0.280 4.450 4.170 -0.001 0.000 0.291 20 I C -0.055 176.224 176.117 0.270 0.000 1.004 20 I CA -0.228 61.187 61.300 0.191 0.000 1.311 20 I CB 1.119 39.181 38.000 0.104 0.000 1.401 20 I HN 0.558 nan 8.210 nan 0.000 0.491 21 Q N 5.826 125.744 119.800 0.197 0.000 2.341 21 Q HA 0.511 4.851 4.340 -0.001 0.000 0.268 21 Q C -0.941 175.079 176.000 0.033 0.000 1.013 21 Q CA -0.333 55.537 55.803 0.112 0.000 0.798 21 Q CB 1.831 30.708 28.738 0.231 0.000 1.253 21 Q HN 0.754 nan 8.270 nan 0.000 0.457 22 T N 1.389 115.944 114.554 0.001 0.000 2.792 22 T HA 0.265 4.614 4.350 -0.001 0.000 0.303 22 T C -0.185 174.560 174.700 0.075 0.000 1.310 22 T CA -0.412 61.707 62.100 0.033 0.000 1.007 22 T CB 1.657 70.543 68.868 0.030 0.000 1.335 22 T HN 0.695 nan 8.240 nan 0.000 0.504 23 E N 0.489 120.738 120.200 0.081 0.000 2.452 23 E HA 0.090 4.440 4.350 -0.001 0.000 0.197 23 E C 0.161 176.843 176.600 0.137 0.000 1.022 23 E CA -0.057 56.439 56.400 0.160 0.000 0.890 23 E CB 0.350 30.103 29.700 0.089 0.000 0.918 23 E HN 0.499 nan 8.360 nan 0.000 0.496 24 Q N 2.431 122.235 119.800 0.006 0.000 2.244 24 Q HA -0.002 4.337 4.340 -0.001 0.000 0.278 24 Q C -1.552 174.190 176.000 -0.431 0.000 1.093 24 Q CA -0.803 54.926 55.803 -0.125 0.000 0.916 24 Q CB 0.807 29.490 28.738 -0.092 0.000 1.159 24 Q HN 0.114 nan 8.270 nan 0.000 0.384 25 P HA -0.122 nan 4.420 nan 0.000 0.220 25 P C -0.085 176.787 177.300 -0.713 0.000 1.148 25 P CA 1.501 63.897 63.100 -1.174 0.000 0.803 25 P CB 0.525 31.906 31.700 -0.531 0.000 0.782 26 H N -1.745 117.258 119.070 -0.112 0.000 2.980 26 H HA 0.409 4.965 4.556 -0.001 0.000 0.367 26 H C -0.080 175.210 175.328 -0.064 0.000 1.206 26 H CA -0.881 55.216 56.048 0.081 0.000 1.126 26 H CB 1.618 31.443 29.762 0.106 0.000 1.838 26 H HN -0.138 nan 8.280 nan 0.000 0.552 27 L N 0.627 121.815 121.223 -0.058 0.000 2.358 27 L HA 0.202 4.542 4.340 -0.001 0.000 0.268 27 L C 1.448 178.232 176.870 -0.142 0.000 1.032 27 L CA -0.443 54.169 54.840 -0.380 0.000 0.805 27 L CB 1.529 42.999 42.059 -0.981 0.000 1.253 27 L HN 0.675 nan 8.230 nan 0.000 0.452 28 S N -1.369 114.240 115.700 -0.153 0.000 2.528 28 S HA 0.036 4.506 4.470 -0.001 0.000 0.219 28 S C 0.550 175.133 174.600 -0.028 0.000 0.985 28 S CA -0.019 58.153 58.200 -0.046 0.000 0.914 28 S CB 0.189 63.359 63.200 -0.051 0.000 0.776 28 S HN 0.559 nan 8.310 nan 0.000 0.526 29 S N -0.659 114.950 115.700 -0.153 0.000 2.537 29 S HA 0.601 5.071 4.470 -0.001 0.000 0.270 29 S C -1.816 172.631 174.600 -0.256 0.000 1.142 29 S CA -0.734 57.425 58.200 -0.068 0.000 0.870 29 S CB 0.912 64.080 63.200 -0.054 0.000 1.112 29 S HN 0.291 nan 8.310 nan 0.000 0.466 30 Y N 2.124 122.413 120.300 -0.019 0.000 2.669 30 Y HA 0.379 4.928 4.550 -0.001 0.000 0.302 30 Y C 0.356 176.265 175.900 0.016 0.000 1.000 30 Y CA -0.393 57.709 58.100 0.002 0.000 1.222 30 Y CB 1.190 39.670 38.460 0.034 0.000 1.209 30 Y HN 0.507 nan 8.280 nan 0.000 0.571 31 T N 0.939 115.532 114.554 0.064 0.000 2.916 31 T HA 0.777 5.127 4.350 -0.001 0.000 0.298 31 T C -0.705 174.003 174.700 0.013 0.000 1.031 31 T CA -0.716 61.414 62.100 0.050 0.000 0.993 31 T CB 1.633 70.520 68.868 0.033 0.000 1.045 31 T HN 0.222 nan 8.240 nan 0.000 0.454 32 A N 3.322 126.166 122.820 0.040 0.000 2.365 32 A HA 0.786 5.106 4.320 -0.001 0.000 0.318 32 A C -0.647 176.949 177.584 0.019 0.000 1.091 32 A CA -0.899 51.154 52.037 0.028 0.000 0.763 32 A CB 1.177 20.208 19.000 0.053 0.000 1.248 32 A HN 0.656 nan 8.150 nan 0.000 0.442 33 Q N 1.878 121.659 119.800 -0.032 0.000 2.316 33 Q HA 0.551 4.891 4.340 -0.001 0.000 0.264 33 Q C -1.503 174.412 176.000 -0.143 0.000 0.987 33 Q CA -0.851 54.902 55.803 -0.083 0.000 0.852 33 Q CB 1.968 30.646 28.738 -0.100 0.000 1.287 33 Q HN 0.515 nan 8.270 nan 0.000 0.448 34 L N 3.524 124.651 121.223 -0.160 0.000 2.265 34 L HA 0.448 4.787 4.340 -0.001 0.000 0.288 34 L C -1.017 175.641 176.870 -0.353 0.000 1.058 34 L CA -0.188 54.468 54.840 -0.306 0.000 0.809 34 L CB 0.453 42.291 42.059 -0.368 0.000 1.179 34 L HN 0.653 nan 8.230 nan 0.000 0.429 35 I N 5.118 125.365 120.570 -0.539 0.000 2.389 35 I HA 0.221 4.391 4.170 -0.001 0.000 0.288 35 I C -0.118 175.750 176.117 -0.415 0.000 0.999 35 I CA -0.685 60.277 61.300 -0.563 0.000 1.129 35 I CB 1.525 38.973 38.000 -0.921 0.000 1.288 35 I HN 0.608 nan 8.210 nan 0.000 0.444 36 C N 5.568 124.837 119.300 -0.050 0.000 2.590 36 C HA 0.206 4.666 4.460 -0.001 0.000 0.411 36 C C 1.827 176.800 174.990 -0.029 0.000 1.420 36 C CA 0.130 59.158 59.018 0.016 0.000 1.643 36 C CB -0.237 27.547 27.740 0.074 0.000 2.528 36 C HN 0.972 nan 8.230 nan 0.000 0.606 37 A N 4.844 127.648 122.820 -0.026 0.000 2.014 37 A HA 0.025 4.344 4.320 -0.001 0.000 0.218 37 A C 2.125 179.746 177.584 0.061 0.000 1.163 37 A CA 2.042 54.163 52.037 0.140 0.000 0.652 37 A CB -0.586 18.467 19.000 0.088 0.000 0.808 37 A HN 0.929 nan 8.150 nan 0.000 0.449 38 T N 0.132 114.682 114.554 -0.007 0.000 2.706 38 T HA -0.088 4.262 4.350 -0.001 0.000 0.255 38 T C 2.370 177.081 174.700 0.018 0.000 1.048 38 T CA 1.918 64.016 62.100 -0.003 0.000 1.153 38 T CB -0.340 68.514 68.868 -0.023 0.000 0.865 38 T HN 0.718 nan 8.240 nan 0.000 0.414 39 S N 0.806 116.517 115.700 0.018 0.000 2.489 39 S HA 0.001 4.471 4.470 -0.001 0.000 0.228 39 S C 0.844 175.465 174.600 0.034 0.000 0.995 39 S CA 0.651 58.867 58.200 0.025 0.000 0.934 39 S CB -0.316 62.900 63.200 0.027 0.000 0.771 39 S HN 0.563 nan 8.310 nan 0.000 0.522 40 E N -0.364 119.865 120.200 0.049 0.000 3.547 40 E HA -0.162 4.188 4.350 -0.001 0.000 0.300 40 E C -0.857 175.755 176.600 0.019 0.000 0.857 40 E CA 0.886 57.324 56.400 0.063 0.000 1.039 40 E CB -1.422 28.328 29.700 0.084 0.000 1.524 40 E HN 0.633 nan 8.360 nan 0.000 0.457 41 Q N 0.771 120.577 119.800 0.010 0.000 2.286 41 Q HA 0.199 4.539 4.340 -0.001 0.000 0.257 41 Q C 0.092 176.077 176.000 -0.025 0.000 0.941 41 Q CA 0.244 56.048 55.803 0.001 0.000 0.912 41 Q CB 0.928 29.678 28.738 0.021 0.000 1.192 41 Q HN -0.043 nan 8.270 nan 0.000 0.410 42 T N 1.979 116.506 114.554 -0.046 0.000 2.829 42 T HA 0.099 4.449 4.350 -0.001 0.000 0.293 42 T C 1.417 176.095 174.700 -0.038 0.000 0.970 42 T CA -0.030 62.024 62.100 -0.077 0.000 1.168 42 T CB 0.229 69.049 68.868 -0.079 0.000 0.911 42 T HN 0.530 nan 8.240 nan 0.000 0.535 43 V N 0.954 120.845 119.914 -0.039 0.000 3.431 43 V HA 0.738 4.857 4.120 -0.001 0.000 0.253 43 V C 0.587 176.708 176.094 0.043 0.000 1.184 43 V CA 0.524 62.856 62.300 0.053 0.000 1.104 43 V CB -0.582 31.348 31.823 0.178 0.000 0.799 43 V HN 0.952 nan 8.190 nan 0.000 0.462 44 A N -0.943 121.820 122.820 -0.094 0.000 2.586 44 A HA 0.759 5.079 4.320 -0.001 0.000 0.290 44 A C -0.617 176.733 177.584 -0.390 0.000 1.086 44 A CA -0.140 51.771 52.037 -0.211 0.000 0.665 44 A CB 1.371 20.308 19.000 -0.105 0.000 1.279 44 A HN 0.115 nan 8.150 nan 0.000 0.423 45 T N 0.685 114.826 114.554 -0.688 0.000 2.886 45 T HA 0.735 5.085 4.350 -0.001 0.000 0.292 45 T C -1.529 172.660 174.700 -0.852 0.000 1.012 45 T CA 0.048 61.828 62.100 -0.533 0.000 0.982 45 T CB 0.435 69.143 68.868 -0.267 0.000 1.018 45 T HN 0.429 nan 8.240 nan 0.000 0.451 46 F N 1.006 120.946 119.950 -0.017 0.000 2.613 46 F HA 0.749 5.276 4.527 -0.001 0.000 0.314 46 F C 0.388 176.207 175.800 0.033 0.000 1.075 46 F CA -1.250 56.761 58.000 0.018 0.000 0.945 46 F CB 1.374 40.390 39.000 0.027 0.000 1.310 46 F HN 0.632 nan 8.300 nan 0.000 0.467 47 A N 0.912 123.888 122.820 0.259 0.000 2.322 47 A HA 0.707 5.027 4.320 -0.001 0.000 0.269 47 A C -0.963 176.741 177.584 0.200 0.000 1.094 47 A CA -0.463 51.688 52.037 0.189 0.000 0.807 47 A CB 0.562 19.658 19.000 0.160 0.000 1.047 47 A HN 0.548 nan 8.150 nan 0.000 0.487 48 V N 2.270 122.311 119.914 0.212 0.000 2.409 48 V HA 0.318 4.437 4.120 -0.001 0.000 0.291 48 V C -0.315 175.981 176.094 0.336 0.000 1.020 48 V CA -0.416 62.020 62.300 0.227 0.000 0.848 48 V CB 1.264 33.164 31.823 0.130 0.000 0.990 48 V HN 0.984 nan 8.190 nan 0.000 0.430 49 E N 3.566 123.937 120.200 0.285 0.000 2.166 49 E HA 0.414 4.764 4.350 -0.001 0.000 0.275 49 E C -0.643 176.127 176.600 0.285 0.000 0.941 49 E CA -0.652 55.902 56.400 0.256 0.000 0.784 49 E CB 2.016 31.804 29.700 0.148 0.000 1.115 49 E HN 0.632 nan 8.360 nan 0.000 0.399 50 E N 1.992 122.358 120.200 0.277 0.000 2.398 50 E HA -0.029 4.321 4.350 -0.001 0.000 0.263 50 E C 0.388 176.974 176.600 -0.024 0.000 1.046 50 E CA 0.227 56.684 56.400 0.095 0.000 0.908 50 E CB 0.828 30.603 29.700 0.126 0.000 0.963 50 E HN 0.488 nan 8.360 nan 0.000 0.431 51 Q N 0.602 120.317 119.800 -0.142 0.000 2.360 51 Q HA 0.161 4.501 4.340 -0.001 0.000 0.261 51 Q C 0.983 176.950 176.000 -0.056 0.000 0.802 51 Q CA 0.682 56.447 55.803 -0.064 0.000 0.983 51 Q CB 1.553 30.271 28.738 -0.033 0.000 1.211 51 Q HN 0.840 nan 8.270 nan 0.000 0.523 52 G N 2.307 111.050 108.800 -0.095 0.000 2.554 52 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.253 52 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.253 52 G C -0.484 174.385 174.900 -0.051 0.000 1.172 52 G CA -0.137 44.958 45.100 -0.010 0.000 0.950 52 G HN 0.106 nan 8.290 nan 0.000 0.557 53 K N -0.353 119.992 120.400 -0.092 0.000 2.259 53 K HA 0.655 4.975 4.320 -0.001 0.000 0.249 53 K C -0.687 175.866 176.600 -0.078 0.000 0.942 53 K CA -0.752 55.467 56.287 -0.114 0.000 0.816 53 K CB 2.770 35.127 32.500 -0.237 0.000 1.155 53 K HN 0.397 nan 8.250 nan 0.000 0.428 54 V N 2.914 122.767 119.914 -0.102 0.000 2.398 54 V HA 0.318 4.437 4.120 -0.001 0.000 0.286 54 V C 0.815 176.610 176.094 -0.498 0.000 1.026 54 V CA 0.167 62.205 62.300 -0.437 0.000 0.868 54 V CB 0.529 31.750 31.823 -1.003 0.000 0.982 54 V HN 1.140 nan 8.190 nan 0.000 0.443 55 A N 5.388 128.010 122.820 -0.331 0.000 5.213 55 A HA -0.375 3.945 4.320 -0.001 0.000 0.347 55 A C 1.102 178.664 177.584 -0.036 0.000 1.682 55 A CA 2.586 54.536 52.037 -0.144 0.000 0.701 55 A CB -1.416 17.506 19.000 -0.130 0.000 1.474 55 A HN 0.961 nan 8.150 nan 0.000 0.405 56 N N -2.033 116.726 118.700 0.099 0.000 2.365 56 N HA 0.272 5.012 4.740 -0.001 0.000 0.257 56 N C -0.963 174.728 175.510 0.301 0.000 1.287 56 N CA -0.322 52.823 53.050 0.158 0.000 0.882 56 N CB 0.222 38.793 38.487 0.139 0.000 1.250 56 N HN 0.544 nan 8.380 nan 0.000 0.507 57 W N 1.761 123.075 121.300 0.023 0.000 2.264 57 W HA 0.077 4.737 4.660 -0.001 0.000 0.331 57 W C 1.812 178.324 176.519 -0.011 0.000 1.364 57 W CA -0.392 56.954 57.345 0.001 0.000 1.253 57 W CB -0.016 29.436 29.460 -0.013 0.000 1.215 57 W HN 0.289 nan 8.180 nan 0.000 0.561 58 H N 0.563 119.748 119.070 0.191 0.000 2.547 58 H HA 0.019 4.575 4.556 -0.001 0.000 0.266 58 H C 0.759 176.106 175.328 0.032 0.000 0.988 58 H CA 0.667 56.760 56.048 0.075 0.000 1.147 58 H CB -0.012 29.769 29.762 0.032 0.000 1.365 58 H HN 0.391 nan 8.280 nan 0.000 0.589 59 Q N 0.933 120.647 119.800 -0.144 0.000 2.472 59 Q HA 0.187 4.526 4.340 -0.001 0.000 0.208 59 Q C 1.267 177.160 176.000 -0.178 0.000 0.958 59 Q CA 0.809 56.538 55.803 -0.123 0.000 0.932 59 Q CB 0.539 29.236 28.738 -0.069 0.000 1.007 59 Q HN 0.799 nan 8.270 nan 0.000 0.508 60 G N -0.783 107.889 108.800 -0.214 0.000 2.754 60 G HA2 -0.284 3.676 3.960 -0.001 0.000 0.241 60 G HA3 -0.284 3.676 3.960 -0.001 0.000 0.241 60 G C -0.893 173.585 174.900 -0.705 0.000 1.281 60 G CA -0.374 44.506 45.100 -0.366 0.000 0.971 60 G HN 0.171 nan 8.290 nan 0.000 0.569 61 Y N 0.375 120.345 120.300 -0.549 0.000 2.409 61 Y HA 0.741 5.291 4.550 -0.001 0.000 0.339 61 Y C 0.023 175.447 175.900 -0.794 0.000 1.033 61 Y CA -0.553 57.220 58.100 -0.545 0.000 1.094 61 Y CB 1.609 39.914 38.460 -0.258 0.000 1.210 61 Y HN 0.420 nan 8.280 nan 0.000 0.456 62 F N 1.641 121.530 119.950 -0.103 0.000 2.532 62 F HA 0.588 5.115 4.527 -0.001 0.000 0.321 62 F C -1.151 174.433 175.800 -0.360 0.000 1.089 62 F CA -1.441 56.491 58.000 -0.112 0.000 0.926 62 F CB 1.356 40.291 39.000 -0.108 0.000 1.168 62 F HN 0.282 nan 8.300 nan 0.000 0.459 63 Y N 2.268 122.668 120.300 0.167 0.000 2.442 63 Y HA 0.589 5.139 4.550 -0.001 0.000 0.344 63 Y C -0.969 174.969 175.900 0.064 0.000 0.976 63 Y CA -1.104 57.055 58.100 0.098 0.000 1.040 63 Y CB 2.030 40.517 38.460 0.046 0.000 1.228 63 Y HN 0.461 nan 8.280 nan 0.000 0.451 64 L N 4.825 126.158 121.223 0.184 0.000 2.295 64 L HA 0.688 5.028 4.340 -0.001 0.000 0.285 64 L C -1.246 175.696 176.870 0.120 0.000 1.035 64 L CA -0.436 54.465 54.840 0.100 0.000 0.806 64 L CB 0.602 42.693 42.059 0.052 0.000 1.214 64 L HN 0.542 nan 8.230 nan 0.000 0.426 65 I N 4.566 125.195 120.570 0.097 0.000 2.382 65 I HA 0.316 4.485 4.170 -0.001 0.000 0.286 65 I C -0.937 175.233 176.117 0.088 0.000 1.002 65 I CA -0.521 60.839 61.300 0.101 0.000 1.135 65 I CB 1.597 39.640 38.000 0.072 0.000 1.288 65 I HN 0.517 nan 8.210 nan 0.000 0.448 66 D N 7.312 127.746 120.400 0.056 0.000 2.454 66 D HA 0.205 4.845 4.640 -0.001 0.000 0.225 66 D C -0.175 176.040 176.300 -0.142 0.000 1.081 66 D CA -0.492 53.490 54.000 -0.031 0.000 0.864 66 D CB 0.693 41.491 40.800 -0.002 0.000 1.040 66 D HN 0.421 nan 8.370 nan 0.000 0.517 67 F N 1.414 121.022 119.950 -0.570 0.000 2.850 67 F HA 0.344 4.871 4.527 -0.001 0.000 0.306 67 F C 1.176 176.698 175.800 -0.462 0.000 1.162 67 F CA -0.728 56.651 58.000 -1.034 0.000 1.327 67 F CB 0.041 38.027 39.000 -1.691 0.000 0.953 67 F HN 0.039 nan 8.300 nan 0.000 0.507 68 S N 0.402 115.872 115.700 -0.383 0.000 2.399 68 S HA -0.234 4.236 4.470 -0.001 0.000 0.231 68 S C 2.228 176.796 174.600 -0.053 0.000 1.022 68 S CA 1.639 59.685 58.200 -0.257 0.000 0.983 68 S CB -0.441 62.665 63.200 -0.158 0.000 0.803 68 S HN 0.714 nan 8.310 nan 0.000 0.480 69 S N 0.929 116.673 115.700 0.074 0.000 2.447 69 S HA 0.020 4.489 4.470 -0.001 0.000 0.233 69 S C 0.471 175.191 174.600 0.200 0.000 1.006 69 S CA 0.006 58.296 58.200 0.149 0.000 0.957 69 S CB -0.663 62.665 63.200 0.214 0.000 0.773 69 S HN 0.371 nan 8.310 nan 0.000 0.507 70 F N 4.062 124.100 119.950 0.147 0.000 2.543 70 F HA 0.344 4.870 4.527 -0.001 0.000 0.375 70 F C 1.107 176.943 175.800 0.059 0.000 1.075 70 F CA 0.675 58.768 58.000 0.154 0.000 1.225 70 F CB 0.863 40.011 39.000 0.248 0.000 1.099 70 F HN 0.200 nan 8.300 nan 0.000 0.561 71 T N 0.625 114.912 114.554 -0.446 0.000 3.442 71 T HA 0.277 4.627 4.350 -0.001 0.000 0.295 71 T C -0.689 173.823 174.700 -0.314 0.000 1.007 71 T CA -0.674 61.282 62.100 -0.240 0.000 0.962 71 T CB -0.476 68.317 68.868 -0.125 0.000 1.187 71 T HN 0.371 nan 8.240 nan 0.000 0.490 72 D N 1.847 121.869 120.400 -0.630 0.000 2.217 72 D HA 0.431 5.070 4.640 -0.001 0.000 0.243 72 D C -0.176 176.258 176.300 0.224 0.000 1.054 72 D CA -0.217 53.634 54.000 -0.249 0.000 0.838 72 D CB 2.115 42.703 40.800 -0.353 0.000 1.162 72 D HN 0.170 nan 8.370 nan 0.000 0.472 73 S N 0.467 116.297 115.700 0.215 0.000 2.572 73 S HA 0.593 5.062 4.470 -0.001 0.000 0.279 73 S C 0.621 175.421 174.600 0.333 0.000 1.341 73 S CA 0.143 58.511 58.200 0.279 0.000 1.043 73 S CB 1.007 64.297 63.200 0.150 0.000 0.887 73 S HN 0.730 nan 8.310 nan 0.000 0.516 74 G N 2.444 111.397 108.800 0.254 0.000 2.357 74 G HA2 0.194 4.154 3.960 -0.001 0.000 0.289 74 G HA3 0.194 4.154 3.960 -0.001 0.000 0.289 74 G C -2.405 172.309 174.900 -0.309 0.000 1.302 74 G CA -1.020 44.031 45.100 -0.081 0.000 0.936 74 G HN 0.552 nan 8.290 nan 0.000 0.513 75 D N 0.262 120.336 120.400 -0.544 0.000 2.233 75 D HA 0.697 5.336 4.640 -0.001 0.000 0.240 75 D C -0.648 175.205 176.300 -0.745 0.000 1.074 75 D CA 0.311 54.048 54.000 -0.438 0.000 0.838 75 D CB 1.068 41.754 40.800 -0.190 0.000 1.124 75 D HN 0.393 nan 8.370 nan 0.000 0.475 76 Y N 0.964 121.075 120.300 -0.315 0.000 2.665 76 Y HA 0.660 5.209 4.550 -0.001 0.000 0.336 76 Y C -0.331 175.123 175.900 -0.744 0.000 1.085 76 Y CA -1.389 56.420 58.100 -0.485 0.000 1.096 76 Y CB 1.215 39.380 38.460 -0.491 0.000 1.301 76 Y HN 0.343 nan 8.280 nan 0.000 0.493 77 F N -1.441 118.259 119.950 -0.417 0.000 2.692 77 F HA 0.876 5.402 4.527 -0.001 0.000 0.320 77 F C -2.228 173.509 175.800 -0.105 0.000 1.123 77 F CA -1.542 56.260 58.000 -0.330 0.000 0.961 77 F CB 1.123 40.030 39.000 -0.156 0.000 1.383 77 F HN 0.239 nan 8.300 nan 0.000 0.483 78 L N 1.561 122.911 121.223 0.210 0.000 2.334 78 L HA 0.615 4.954 4.340 -0.001 0.000 0.276 78 L C -1.004 175.955 176.870 0.147 0.000 1.014 78 L CA -0.751 54.110 54.840 0.035 0.000 0.815 78 L CB 2.015 44.068 42.059 -0.010 0.000 1.268 78 L HN 0.744 nan 8.230 nan 0.000 0.428 79 Q N 1.866 121.684 119.800 0.031 0.000 2.321 79 Q HA 0.627 4.966 4.340 -0.001 0.000 0.270 79 Q C -1.811 174.195 176.000 0.010 0.000 1.032 79 Q CA -0.435 55.410 55.803 0.070 0.000 0.784 79 Q CB 2.259 31.041 28.738 0.074 0.000 1.264 79 Q HN 0.373 nan 8.270 nan 0.000 0.448 80 V N 5.172 125.087 119.914 0.003 0.000 2.443 80 V HA 0.328 4.448 4.120 -0.001 0.000 0.293 80 V C 0.283 176.350 176.094 -0.045 0.000 1.021 80 V CA -0.525 61.750 62.300 -0.040 0.000 0.848 80 V CB 1.300 33.075 31.823 -0.080 0.000 0.998 80 V HN 1.018 nan 8.190 nan 0.000 0.424 81 E N 3.365 123.537 120.200 -0.045 0.000 3.498 81 E HA -0.383 3.967 4.350 -0.001 0.000 0.442 81 E C 1.233 177.816 176.600 -0.028 0.000 1.565 81 E CA 2.664 59.037 56.400 -0.045 0.000 1.284 81 E CB -0.606 29.049 29.700 -0.075 0.000 1.343 81 E HN 1.089 nan 8.360 nan 0.000 0.403 82 D N 0.585 120.961 120.400 -0.039 0.000 2.149 82 D HA 0.082 4.722 4.640 -0.001 0.000 0.206 82 D C 1.003 177.293 176.300 -0.016 0.000 0.967 82 D CA 0.787 54.771 54.000 -0.028 0.000 0.848 82 D CB -0.156 40.622 40.800 -0.037 0.000 0.998 82 D HN 0.090 nan 8.370 nan 0.000 0.474 83 S N -0.288 115.399 115.700 -0.021 0.000 2.565 83 S HA 0.309 4.779 4.470 -0.001 0.000 0.276 83 S C -0.252 174.366 174.600 0.029 0.000 1.326 83 S CA -0.687 57.511 58.200 -0.004 0.000 1.045 83 S CB 0.512 63.703 63.200 -0.014 0.000 0.918 83 S HN 0.158 nan 8.310 nan 0.000 0.505 84 R N 1.859 122.383 120.500 0.040 0.000 2.621 84 R HA 0.366 4.706 4.340 -0.001 0.000 0.284 84 R C -0.713 175.635 176.300 0.079 0.000 0.998 84 R CA -0.445 55.704 56.100 0.082 0.000 0.895 84 R CB 1.827 32.136 30.300 0.013 0.000 1.195 84 R HN 0.771 nan 8.270 nan 0.000 0.450 85 S N 1.813 117.615 115.700 0.169 0.000 2.646 85 S HA 0.325 4.795 4.470 -0.001 0.000 0.276 85 S C 0.158 174.826 174.600 0.114 0.000 1.222 85 S CA -0.487 57.817 58.200 0.173 0.000 1.014 85 S CB 1.240 64.617 63.200 0.295 0.000 0.991 85 S HN 0.648 nan 8.310 nan 0.000 0.533 86 S N 1.674 117.419 115.700 0.075 0.000 2.584 86 S HA 0.342 4.811 4.470 -0.001 0.000 0.270 86 S C 0.426 175.107 174.600 0.137 0.000 1.346 86 S CA -0.202 58.006 58.200 0.013 0.000 1.018 86 S CB -0.294 62.865 63.200 -0.068 0.000 0.899 86 S HN 1.197 nan 8.310 nan 0.000 0.542 87 T N 0.445 115.022 114.554 0.038 0.000 2.869 87 T HA 0.557 4.906 4.350 -0.001 0.000 0.295 87 T C -0.301 174.466 174.700 0.111 0.000 0.987 87 T CA -0.810 61.298 62.100 0.014 0.000 1.109 87 T CB -0.408 68.443 68.868 -0.028 0.000 0.932 87 T HN 0.686 nan 8.240 nan 0.000 0.518 88 F N -0.471 119.615 119.950 0.227 0.000 2.611 88 F HA 0.807 5.334 4.527 -0.001 0.000 0.324 88 F C -0.233 175.728 175.800 0.268 0.000 1.061 88 F CA -1.354 56.793 58.000 0.245 0.000 0.954 88 F CB 0.810 40.016 39.000 0.343 0.000 1.301 88 F HN 0.498 nan 8.300 nan 0.000 0.482 89 T N 1.331 116.178 114.554 0.490 0.000 2.902 89 T HA 0.638 4.988 4.350 -0.001 0.000 0.283 89 T C -0.776 174.260 174.700 0.559 0.000 1.009 89 T CA -0.638 61.690 62.100 0.380 0.000 1.051 89 T CB 1.780 70.797 68.868 0.249 0.000 0.999 89 T HN 0.546 nan 8.240 nan 0.000 0.474 90 V N 1.975 122.211 119.914 0.536 0.000 2.409 90 V HA 0.876 4.996 4.120 -0.001 0.000 0.291 90 V C 0.488 176.792 176.094 0.349 0.000 1.020 90 V CA -0.309 62.314 62.300 0.539 0.000 0.848 90 V CB 1.179 33.432 31.823 0.716 0.000 0.990 90 V HN 1.190 nan 8.190 nan 0.000 0.430 91 G N 3.628 112.579 108.800 0.251 0.000 2.488 91 G HA2 0.582 4.541 3.960 -0.001 0.000 0.301 91 G HA3 0.582 4.541 3.960 -0.001 0.000 0.301 91 G C -1.687 173.257 174.900 0.074 0.000 1.339 91 G CA -0.698 44.493 45.100 0.152 0.000 0.803 91 G HN 0.522 nan 8.290 nan 0.000 0.482 92 E N -0.136 120.065 120.200 0.000 0.000 2.283 92 E HA 0.504 4.853 4.350 -0.001 0.000 0.278 92 E C -0.276 176.266 176.600 -0.098 0.000 1.027 92 E CA -0.247 56.055 56.400 -0.163 0.000 0.843 92 E CB 0.569 30.103 29.700 -0.276 0.000 1.062 92 E HN 0.670 nan 8.360 nan 0.000 0.401 93 H N 0.793 119.885 119.070 0.036 0.000 2.862 93 H HA -0.226 4.330 4.556 -0.001 0.000 0.290 93 H C 0.995 176.345 175.328 0.036 0.000 1.211 93 H CA 0.094 56.154 56.048 0.019 0.000 1.140 93 H CB -1.160 28.606 29.762 0.007 0.000 1.341 93 H HN 0.501 nan 8.280 nan 0.000 0.392 94 I N 0.587 121.239 120.570 0.136 0.000 2.127 94 I HA -0.251 3.919 4.170 -0.001 0.000 0.241 94 I C 2.069 178.248 176.117 0.104 0.000 1.075 94 I CA 1.793 63.168 61.300 0.125 0.000 1.334 94 I CB -0.173 37.909 38.000 0.137 0.000 1.040 94 I HN 0.437 nan 8.210 nan 0.000 0.405 95 L N -0.905 120.368 121.223 0.083 0.000 2.141 95 L HA -0.178 4.162 4.340 -0.001 0.000 0.209 95 L C 2.418 179.312 176.870 0.040 0.000 1.094 95 L CA 0.733 55.612 54.840 0.065 0.000 0.763 95 L CB -0.782 41.312 42.059 0.057 0.000 0.908 95 L HN 0.322 nan 8.230 nan 0.000 0.437 96 L N 0.386 121.627 121.223 0.029 0.000 1.955 96 L HA -0.232 4.108 4.340 -0.001 0.000 0.213 96 L C 2.360 179.256 176.870 0.042 0.000 1.072 96 L CA 1.852 56.697 54.840 0.008 0.000 0.755 96 L CB -0.705 41.343 42.059 -0.018 0.000 0.888 96 L HN 0.219 nan 8.230 nan 0.000 0.432 97 N N -0.529 118.216 118.700 0.075 0.000 2.037 97 N HA -0.223 4.517 4.740 -0.001 0.000 0.196 97 N C 1.822 177.390 175.510 0.098 0.000 1.034 97 N CA 1.600 54.703 53.050 0.088 0.000 0.861 97 N CB -0.349 38.205 38.487 0.110 0.000 1.039 97 N HN 0.465 nan 8.380 nan 0.000 0.427 98 Q N -0.906 118.953 119.800 0.099 0.000 2.245 98 Q HA 0.032 4.372 4.340 -0.001 0.000 0.201 98 Q C 1.559 177.616 176.000 0.095 0.000 0.955 98 Q CA 1.424 57.298 55.803 0.119 0.000 0.870 98 Q CB 0.112 28.916 28.738 0.110 0.000 0.945 98 Q HN 0.672 nan 8.270 nan 0.000 0.461 99 T N -3.548 111.030 114.554 0.040 0.000 2.969 99 T HA 0.071 4.421 4.350 -0.001 0.000 0.258 99 T C 1.617 176.392 174.700 0.126 0.000 0.962 99 T CA -0.068 62.031 62.100 -0.002 0.000 0.903 99 T CB -0.153 68.661 68.868 -0.089 0.000 1.177 99 T HN 0.033 nan 8.240 nan 0.000 0.511 100 L N 2.410 123.694 121.223 0.102 0.000 1.994 100 L HA 0.139 4.479 4.340 -0.001 0.000 0.208 100 L C 2.615 179.540 176.870 0.092 0.000 1.071 100 L CA 2.334 57.228 54.840 0.090 0.000 0.745 100 L CB -1.159 40.918 42.059 0.029 0.000 0.892 100 L HN 0.379 nan 8.230 nan 0.000 0.431 101 S N -0.824 114.921 115.700 0.075 0.000 2.387 101 S HA -0.225 4.244 4.470 -0.001 0.000 0.230 101 S C 1.727 176.361 174.600 0.057 0.000 1.035 101 S CA 1.659 59.872 58.200 0.022 0.000 1.014 101 S CB -0.563 62.674 63.200 0.062 0.000 0.836 101 S HN 0.634 nan 8.310 nan 0.000 0.466 102 D N 0.580 121.097 120.400 0.195 0.000 2.144 102 D HA -0.054 4.586 4.640 -0.001 0.000 0.200 102 D C 2.085 178.534 176.300 0.248 0.000 0.978 102 D CA 1.122 55.287 54.000 0.275 0.000 0.833 102 D CB -0.438 40.567 40.800 0.342 0.000 0.961 102 D HN 0.357 nan 8.370 nan 0.000 0.470 103 V N 1.443 121.488 119.914 0.218 0.000 2.358 103 V HA -0.189 3.931 4.120 -0.001 0.000 0.246 103 V C 2.551 178.848 176.094 0.338 0.000 1.047 103 V CA 0.939 63.394 62.300 0.258 0.000 1.035 103 V CB -0.362 31.640 31.823 0.299 0.000 0.658 103 V HN 0.160 nan 8.190 nan 0.000 0.452 104 I N -0.152 120.554 120.570 0.227 0.000 2.163 104 I HA -0.308 3.861 4.170 -0.001 0.000 0.243 104 I C 2.472 178.690 176.117 0.169 0.000 1.085 104 I CA 2.094 63.495 61.300 0.169 0.000 1.347 104 I CB -0.680 37.307 38.000 -0.022 0.000 1.044 104 I HN 0.368 nan 8.210 nan 0.000 0.408 105 H N -0.949 118.223 119.070 0.170 0.000 2.422 105 H HA -0.258 4.298 4.556 -0.001 0.000 0.298 105 H C 2.116 177.524 175.328 0.134 0.000 1.098 105 H CA 1.778 57.909 56.048 0.138 0.000 1.315 105 H CB -0.122 29.719 29.762 0.132 0.000 1.382 105 H HN 0.411 nan 8.280 nan 0.000 0.523 106 Y N 0.462 120.836 120.300 0.124 0.000 2.145 106 Y HA -0.262 4.288 4.550 -0.001 0.000 0.286 106 Y C 1.627 177.459 175.900 -0.113 0.000 1.145 106 Y CA 1.282 59.360 58.100 -0.037 0.000 1.148 106 Y CB -0.696 37.661 38.460 -0.172 0.000 0.981 106 Y HN 0.029 nan 8.280 nan 0.000 0.507 107 F N 0.977 120.743 119.950 -0.306 0.000 2.102 107 F HA -0.097 4.429 4.527 -0.001 0.000 0.298 107 F C 2.619 178.354 175.800 -0.108 0.000 1.105 107 F CA 2.058 59.766 58.000 -0.488 0.000 1.239 107 F CB -0.775 37.933 39.000 -0.486 0.000 0.991 107 F HN -0.021 nan 8.300 nan 0.000 0.474 108 K N 0.404 120.907 120.400 0.170 0.000 2.103 108 K HA -0.188 4.132 4.320 -0.001 0.000 0.207 108 K C 2.188 178.820 176.600 0.052 0.000 1.048 108 K CA 1.641 57.989 56.287 0.102 0.000 0.930 108 K CB -0.254 32.314 32.500 0.114 0.000 0.716 108 K HN 0.310 nan 8.250 nan 0.000 0.444 109 S N -0.210 115.529 115.700 0.065 0.000 2.507 109 S HA -0.071 4.399 4.470 -0.001 0.000 0.235 109 S C 1.401 176.051 174.600 0.084 0.000 0.988 109 S CA 0.607 58.850 58.200 0.073 0.000 0.944 109 S CB 0.100 63.361 63.200 0.102 0.000 0.762 109 S HN 0.267 nan 8.310 nan 0.000 0.526 110 Q N 0.581 120.406 119.800 0.043 0.000 2.247 110 Q HA 0.308 4.648 4.340 -0.001 0.000 0.211 110 Q C -0.042 175.984 176.000 0.043 0.000 0.861 110 Q CA -0.039 55.824 55.803 0.100 0.000 0.949 110 Q CB 0.242 28.951 28.738 -0.048 0.000 1.115 110 Q HN 0.608 nan 8.270 nan 0.000 0.507 111 R N 0.180 120.690 120.500 0.017 0.000 2.585 111 R HA 0.021 4.361 4.340 -0.001 0.000 0.275 111 R C 0.190 176.231 176.300 -0.431 0.000 1.018 111 R CA -0.018 55.941 56.100 -0.234 0.000 1.072 111 R CB 0.363 30.373 30.300 -0.483 0.000 0.953 111 R HN 0.106 nan 8.270 nan 0.000 0.419 112 C N 2.963 121.956 119.300 -0.511 0.000 2.642 112 C HA 0.426 4.885 4.460 -0.001 0.000 0.420 112 C C 0.964 175.920 174.990 -0.057 0.000 1.349 112 C CA 0.530 59.214 59.018 -0.557 0.000 1.821 112 C CB -0.956 26.613 27.740 -0.283 0.000 2.637 112 C HN 0.892 nan 8.230 nan 0.000 0.605 113 G N 3.121 112.039 108.800 0.196 0.000 2.749 113 G HA2 0.686 4.646 3.960 -0.001 0.000 0.300 113 G HA3 0.686 4.646 3.960 -0.001 0.000 0.300 113 G C 0.195 175.284 174.900 0.314 0.000 1.352 113 G CA 0.225 45.468 45.100 0.238 0.000 0.789 113 G HN 1.886 nan 8.290 nan 0.000 0.509 114 G N -1.155 107.757 108.800 0.185 0.000 2.652 114 G HA2 -0.159 3.801 3.960 -0.001 0.000 0.318 114 G HA3 -0.159 3.801 3.960 -0.001 0.000 0.318 114 G C 1.629 176.539 174.900 0.017 0.000 1.295 114 G CA 2.563 47.723 45.100 0.100 0.000 0.999 114 G HN 2.083 nan 8.290 nan 0.000 0.548 115 V N -2.270 117.549 119.914 -0.158 0.000 2.515 115 V HA 0.105 4.225 4.120 -0.001 0.000 0.250 115 V C 2.554 178.492 176.094 -0.260 0.000 1.058 115 V CA 2.776 64.903 62.300 -0.289 0.000 1.064 115 V CB -0.963 30.575 31.823 -0.475 0.000 0.675 115 V HN 0.566 nan 8.190 nan 0.000 0.461 116 F N 1.412 121.431 119.950 0.116 0.000 2.113 116 F HA 0.030 4.556 4.527 -0.001 0.000 0.297 116 F C 2.286 178.166 175.800 0.134 0.000 1.103 116 F CA 1.877 59.961 58.000 0.140 0.000 1.248 116 F CB -0.975 38.171 39.000 0.244 0.000 0.999 116 F HN 0.200 nan 8.300 nan 0.000 0.475 117 D N -0.273 120.311 120.400 0.308 0.000 2.144 117 D HA -0.138 4.501 4.640 -0.001 0.000 0.200 117 D C 2.146 178.519 176.300 0.122 0.000 0.978 117 D CA 1.043 55.168 54.000 0.208 0.000 0.833 117 D CB -0.137 40.775 40.800 0.186 0.000 0.961 117 D HN 0.279 nan 8.370 nan 0.000 0.470 118 Q N -0.427 119.411 119.800 0.063 0.000 2.061 118 Q HA -0.248 4.091 4.340 -0.001 0.000 0.204 118 Q C 2.045 178.055 176.000 0.016 0.000 0.984 118 Q CA 1.545 57.353 55.803 0.008 0.000 0.846 118 Q CB -0.131 28.594 28.738 -0.022 0.000 0.902 118 Q HN 0.179 nan 8.270 nan 0.000 0.421 119 Q N 0.923 120.739 119.800 0.026 0.000 2.170 119 Q HA -0.172 4.167 4.340 -0.001 0.000 0.203 119 Q C 0.865 176.896 176.000 0.053 0.000 0.976 119 Q CA 1.553 57.372 55.803 0.027 0.000 0.858 119 Q CB -0.066 28.690 28.738 0.030 0.000 0.907 119 Q HN 0.288 nan 8.270 nan 0.000 0.433 120 D N -0.636 119.824 120.400 0.100 0.000 2.348 120 D HA -0.055 4.584 4.640 -0.001 0.000 0.216 120 D C 1.011 177.385 176.300 0.123 0.000 0.970 120 D CA 0.456 54.529 54.000 0.123 0.000 0.889 120 D CB 0.014 40.924 40.800 0.183 0.000 0.912 120 D HN 0.346 nan 8.370 nan 0.000 0.524 121 R N -0.063 120.493 120.500 0.093 0.000 2.313 121 R HA 0.129 4.468 4.340 -0.001 0.000 0.199 121 R C 0.497 176.819 176.300 0.037 0.000 0.958 121 R CA 0.451 56.598 56.100 0.078 0.000 1.047 121 R CB 0.387 30.685 30.300 -0.003 0.000 0.955 121 R HN 0.077 nan 8.270 nan 0.000 0.481 122 Q N 0.796 120.606 119.800 0.018 0.000 3.449 122 Q HA 0.175 4.514 4.340 -0.001 0.000 0.272 122 Q C -1.492 174.493 176.000 -0.025 0.000 0.787 122 Q CA -0.092 55.706 55.803 -0.009 0.000 0.904 122 Q CB 2.043 30.773 28.738 -0.013 0.000 1.536 122 Q HN -0.013 nan 8.270 nan 0.000 0.387 123 V N 2.190 122.078 119.914 -0.042 0.000 2.432 123 V HA 0.298 4.417 4.120 -0.001 0.000 0.275 123 V C -2.148 173.878 176.094 -0.114 0.000 1.043 123 V CA -1.841 60.416 62.300 -0.070 0.000 0.925 123 V CB 1.064 32.839 31.823 -0.079 0.000 0.985 123 V HN 0.294 nan 8.190 nan 0.000 0.466 124 P HA 0.052 nan 4.420 nan 0.000 0.263 124 P C -0.480 176.722 177.300 -0.164 0.000 1.195 124 P CA 0.144 63.182 63.100 -0.104 0.000 0.762 124 P CB 0.319 31.977 31.700 -0.070 0.000 0.799 125 V N 5.736 125.528 119.914 -0.203 0.000 2.408 125 V HA 0.083 4.203 4.120 -0.001 0.000 0.267 125 V C 0.754 176.790 176.094 -0.096 0.000 1.047 125 V CA -0.633 61.484 62.300 -0.305 0.000 0.937 125 V CB 0.686 32.274 31.823 -0.393 0.000 0.999 125 V HN 0.423 nan 8.190 nan 0.000 0.472 126 L N 6.471 127.698 121.223 0.007 0.000 2.499 126 L HA 0.219 4.559 4.340 -0.001 0.000 0.273 126 L C 1.075 178.065 176.870 0.200 0.000 1.195 126 L CA 0.798 55.710 54.840 0.121 0.000 0.882 126 L CB -0.295 41.860 42.059 0.160 0.000 1.133 126 L HN 0.809 nan 8.230 nan 0.000 0.483 127 N N 2.627 121.392 118.700 0.109 0.000 2.708 127 N HA -0.252 4.488 4.740 -0.001 0.000 0.251 127 N C 0.280 175.857 175.510 0.111 0.000 1.123 127 N CA 1.227 54.335 53.050 0.097 0.000 0.739 127 N CB -1.218 37.324 38.487 0.092 0.000 1.113 127 N HN 0.746 nan 8.380 nan 0.000 0.561 128 A N -0.409 122.476 122.820 0.109 0.000 2.508 128 A HA 0.286 4.606 4.320 -0.001 0.000 0.250 128 A C 0.944 178.561 177.584 0.055 0.000 1.208 128 A CA 0.514 52.616 52.037 0.108 0.000 0.960 128 A CB 0.224 19.318 19.000 0.157 0.000 1.099 128 A HN 0.243 nan 8.150 nan 0.000 0.542 129 N N 0.574 119.294 118.700 0.033 0.000 2.699 129 N HA -0.207 4.533 4.740 -0.001 0.000 0.256 129 N C -0.100 175.412 175.510 0.004 0.000 0.993 129 N CA 1.637 54.696 53.050 0.014 0.000 0.759 129 N CB -1.201 37.297 38.487 0.018 0.000 0.906 129 N HN 0.909 nan 8.380 nan 0.000 0.541 130 Q N -2.819 116.975 119.800 -0.010 0.000 2.687 130 Q HA 0.605 4.944 4.340 -0.001 0.000 0.295 130 Q C -1.374 174.592 176.000 -0.056 0.000 0.920 130 Q CA -1.044 54.745 55.803 -0.023 0.000 0.766 130 Q CB 1.092 29.823 28.738 -0.011 0.000 1.467 130 Q HN 0.030 nan 8.270 nan 0.000 0.415 131 T N -0.479 114.039 114.554 -0.059 0.000 2.916 131 T HA 0.880 5.229 4.350 -0.001 0.000 0.292 131 T C -1.704 172.943 174.700 -0.087 0.000 1.055 131 T CA -0.049 62.004 62.100 -0.078 0.000 1.009 131 T CB 1.803 70.641 68.868 -0.049 0.000 1.118 131 T HN 0.785 nan 8.240 nan 0.000 0.497 132 A N 1.858 124.611 122.820 -0.111 0.000 2.449 132 A HA 0.620 4.939 4.320 -0.001 0.000 0.302 132 A C -1.210 176.352 177.584 -0.037 0.000 1.048 132 A CA -0.664 51.317 52.037 -0.093 0.000 0.708 132 A CB 1.562 20.444 19.000 -0.197 0.000 1.274 132 A HN 0.702 nan 8.150 nan 0.000 0.410 133 D N 2.140 122.549 120.400 0.015 0.000 2.422 133 D HA 0.314 4.954 4.640 -0.001 0.000 0.227 133 D C 0.345 176.701 176.300 0.093 0.000 1.190 133 D CA 0.186 54.239 54.000 0.087 0.000 0.905 133 D CB 0.557 41.434 40.800 0.129 0.000 1.034 133 D HN 0.629 nan 8.370 nan 0.000 0.507 134 V N 2.798 122.773 119.914 0.101 0.000 2.804 134 V HA 0.270 4.390 4.120 -0.001 0.000 0.360 134 V C 0.646 176.883 176.094 0.237 0.000 1.282 134 V CA -0.867 61.500 62.300 0.111 0.000 1.274 134 V CB -0.791 31.073 31.823 0.069 0.000 1.415 134 V HN 0.582 nan 8.190 nan 0.000 0.610 135 H N 0.512 119.671 119.070 0.149 0.000 2.757 135 H HA 0.649 5.204 4.556 -0.001 0.000 0.370 135 H C 0.457 175.845 175.328 0.099 0.000 1.172 135 H CA 0.758 56.873 56.048 0.113 0.000 1.426 135 H CB 1.318 31.122 29.762 0.070 0.000 1.438 135 H HN 0.995 nan 8.280 nan 0.000 0.612 136 G N -0.118 108.642 108.800 -0.067 0.000 2.526 136 G HA2 0.348 4.307 3.960 -0.001 0.000 0.250 136 G HA3 0.348 4.307 3.960 -0.001 0.000 0.250 136 G C 0.130 174.527 174.900 -0.839 0.000 1.289 136 G CA 0.442 45.288 45.100 -0.423 0.000 0.947 136 G HN 1.963 nan 8.290 nan 0.000 0.517 137 G N -2.040 105.953 108.800 -1.345 0.000 2.796 137 G HA2 0.113 4.073 3.960 -0.001 0.000 0.226 137 G HA3 0.113 4.073 3.960 -0.001 0.000 0.226 137 G C 0.098 174.511 174.900 -0.811 0.000 1.381 137 G CA 0.430 44.642 45.100 -1.479 0.000 0.867 137 G HN 1.682 nan 8.290 nan 0.000 0.552 138 W N -0.939 120.238 121.300 -0.205 0.000 2.639 138 W HA 0.563 5.223 4.660 -0.001 0.000 0.347 138 W C -0.239 176.219 176.519 -0.102 0.000 1.067 138 W CA -1.131 56.136 57.345 -0.129 0.000 1.218 138 W CB 0.933 30.421 29.460 0.046 0.000 1.393 138 W HN 0.461 nan 8.180 nan 0.000 0.557 139 Y N 1.117 121.573 120.300 0.260 0.000 2.597 139 Y HA -0.112 4.438 4.550 -0.001 0.000 0.336 139 Y C 1.546 177.612 175.900 0.277 0.000 1.216 139 Y CA 0.297 58.515 58.100 0.197 0.000 1.463 139 Y CB -0.026 38.506 38.460 0.119 0.000 1.303 139 Y HN 0.391 nan 8.280 nan 0.000 0.576 140 D N 1.016 121.713 120.400 0.495 0.000 2.144 140 D HA 0.090 4.730 4.640 -0.001 0.000 0.200 140 D C 0.130 176.719 176.300 0.482 0.000 0.978 140 D CA 1.417 55.707 54.000 0.483 0.000 0.833 140 D CB 0.298 41.422 40.800 0.541 0.000 0.961 140 D HN 0.636 nan 8.370 nan 0.000 0.470 141 A N -1.641 121.418 122.820 0.399 0.000 2.593 141 A HA 0.488 4.808 4.320 -0.001 0.000 0.290 141 A C 0.885 178.615 177.584 0.243 0.000 1.126 141 A CA 0.112 52.353 52.037 0.339 0.000 0.695 141 A CB 0.796 19.932 19.000 0.227 0.000 1.290 141 A HN 0.021 nan 8.150 nan 0.000 0.414 142 S N -0.643 115.181 115.700 0.207 0.000 2.442 142 S HA 0.063 4.532 4.470 -0.001 0.000 0.236 142 S C 1.141 175.871 174.600 0.217 0.000 1.007 142 S CA 1.397 59.740 58.200 0.239 0.000 0.965 142 S CB -0.133 63.238 63.200 0.286 0.000 0.773 142 S HN 1.795 nan 8.310 nan 0.000 0.504 143 G N 0.239 109.067 108.800 0.046 0.000 3.899 143 G HA2 0.398 4.358 3.960 -0.001 0.000 0.293 143 G HA3 0.398 4.358 3.960 -0.001 0.000 0.293 143 G C -0.831 173.961 174.900 -0.181 0.000 1.054 143 G CA -0.243 44.804 45.100 -0.088 0.000 0.846 143 G HN 0.343 nan 8.290 nan 0.000 0.525 144 D N 0.455 120.826 120.400 -0.048 0.000 2.616 144 D HA 0.148 4.787 4.640 -0.001 0.000 0.238 144 D C 0.988 177.285 176.300 -0.005 0.000 1.354 144 D CA -0.552 53.473 54.000 0.042 0.000 0.970 144 D CB 1.770 42.732 40.800 0.270 0.000 1.369 144 D HN 0.030 nan 8.370 nan 0.000 0.585 145 V N 0.968 120.742 119.914 -0.233 0.000 3.630 145 V HA 0.270 4.390 4.120 -0.001 0.000 0.273 145 V C 0.806 176.906 176.094 0.009 0.000 1.248 145 V CA -0.083 61.974 62.300 -0.405 0.000 1.170 145 V CB -0.543 30.593 31.823 -1.146 0.000 0.899 145 V HN 0.302 nan 8.190 nan 0.000 0.457 146 S N 1.115 116.882 115.700 0.111 0.000 2.603 146 S HA 0.495 4.964 4.470 -0.001 0.000 0.268 146 S C 0.020 174.803 174.600 0.304 0.000 1.317 146 S CA -0.372 57.922 58.200 0.156 0.000 1.012 146 S CB 0.803 64.095 63.200 0.154 0.000 0.926 146 S HN 0.673 nan 8.310 nan 0.000 0.539 147 K N 1.064 121.566 120.400 0.170 0.000 2.371 147 K HA 0.530 4.850 4.320 -0.001 0.000 0.251 147 K C -1.722 175.011 176.600 0.223 0.000 0.934 147 K CA -0.480 55.980 56.287 0.287 0.000 0.798 147 K CB 1.722 34.323 32.500 0.169 0.000 1.204 147 K HN 0.557 nan 8.250 nan 0.000 0.427 148 Y N 1.479 121.970 120.300 0.318 0.000 2.421 148 Y HA 0.177 4.727 4.550 -0.001 0.000 0.339 148 Y C 0.504 176.575 175.900 0.286 0.000 0.996 148 Y CA -0.982 57.291 58.100 0.289 0.000 1.046 148 Y CB 1.614 40.242 38.460 0.279 0.000 1.226 148 Y HN 0.392 nan 8.280 nan 0.000 0.445 149 L N 1.115 122.557 121.223 0.366 0.000 2.131 149 L HA 0.103 4.442 4.340 -0.001 0.000 0.206 149 L C 0.710 177.736 176.870 0.260 0.000 1.087 149 L CA 1.395 56.385 54.840 0.250 0.000 0.767 149 L CB -0.089 42.057 42.059 0.144 0.000 0.917 149 L HN 0.592 nan 8.230 nan 0.000 0.441 150 S N -2.931 112.970 115.700 0.335 0.000 2.656 150 S HA 0.511 4.980 4.470 -0.001 0.000 0.265 150 S C -1.571 173.295 174.600 0.443 0.000 1.132 150 S CA -0.586 57.811 58.200 0.328 0.000 0.819 150 S CB 0.644 63.946 63.200 0.169 0.000 1.119 150 S HN 0.445 nan 8.310 nan 0.000 0.476 151 H N 0.299 119.424 119.070 0.092 0.000 3.110 151 H HA 0.561 5.117 4.556 -0.001 0.000 0.277 151 H C -0.050 175.159 175.328 -0.199 0.000 1.571 151 H CA -0.136 55.866 56.048 -0.076 0.000 1.206 151 H CB -0.417 29.272 29.762 -0.122 0.000 1.852 151 H HN 0.968 nan 8.280 nan 0.000 0.629 152 L N -0.088 120.889 121.223 -0.409 0.000 4.040 152 L HA -0.259 4.081 4.340 -0.001 0.000 0.410 152 L C 1.089 177.753 176.870 -0.344 0.000 1.187 152 L CA 0.714 55.292 54.840 -0.437 0.000 0.956 152 L CB -2.067 39.492 42.059 -0.833 0.000 2.022 152 L HN 0.574 nan 8.230 nan 0.000 0.897 153 S N -0.556 115.059 115.700 -0.141 0.000 2.400 153 S HA -0.189 4.280 4.470 -0.001 0.000 0.232 153 S C 1.586 176.117 174.600 -0.115 0.000 1.025 153 S CA 1.805 59.938 58.200 -0.111 0.000 0.993 153 S CB -0.275 62.903 63.200 -0.036 0.000 0.808 153 S HN 0.828 nan 8.310 nan 0.000 0.478 154 Y N 0.537 120.756 120.300 -0.135 0.000 2.497 154 Y HA 0.302 4.852 4.550 -0.001 0.000 0.292 154 Y C 1.901 177.736 175.900 -0.107 0.000 1.137 154 Y CA 0.488 58.521 58.100 -0.110 0.000 1.285 154 Y CB -0.441 37.980 38.460 -0.066 0.000 0.991 154 Y HN 0.162 nan 8.280 nan 0.000 0.556 155 A N 0.243 122.596 122.820 -0.779 0.000 2.238 155 A HA 0.070 4.389 4.320 -0.001 0.000 0.210 155 A C 1.363 178.696 177.584 -0.419 0.000 1.179 155 A CA 0.576 52.247 52.037 -0.611 0.000 0.827 155 A CB -0.341 18.238 19.000 -0.702 0.000 0.856 155 A HN 0.634 nan 8.150 nan 0.000 0.488 156 N N -2.078 116.367 118.700 -0.425 0.000 2.624 156 N HA -0.287 4.452 4.740 -0.001 0.000 0.222 156 N C 0.176 175.352 175.510 -0.556 0.000 0.908 156 N CA 2.683 55.413 53.050 -0.532 0.000 1.919 156 N CB -1.160 36.890 38.487 -0.729 0.000 0.893 156 N HN 0.656 nan 8.380 nan 0.000 0.549 157 Y N 0.033 120.233 120.300 -0.168 0.000 2.555 157 Y HA 0.451 5.000 4.550 -0.001 0.000 0.259 157 Y C 1.557 177.319 175.900 -0.230 0.000 1.179 157 Y CA -0.001 58.012 58.100 -0.145 0.000 1.230 157 Y CB 0.399 38.777 38.460 -0.136 0.000 1.146 157 Y HN 0.016 nan 8.280 nan 0.000 0.526 158 L N -0.817 120.278 121.223 -0.212 0.000 2.817 158 L HA 0.207 4.546 4.340 -0.001 0.000 0.248 158 L C 0.036 176.691 176.870 -0.359 0.000 1.133 158 L CA 0.044 54.639 54.840 -0.408 0.000 0.935 158 L CB -0.090 41.663 42.059 -0.510 0.000 1.266 158 L HN -0.018 nan 8.230 nan 0.000 0.535 159 N N 2.250 120.858 118.700 -0.153 0.000 2.347 159 N HA -0.008 4.732 4.740 -0.001 0.000 0.278 159 N C -2.435 173.198 175.510 0.205 0.000 1.367 159 N CA -0.419 52.603 53.050 -0.048 0.000 0.898 159 N CB 0.339 38.812 38.487 -0.024 0.000 1.203 159 N HN 0.045 nan 8.380 nan 0.000 0.491 160 P HA 0.141 nan 4.420 nan 0.000 0.292 160 P C -1.206 176.228 177.300 0.223 0.000 1.283 160 P CA -0.643 62.664 63.100 0.345 0.000 0.835 160 P CB 1.085 33.080 31.700 0.492 0.000 1.017 161 Q N 2.110 122.013 119.800 0.172 0.000 2.288 161 Q HA 0.222 4.561 4.340 -0.001 0.000 0.258 161 Q C 0.597 176.644 176.000 0.078 0.000 0.957 161 Q CA 0.093 55.966 55.803 0.115 0.000 0.919 161 Q CB 1.416 30.203 28.738 0.082 0.000 1.185 161 Q HN 0.512 nan 8.270 nan 0.000 0.408 162 Q N 0.769 120.625 119.800 0.093 0.000 2.729 162 Q HA 0.152 4.492 4.340 -0.001 0.000 0.228 162 Q C 1.461 177.504 176.000 0.072 0.000 1.021 162 Q CA 0.097 55.930 55.803 0.051 0.000 0.561 162 Q CB -0.106 28.743 28.738 0.185 0.000 3.921 162 Q HN 0.566 nan 8.270 nan 0.000 0.430 163 T N 3.105 117.786 114.554 0.212 0.000 2.653 163 T HA -0.135 4.215 4.350 -0.001 0.000 0.268 163 T C -1.255 173.569 174.700 0.207 0.000 1.035 163 T CA 2.030 64.313 62.100 0.304 0.000 1.154 163 T CB -1.393 67.755 68.868 0.468 0.000 0.862 163 T HN 0.231 nan 8.240 nan 0.000 0.441 164 P HA 0.092 nan 4.420 nan 0.000 0.223 164 P C 1.453 178.763 177.300 0.017 0.000 1.151 164 P CA 0.685 63.811 63.100 0.044 0.000 0.787 164 P CB -0.127 31.544 31.700 -0.048 0.000 0.788 165 M N -0.274 119.308 119.600 -0.030 0.000 2.117 165 M HA -0.117 4.362 4.480 -0.001 0.000 0.262 165 M C 1.851 178.024 176.300 -0.212 0.000 1.065 165 M CA 1.607 56.836 55.300 -0.118 0.000 1.114 165 M CB -1.221 31.278 32.600 -0.168 0.000 1.361 165 M HN -0.295 nan 8.290 nan 0.000 0.408 166 V N -0.998 118.767 119.914 -0.249 0.000 2.252 166 V HA -0.310 3.809 4.120 -0.001 0.000 0.249 166 V C 2.270 178.164 176.094 -0.334 0.000 1.056 166 V CA 2.022 64.050 62.300 -0.453 0.000 1.022 166 V CB -1.181 30.203 31.823 -0.733 0.000 0.641 166 V HN 0.377 nan 8.190 nan 0.000 0.445 167 V N -1.451 118.407 119.914 -0.094 0.000 2.295 167 V HA -0.277 3.842 4.120 -0.001 0.000 0.246 167 V C 2.002 178.047 176.094 -0.083 0.000 1.049 167 V CA 2.347 64.629 62.300 -0.029 0.000 1.024 167 V CB -0.828 31.027 31.823 0.055 0.000 0.648 167 V HN 0.738 nan 8.190 nan 0.000 0.447 168 W N 1.546 122.732 121.300 -0.190 0.000 2.355 168 W HA -0.173 4.486 4.660 -0.001 0.000 0.309 168 W C 2.394 178.778 176.519 -0.225 0.000 1.206 168 W CA 2.004 59.237 57.345 -0.186 0.000 1.284 168 W CB -0.370 28.988 29.460 -0.171 0.000 1.145 168 W HN 0.239 nan 8.180 nan 0.000 0.502 169 N N 0.473 119.098 118.700 -0.125 0.000 2.061 169 N HA -0.245 4.494 4.740 -0.001 0.000 0.193 169 N C 1.719 177.009 175.510 -0.366 0.000 1.030 169 N CA 2.457 55.317 53.050 -0.316 0.000 0.856 169 N CB -0.933 37.296 38.487 -0.431 0.000 1.023 169 N HN 0.234 nan 8.380 nan 0.000 0.424 170 I N 0.460 120.831 120.570 -0.331 0.000 2.179 170 I HA -0.238 3.931 4.170 -0.001 0.000 0.242 170 I C 1.982 177.928 176.117 -0.286 0.000 1.088 170 I CA 0.868 61.999 61.300 -0.281 0.000 1.357 170 I CB -0.233 37.612 38.000 -0.259 0.000 1.051 170 I HN 0.092 nan 8.210 nan 0.000 0.409 171 L N 0.401 121.424 121.223 -0.334 0.000 2.046 171 L HA -0.231 4.109 4.340 -0.001 0.000 0.208 171 L C 2.598 179.202 176.870 -0.444 0.000 1.077 171 L CA 1.245 55.875 54.840 -0.349 0.000 0.747 171 L CB -0.536 41.314 42.059 -0.348 0.000 0.896 171 L HN 0.172 nan 8.230 nan 0.000 0.432 172 K N 0.642 120.626 120.400 -0.693 0.000 2.026 172 K HA -0.117 4.202 4.320 -0.001 0.000 0.208 172 K C 1.966 178.345 176.600 -0.369 0.000 1.048 172 K CA 1.610 57.480 56.287 -0.696 0.000 0.929 172 K CB -0.782 31.012 32.500 -1.178 0.000 0.713 172 K HN 0.209 nan 8.250 nan 0.000 0.439 173 G N 0.872 109.489 108.800 -0.306 0.000 2.440 173 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.218 173 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.218 173 G C 1.325 176.125 174.900 -0.166 0.000 1.154 173 G CA 0.797 45.781 45.100 -0.193 0.000 0.767 173 G HN 0.232 nan 8.290 nan 0.000 0.552 174 L N 1.980 123.093 121.223 -0.182 0.000 2.012 174 L HA -0.110 4.229 4.340 -0.001 0.000 0.210 174 L C 3.290 180.083 176.870 -0.128 0.000 1.073 174 L CA 2.383 57.136 54.840 -0.145 0.000 0.748 174 L CB -1.155 40.816 42.059 -0.147 0.000 0.891 174 L HN 0.453 nan 8.230 nan 0.000 0.431 175 S N -1.567 114.043 115.700 -0.150 0.000 2.406 175 S HA -0.121 4.349 4.470 -0.001 0.000 0.228 175 S C 2.117 176.663 174.600 -0.090 0.000 1.020 175 S CA 0.736 58.867 58.200 -0.116 0.000 0.965 175 S CB -0.671 62.452 63.200 -0.129 0.000 0.798 175 S HN 0.400 nan 8.310 nan 0.000 0.488 176 L N 0.577 121.740 121.223 -0.100 0.000 2.046 176 L HA 0.030 4.369 4.340 -0.001 0.000 0.208 176 L C 2.221 179.051 176.870 -0.066 0.000 1.077 176 L CA 1.282 56.081 54.840 -0.069 0.000 0.747 176 L CB -0.448 41.571 42.059 -0.066 0.000 0.896 176 L HN 0.332 nan 8.230 nan 0.000 0.432 177 L N -0.932 120.242 121.223 -0.082 0.000 2.592 177 L HA 0.079 4.418 4.340 -0.001 0.000 0.227 177 L C 0.936 177.766 176.870 -0.067 0.000 1.127 177 L CA -0.253 54.538 54.840 -0.083 0.000 0.884 177 L CB -0.211 41.787 42.059 -0.102 0.000 1.065 177 L HN 0.206 nan 8.230 nan 0.000 0.457 178 E N 1.134 121.297 120.200 -0.062 0.000 2.493 178 E HA 0.113 4.463 4.350 -0.001 0.000 0.255 178 E C 1.150 177.728 176.600 -0.036 0.000 0.999 178 E CA 0.858 57.228 56.400 -0.050 0.000 0.934 178 E CB 0.274 29.944 29.700 -0.051 0.000 0.940 178 E HN 0.344 nan 8.360 nan 0.000 0.473 179 G N 3.119 111.902 108.800 -0.030 0.000 2.175 179 G HA2 -0.305 3.655 3.960 -0.001 0.000 0.244 179 G HA3 -0.305 3.655 3.960 -0.001 0.000 0.244 179 G C 0.177 175.066 174.900 -0.020 0.000 0.982 179 G CA 0.387 45.475 45.100 -0.020 0.000 0.641 179 G HN 0.866 nan 8.290 nan 0.000 0.527 180 S N -1.033 114.650 115.700 -0.029 0.000 2.747 180 S HA 0.733 5.203 4.470 -0.001 0.000 0.300 180 S C 0.306 174.888 174.600 -0.030 0.000 1.121 180 S CA -0.020 58.163 58.200 -0.029 0.000 0.995 180 S CB 2.195 65.369 63.200 -0.044 0.000 1.113 180 S HN 0.140 nan 8.310 nan 0.000 0.547 181 E N -0.209 119.977 120.200 -0.024 0.000 2.423 181 E HA 0.184 4.533 4.350 -0.001 0.000 0.198 181 E C -0.121 176.456 176.600 -0.039 0.000 1.038 181 E CA -0.127 56.262 56.400 -0.018 0.000 1.011 181 E CB 0.136 29.838 29.700 0.003 0.000 1.118 181 E HN 0.523 nan 8.360 nan 0.000 0.451 182 D N 0.356 120.700 120.400 -0.093 0.000 2.178 182 D HA -0.042 4.598 4.640 -0.001 0.000 0.202 182 D C 0.927 177.150 176.300 -0.129 0.000 0.974 182 D CA 0.916 54.802 54.000 -0.190 0.000 0.841 182 D CB 0.220 40.821 40.800 -0.333 0.000 0.953 182 D HN 0.372 nan 8.370 nan 0.000 0.478 183 I N -2.949 117.572 120.570 -0.082 0.000 2.846 183 I HA 0.672 4.841 4.170 -0.001 0.000 0.307 183 I C -0.360 175.751 176.117 -0.010 0.000 1.053 183 I CA -1.537 59.738 61.300 -0.042 0.000 1.050 183 I CB 2.138 40.108 38.000 -0.050 0.000 1.239 183 I HN -0.262 nan 8.210 nan 0.000 0.439 184 A N 2.878 125.711 122.820 0.021 0.000 2.332 184 A HA 0.693 5.013 4.320 -0.001 0.000 0.258 184 A C 1.366 178.984 177.584 0.055 0.000 1.087 184 A CA 0.100 52.166 52.037 0.048 0.000 0.802 184 A CB 0.651 19.700 19.000 0.082 0.000 1.042 184 A HN 1.164 nan 8.150 nan 0.000 0.489 185 A N 0.515 123.377 122.820 0.069 0.000 1.892 185 A HA -0.147 4.173 4.320 -0.001 0.000 0.218 185 A C 1.872 179.514 177.584 0.097 0.000 1.188 185 A CA 2.210 54.289 52.037 0.069 0.000 0.631 185 A CB -0.844 18.202 19.000 0.078 0.000 0.822 185 A HN 1.133 nan 8.150 nan 0.000 0.447 186 F N 1.385 121.334 119.950 -0.003 0.000 2.171 186 F HA -0.136 4.391 4.527 -0.001 0.000 0.300 186 F C 2.525 178.321 175.800 -0.007 0.000 1.090 186 F CA 2.083 60.083 58.000 0.001 0.000 1.293 186 F CB -0.538 38.467 39.000 0.009 0.000 1.013 186 F HN 0.234 nan 8.300 nan 0.000 0.486 187 T N 0.180 114.766 114.554 0.054 0.000 2.708 187 T HA -0.226 4.124 4.350 -0.001 0.000 0.266 187 T C 2.113 176.750 174.700 -0.106 0.000 1.037 187 T CA 1.571 63.648 62.100 -0.039 0.000 1.146 187 T CB -0.357 68.517 68.868 0.010 0.000 0.865 187 T HN 0.257 nan 8.240 nan 0.000 0.435 188 R N 0.694 121.149 120.500 -0.076 0.000 2.073 188 R HA -0.131 4.209 4.340 -0.001 0.000 0.234 188 R C 2.399 178.627 176.300 -0.120 0.000 1.134 188 R CA 1.839 57.888 56.100 -0.085 0.000 0.952 188 R CB -0.661 29.606 30.300 -0.055 0.000 0.850 188 R HN 0.296 nan 8.270 nan 0.000 0.433 189 T N 0.568 115.027 114.554 -0.157 0.000 2.699 189 T HA -0.156 4.193 4.350 -0.001 0.000 0.268 189 T C 1.825 176.375 174.700 -0.250 0.000 1.036 189 T CA 1.659 63.636 62.100 -0.204 0.000 1.147 189 T CB -0.194 68.514 68.868 -0.268 0.000 0.862 189 T HN 0.373 nan 8.240 nan 0.000 0.446 190 R N 0.135 120.430 120.500 -0.340 0.000 2.092 190 R HA 0.112 4.451 4.340 -0.001 0.000 0.231 190 R C 2.449 178.661 176.300 -0.147 0.000 1.119 190 R CA 0.868 56.797 56.100 -0.286 0.000 0.970 190 R CB -0.393 29.708 30.300 -0.333 0.000 0.864 190 R HN 0.347 nan 8.270 nan 0.000 0.440 191 L N 0.293 121.439 121.223 -0.129 0.000 2.027 191 L HA -0.149 4.191 4.340 -0.001 0.000 0.206 191 L C 2.297 179.121 176.870 -0.075 0.000 1.074 191 L CA 1.191 55.974 54.840 -0.095 0.000 0.745 191 L CB -0.312 41.686 42.059 -0.102 0.000 0.898 191 L HN 0.160 nan 8.230 nan 0.000 0.433 192 I N -0.114 120.409 120.570 -0.079 0.000 2.194 192 I HA -0.353 3.816 4.170 -0.001 0.000 0.246 192 I C 2.669 178.779 176.117 -0.012 0.000 1.093 192 I CA 1.733 63.002 61.300 -0.052 0.000 1.355 192 I CB -0.345 37.623 38.000 -0.053 0.000 1.046 192 I HN 0.417 nan 8.210 nan 0.000 0.413 193 E N 1.085 121.274 120.200 -0.019 0.000 2.077 193 E HA -0.306 4.043 4.350 -0.001 0.000 0.193 193 E C 2.035 178.698 176.600 0.105 0.000 0.989 193 E CA 1.585 58.001 56.400 0.027 0.000 0.800 193 E CB 0.013 29.703 29.700 -0.017 0.000 0.746 193 E HN 0.319 nan 8.360 nan 0.000 0.452 194 E N 0.343 120.601 120.200 0.097 0.000 2.110 194 E HA -0.114 4.236 4.350 -0.001 0.000 0.193 194 E C 1.731 178.527 176.600 0.327 0.000 0.988 194 E CA 1.399 57.936 56.400 0.229 0.000 0.804 194 E CB -0.305 29.476 29.700 0.135 0.000 0.745 194 E HN 0.394 nan 8.360 nan 0.000 0.458 195 A N 0.157 123.059 122.820 0.136 0.000 1.873 195 A HA -0.116 4.203 4.320 -0.001 0.000 0.215 195 A C 2.258 179.890 177.584 0.081 0.000 1.186 195 A CA 1.302 53.392 52.037 0.088 0.000 0.616 195 A CB -0.693 18.284 19.000 -0.038 0.000 0.823 195 A HN 0.304 nan 8.150 nan 0.000 0.442 196 L N -1.992 119.274 121.223 0.071 0.000 2.141 196 L HA -0.116 4.224 4.340 -0.001 0.000 0.209 196 L C 2.435 179.367 176.870 0.102 0.000 1.094 196 L CA 1.239 56.115 54.840 0.061 0.000 0.763 196 L CB -0.522 41.611 42.059 0.123 0.000 0.908 196 L HN 0.506 nan 8.230 nan 0.000 0.437 197 F N 1.136 121.086 119.950 -0.001 0.000 2.091 197 F HA -0.204 4.323 4.527 -0.001 0.000 0.299 197 F C 2.190 177.862 175.800 -0.213 0.000 1.103 197 F CA 1.767 59.713 58.000 -0.091 0.000 1.228 197 F CB -0.578 38.351 39.000 -0.119 0.000 0.984 197 F HN -0.010 nan 8.300 nan 0.000 0.477 198 G N -0.548 108.128 108.800 -0.208 0.000 2.402 198 G HA2 -0.162 3.797 3.960 -0.001 0.000 0.216 198 G HA3 -0.162 3.797 3.960 -0.001 0.000 0.216 198 G C 1.828 176.663 174.900 -0.107 0.000 1.162 198 G CA 0.723 45.651 45.100 -0.287 0.000 0.777 198 G HN 0.630 nan 8.290 nan 0.000 0.539 199 A N 1.242 124.004 122.820 -0.097 0.000 1.908 199 A HA -0.100 4.220 4.320 -0.001 0.000 0.218 199 A C 2.089 179.678 177.584 0.009 0.000 1.181 199 A CA 2.187 54.118 52.037 -0.177 0.000 0.627 199 A CB -0.463 18.200 19.000 -0.562 0.000 0.818 199 A HN 0.284 nan 8.150 nan 0.000 0.445 200 D N -1.108 119.355 120.400 0.107 0.000 2.117 200 D HA -0.144 4.495 4.640 -0.001 0.000 0.197 200 D C 1.595 177.945 176.300 0.084 0.000 0.987 200 D CA 1.331 55.487 54.000 0.259 0.000 0.829 200 D CB -0.485 40.386 40.800 0.119 0.000 0.961 200 D HN 0.471 nan 8.370 nan 0.000 0.460 201 F N 1.469 121.246 119.950 -0.288 0.000 2.134 201 F HA -0.126 4.401 4.527 -0.001 0.000 0.299 201 F C 2.083 177.807 175.800 -0.128 0.000 1.097 201 F CA 1.059 58.878 58.000 -0.300 0.000 1.264 201 F CB -0.412 38.311 39.000 -0.461 0.000 1.001 201 F HN -0.105 nan 8.300 nan 0.000 0.479 202 L N -0.686 120.426 121.223 -0.185 0.000 2.017 202 L HA -0.243 4.097 4.340 -0.001 0.000 0.208 202 L C 2.453 179.293 176.870 -0.049 0.000 1.073 202 L CA 1.285 56.007 54.840 -0.197 0.000 0.745 202 L CB -1.136 40.847 42.059 -0.127 0.000 0.894 202 L HN 0.004 nan 8.230 nan 0.000 0.432 203 V N 0.086 119.973 119.914 -0.045 0.000 2.278 203 V HA -0.351 3.769 4.120 -0.001 0.000 0.251 203 V C 2.619 178.558 176.094 -0.260 0.000 1.062 203 V CA 2.007 64.206 62.300 -0.168 0.000 1.038 203 V CB -0.709 30.856 31.823 -0.430 0.000 0.646 203 V HN 0.446 nan 8.190 nan 0.000 0.447 204 R N -1.070 119.290 120.500 -0.233 0.000 2.148 204 R HA -0.023 4.317 4.340 -0.001 0.000 0.227 204 R C 2.076 178.261 176.300 -0.191 0.000 1.103 204 R CA 0.993 56.980 56.100 -0.188 0.000 0.983 204 R CB -0.242 29.983 30.300 -0.124 0.000 0.874 204 R HN 0.381 nan 8.270 nan 0.000 0.451 205 M N 0.569 120.004 119.600 -0.275 0.000 2.619 205 M HA -0.016 4.464 4.480 -0.001 0.000 0.251 205 M C 0.656 176.848 176.300 -0.181 0.000 1.106 205 M CA 0.746 55.944 55.300 -0.169 0.000 1.086 205 M CB -0.262 32.125 32.600 -0.356 0.000 1.465 205 M HN 0.094 nan 8.290 nan 0.000 0.506 206 Q N 1.979 121.575 119.800 -0.340 0.000 2.295 206 Q HA 0.087 4.426 4.340 -0.001 0.000 0.259 206 Q C -0.018 175.493 176.000 -0.816 0.000 0.976 206 Q CA -0.139 55.171 55.803 -0.822 0.000 0.923 206 Q CB 0.820 28.967 28.738 -0.984 0.000 1.185 206 Q HN 0.233 nan 8.270 nan 0.000 0.410 207 N N 2.251 120.207 118.700 -1.239 0.000 2.453 207 N HA -0.089 4.650 4.740 -0.001 0.000 0.253 207 N C 0.538 175.562 175.510 -0.809 0.000 1.252 207 N CA 0.280 52.648 53.050 -1.136 0.000 0.917 207 N CB 0.992 38.336 38.487 -1.906 0.000 1.117 207 N HN 0.710 nan 8.380 nan 0.000 0.442 208 E N 2.723 122.619 120.200 -0.506 0.000 2.267 208 E HA -0.198 4.152 4.350 -0.001 0.000 0.197 208 E C 0.998 177.408 176.600 -0.317 0.000 0.998 208 E CA 1.551 57.748 56.400 -0.337 0.000 0.830 208 E CB -0.056 29.524 29.700 -0.200 0.000 0.751 208 E HN 0.574 nan 8.360 nan 0.000 0.491 209 K N -0.340 119.824 120.400 -0.393 0.000 2.283 209 K HA 0.047 4.366 4.320 -0.001 0.000 0.202 209 K C 1.338 177.722 176.600 -0.359 0.000 1.048 209 K CA 0.923 57.067 56.287 -0.239 0.000 0.948 209 K CB 0.070 32.539 32.500 -0.052 0.000 0.742 209 K HN 0.441 nan 8.250 nan 0.000 0.458 210 G N 1.217 109.606 108.800 -0.684 0.000 2.480 210 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.193 210 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.193 210 G C 0.152 174.501 174.900 -0.918 0.000 1.004 210 G CA -0.179 44.515 45.100 -0.677 0.000 0.696 210 G HN 0.264 nan 8.290 nan 0.000 0.478 211 F N 1.181 120.498 119.950 -1.054 0.000 2.382 211 F HA 0.814 5.341 4.527 -0.001 0.000 0.331 211 F C -0.053 175.272 175.800 -0.792 0.000 1.121 211 F CA -2.098 55.452 58.000 -0.750 0.000 1.183 211 F CB 0.342 38.996 39.000 -0.576 0.000 1.207 211 F HN -0.066 nan 8.300 nan 0.000 0.555 212 F N 1.323 121.172 119.950 -0.169 0.000 2.399 212 F HA 0.398 4.925 4.527 -0.000 0.000 0.334 212 F C -0.333 175.423 175.800 -0.074 0.000 1.097 212 F CA -0.726 57.122 58.000 -0.254 0.000 1.076 212 F CB 0.542 39.451 39.000 -0.151 0.000 1.162 212 F HN 0.336 nan 8.300 nan 0.000 0.495 213 Y N 2.243 122.651 120.300 0.181 0.000 2.411 213 Y HA 0.060 4.609 4.550 -0.001 0.000 0.333 213 Y C 1.344 177.326 175.900 0.137 0.000 1.186 213 Y CA -0.295 57.900 58.100 0.159 0.000 1.381 213 Y CB 0.533 38.988 38.460 -0.009 0.000 1.273 213 Y HN 0.676 nan 8.280 nan 0.000 0.546 214 M N 0.548 120.339 119.600 0.320 0.000 2.388 214 M HA 0.042 4.521 4.480 -0.001 0.000 0.265 214 M C -0.584 175.822 176.300 0.178 0.000 1.088 214 M CA 1.205 56.632 55.300 0.211 0.000 1.134 214 M CB 0.320 33.020 32.600 0.166 0.000 1.384 214 M HN 0.795 nan 8.290 nan 0.000 0.447 215 T N -0.554 114.085 114.554 0.143 0.000 3.047 215 T HA 0.342 4.691 4.350 -0.001 0.000 0.340 215 T C -1.044 173.667 174.700 0.019 0.000 1.421 215 T CA -0.799 61.306 62.100 0.009 0.000 1.090 215 T CB 2.209 71.011 68.868 -0.111 0.000 1.292 215 T HN -0.186 nan 8.240 nan 0.000 0.480 216 V N 3.349 123.265 119.914 0.004 0.000 2.333 216 V HA 0.636 4.755 4.120 -0.001 0.000 0.274 216 V C -0.898 175.190 176.094 -0.009 0.000 1.028 216 V CA -0.575 61.733 62.300 0.013 0.000 0.851 216 V CB 0.313 32.183 31.823 0.078 0.000 1.000 216 V HN 0.808 nan 8.190 nan 0.000 0.456 217 F N 5.013 124.830 119.950 -0.220 0.000 2.520 217 F HA 0.620 5.147 4.527 -0.001 0.000 0.322 217 F C 0.438 176.052 175.800 -0.310 0.000 1.103 217 F CA -1.410 56.387 58.000 -0.339 0.000 0.926 217 F CB 2.307 41.084 39.000 -0.371 0.000 1.154 217 F HN 0.607 nan 8.300 nan 0.000 0.453 218 D N 2.984 122.745 120.400 -1.065 0.000 2.503 218 D HA 0.061 4.701 4.640 -0.001 0.000 0.218 218 D C 0.321 175.982 176.300 -1.065 0.000 1.183 218 D CA -0.042 53.488 54.000 -0.782 0.000 0.827 218 D CB -0.068 40.485 40.800 -0.411 0.000 1.034 218 D HN 0.673 nan 8.370 nan 0.000 0.510 219 K N 0.380 119.488 120.400 -2.153 0.000 3.069 219 K HA -0.177 4.143 4.320 -0.001 0.000 0.267 219 K C -0.550 175.589 176.600 -0.768 0.000 1.082 219 K CA 0.634 55.944 56.287 -1.628 0.000 0.782 219 K CB -1.250 30.810 32.500 -0.733 0.000 1.230 219 K HN 0.365 nan 8.250 nan 0.000 0.488 220 W N -1.921 119.011 121.300 -0.615 0.000 4.233 220 W HA -0.294 4.366 4.660 -0.001 0.000 0.328 220 W C 1.145 177.490 176.519 -0.290 0.000 1.212 220 W CA 1.080 58.222 57.345 -0.338 0.000 0.752 220 W CB -2.770 26.538 29.460 -0.252 0.000 2.277 220 W HN 0.495 nan 8.180 nan 0.000 1.465 221 S N -1.016 114.591 115.700 -0.156 0.000 2.470 221 S HA 0.111 4.581 4.470 -0.001 0.000 0.222 221 S C 1.262 175.848 174.600 -0.024 0.000 1.024 221 S CA 1.025 59.173 58.200 -0.087 0.000 0.931 221 S CB 0.111 63.235 63.200 -0.125 0.000 0.791 221 S HN 0.140 nan 8.310 nan 0.000 0.513 222 K N 0.706 121.085 120.400 -0.035 0.000 3.407 222 K HA -0.146 4.173 4.320 -0.001 0.000 0.312 222 K C -0.647 176.083 176.600 0.216 0.000 1.302 222 K CA 1.123 57.469 56.287 0.098 0.000 0.931 222 K CB -1.881 30.714 32.500 0.158 0.000 1.257 222 K HN 0.580 nan 8.250 nan 0.000 0.454 223 D N -0.168 120.282 120.400 0.082 0.000 2.277 223 D HA 0.130 4.770 4.640 -0.001 0.000 0.249 223 D C 1.201 177.540 176.300 0.065 0.000 1.134 223 D CA 0.475 54.508 54.000 0.054 0.000 0.863 223 D CB 1.194 41.987 40.800 -0.012 0.000 1.143 223 D HN 0.203 nan 8.370 nan 0.000 0.458 224 T N 1.226 115.814 114.554 0.056 0.000 2.915 224 T HA -0.057 4.293 4.350 -0.001 0.000 0.269 224 T C 1.754 176.454 174.700 0.000 0.000 1.071 224 T CA 0.832 62.959 62.100 0.045 0.000 1.132 224 T CB -0.131 68.706 68.868 -0.050 0.000 0.878 224 T HN 0.330 nan 8.240 nan 0.000 0.479 225 A N 1.285 124.091 122.820 -0.023 0.000 2.172 225 A HA 0.032 4.352 4.320 -0.001 0.000 0.216 225 A C 2.207 179.758 177.584 -0.055 0.000 1.154 225 A CA 0.763 52.778 52.037 -0.037 0.000 0.701 225 A CB -0.534 18.444 19.000 -0.038 0.000 0.789 225 A HN 0.649 nan 8.150 nan 0.000 0.465 226 Q N -0.523 119.234 119.800 -0.072 0.000 2.319 226 Q HA 0.099 4.439 4.340 -0.001 0.000 0.202 226 Q C -0.158 175.751 176.000 -0.152 0.000 0.896 226 Q CA -0.198 55.530 55.803 -0.125 0.000 0.942 226 Q CB 0.311 28.946 28.738 -0.172 0.000 1.083 226 Q HN 0.528 nan 8.270 nan 0.000 0.510 227 R N 1.746 122.190 120.500 -0.095 0.000 2.343 227 R HA 0.140 4.480 4.340 -0.001 0.000 0.326 227 R C -0.453 175.801 176.300 -0.076 0.000 1.055 227 R CA 0.501 56.552 56.100 -0.081 0.000 0.961 227 R CB 0.324 30.623 30.300 -0.002 0.000 0.978 227 R HN 0.130 nan 8.270 nan 0.000 0.443 228 E N 2.406 122.554 120.200 -0.086 0.000 2.317 228 E HA 0.291 4.641 4.350 -0.001 0.000 0.270 228 E C -0.554 176.010 176.600 -0.060 0.000 0.885 228 E CA -0.824 55.533 56.400 -0.073 0.000 0.760 228 E CB 2.365 32.030 29.700 -0.057 0.000 1.227 228 E HN 0.380 nan 8.360 nan 0.000 0.434 229 I N 3.436 123.924 120.570 -0.138 0.000 2.421 229 I HA 0.127 4.296 4.170 -0.001 0.000 0.291 229 I C 0.176 176.280 176.117 -0.022 0.000 1.089 229 I CA 0.079 61.267 61.300 -0.186 0.000 1.354 229 I CB -0.491 37.181 38.000 -0.546 0.000 1.413 229 I HN 0.585 nan 8.210 nan 0.000 0.513 230 C N 3.759 123.141 119.300 0.137 0.000 3.293 230 C HA 0.950 5.409 4.460 -0.001 0.000 0.362 230 C C -0.398 174.745 174.990 0.255 0.000 1.539 230 C CA -0.861 58.328 59.018 0.285 0.000 1.201 230 C CB 1.076 28.943 27.740 0.211 0.000 1.770 230 C HN 0.779 nan 8.230 nan 0.000 0.440 231 A N -0.244 122.718 122.820 0.236 0.000 2.350 231 A HA 1.026 5.346 4.320 -0.001 0.000 0.318 231 A C -1.132 176.600 177.584 0.246 0.000 1.132 231 A CA -0.484 51.653 52.037 0.167 0.000 0.811 231 A CB 1.213 20.284 19.000 0.119 0.000 1.313 231 A HN 2.122 nan 8.150 nan 0.000 0.454 232 Y N -1.532 118.794 120.300 0.044 0.000 2.644 232 Y HA 0.833 5.383 4.550 -0.001 0.000 0.338 232 Y C -0.754 175.203 175.900 0.094 0.000 1.119 232 Y CA -0.990 57.139 58.100 0.050 0.000 1.060 232 Y CB 1.189 39.514 38.460 -0.224 0.000 1.294 232 Y HN 0.656 nan 8.280 nan 0.000 0.472 233 E N 0.867 121.230 120.200 0.271 0.000 2.367 233 E HA 0.510 4.860 4.350 -0.001 0.000 0.273 233 E C -1.187 175.387 176.600 -0.043 0.000 0.903 233 E CA -0.691 55.569 56.400 -0.233 0.000 0.764 233 E CB 2.461 31.950 29.700 -0.352 0.000 1.252 233 E HN 1.086 nan 8.360 nan 0.000 0.446 234 T N -1.716 112.706 114.554 -0.220 0.000 0.541 234 T HA -0.312 4.038 4.350 -0.001 0.000 0.774 234 T C 0.775 175.446 174.700 -0.048 0.000 0.992 234 T CA 1.007 63.160 62.100 0.088 0.000 4.077 234 T CB -0.342 68.580 68.868 0.090 0.000 2.303 234 T HN 0.794 nan 8.240 nan 0.000 0.398 235 Q N -0.391 119.096 119.800 -0.522 0.000 2.436 235 Q HA 0.129 4.469 4.340 -0.001 0.000 0.209 235 Q C 1.888 177.712 176.000 -0.294 0.000 0.965 235 Q CA 1.261 56.551 55.803 -0.855 0.000 0.910 235 Q CB -0.223 27.976 28.738 -0.899 0.000 0.980 235 Q HN 0.660 nan 8.270 nan 0.000 0.491 236 L N -1.148 119.967 121.223 -0.180 0.000 2.529 236 L HA 0.252 4.591 4.340 -0.001 0.000 0.223 236 L C 1.076 177.895 176.870 -0.085 0.000 1.113 236 L CA 0.843 55.584 54.840 -0.165 0.000 0.861 236 L CB 0.480 42.343 42.059 -0.328 0.000 1.012 236 L HN 0.273 nan 8.230 nan 0.000 0.461 237 G N -0.292 108.516 108.800 0.012 0.000 2.256 237 G HA2 -0.305 3.654 3.960 -0.001 0.000 0.272 237 G HA3 -0.305 3.654 3.960 -0.001 0.000 0.272 237 G C -0.125 174.743 174.900 -0.053 0.000 1.076 237 G CA -0.191 44.913 45.100 0.006 0.000 0.882 237 G HN 0.515 nan 8.290 nan 0.000 0.497 238 H N 0.386 119.517 119.070 0.103 0.000 3.004 238 H HA 0.370 4.926 4.556 -0.001 0.000 0.316 238 H C 0.870 176.085 175.328 -0.188 0.000 1.014 238 H CA 0.490 56.488 56.048 -0.083 0.000 1.454 238 H CB 0.630 30.352 29.762 -0.068 0.000 1.472 238 H HN 0.362 nan 8.280 nan 0.000 0.571 239 K N 3.416 123.679 120.400 -0.227 0.000 2.172 239 K HA 0.385 4.705 4.320 -0.001 0.000 0.276 239 K C -0.961 175.328 176.600 -0.518 0.000 1.013 239 K CA -0.344 55.845 56.287 -0.163 0.000 0.913 239 K CB 1.076 33.557 32.500 -0.032 0.000 1.055 239 K HN 0.325 nan 8.250 nan 0.000 0.461 240 F N 0.493 120.506 119.950 0.105 0.000 2.613 240 F HA 0.108 4.634 4.527 -0.001 0.000 0.314 240 F C 0.642 176.463 175.800 0.035 0.000 1.075 240 F CA -1.100 56.930 58.000 0.050 0.000 0.945 240 F CB 1.354 40.365 39.000 0.018 0.000 1.310 240 F HN 0.587 nan 8.300 nan 0.000 0.467 241 D N -0.801 119.701 120.400 0.170 0.000 2.325 241 D HA -0.044 4.595 4.640 -0.001 0.000 0.234 241 D C -0.156 175.862 176.300 -0.469 0.000 1.122 241 D CA 0.041 54.016 54.000 -0.041 0.000 0.850 241 D CB -0.688 40.115 40.800 0.005 0.000 0.921 241 D HN 0.516 nan 8.370 nan 0.000 0.513 242 D N 0.970 121.227 120.400 -0.239 0.000 2.741 242 D HA -0.057 4.583 4.640 -0.001 0.000 0.233 242 D C 0.189 176.333 176.300 -0.259 0.000 1.160 242 D CA -0.686 53.115 54.000 -0.333 0.000 1.003 242 D CB -0.547 40.157 40.800 -0.160 0.000 1.064 242 D HN 0.336 nan 8.370 nan 0.000 0.503 243 Y N -1.006 119.265 120.300 -0.049 0.000 2.490 243 Y HA 0.235 4.785 4.550 -0.001 0.000 0.281 243 Y C 0.458 176.314 175.900 -0.073 0.000 1.174 243 Y CA -0.858 57.252 58.100 0.018 0.000 1.295 243 Y CB -0.675 37.876 38.460 0.151 0.000 1.062 243 Y HN -0.074 nan 8.280 nan 0.000 0.522 244 Q N 2.031 121.641 119.800 -0.317 0.000 2.286 244 Q HA 0.454 4.793 4.340 -0.001 0.000 0.267 244 Q C -0.128 175.632 176.000 -0.399 0.000 1.028 244 Q CA 0.260 55.624 55.803 -0.731 0.000 0.901 244 Q CB 1.016 28.564 28.738 -1.984 0.000 1.183 244 Q HN 0.457 nan 8.270 nan 0.000 0.392 245 A N 2.943 125.701 122.820 -0.104 0.000 2.404 245 A HA 0.578 4.898 4.320 -0.001 0.000 0.273 245 A C 0.720 178.331 177.584 0.045 0.000 1.144 245 A CA 0.021 52.070 52.037 0.020 0.000 0.806 245 A CB 0.101 19.168 19.000 0.112 0.000 1.080 245 A HN 0.756 nan 8.150 nan 0.000 0.509 246 G N 0.712 109.554 108.800 0.069 0.000 2.611 246 G HA2 0.348 4.307 3.960 -0.001 0.000 0.273 246 G HA3 0.348 4.307 3.960 -0.001 0.000 0.273 246 G C 0.602 175.521 174.900 0.032 0.000 1.305 246 G CA -0.432 44.722 45.100 0.090 0.000 1.010 246 G HN 0.649 nan 8.290 nan 0.000 0.509 247 F N 0.011 119.955 119.950 -0.011 0.000 2.095 247 F HA -0.132 4.395 4.527 -0.001 0.000 0.298 247 F C 2.961 178.666 175.800 -0.159 0.000 1.104 247 F CA 1.841 59.766 58.000 -0.126 0.000 1.232 247 F CB 0.165 39.017 39.000 -0.248 0.000 0.987 247 F HN 0.448 nan 8.300 nan 0.000 0.475 248 R N 0.665 121.192 120.500 0.044 0.000 2.307 248 R HA -0.042 4.298 4.340 -0.001 0.000 0.199 248 R C 0.613 176.903 176.300 -0.017 0.000 1.000 248 R CA 0.752 56.815 56.100 -0.061 0.000 1.023 248 R CB -0.498 29.736 30.300 -0.111 0.000 0.908 248 R HN 0.333 nan 8.270 nan 0.000 0.473 249 Q N 0.468 120.277 119.800 0.015 0.000 2.268 249 Q HA 0.274 4.614 4.340 -0.001 0.000 0.289 249 Q C 0.209 176.240 176.000 0.052 0.000 0.893 249 Q CA 0.152 55.974 55.803 0.031 0.000 1.057 249 Q CB 1.436 30.190 28.738 0.027 0.000 1.173 249 Q HN 0.605 nan 8.270 nan 0.000 0.449 250 G N -0.131 108.690 108.800 0.035 0.000 2.254 250 G HA2 -0.314 3.646 3.960 -0.001 0.000 0.225 250 G HA3 -0.314 3.646 3.960 -0.001 0.000 0.225 250 G C 0.881 175.745 174.900 -0.060 0.000 1.003 250 G CA -0.105 45.004 45.100 0.014 0.000 0.622 250 G HN 0.530 nan 8.290 nan 0.000 0.507 251 G N 0.766 109.554 108.800 -0.020 0.000 2.418 251 G HA2 0.225 4.185 3.960 -0.001 0.000 0.217 251 G HA3 0.225 4.185 3.960 -0.001 0.000 0.217 251 G C 1.813 176.706 174.900 -0.012 0.000 1.158 251 G CA 2.112 47.192 45.100 -0.033 0.000 0.771 251 G HN 1.468 nan 8.290 nan 0.000 0.545 252 G N 0.512 109.377 108.800 0.108 0.000 2.433 252 G HA2 -0.162 3.797 3.960 -0.001 0.000 0.216 252 G HA3 -0.162 3.797 3.960 -0.001 0.000 0.216 252 G C 1.768 176.638 174.900 -0.049 0.000 1.186 252 G CA 1.307 46.496 45.100 0.148 0.000 0.779 252 G HN 0.310 nan 8.290 nan 0.000 0.543 253 V N 1.638 121.485 119.914 -0.113 0.000 2.490 253 V HA -0.090 4.029 4.120 -0.001 0.000 0.250 253 V C 3.283 179.284 176.094 -0.154 0.000 1.061 253 V CA 1.763 63.963 62.300 -0.166 0.000 1.064 253 V CB -0.791 30.939 31.823 -0.155 0.000 0.670 253 V HN 0.491 nan 8.190 nan 0.000 0.461 254 A N 0.375 123.046 122.820 -0.247 0.000 1.883 254 A HA -0.207 4.112 4.320 -0.001 0.000 0.217 254 A C 2.174 179.557 177.584 -0.335 0.000 1.186 254 A CA 2.094 53.863 52.037 -0.447 0.000 0.624 254 A CB -0.547 17.835 19.000 -1.029 0.000 0.822 254 A HN 0.493 nan 8.150 nan 0.000 0.444 255 I N -0.145 120.308 120.570 -0.196 0.000 2.163 255 I HA -0.304 3.866 4.170 -0.001 0.000 0.243 255 I C 2.992 179.107 176.117 -0.004 0.000 1.085 255 I CA 1.237 62.547 61.300 0.016 0.000 1.347 255 I CB -0.372 37.724 38.000 0.160 0.000 1.044 255 I HN 0.351 nan 8.210 nan 0.000 0.408 256 A N 0.631 123.435 122.820 -0.027 0.000 1.883 256 A HA -0.223 4.097 4.320 -0.001 0.000 0.217 256 A C 2.538 180.213 177.584 0.152 0.000 1.186 256 A CA 2.145 54.197 52.037 0.024 0.000 0.624 256 A CB -1.088 17.852 19.000 -0.099 0.000 0.822 256 A HN 0.444 nan 8.150 nan 0.000 0.444 257 A N -0.489 122.405 122.820 0.123 0.000 1.902 257 A HA -0.045 4.275 4.320 -0.001 0.000 0.217 257 A C 2.187 179.752 177.584 -0.031 0.000 1.181 257 A CA 1.557 53.654 52.037 0.099 0.000 0.623 257 A CB -0.596 18.431 19.000 0.045 0.000 0.818 257 A HN 0.482 nan 8.150 nan 0.000 0.443 258 L N -0.981 120.212 121.223 -0.051 0.000 2.093 258 L HA -0.149 4.191 4.340 -0.001 0.000 0.208 258 L C 3.067 179.931 176.870 -0.010 0.000 1.085 258 L CA 0.942 55.744 54.840 -0.063 0.000 0.755 258 L CB -0.476 41.605 42.059 0.037 0.000 0.904 258 L HN 0.435 nan 8.230 nan 0.000 0.435 259 A N -0.024 122.803 122.820 0.011 0.000 1.898 259 A HA -0.111 4.209 4.320 -0.001 0.000 0.216 259 A C 2.513 180.099 177.584 0.003 0.000 1.181 259 A CA 1.572 53.612 52.037 0.006 0.000 0.620 259 A CB -0.611 18.368 19.000 -0.034 0.000 0.819 259 A HN 0.378 nan 8.150 nan 0.000 0.442 260 A N -0.140 122.682 122.820 0.005 0.000 1.930 260 A HA 0.219 4.539 4.320 -0.001 0.000 0.217 260 A C 2.464 180.007 177.584 -0.068 0.000 1.175 260 A CA 1.841 53.858 52.037 -0.032 0.000 0.627 260 A CB -0.925 18.039 19.000 -0.060 0.000 0.815 260 A HN 1.019 nan 8.150 nan 0.000 0.443 261 A N 0.447 123.200 122.820 -0.113 0.000 1.972 261 A HA -0.086 4.233 4.320 -0.001 0.000 0.219 261 A C 2.398 179.977 177.584 -0.009 0.000 1.169 261 A CA 2.129 54.060 52.037 -0.177 0.000 0.635 261 A CB -0.920 17.780 19.000 -0.501 0.000 0.810 261 A HN 1.046 nan 8.150 nan 0.000 0.446 262 S N -0.733 115.013 115.700 0.076 0.000 2.547 262 S HA -0.047 4.423 4.470 -0.001 0.000 0.235 262 S C 1.621 176.284 174.600 0.105 0.000 0.980 262 S CA 0.826 59.139 58.200 0.189 0.000 0.941 262 S CB -0.337 62.963 63.200 0.166 0.000 0.763 262 S HN 0.604 nan 8.310 nan 0.000 0.532 263 R N 0.029 120.558 120.500 0.049 0.000 2.317 263 R HA 0.372 4.712 4.340 -0.001 0.000 0.208 263 R C -0.023 176.293 176.300 0.026 0.000 0.914 263 R CA -0.082 56.033 56.100 0.024 0.000 1.060 263 R CB -0.067 30.230 30.300 -0.006 0.000 1.015 263 R HN 0.419 nan 8.270 nan 0.000 0.498 264 L N -0.829 120.421 121.223 0.046 0.000 2.418 264 L HA 0.187 4.527 4.340 -0.001 0.000 0.265 264 L C 1.704 178.612 176.870 0.064 0.000 1.143 264 L CA -0.202 54.663 54.840 0.041 0.000 0.809 264 L CB 1.082 43.165 42.059 0.041 0.000 1.124 264 L HN 0.117 nan 8.230 nan 0.000 0.456 265 G N 1.584 110.407 108.800 0.039 0.000 2.534 265 G HA2 0.073 4.032 3.960 -0.001 0.000 0.217 265 G HA3 0.073 4.032 3.960 -0.001 0.000 0.217 265 G C 0.350 175.274 174.900 0.041 0.000 1.128 265 G CA 0.639 45.762 45.100 0.038 0.000 0.784 265 G HN 0.416 nan 8.290 nan 0.000 0.542 266 V N -2.036 117.900 119.914 0.037 0.000 2.919 266 V HA 0.867 4.987 4.120 -0.001 0.000 0.316 266 V C -0.611 175.538 176.094 0.090 0.000 1.077 266 V CA -1.298 60.997 62.300 -0.009 0.000 0.977 266 V CB 1.626 33.420 31.823 -0.047 0.000 1.039 266 V HN 0.491 nan 8.190 nan 0.000 0.441 267 H N 0.570 119.699 119.070 0.098 0.000 2.907 267 H HA 0.922 5.478 4.556 -0.001 0.000 0.361 267 H C 0.234 175.652 175.328 0.151 0.000 1.194 267 H CA -0.120 56.036 56.048 0.179 0.000 1.152 267 H CB 1.360 31.197 29.762 0.124 0.000 1.867 267 H HN 0.921 nan 8.280 nan 0.000 0.561 268 G N -0.522 108.553 108.800 0.458 0.000 2.783 268 G HA2 0.029 3.989 3.960 -0.001 0.000 0.182 268 G HA3 0.029 3.989 3.960 -0.001 0.000 0.182 268 G C 0.667 175.710 174.900 0.239 0.000 1.516 268 G CA -0.019 45.260 45.100 0.299 0.000 1.079 268 G HN 0.807 nan 8.290 nan 0.000 0.573 269 E N -1.269 118.956 120.200 0.042 0.000 2.118 269 E HA -0.101 4.248 4.350 -0.001 0.000 0.195 269 E C -0.161 176.218 176.600 -0.370 0.000 0.992 269 E CA 0.780 57.047 56.400 -0.222 0.000 0.804 269 E CB -0.076 29.342 29.700 -0.471 0.000 0.741 269 E HN 0.385 nan 8.360 nan 0.000 0.458 270 Y N 1.199 121.449 120.300 -0.083 0.000 2.387 270 Y HA 0.151 4.700 4.550 -0.001 0.000 0.330 270 Y C 0.472 175.922 175.900 -0.750 0.000 1.133 270 Y CA -1.349 56.522 58.100 -0.381 0.000 1.152 270 Y CB 0.735 38.942 38.460 -0.423 0.000 1.215 270 Y HN 0.011 nan 8.280 nan 0.000 0.466 271 D N 0.323 120.316 120.400 -0.680 0.000 2.433 271 D HA 0.061 4.701 4.640 -0.001 0.000 0.255 271 D C 0.333 176.254 176.300 -0.631 0.000 1.226 271 D CA -0.370 53.079 54.000 -0.918 0.000 1.015 271 D CB 0.634 40.997 40.800 -0.728 0.000 1.091 271 D HN 0.531 nan 8.370 nan 0.000 0.527 272 Q N -0.849 118.799 119.800 -0.253 0.000 2.124 272 Q HA -0.179 4.161 4.340 -0.001 0.000 0.202 272 Q C 2.091 178.083 176.000 -0.014 0.000 0.977 272 Q CA 1.751 57.564 55.803 0.017 0.000 0.850 272 Q CB -0.294 28.504 28.738 0.101 0.000 0.901 272 Q HN 0.669 nan 8.270 nan 0.000 0.429 273 Q N 0.361 120.112 119.800 -0.081 0.000 2.119 273 Q HA -0.225 4.115 4.340 -0.001 0.000 0.201 273 Q C 1.758 177.718 176.000 -0.066 0.000 0.972 273 Q CA 1.393 57.167 55.803 -0.048 0.000 0.847 273 Q CB 0.053 28.760 28.738 -0.051 0.000 0.903 273 Q HN 0.089 nan 8.270 nan 0.000 0.433 274 K N -0.407 119.894 120.400 -0.166 0.000 2.057 274 K HA -0.173 4.146 4.320 -0.001 0.000 0.207 274 K C 1.654 178.205 176.600 -0.082 0.000 1.049 274 K CA 1.546 57.727 56.287 -0.176 0.000 0.931 274 K CB -0.371 31.971 32.500 -0.264 0.000 0.714 274 K HN 0.252 nan 8.250 nan 0.000 0.440 275 Y N 0.683 120.969 120.300 -0.025 0.000 2.114 275 Y HA -0.118 4.432 4.550 -0.001 0.000 0.284 275 Y C 2.512 178.416 175.900 0.007 0.000 1.143 275 Y CA 1.623 59.719 58.100 -0.007 0.000 1.135 275 Y CB -0.769 37.702 38.460 0.018 0.000 0.980 275 Y HN 0.112 nan 8.280 nan 0.000 0.499 276 R N 0.543 121.147 120.500 0.173 0.000 2.081 276 R HA -0.179 4.160 4.340 -0.001 0.000 0.235 276 R C 1.817 178.175 176.300 0.098 0.000 1.131 276 R CA 1.940 58.104 56.100 0.107 0.000 0.960 276 R CB -0.367 29.982 30.300 0.080 0.000 0.856 276 R HN 0.503 nan 8.270 nan 0.000 0.436 277 N N -0.266 118.478 118.700 0.073 0.000 2.142 277 N HA -0.122 4.617 4.740 -0.001 0.000 0.186 277 N C 1.779 177.330 175.510 0.067 0.000 1.023 277 N CA 0.916 54.007 53.050 0.069 0.000 0.852 277 N CB -0.121 38.380 38.487 0.024 0.000 0.998 277 N HN 0.257 nan 8.380 nan 0.000 0.424 278 A N 1.259 124.104 122.820 0.041 0.000 1.908 278 A HA -0.072 4.248 4.320 -0.001 0.000 0.218 278 A C 2.315 179.979 177.584 0.132 0.000 1.181 278 A CA 1.779 53.831 52.037 0.025 0.000 0.627 278 A CB -0.822 18.196 19.000 0.030 0.000 0.818 278 A HN 0.358 nan 8.150 nan 0.000 0.445 279 A N -0.359 122.561 122.820 0.167 0.000 1.873 279 A HA -0.141 4.178 4.320 -0.001 0.000 0.215 279 A C 1.956 179.653 177.584 0.189 0.000 1.186 279 A CA 1.545 53.691 52.037 0.180 0.000 0.616 279 A CB -0.516 18.542 19.000 0.096 0.000 0.823 279 A HN 0.620 nan 8.150 nan 0.000 0.442 280 E N 0.036 120.351 120.200 0.193 0.000 2.031 280 E HA -0.192 4.158 4.350 -0.001 0.000 0.193 280 E C 1.849 178.710 176.600 0.435 0.000 0.994 280 E CA 1.252 57.856 56.400 0.339 0.000 0.800 280 E CB -0.268 29.664 29.700 0.386 0.000 0.752 280 E HN 0.548 nan 8.360 nan 0.000 0.447 281 N N 0.482 119.359 118.700 0.295 0.000 2.069 281 N HA -0.130 4.610 4.740 -0.001 0.000 0.191 281 N C 1.945 177.589 175.510 0.224 0.000 1.031 281 N CA 1.343 54.542 53.050 0.248 0.000 0.852 281 N CB -0.794 37.743 38.487 0.083 0.000 1.018 281 N HN 0.223 nan 8.380 nan 0.000 0.423 282 G N -0.089 108.799 108.800 0.146 0.000 2.440 282 G HA2 -0.298 3.662 3.960 -0.001 0.000 0.218 282 G HA3 -0.298 3.662 3.960 -0.001 0.000 0.218 282 G C 1.530 176.572 174.900 0.237 0.000 1.154 282 G CA 0.697 45.891 45.100 0.155 0.000 0.767 282 G HN 0.361 nan 8.290 nan 0.000 0.552 283 Y N 0.143 120.523 120.300 0.134 0.000 2.133 283 Y HA -0.107 4.442 4.550 -0.001 0.000 0.287 283 Y C 2.521 178.426 175.900 0.009 0.000 1.134 283 Y CA 1.604 59.721 58.100 0.029 0.000 1.133 283 Y CB -0.326 38.031 38.460 -0.172 0.000 0.987 283 Y HN 0.292 nan 8.280 nan 0.000 0.502 284 W N -1.017 120.454 121.300 0.284 0.000 2.467 284 W HA -0.092 4.568 4.660 -0.000 0.000 0.275 284 W C 2.495 179.061 176.519 0.078 0.000 1.239 284 W CA 1.338 58.778 57.345 0.159 0.000 1.266 284 W CB -0.630 28.974 29.460 0.240 0.000 1.112 284 W HN 0.239 nan 8.180 nan 0.000 0.576 285 H N 0.318 119.525 119.070 0.228 0.000 2.321 285 H HA -0.165 4.391 4.556 -0.001 0.000 0.300 285 H C 2.049 177.456 175.328 0.133 0.000 1.087 285 H CA 2.301 58.482 56.048 0.221 0.000 1.319 285 H CB -0.322 29.536 29.762 0.162 0.000 1.379 285 H HN 0.046 nan 8.280 nan 0.000 0.501 286 L N 0.002 121.217 121.223 -0.014 0.000 2.109 286 L HA -0.124 4.215 4.340 -0.001 0.000 0.207 286 L C 2.600 179.261 176.870 -0.349 0.000 1.086 286 L CA 0.754 55.373 54.840 -0.367 0.000 0.760 286 L CB -0.295 41.129 42.059 -1.058 0.000 0.910 286 L HN 0.229 nan 8.230 nan 0.000 0.437 287 K N 0.140 120.403 120.400 -0.228 0.000 2.059 287 K HA -0.225 4.095 4.320 -0.001 0.000 0.212 287 K C 2.010 178.592 176.600 -0.030 0.000 1.050 287 K CA 1.496 57.780 56.287 -0.004 0.000 0.927 287 K CB -0.105 32.420 32.500 0.042 0.000 0.714 287 K HN 0.290 nan 8.250 nan 0.000 0.447 288 E N -0.404 119.724 120.200 -0.121 0.000 2.072 288 E HA -0.138 4.211 4.350 -0.001 0.000 0.191 288 E C 1.614 177.899 176.600 -0.525 0.000 0.985 288 E CA 1.417 57.610 56.400 -0.345 0.000 0.801 288 E CB -0.057 29.333 29.700 -0.515 0.000 0.750 288 E HN 0.511 nan 8.360 nan 0.000 0.452 289 H N -1.344 117.510 119.070 -0.361 0.000 2.986 289 H HA 0.129 4.684 4.556 -0.001 0.000 0.267 289 H C 1.525 176.473 175.328 -0.634 0.000 1.072 289 H CA 0.083 55.806 56.048 -0.542 0.000 1.202 289 H CB 0.354 29.655 29.762 -0.769 0.000 1.535 289 H HN 0.002 nan 8.280 nan 0.000 0.522 290 N N 0.776 119.293 118.700 -0.305 0.000 2.049 290 N HA -0.217 4.523 4.740 -0.001 0.000 0.198 290 N C 2.063 177.452 175.510 -0.202 0.000 1.030 290 N CA 2.568 55.479 53.050 -0.233 0.000 0.870 290 N CB -0.247 38.204 38.487 -0.060 0.000 1.045 290 N HN 0.447 nan 8.380 nan 0.000 0.434 291 T N -2.326 112.139 114.554 -0.149 0.000 2.977 291 T HA -0.104 4.245 4.350 -0.001 0.000 0.271 291 T C 1.523 176.141 174.700 -0.137 0.000 1.105 291 T CA 1.093 63.133 62.100 -0.101 0.000 1.116 291 T CB -0.375 68.452 68.868 -0.068 0.000 0.878 291 T HN 0.377 nan 8.240 nan 0.000 0.509 292 Q N -0.506 119.138 119.800 -0.260 0.000 2.369 292 Q HA 0.021 4.361 4.340 -0.001 0.000 0.206 292 Q C 1.044 176.982 176.000 -0.104 0.000 0.963 292 Q CA 0.930 56.588 55.803 -0.243 0.000 0.894 292 Q CB -0.110 28.413 28.738 -0.358 0.000 0.965 292 Q HN 0.651 nan 8.270 nan 0.000 0.475 293 Y N -0.248 120.002 120.300 -0.084 0.000 2.449 293 Y HA 0.237 4.786 4.550 -0.001 0.000 0.254 293 Y C 0.502 176.345 175.900 -0.095 0.000 1.140 293 Y CA -0.437 57.596 58.100 -0.112 0.000 1.272 293 Y CB 0.271 38.660 38.460 -0.119 0.000 1.114 293 Y HN -0.039 nan 8.280 nan 0.000 0.525 294 L N 0.799 122.048 121.223 0.044 0.000 2.312 294 L HA 0.257 4.597 4.340 -0.001 0.000 0.281 294 L C 1.133 177.979 176.870 -0.041 0.000 1.070 294 L CA -0.191 54.641 54.840 -0.013 0.000 0.805 294 L CB 0.966 43.005 42.059 -0.032 0.000 1.174 294 L HN 0.156 nan 8.230 nan 0.000 0.434 295 N N 1.739 120.401 118.700 -0.064 0.000 2.188 295 N HA -0.156 4.584 4.740 -0.001 0.000 0.184 295 N C 0.631 176.096 175.510 -0.075 0.000 1.018 295 N CA 1.460 54.469 53.050 -0.069 0.000 0.858 295 N CB 0.141 38.589 38.487 -0.066 0.000 0.989 295 N HN 0.752 nan 8.380 nan 0.000 0.426 296 D N -0.571 119.771 120.400 -0.097 0.000 2.339 296 D HA 0.091 4.730 4.640 -0.001 0.000 0.217 296 D C 1.203 177.468 176.300 -0.059 0.000 1.050 296 D CA 0.303 54.254 54.000 -0.082 0.000 0.856 296 D CB -0.203 40.530 40.800 -0.111 0.000 0.922 296 D HN 0.221 nan 8.370 nan 0.000 0.518 297 G N 0.188 108.954 108.800 -0.057 0.000 2.168 297 G HA2 -0.335 3.625 3.960 -0.001 0.000 0.263 297 G HA3 -0.335 3.625 3.960 -0.001 0.000 0.263 297 G C -0.013 174.866 174.900 -0.035 0.000 0.977 297 G CA 0.439 45.512 45.100 -0.046 0.000 0.659 297 G HN 0.568 nan 8.290 nan 0.000 0.533 298 E N 0.536 120.714 120.200 -0.037 0.000 2.218 298 E HA 0.386 4.736 4.350 -0.001 0.000 0.263 298 E C -0.043 176.552 176.600 -0.008 0.000 0.879 298 E CA -0.635 55.757 56.400 -0.014 0.000 0.762 298 E CB 0.854 30.553 29.700 -0.001 0.000 1.166 298 E HN 0.481 nan 8.360 nan 0.000 0.415 299 E N 2.760 122.974 120.200 0.023 0.000 2.384 299 E HA 0.022 4.372 4.350 -0.001 0.000 0.266 299 E C -0.127 176.495 176.600 0.036 0.000 1.012 299 E CA 0.176 56.600 56.400 0.042 0.000 0.901 299 E CB 0.536 30.302 29.700 0.111 0.000 0.967 299 E HN 0.476 nan 8.360 nan 0.000 0.435 300 N N 2.056 120.760 118.700 0.007 0.000 3.184 300 N HA 0.146 4.886 4.740 -0.001 0.000 0.353 300 N C 0.646 176.114 175.510 -0.069 0.000 1.441 300 N CA -0.729 52.338 53.050 0.029 0.000 0.723 300 N CB 0.162 38.732 38.487 0.138 0.000 1.547 300 N HN 0.467 nan 8.380 nan 0.000 0.624 301 I N -0.127 120.391 120.570 -0.086 0.000 2.248 301 I HA -0.206 3.963 4.170 -0.001 0.000 0.248 301 I C 1.391 177.147 176.117 -0.603 0.000 1.107 301 I CA 1.444 62.593 61.300 -0.253 0.000 1.373 301 I CB -0.129 37.715 38.000 -0.259 0.000 1.055 301 I HN 0.495 nan 8.210 nan 0.000 0.418 302 I N 0.391 120.593 120.570 -0.614 0.000 2.252 302 I HA -0.286 3.884 4.170 -0.001 0.000 0.245 302 I C 2.069 177.656 176.117 -0.884 0.000 1.102 302 I CA 1.334 62.004 61.300 -1.051 0.000 1.385 302 I CB -0.843 36.919 38.000 -0.398 0.000 1.064 302 I HN 0.274 nan 8.210 nan 0.000 0.414 303 D N 1.115 121.238 120.400 -0.462 0.000 2.104 303 D HA -0.203 4.436 4.640 -0.001 0.000 0.194 303 D C 2.031 177.969 176.300 -0.603 0.000 0.994 303 D CA 1.597 55.378 54.000 -0.364 0.000 0.830 303 D CB -0.114 40.604 40.800 -0.137 0.000 0.959 303 D HN 0.487 nan 8.370 nan 0.000 0.452 304 E N 0.056 119.978 120.200 -0.463 0.000 2.047 304 E HA -0.186 4.164 4.350 -0.001 0.000 0.191 304 E C 2.238 178.601 176.600 -0.395 0.000 0.987 304 E CA 0.970 57.177 56.400 -0.321 0.000 0.799 304 E CB -0.277 29.404 29.700 -0.032 0.000 0.752 304 E HN 0.494 nan 8.360 nan 0.000 0.449 305 Y N -0.411 119.674 120.300 -0.359 0.000 2.293 305 Y HA -0.126 4.423 4.550 -0.001 0.000 0.291 305 Y C 2.083 177.735 175.900 -0.413 0.000 1.137 305 Y CA 0.229 58.104 58.100 -0.374 0.000 1.202 305 Y CB -1.096 37.128 38.460 -0.392 0.000 0.990 305 Y HN 0.002 nan 8.280 nan 0.000 0.537 306 C N 1.193 120.290 119.300 -0.339 0.000 2.446 306 C HA 0.065 4.525 4.460 -0.001 0.000 0.277 306 C C 3.205 177.900 174.990 -0.492 0.000 1.275 306 C CA 1.215 60.047 59.018 -0.311 0.000 1.727 306 C CB -1.528 26.061 27.740 -0.253 0.000 2.010 306 C HN 0.771 nan 8.230 nan 0.000 0.486 307 A N 0.053 122.304 122.820 -0.948 0.000 1.969 307 A HA -0.083 4.237 4.320 -0.001 0.000 0.218 307 A C 2.011 178.973 177.584 -1.037 0.000 1.169 307 A CA 1.325 52.461 52.037 -1.500 0.000 0.635 307 A CB -0.516 16.547 19.000 -3.228 0.000 0.810 307 A HN 0.503 nan 8.150 nan 0.000 0.445 308 L N -0.294 120.498 121.223 -0.719 0.000 2.056 308 L HA -0.031 4.308 4.340 -0.001 0.000 0.207 308 L C 2.197 178.950 176.870 -0.195 0.000 1.078 308 L CA 1.466 56.136 54.840 -0.283 0.000 0.749 308 L CB -0.506 41.475 42.059 -0.131 0.000 0.901 308 L HN 0.384 nan 8.230 nan 0.000 0.433 309 L N -0.575 120.495 121.223 -0.256 0.000 2.012 309 L HA -0.234 4.106 4.340 -0.001 0.000 0.210 309 L C 2.686 179.447 176.870 -0.181 0.000 1.073 309 L CA 1.366 56.056 54.840 -0.249 0.000 0.748 309 L CB -0.940 40.844 42.059 -0.458 0.000 0.891 309 L HN 0.410 nan 8.230 nan 0.000 0.431 310 A N 0.190 122.878 122.820 -0.220 0.000 1.883 310 A HA -0.248 4.072 4.320 -0.001 0.000 0.217 310 A C 2.503 179.943 177.584 -0.239 0.000 1.186 310 A CA 2.371 54.315 52.037 -0.156 0.000 0.624 310 A CB -0.766 18.218 19.000 -0.027 0.000 0.822 310 A HN 0.554 nan 8.150 nan 0.000 0.444 311 S N -0.712 114.827 115.700 -0.269 0.000 2.387 311 S HA -0.068 4.402 4.470 -0.001 0.000 0.226 311 S C 1.754 176.324 174.600 -0.051 0.000 1.026 311 S CA 1.151 59.191 58.200 -0.267 0.000 0.972 311 S CB -0.832 62.319 63.200 -0.083 0.000 0.814 311 S HN 0.222 nan 8.310 nan 0.000 0.477 312 V N 2.644 122.571 119.914 0.022 0.000 2.255 312 V HA -0.149 3.971 4.120 -0.001 0.000 0.247 312 V C 2.976 179.151 176.094 0.136 0.000 1.051 312 V CA 2.086 64.464 62.300 0.130 0.000 1.018 312 V CB -0.695 31.214 31.823 0.144 0.000 0.641 312 V HN 0.461 nan 8.190 nan 0.000 0.445 313 E N -0.122 120.120 120.200 0.070 0.000 2.110 313 E HA -0.170 4.180 4.350 -0.001 0.000 0.193 313 E C 2.222 178.796 176.600 -0.044 0.000 0.988 313 E CA 1.070 57.508 56.400 0.062 0.000 0.804 313 E CB -0.347 29.418 29.700 0.108 0.000 0.745 313 E HN 0.511 nan 8.360 nan 0.000 0.458 314 L N -0.014 121.092 121.223 -0.194 0.000 2.046 314 L HA -0.178 4.162 4.340 -0.001 0.000 0.208 314 L C 2.449 179.141 176.870 -0.298 0.000 1.077 314 L CA 1.017 55.577 54.840 -0.466 0.000 0.747 314 L CB -0.378 41.020 42.059 -1.101 0.000 0.896 314 L HN 0.068 nan 8.230 nan 0.000 0.432 315 F N 0.805 120.663 119.950 -0.154 0.000 2.134 315 F HA -0.226 4.301 4.527 -0.001 0.000 0.299 315 F C 2.460 178.288 175.800 0.047 0.000 1.097 315 F CA 1.616 59.659 58.000 0.071 0.000 1.264 315 F CB -0.131 38.947 39.000 0.129 0.000 1.001 315 F HN -0.137 nan 8.300 nan 0.000 0.479 316 K N -0.048 120.361 120.400 0.015 0.000 2.097 316 K HA -0.106 4.214 4.320 -0.001 0.000 0.206 316 K C 2.265 178.795 176.600 -0.117 0.000 1.049 316 K CA 1.117 57.361 56.287 -0.073 0.000 0.933 316 K CB -0.447 32.079 32.500 0.044 0.000 0.717 316 K HN 0.360 nan 8.250 nan 0.000 0.442 317 A N 0.874 123.643 122.820 -0.085 0.000 1.897 317 A HA -0.120 4.200 4.320 -0.001 0.000 0.215 317 A C 2.182 179.730 177.584 -0.061 0.000 1.181 317 A CA 2.050 54.050 52.037 -0.062 0.000 0.620 317 A CB -0.536 18.434 19.000 -0.050 0.000 0.821 317 A HN 0.456 nan 8.150 nan 0.000 0.443 318 T N -6.057 108.456 114.554 -0.069 0.000 3.023 318 T HA 0.159 4.509 4.350 -0.001 0.000 0.249 318 T C 0.954 175.633 174.700 -0.035 0.000 1.050 318 T CA 0.783 62.890 62.100 0.012 0.000 1.088 318 T CB 0.204 69.174 68.868 0.169 0.000 0.946 318 T HN 0.296 nan 8.240 nan 0.000 0.480 319 K N 0.480 120.751 120.400 -0.214 0.000 3.529 319 K HA -0.149 4.171 4.320 -0.001 0.000 0.313 319 K C -0.416 176.125 176.600 -0.098 0.000 1.316 319 K CA 0.953 57.012 56.287 -0.380 0.000 0.988 319 K CB -1.911 30.449 32.500 -0.233 0.000 1.252 319 K HN 0.701 nan 8.250 nan 0.000 0.438 320 E N 0.842 121.128 120.200 0.145 0.000 2.415 320 E HA 0.025 4.375 4.350 -0.001 0.000 0.260 320 E C 1.025 177.858 176.600 0.387 0.000 1.016 320 E CA 0.315 56.864 56.400 0.248 0.000 0.924 320 E CB 0.441 30.303 29.700 0.270 0.000 0.961 320 E HN 0.080 nan 8.360 nan 0.000 0.459 321 T N 3.729 118.458 114.554 0.293 0.000 2.833 321 T HA -0.208 4.142 4.350 -0.001 0.000 0.269 321 T C 1.763 176.581 174.700 0.197 0.000 1.054 321 T CA 1.460 63.743 62.100 0.304 0.000 1.135 321 T CB -0.122 68.854 68.868 0.180 0.000 0.869 321 T HN 0.552 nan 8.240 nan 0.000 0.466 322 R N 0.257 120.817 120.500 0.100 0.000 2.127 322 R HA -0.150 4.189 4.340 -0.001 0.000 0.238 322 R C 1.711 178.060 176.300 0.082 0.000 1.134 322 R CA 1.665 57.789 56.100 0.041 0.000 0.975 322 R CB -0.882 29.391 30.300 -0.045 0.000 0.865 322 R HN 0.360 nan 8.270 nan 0.000 0.447 323 Y N 0.707 121.182 120.300 0.293 0.000 2.373 323 Y HA -0.020 4.530 4.550 -0.001 0.000 0.293 323 Y C 2.061 178.014 175.900 0.088 0.000 1.129 323 Y CA 0.422 58.637 58.100 0.192 0.000 1.226 323 Y CB -0.251 38.345 38.460 0.227 0.000 1.000 323 Y HN 0.070 nan 8.280 nan 0.000 0.549 324 L N 0.099 121.389 121.223 0.112 0.000 2.109 324 L HA -0.087 4.253 4.340 -0.001 0.000 0.207 324 L C 2.058 178.910 176.870 -0.030 0.000 1.086 324 L CA 1.789 56.488 54.840 -0.234 0.000 0.760 324 L CB -0.506 41.196 42.059 -0.596 0.000 0.910 324 L HN 0.002 nan 8.230 nan 0.000 0.437 325 E N -0.009 120.209 120.200 0.030 0.000 2.110 325 E HA -0.179 4.171 4.350 -0.001 0.000 0.193 325 E C 2.081 178.704 176.600 0.037 0.000 0.988 325 E CA 0.975 57.395 56.400 0.033 0.000 0.804 325 E CB -0.113 29.614 29.700 0.045 0.000 0.745 325 E HN 0.550 nan 8.360 nan 0.000 0.458 326 E N 0.493 120.758 120.200 0.107 0.000 2.110 326 E HA -0.081 4.268 4.350 -0.001 0.000 0.193 326 E C 2.174 178.858 176.600 0.139 0.000 0.988 326 E CA 0.604 57.087 56.400 0.138 0.000 0.804 326 E CB -0.211 29.646 29.700 0.261 0.000 0.745 326 E HN 0.070 nan 8.360 nan 0.000 0.458 327 S N 0.789 116.570 115.700 0.135 0.000 2.368 327 S HA -0.106 4.364 4.470 -0.001 0.000 0.225 327 S C 1.913 176.455 174.600 -0.097 0.000 1.030 327 S CA 0.841 59.111 58.200 0.115 0.000 0.999 327 S CB -0.113 63.199 63.200 0.188 0.000 0.844 327 S HN 0.240 nan 8.310 nan 0.000 0.459 328 R N 0.661 121.119 120.500 -0.070 0.000 2.091 328 R HA -0.071 4.269 4.340 -0.001 0.000 0.238 328 R C 2.424 178.592 176.300 -0.219 0.000 1.136 328 R CA 1.264 57.265 56.100 -0.165 0.000 0.959 328 R CB -0.656 29.630 30.300 -0.025 0.000 0.856 328 R HN 0.365 nan 8.270 nan 0.000 0.437 329 L N -0.203 120.883 121.223 -0.227 0.000 1.989 329 L HA -0.179 4.161 4.340 -0.001 0.000 0.211 329 L C 1.863 178.480 176.870 -0.422 0.000 1.071 329 L CA 1.716 56.331 54.840 -0.374 0.000 0.749 329 L CB -0.264 41.473 42.059 -0.536 0.000 0.890 329 L HN 0.209 nan 8.230 nan 0.000 0.431 330 W N -0.616 120.580 121.300 -0.173 0.000 2.388 330 W HA -0.066 4.593 4.660 -0.001 0.000 0.294 330 W C 2.592 178.962 176.519 -0.248 0.000 1.212 330 W CA 0.729 57.950 57.345 -0.207 0.000 1.271 330 W CB -0.429 28.899 29.460 -0.219 0.000 1.126 330 W HN 0.260 nan 8.180 nan 0.000 0.535 331 A N 0.063 122.778 122.820 -0.176 0.000 1.902 331 A HA -0.237 4.083 4.320 -0.001 0.000 0.217 331 A C 2.005 179.475 177.584 -0.190 0.000 1.181 331 A CA 1.402 53.240 52.037 -0.331 0.000 0.623 331 A CB -0.705 17.743 19.000 -0.920 0.000 0.818 331 A HN 0.217 nan 8.150 nan 0.000 0.443 332 Q N -0.351 119.338 119.800 -0.185 0.000 2.124 332 Q HA -0.124 4.216 4.340 -0.001 0.000 0.202 332 Q C 2.197 178.150 176.000 -0.077 0.000 0.977 332 Q CA 1.192 56.923 55.803 -0.120 0.000 0.850 332 Q CB -0.356 28.306 28.738 -0.128 0.000 0.901 332 Q HN 0.635 nan 8.270 nan 0.000 0.429 333 R N -0.018 120.437 120.500 -0.075 0.000 2.090 333 R HA -0.051 4.289 4.340 -0.001 0.000 0.228 333 R C 2.270 178.580 176.300 0.017 0.000 1.110 333 R CA 0.538 56.620 56.100 -0.030 0.000 0.973 333 R CB -0.347 29.948 30.300 -0.009 0.000 0.869 333 R HN 0.154 nan 8.270 nan 0.000 0.440 334 L N 1.218 122.454 121.223 0.022 0.000 2.044 334 L HA -0.114 4.226 4.340 -0.001 0.000 0.205 334 L C 2.369 179.321 176.870 0.136 0.000 1.075 334 L CA 1.417 56.277 54.840 0.033 0.000 0.747 334 L CB -0.576 41.469 42.059 -0.023 0.000 0.903 334 L HN 0.010 nan 8.230 nan 0.000 0.435 335 V N -2.051 117.921 119.914 0.097 0.000 2.469 335 V HA -0.178 3.941 4.120 -0.001 0.000 0.251 335 V C 2.423 178.558 176.094 0.068 0.000 1.064 335 V CA 1.506 63.878 62.300 0.119 0.000 1.066 335 V CB -2.039 29.803 31.823 0.031 0.000 0.667 335 V HN 0.421 nan 8.190 nan 0.000 0.461 336 A N 0.168 123.010 122.820 0.037 0.000 2.172 336 A HA -0.024 4.296 4.320 -0.001 0.000 0.216 336 A C 2.210 179.803 177.584 0.014 0.000 1.154 336 A CA 1.059 53.097 52.037 0.002 0.000 0.701 336 A CB -0.468 18.525 19.000 -0.010 0.000 0.789 336 A HN 0.511 nan 8.150 nan 0.000 0.465 337 R N -0.130 120.435 120.500 0.109 0.000 2.240 337 R HA 0.027 4.366 4.340 -0.001 0.000 0.203 337 R C 0.823 177.155 176.300 0.054 0.000 1.011 337 R CA 0.229 56.416 56.100 0.144 0.000 1.007 337 R CB -0.498 29.955 30.300 0.254 0.000 0.911 337 R HN 0.717 nan 8.270 nan 0.000 0.468 338 Q N 1.090 120.830 119.800 -0.100 0.000 2.296 338 Q HA 0.232 4.571 4.340 -0.001 0.000 0.263 338 Q C -0.705 175.027 176.000 -0.446 0.000 1.026 338 Q CA 0.406 55.885 55.803 -0.540 0.000 0.912 338 Q CB 0.430 28.731 28.738 -0.728 0.000 1.198 338 Q HN 0.019 nan 8.270 nan 0.000 0.407 339 M N 1.293 120.479 119.600 -0.689 0.000 2.631 339 M HA 0.455 4.935 4.480 -0.001 0.000 0.288 339 M C -0.968 174.904 176.300 -0.714 0.000 1.260 339 M CA -0.815 54.119 55.300 -0.611 0.000 0.842 339 M CB 2.778 35.020 32.600 -0.595 0.000 1.743 339 M HN 0.415 nan 8.290 nan 0.000 0.461 340 S N 0.373 115.890 115.700 -0.305 0.000 2.568 340 S HA 0.743 5.212 4.470 -0.001 0.000 0.302 340 S C -1.146 173.559 174.600 0.176 0.000 1.082 340 S CA -0.892 57.259 58.200 -0.081 0.000 1.009 340 S CB 1.745 64.833 63.200 -0.186 0.000 1.069 340 S HN 0.754 nan 8.310 nan 0.000 0.500 341 D N -0.122 120.448 120.400 0.283 0.000 2.989 341 D HA 0.283 4.923 4.640 -0.001 0.000 0.284 341 D C 0.398 176.733 176.300 0.058 0.000 1.212 341 D CA -0.642 53.470 54.000 0.187 0.000 1.055 341 D CB -0.123 40.831 40.800 0.256 0.000 1.351 341 D HN 0.388 nan 8.370 nan 0.000 0.611 342 E N -0.763 119.459 120.200 0.035 0.000 2.274 342 E HA -0.095 4.255 4.350 -0.001 0.000 0.194 342 E C 1.601 178.184 176.600 -0.029 0.000 0.996 342 E CA 0.949 57.349 56.400 -0.001 0.000 0.840 342 E CB 0.233 29.934 29.700 0.002 0.000 0.772 342 E HN 0.412 nan 8.360 nan 0.000 0.491 343 Q N -0.377 119.395 119.800 -0.046 0.000 2.274 343 Q HA 0.104 4.444 4.340 -0.001 0.000 0.198 343 Q C 0.546 176.440 176.000 -0.177 0.000 0.955 343 Q CA 0.547 56.286 55.803 -0.106 0.000 0.859 343 Q CB 0.929 29.604 28.738 -0.105 0.000 0.956 343 Q HN 0.084 nan 8.270 nan 0.000 0.516 344 I N 1.286 121.717 120.570 -0.233 0.000 2.509 344 I HA 0.278 4.448 4.170 -0.001 0.000 0.293 344 I C -0.434 175.645 176.117 -0.064 0.000 1.020 344 I CA -0.646 60.520 61.300 -0.224 0.000 1.088 344 I CB 1.756 39.444 38.000 -0.520 0.000 1.267 344 I HN 0.104 nan 8.210 nan 0.000 0.430 345 Q N 4.650 124.373 119.800 -0.129 0.000 2.256 345 Q HA 0.280 4.619 4.340 -0.001 0.000 0.254 345 Q C -0.307 175.499 176.000 -0.323 0.000 0.916 345 Q CA -0.314 55.282 55.803 -0.345 0.000 0.932 345 Q CB 0.897 29.346 28.738 -0.481 0.000 1.207 345 Q HN 0.530 nan 8.270 nan 0.000 0.426 346 H N 0.411 119.351 119.070 -0.217 0.000 2.826 346 H HA -0.198 4.358 4.556 -0.001 0.000 0.306 346 H C -0.150 174.680 175.328 -0.831 0.000 1.235 346 H CA 0.647 56.420 56.048 -0.458 0.000 1.150 346 H CB -2.767 26.796 29.762 -0.333 0.000 1.409 346 H HN 0.554 nan 8.280 nan 0.000 0.420 347 F N -1.903 117.608 119.950 -0.732 0.000 2.399 347 F HA 0.500 5.027 4.527 -0.001 0.000 0.313 347 F C 0.544 175.930 175.800 -0.691 0.000 1.202 347 F CA -1.244 56.108 58.000 -1.080 0.000 1.192 347 F CB 0.540 39.329 39.000 -0.351 0.000 1.256 347 F HN -0.013 nan 8.300 nan 0.000 0.558 348 W N 1.522 122.728 121.300 -0.157 0.000 2.361 348 W HA 0.507 5.166 4.660 -0.001 0.000 0.309 348 W C -0.414 176.259 176.519 0.257 0.000 1.122 348 W CA -0.792 56.554 57.345 0.002 0.000 1.208 348 W CB 1.710 31.294 29.460 0.207 0.000 1.246 348 W HN 0.732 nan 8.180 nan 0.000 0.490 349 S N 1.913 117.805 115.700 0.319 0.000 2.508 349 S HA 0.664 5.133 4.470 -0.001 0.000 0.284 349 S C 0.536 175.295 174.600 0.265 0.000 1.192 349 S CA -0.354 58.048 58.200 0.337 0.000 1.070 349 S CB 1.859 65.158 63.200 0.165 0.000 1.004 349 S HN 0.609 nan 8.310 nan 0.000 0.493 350 A N 3.170 126.120 122.820 0.216 0.000 1.855 350 A HA 0.096 4.415 4.320 -0.001 0.000 0.213 350 A C 1.183 178.829 177.584 0.103 0.000 1.195 350 A CA 1.003 53.117 52.037 0.129 0.000 0.610 350 A CB -1.096 17.870 19.000 -0.057 0.000 0.837 350 A HN 0.963 nan 8.150 nan 0.000 0.444 351 N N -0.779 117.932 118.700 0.018 0.000 2.476 351 N HA 0.175 4.914 4.740 -0.001 0.000 0.287 351 N C 0.438 175.998 175.510 0.084 0.000 1.262 351 N CA -0.149 52.961 53.050 0.099 0.000 0.980 351 N CB 0.050 38.584 38.487 0.077 0.000 1.163 351 N HN 0.350 nan 8.380 nan 0.000 0.592 352 Q N -1.346 118.500 119.800 0.076 0.000 2.137 352 Q HA -0.084 4.256 4.340 -0.001 0.000 0.198 352 Q C 0.084 176.110 176.000 0.043 0.000 0.960 352 Q CA 1.485 57.320 55.803 0.052 0.000 0.847 352 Q CB -0.084 28.680 28.738 0.042 0.000 0.915 352 Q HN 0.795 nan 8.270 nan 0.000 0.448 353 D N -1.668 118.764 120.400 0.053 0.000 2.349 353 D HA 0.070 4.709 4.640 -0.001 0.000 0.214 353 D C 1.071 177.425 176.300 0.089 0.000 1.063 353 D CA 0.781 54.813 54.000 0.054 0.000 0.847 353 D CB 0.347 41.175 40.800 0.046 0.000 0.933 353 D HN 0.262 nan 8.370 nan 0.000 0.513 354 G N 0.403 109.278 108.800 0.125 0.000 2.176 354 G HA2 -0.365 3.594 3.960 -0.001 0.000 0.253 354 G HA3 -0.365 3.594 3.960 -0.001 0.000 0.253 354 G C 1.218 176.261 174.900 0.238 0.000 0.979 354 G CA 0.830 46.094 45.100 0.273 0.000 0.641 354 G HN 0.625 nan 8.290 nan 0.000 0.530 355 S N -1.009 114.753 115.700 0.104 0.000 2.428 355 S HA 0.180 4.650 4.470 -0.001 0.000 0.230 355 S C 1.201 175.783 174.600 -0.029 0.000 1.014 355 S CA 1.069 59.287 58.200 0.031 0.000 0.957 355 S CB 0.285 63.497 63.200 0.020 0.000 0.784 355 S HN 0.467 nan 8.310 nan 0.000 0.499 356 R N 2.610 123.088 120.500 -0.036 0.000 2.320 356 R HA 0.459 4.799 4.340 -0.001 0.000 0.319 356 R C -3.242 173.052 176.300 -0.011 0.000 0.969 356 R CA -2.301 53.732 56.100 -0.113 0.000 0.857 356 R CB 1.450 31.555 30.300 -0.325 0.000 1.160 356 R HN 0.224 nan 8.270 nan 0.000 0.491 357 P HA 0.052 nan 4.420 nan 0.000 0.281 357 P C -0.918 176.614 177.300 0.385 0.000 1.249 357 P CA -0.462 62.796 63.100 0.262 0.000 0.810 357 P CB 0.625 32.299 31.700 -0.043 0.000 1.008 358 Y N 4.184 124.701 120.300 0.362 0.000 2.496 358 Y HA 0.337 4.886 4.550 -0.001 0.000 0.334 358 Y C -0.537 175.650 175.900 0.479 0.000 1.080 358 Y CA -0.172 58.118 58.100 0.316 0.000 1.355 358 Y CB -0.466 38.194 38.460 0.332 0.000 1.193 358 Y HN 0.274 nan 8.280 nan 0.000 0.523 359 F N 4.636 124.418 119.950 -0.280 0.000 2.591 359 F HA 0.570 5.096 4.527 -0.001 0.000 0.309 359 F C -1.683 173.910 175.800 -0.344 0.000 1.098 359 F CA -0.975 56.850 58.000 -0.290 0.000 0.937 359 F CB 1.659 40.633 39.000 -0.043 0.000 1.250 359 F HN 0.467 nan 8.300 nan 0.000 0.447 360 H N 2.622 121.528 119.070 -0.274 0.000 3.181 360 H HA 0.485 5.041 4.556 -0.001 0.000 0.331 360 H C 0.030 175.410 175.328 0.087 0.000 0.988 360 H CA -0.047 55.902 56.048 -0.164 0.000 1.449 360 H CB 2.299 31.918 29.762 -0.239 0.000 1.749 360 H HN 0.997 nan 8.280 nan 0.000 0.501 361 A N 3.304 126.328 122.820 0.340 0.000 2.125 361 A HA -0.013 4.306 4.320 -0.001 0.000 0.219 361 A C 1.816 179.721 177.584 0.536 0.000 1.156 361 A CA 1.818 54.131 52.037 0.460 0.000 0.671 361 A CB -0.069 19.249 19.000 0.530 0.000 0.794 361 A HN 0.623 nan 8.150 nan 0.000 0.459 362 A N -0.642 122.576 122.820 0.662 0.000 2.070 362 A HA 0.286 4.606 4.320 -0.001 0.000 0.202 362 A C 0.987 178.579 177.584 0.013 0.000 1.277 362 A CA 0.794 53.108 52.037 0.462 0.000 0.872 362 A CB 0.263 19.625 19.000 0.603 0.000 0.933 362 A HN 0.582 nan 8.150 nan 0.000 0.475 363 E N -1.120 119.003 120.200 -0.128 0.000 3.956 363 E HA 0.449 4.798 4.350 -0.001 0.000 0.177 363 E C 0.532 176.915 176.600 -0.361 0.000 1.028 363 E CA 0.321 56.437 56.400 -0.473 0.000 1.463 363 E CB -0.155 29.328 29.700 -0.363 0.000 1.145 363 E HN 0.211 nan 8.360 nan 0.000 0.423 364 A N 0.956 123.666 122.820 -0.184 0.000 2.070 364 A HA -0.000 4.320 4.320 -0.001 0.000 0.220 364 A C 2.116 179.676 177.584 -0.039 0.000 1.159 364 A CA 1.593 53.621 52.037 -0.015 0.000 0.656 364 A CB -0.587 18.436 19.000 0.038 0.000 0.800 364 A HN 0.464 nan 8.150 nan 0.000 0.453 365 G N -1.099 107.574 108.800 -0.211 0.000 2.744 365 G HA2 0.110 4.069 3.960 -0.001 0.000 0.211 365 G HA3 0.110 4.069 3.960 -0.001 0.000 0.211 365 G C 1.191 175.938 174.900 -0.254 0.000 1.143 365 G CA 0.557 45.555 45.100 -0.169 0.000 0.788 365 G HN 0.350 nan 8.290 nan 0.000 0.534 366 L N 1.121 122.071 121.223 -0.455 0.000 2.056 366 L HA 0.120 4.459 4.340 -0.001 0.000 0.207 366 L C 0.103 176.521 176.870 -0.754 0.000 1.078 366 L CA 1.282 55.733 54.840 -0.649 0.000 0.749 366 L CB -0.953 40.505 42.059 -1.002 0.000 0.901 366 L HN 0.037 nan 8.230 nan 0.000 0.433 367 P HA -0.150 nan 4.420 nan 0.000 0.214 367 P C 1.663 178.729 177.300 -0.390 0.000 1.163 367 P CA 1.906 64.543 63.100 -0.771 0.000 0.889 367 P CB -0.110 30.709 31.700 -1.467 0.000 0.790 368 T N -0.680 113.768 114.554 -0.177 0.000 2.777 368 T HA -0.074 4.275 4.350 -0.001 0.000 0.266 368 T C 1.787 176.502 174.700 0.024 0.000 1.040 368 T CA 0.967 63.093 62.100 0.044 0.000 1.141 368 T CB -0.915 68.045 68.868 0.153 0.000 0.868 368 T HN 0.033 nan 8.240 nan 0.000 0.444 369 I N 1.483 122.045 120.570 -0.014 0.000 2.118 369 I HA -0.266 3.903 4.170 -0.001 0.000 0.241 369 I C 2.898 179.035 176.117 0.034 0.000 1.070 369 I CA 1.436 62.769 61.300 0.054 0.000 1.327 369 I CB -0.481 37.567 38.000 0.081 0.000 1.034 369 I HN 0.203 nan 8.210 nan 0.000 0.405 370 A N 0.553 123.325 122.820 -0.079 0.000 1.933 370 A HA -0.135 4.185 4.320 -0.001 0.000 0.218 370 A C 2.308 179.909 177.584 0.027 0.000 1.175 370 A CA 1.275 53.273 52.037 -0.065 0.000 0.628 370 A CB -0.755 18.166 19.000 -0.132 0.000 0.814 370 A HN 0.397 nan 8.150 nan 0.000 0.444 371 L N -0.869 120.370 121.223 0.027 0.000 2.083 371 L HA -0.239 4.100 4.340 -0.001 0.000 0.209 371 L C 2.571 179.510 176.870 0.114 0.000 1.083 371 L CA 1.256 56.152 54.840 0.093 0.000 0.752 371 L CB -0.561 41.552 42.059 0.090 0.000 0.899 371 L HN 0.492 nan 8.230 nan 0.000 0.433 372 C N -0.709 118.643 119.300 0.087 0.000 2.446 372 C HA -0.062 4.397 4.460 -0.001 0.000 0.279 372 C C 2.633 177.702 174.990 0.132 0.000 1.366 372 C CA 0.050 59.116 59.018 0.080 0.000 1.763 372 C CB -0.605 27.256 27.740 0.202 0.000 1.929 372 C HN 0.475 nan 8.230 nan 0.000 0.509 373 E N 0.306 120.604 120.200 0.164 0.000 2.051 373 E HA -0.199 4.151 4.350 -0.001 0.000 0.192 373 E C 1.755 178.448 176.600 0.155 0.000 0.991 373 E CA 1.341 57.852 56.400 0.186 0.000 0.799 373 E CB -0.645 29.182 29.700 0.212 0.000 0.748 373 E HN 0.836 nan 8.360 nan 0.000 0.449 374 Y N 1.427 121.744 120.300 0.028 0.000 2.181 374 Y HA -0.154 4.396 4.550 -0.001 0.000 0.288 374 Y C 2.178 178.065 175.900 -0.021 0.000 1.146 374 Y CA 1.284 59.383 58.100 -0.002 0.000 1.164 374 Y CB -0.439 38.011 38.460 -0.017 0.000 0.982 374 Y HN -0.057 nan 8.280 nan 0.000 0.515 375 L N -0.154 120.931 121.223 -0.229 0.000 2.191 375 L HA -0.201 4.138 4.340 -0.001 0.000 0.212 375 L C 2.603 179.349 176.870 -0.206 0.000 1.103 375 L CA 1.059 55.689 54.840 -0.351 0.000 0.769 375 L CB -0.777 41.015 42.059 -0.444 0.000 0.908 375 L HN 0.394 nan 8.230 nan 0.000 0.438 376 A N 0.271 123.051 122.820 -0.066 0.000 2.119 376 A HA -0.036 4.284 4.320 -0.001 0.000 0.216 376 A C 2.004 179.590 177.584 0.004 0.000 1.152 376 A CA 1.032 53.086 52.037 0.029 0.000 0.708 376 A CB -0.401 18.659 19.000 0.100 0.000 0.805 376 A HN 0.589 nan 8.150 nan 0.000 0.460 377 I N -3.966 116.561 120.570 -0.072 0.000 4.070 377 I HA 0.308 4.477 4.170 -0.001 0.000 0.328 377 I C 0.446 176.449 176.117 -0.190 0.000 1.298 377 I CA -0.098 61.186 61.300 -0.027 0.000 1.173 377 I CB 0.251 38.292 38.000 0.069 0.000 1.051 377 I HN 0.003 nan 8.210 nan 0.000 0.409 378 E N 3.215 123.194 120.200 -0.369 0.000 2.180 378 E HA 0.030 4.379 4.350 -0.001 0.000 0.283 378 E C 0.494 176.979 176.600 -0.191 0.000 1.061 378 E CA -0.073 56.091 56.400 -0.394 0.000 0.861 378 E CB 0.596 29.848 29.700 -0.746 0.000 1.056 378 E HN 0.456 nan 8.360 nan 0.000 0.407 379 D N 2.415 122.750 120.400 -0.108 0.000 2.327 379 D HA -0.091 4.549 4.640 -0.001 0.000 0.205 379 D C -0.111 176.168 176.300 -0.035 0.000 0.989 379 D CA -0.141 53.832 54.000 -0.044 0.000 0.873 379 D CB -0.087 40.713 40.800 -0.000 0.000 0.955 379 D HN 0.440 nan 8.370 nan 0.000 0.515 380 D N 0.911 121.286 120.400 -0.042 0.000 2.382 380 D HA -0.001 4.639 4.640 -0.001 0.000 0.259 380 D C 1.215 177.503 176.300 -0.020 0.000 1.224 380 D CA 0.061 54.049 54.000 -0.020 0.000 0.894 380 D CB 1.365 42.159 40.800 -0.009 0.000 1.127 380 D HN -0.144 nan 8.370 nan 0.000 0.487 381 S N 2.509 118.203 115.700 -0.010 0.000 2.382 381 S HA -0.142 4.327 4.470 -0.001 0.000 0.228 381 S C 1.793 176.392 174.600 -0.002 0.000 1.027 381 S CA 1.193 59.390 58.200 -0.006 0.000 0.991 381 S CB -0.055 63.145 63.200 -0.000 0.000 0.823 381 S HN 0.453 nan 8.310 nan 0.000 0.469 382 V N 1.521 121.436 119.914 0.002 0.000 2.270 382 V HA -0.165 3.954 4.120 -0.001 0.000 0.245 382 V C 2.584 178.687 176.094 0.014 0.000 1.043 382 V CA 1.923 64.227 62.300 0.006 0.000 1.014 382 V CB -0.805 31.021 31.823 0.005 0.000 0.645 382 V HN 0.521 nan 8.190 nan 0.000 0.447 383 Q N -0.446 119.369 119.800 0.026 0.000 2.172 383 Q HA -0.137 4.203 4.340 -0.001 0.000 0.200 383 Q C 2.368 178.412 176.000 0.073 0.000 0.964 383 Q CA 1.738 57.578 55.803 0.063 0.000 0.855 383 Q CB -0.288 28.514 28.738 0.107 0.000 0.918 383 Q HN 0.643 nan 8.270 nan 0.000 0.444 384 T N 0.953 115.513 114.554 0.010 0.000 2.652 384 T HA -0.190 4.159 4.350 -0.001 0.000 0.267 384 T C 1.603 176.302 174.700 -0.002 0.000 1.039 384 T CA 1.576 63.660 62.100 -0.028 0.000 1.153 384 T CB -0.153 68.685 68.868 -0.051 0.000 0.863 384 T HN 0.189 nan 8.240 nan 0.000 0.428 385 E N 0.770 120.973 120.200 0.004 0.000 2.110 385 E HA -0.063 4.287 4.350 -0.001 0.000 0.193 385 E C 2.426 179.028 176.600 0.004 0.000 0.988 385 E CA 0.973 57.376 56.400 0.005 0.000 0.804 385 E CB -0.508 29.194 29.700 0.004 0.000 0.745 385 E HN 0.339 nan 8.360 nan 0.000 0.458 386 S N -1.100 114.606 115.700 0.011 0.000 2.355 386 S HA -0.102 4.368 4.470 -0.001 0.000 0.222 386 S C 1.964 176.569 174.600 0.008 0.000 1.031 386 S CA 1.262 59.464 58.200 0.004 0.000 0.993 386 S CB -0.234 62.971 63.200 0.009 0.000 0.859 386 S HN 0.153 nan 8.310 nan 0.000 0.453 387 V N 1.458 121.396 119.914 0.041 0.000 2.427 387 V HA -0.062 4.057 4.120 -0.001 0.000 0.248 387 V C 2.450 178.557 176.094 0.021 0.000 1.051 387 V CA 1.816 64.150 62.300 0.058 0.000 1.048 387 V CB -0.595 31.325 31.823 0.162 0.000 0.666 387 V HN 0.422 nan 8.190 nan 0.000 0.456 388 K N -0.131 120.269 120.400 0.000 0.000 2.211 388 K HA -0.218 4.101 4.320 -0.001 0.000 0.204 388 K C 2.109 178.706 176.600 -0.004 0.000 1.047 388 K CA 1.820 58.102 56.287 -0.008 0.000 0.935 388 K CB -0.357 32.146 32.500 0.005 0.000 0.728 388 K HN 0.747 nan 8.250 nan 0.000 0.452 389 C N -0.571 118.715 119.300 -0.023 0.000 2.673 389 C HA 0.241 4.701 4.460 -0.001 0.000 0.264 389 C C 2.039 176.969 174.990 -0.101 0.000 1.304 389 C CA -0.682 58.303 59.018 -0.055 0.000 1.727 389 C CB -0.574 27.132 27.740 -0.058 0.000 1.932 389 C HN 0.253 nan 8.230 nan 0.000 0.563 390 I N 1.608 122.132 120.570 -0.077 0.000 2.286 390 I HA -0.065 4.104 4.170 -0.001 0.000 0.245 390 I C 2.749 178.829 176.117 -0.061 0.000 1.104 390 I CA 1.228 62.464 61.300 -0.107 0.000 1.397 390 I CB -1.275 36.704 38.000 -0.035 0.000 1.072 390 I HN 0.212 nan 8.210 nan 0.000 0.417 391 V N 1.565 121.491 119.914 0.019 0.000 2.287 391 V HA -0.299 3.820 4.120 -0.001 0.000 0.248 391 V C 2.352 178.461 176.094 0.024 0.000 1.053 391 V CA 1.839 64.180 62.300 0.068 0.000 1.027 391 V CB -0.793 31.072 31.823 0.071 0.000 0.646 391 V HN 0.461 nan 8.190 nan 0.000 0.447 392 N N -0.169 118.523 118.700 -0.013 0.000 2.069 392 N HA -0.188 4.552 4.740 -0.001 0.000 0.191 392 N C 2.055 177.520 175.510 -0.074 0.000 1.031 392 N CA 1.549 54.579 53.050 -0.033 0.000 0.852 392 N CB -0.190 38.275 38.487 -0.037 0.000 1.018 392 N HN 0.474 nan 8.380 nan 0.000 0.423 393 R N 0.780 121.188 120.500 -0.153 0.000 2.096 393 R HA -0.038 4.302 4.340 -0.001 0.000 0.235 393 R C 2.328 178.555 176.300 -0.123 0.000 1.127 393 R CA 1.225 57.181 56.100 -0.240 0.000 0.968 393 R CB -0.237 29.714 30.300 -0.581 0.000 0.861 393 R HN 0.195 nan 8.270 nan 0.000 0.440 394 A N 0.554 123.307 122.820 -0.112 0.000 1.877 394 A HA -0.186 4.134 4.320 -0.001 0.000 0.216 394 A C 2.403 180.071 177.584 0.140 0.000 1.186 394 A CA 1.490 53.536 52.037 0.015 0.000 0.620 394 A CB -0.847 18.263 19.000 0.184 0.000 0.822 394 A HN 0.451 nan 8.150 nan 0.000 0.443 395 C N -0.690 118.631 119.300 0.034 0.000 2.429 395 C HA -0.080 4.380 4.460 -0.001 0.000 0.277 395 C C 2.651 177.554 174.990 -0.145 0.000 1.262 395 C CA 1.125 60.093 59.018 -0.083 0.000 1.733 395 C CB -1.330 26.359 27.740 -0.085 0.000 2.010 395 C HN 0.668 nan 8.230 nan 0.000 0.483 396 E N 0.049 120.207 120.200 -0.069 0.000 2.110 396 E HA -0.222 4.127 4.350 -0.001 0.000 0.193 396 E C 1.805 178.383 176.600 -0.037 0.000 0.988 396 E CA 1.360 57.722 56.400 -0.062 0.000 0.804 396 E CB -0.309 29.379 29.700 -0.020 0.000 0.745 396 E HN 0.788 nan 8.360 nan 0.000 0.458 397 F N 2.468 122.356 119.950 -0.102 0.000 2.095 397 F HA -0.204 4.323 4.527 -0.001 0.000 0.298 397 F C 2.019 177.759 175.800 -0.100 0.000 1.104 397 F CA 1.402 59.350 58.000 -0.086 0.000 1.232 397 F CB -0.057 38.894 39.000 -0.082 0.000 0.987 397 F HN -0.139 nan 8.300 nan 0.000 0.475 398 E N 1.096 120.944 120.200 -0.587 0.000 2.051 398 E HA -0.206 4.143 4.350 -0.001 0.000 0.192 398 E C 2.485 178.759 176.600 -0.543 0.000 0.991 398 E CA 1.875 57.856 56.400 -0.699 0.000 0.799 398 E CB -0.639 28.716 29.700 -0.575 0.000 0.748 398 E HN 0.559 nan 8.360 nan 0.000 0.449 399 I N 0.977 121.258 120.570 -0.482 0.000 2.179 399 I HA -0.283 3.887 4.170 -0.001 0.000 0.242 399 I C 2.438 178.434 176.117 -0.201 0.000 1.088 399 I CA 1.294 62.414 61.300 -0.301 0.000 1.357 399 I CB -0.190 37.665 38.000 -0.242 0.000 1.051 399 I HN 0.024 nan 8.210 nan 0.000 0.409 400 K N 0.547 120.821 120.400 -0.209 0.000 2.057 400 K HA -0.108 4.212 4.320 -0.001 0.000 0.206 400 K C 2.181 178.662 176.600 -0.197 0.000 1.050 400 K CA 1.255 57.447 56.287 -0.159 0.000 0.935 400 K CB -0.124 32.315 32.500 -0.102 0.000 0.715 400 K HN 0.264 nan 8.250 nan 0.000 0.439 401 I N 0.822 121.210 120.570 -0.304 0.000 2.493 401 I HA -0.252 3.918 4.170 -0.001 0.000 0.254 401 I C 1.491 177.440 176.117 -0.280 0.000 1.160 401 I CA 1.126 62.239 61.300 -0.311 0.000 1.445 401 I CB 0.167 37.907 38.000 -0.433 0.000 1.086 401 I HN 0.052 nan 8.210 nan 0.000 0.433 402 S N 0.402 115.963 115.700 -0.233 0.000 2.436 402 S HA -0.026 4.444 4.470 -0.001 0.000 0.228 402 S C 1.430 175.947 174.600 -0.138 0.000 1.014 402 S CA 0.820 58.920 58.200 -0.167 0.000 0.950 402 S CB -0.335 62.858 63.200 -0.010 0.000 0.784 402 S HN 0.576 nan 8.310 nan 0.000 0.504 403 N N 0.567 119.195 118.700 -0.120 0.000 2.336 403 N HA 0.132 4.871 4.740 -0.001 0.000 0.189 403 N C 1.440 176.888 175.510 -0.102 0.000 1.113 403 N CA -0.006 52.992 53.050 -0.087 0.000 0.858 403 N CB 0.191 38.639 38.487 -0.065 0.000 0.970 403 N HN 0.270 nan 8.380 nan 0.000 0.471 404 K N 1.198 121.513 120.400 -0.142 0.000 2.148 404 K HA -0.049 4.270 4.320 -0.001 0.000 0.204 404 K C 0.892 177.420 176.600 -0.120 0.000 1.050 404 K CA 0.871 57.077 56.287 -0.135 0.000 0.942 404 K CB 0.265 32.665 32.500 -0.168 0.000 0.724 404 K HN 0.076 nan 8.250 nan 0.000 0.446 405 V N -3.287 116.543 119.914 -0.139 0.000 3.156 405 V HA 0.326 4.445 4.120 -0.001 0.000 0.311 405 V C -0.270 175.782 176.094 -0.071 0.000 1.208 405 V CA -1.096 61.142 62.300 -0.104 0.000 1.063 405 V CB 1.420 33.171 31.823 -0.119 0.000 1.098 405 V HN -0.153 nan 8.190 nan 0.000 0.452 406 T N 3.636 118.161 114.554 -0.048 0.000 2.829 406 T HA 0.249 4.598 4.350 -0.001 0.000 0.293 406 T C 0.117 174.811 174.700 -0.009 0.000 0.970 406 T CA 0.850 62.925 62.100 -0.041 0.000 1.168 406 T CB -0.619 68.215 68.868 -0.058 0.000 0.911 406 T HN 0.880 nan 8.240 nan 0.000 0.535 407 N N 3.870 122.571 118.700 0.002 0.000 2.785 407 N HA 0.216 4.956 4.740 -0.001 0.000 0.224 407 N C -2.020 173.519 175.510 0.048 0.000 1.448 407 N CA -1.674 51.431 53.050 0.091 0.000 0.748 407 N CB 1.049 39.615 38.487 0.132 0.000 1.385 407 N HN 0.215 nan 8.380 nan 0.000 0.538 408 P HA -0.020 nan 4.420 nan 0.000 0.219 408 P C 1.175 178.401 177.300 -0.123 0.000 1.150 408 P CA 0.793 63.809 63.100 -0.141 0.000 0.814 408 P CB 0.073 31.598 31.700 -0.292 0.000 0.787 409 F N 0.448 120.448 119.950 0.083 0.000 2.365 409 F HA 0.169 4.695 4.527 -0.001 0.000 0.300 409 F C 1.895 177.821 175.800 0.209 0.000 1.090 409 F CA 1.402 59.543 58.000 0.235 0.000 1.408 409 F CB -1.216 38.081 39.000 0.495 0.000 1.060 409 F HN 0.044 nan 8.300 nan 0.000 0.534 410 G N -0.234 108.747 108.800 0.302 0.000 2.246 410 G HA2 -0.370 3.590 3.960 -0.001 0.000 0.273 410 G HA3 -0.370 3.590 3.960 -0.001 0.000 0.273 410 G C 0.008 174.970 174.900 0.104 0.000 1.055 410 G CA -0.171 45.029 45.100 0.165 0.000 0.851 410 G HN 0.424 nan 8.290 nan 0.000 0.500 411 Y N 1.563 121.909 120.300 0.077 0.000 2.632 411 Y HA 0.401 4.951 4.550 -0.001 0.000 0.329 411 Y C -1.550 174.245 175.900 -0.174 0.000 1.174 411 Y CA -1.423 56.574 58.100 -0.171 0.000 1.469 411 Y CB 0.859 39.170 38.460 -0.249 0.000 1.242 411 Y HN 0.160 nan 8.280 nan 0.000 0.540 412 P HA 0.063 nan 4.420 nan 0.000 0.264 412 P C -0.815 176.368 177.300 -0.194 0.000 1.229 412 P CA 0.465 63.354 63.100 -0.352 0.000 0.780 412 P CB 0.316 31.712 31.700 -0.506 0.000 0.808 413 R N 2.851 123.265 120.500 -0.142 0.000 2.580 413 R HA 0.422 4.762 4.340 -0.001 0.000 0.267 413 R C 0.772 176.996 176.300 -0.127 0.000 1.125 413 R CA -0.485 55.488 56.100 -0.211 0.000 1.188 413 R CB 0.518 30.552 30.300 -0.443 0.000 1.155 413 R HN 0.553 nan 8.270 nan 0.000 0.586 414 Q N -0.075 119.676 119.800 -0.081 0.000 2.590 414 Q HA 0.272 4.612 4.340 -0.001 0.000 0.295 414 Q C -1.695 174.383 176.000 0.130 0.000 0.973 414 Q CA -0.962 54.881 55.803 0.067 0.000 0.768 414 Q CB 1.331 30.144 28.738 0.126 0.000 1.479 414 Q HN 0.514 nan 8.270 nan 0.000 0.419 415 Y N 1.643 121.992 120.300 0.082 0.000 2.417 415 Y HA 0.496 5.045 4.550 -0.001 0.000 0.336 415 Y C -0.825 174.994 175.900 -0.135 0.000 0.961 415 Y CA -0.981 57.114 58.100 -0.009 0.000 1.215 415 Y CB 0.928 39.449 38.460 0.102 0.000 1.120 415 Y HN 0.612 nan 8.280 nan 0.000 0.499 416 V N 3.095 122.745 119.914 -0.440 0.000 3.096 416 V HA 0.736 4.856 4.120 -0.001 0.000 0.319 416 V C -1.124 174.548 176.094 -0.703 0.000 1.103 416 V CA -1.152 60.559 62.300 -0.982 0.000 1.016 416 V CB 2.206 33.368 31.823 -1.101 0.000 1.090 416 V HN 0.643 nan 8.190 nan 0.000 0.449 417 K N 1.073 121.118 120.400 -0.591 0.000 2.588 417 K HA 0.568 4.887 4.320 -0.001 0.000 0.250 417 K C -0.183 176.375 176.600 -0.070 0.000 0.972 417 K CA -0.115 56.023 56.287 -0.248 0.000 0.821 417 K CB 1.667 34.068 32.500 -0.164 0.000 1.249 417 K HN 1.287 nan 8.250 nan 0.000 0.442 418 G N 1.718 110.468 108.800 -0.083 0.000 2.539 418 G HA2 0.329 4.289 3.960 -0.001 0.000 0.258 418 G HA3 0.329 4.289 3.960 -0.001 0.000 0.258 418 G C 0.087 174.999 174.900 0.021 0.000 1.202 418 G CA -0.577 44.523 45.100 -0.001 0.000 0.851 418 G HN 0.472 nan 8.290 nan 0.000 0.556 419 V N 0.490 120.438 119.914 0.056 0.000 2.673 419 V HA 0.159 4.278 4.120 -0.001 0.000 0.303 419 V C 0.868 176.981 176.094 0.032 0.000 1.046 419 V CA -0.242 62.090 62.300 0.053 0.000 1.126 419 V CB 0.618 32.487 31.823 0.078 0.000 0.934 419 V HN 0.863 nan 8.190 nan 0.000 0.487 420 N N 1.519 120.234 118.700 0.024 0.000 2.778 420 N HA -0.202 4.538 4.740 -0.001 0.000 0.249 420 N C 0.177 175.687 175.510 -0.001 0.000 1.069 420 N CA 1.801 54.859 53.050 0.015 0.000 0.831 420 N CB -0.967 37.535 38.487 0.024 0.000 1.142 420 N HN 1.018 nan 8.380 nan 0.000 0.573 421 E N -0.248 119.942 120.200 -0.016 0.000 2.264 421 E HA 0.586 4.936 4.350 -0.001 0.000 0.260 421 E C 0.148 176.716 176.600 -0.052 0.000 0.961 421 E CA -0.748 55.630 56.400 -0.036 0.000 0.834 421 E CB 1.169 30.837 29.700 -0.053 0.000 1.230 421 E HN 0.239 nan 8.360 nan 0.000 0.412 422 S N 0.049 115.711 115.700 -0.064 0.000 2.722 422 S HA 0.408 4.877 4.470 -0.001 0.000 0.292 422 S C -0.152 174.370 174.600 -0.130 0.000 1.135 422 S CA -1.046 57.106 58.200 -0.080 0.000 1.003 422 S CB 0.956 64.124 63.200 -0.054 0.000 1.067 422 S HN 0.310 nan 8.310 nan 0.000 0.546 423 K N 1.060 121.353 120.400 -0.179 0.000 2.436 423 K HA 0.249 4.569 4.320 -0.001 0.000 0.275 423 K C 0.107 176.615 176.600 -0.154 0.000 0.999 423 K CA 0.195 56.289 56.287 -0.322 0.000 0.980 423 K CB 0.240 32.416 32.500 -0.540 0.000 0.919 423 K HN 0.746 nan 8.250 nan 0.000 0.484 424 R N 0.630 121.034 120.500 -0.161 0.000 2.629 424 R HA 0.177 4.517 4.340 -0.001 0.000 0.266 424 R C -1.583 174.785 176.300 0.113 0.000 1.051 424 R CA -1.110 55.000 56.100 0.017 0.000 0.895 424 R CB 0.907 31.169 30.300 -0.063 0.000 1.246 424 R HN 0.622 nan 8.270 nan 0.000 0.459 425 D N 1.813 122.286 120.400 0.122 0.000 2.350 425 D HA 0.464 5.104 4.640 -0.001 0.000 0.249 425 D C -0.578 175.680 176.300 -0.070 0.000 1.119 425 D CA -0.328 53.695 54.000 0.038 0.000 0.886 425 D CB 1.741 42.497 40.800 -0.074 0.000 1.195 425 D HN 0.646 nan 8.370 nan 0.000 0.437 426 A N 1.547 124.303 122.820 -0.106 0.000 2.530 426 A HA 0.525 4.845 4.320 -0.001 0.000 0.288 426 A C -0.227 177.242 177.584 -0.193 0.000 1.172 426 A CA -0.895 51.081 52.037 -0.101 0.000 0.733 426 A CB 0.918 19.879 19.000 -0.064 0.000 1.320 426 A HN 0.440 nan 8.150 nan 0.000 0.419 427 F N -0.287 119.571 119.950 -0.154 0.000 2.179 427 F HA 0.274 4.801 4.527 -0.001 0.000 0.292 427 F C 0.298 175.812 175.800 -0.477 0.000 1.089 427 F CA 1.383 59.143 58.000 -0.400 0.000 1.295 427 F CB -0.012 38.558 39.000 -0.717 0.000 1.041 427 F HN 0.423 nan 8.300 nan 0.000 0.487 428 F N -0.997 119.089 119.950 0.226 0.000 2.541 428 F HA 0.460 4.986 4.527 -0.001 0.000 0.331 428 F C 0.130 175.979 175.800 0.082 0.000 1.057 428 F CA -2.251 55.844 58.000 0.157 0.000 0.975 428 F CB 0.474 39.529 39.000 0.092 0.000 1.246 428 F HN -0.381 nan 8.300 nan 0.000 0.484 429 V N 0.528 120.661 119.914 0.364 0.000 3.032 429 V HA 0.496 4.616 4.120 -0.001 0.000 0.307 429 V C 0.356 176.539 176.094 0.149 0.000 1.097 429 V CA -1.298 61.174 62.300 0.286 0.000 1.191 429 V CB -0.268 31.844 31.823 0.482 0.000 0.964 429 V HN 0.939 nan 8.190 nan 0.000 0.494 430 A N 2.506 125.325 122.820 -0.002 0.000 2.488 430 A HA 0.276 4.596 4.320 -0.001 0.000 0.249 430 A C 0.889 178.546 177.584 0.123 0.000 1.083 430 A CA 0.113 52.122 52.037 -0.047 0.000 0.768 430 A CB -0.601 18.303 19.000 -0.161 0.000 1.017 430 A HN 1.099 nan 8.150 nan 0.000 0.496 431 H N 1.760 120.643 119.070 -0.312 0.000 2.372 431 H HA -0.022 4.533 4.556 -0.001 0.000 0.301 431 H C 0.060 175.337 175.328 -0.085 0.000 1.065 431 H CA 0.606 56.345 56.048 -0.514 0.000 1.364 431 H CB 0.277 29.458 29.762 -0.968 0.000 1.406 431 H HN 0.632 nan 8.280 nan 0.000 0.521 432 N N 2.546 121.292 118.700 0.078 0.000 2.868 432 N HA 0.020 4.760 4.740 -0.001 0.000 0.252 432 N C -0.801 174.788 175.510 0.131 0.000 1.130 432 N CA -0.053 53.062 53.050 0.108 0.000 1.026 432 N CB 0.360 38.884 38.487 0.061 0.000 1.335 432 N HN 0.535 nan 8.380 nan 0.000 0.516 433 N N -0.893 117.913 118.700 0.176 0.000 2.815 433 N HA 0.267 5.006 4.740 -0.001 0.000 0.315 433 N C 0.532 176.121 175.510 0.133 0.000 1.320 433 N CA -0.681 52.474 53.050 0.175 0.000 0.846 433 N CB 0.598 39.222 38.487 0.229 0.000 1.344 433 N HN -0.188 nan 8.380 nan 0.000 0.593 434 E N -0.885 119.370 120.200 0.093 0.000 2.333 434 E HA -0.185 4.165 4.350 -0.001 0.000 0.200 434 E C 1.249 177.837 176.600 -0.019 0.000 1.010 434 E CA 1.551 57.979 56.400 0.046 0.000 0.841 434 E CB -0.285 29.431 29.700 0.027 0.000 0.757 434 E HN 0.656 nan 8.360 nan 0.000 0.508 435 S N -1.386 114.290 115.700 -0.040 0.000 2.461 435 S HA 0.076 4.546 4.470 -0.001 0.000 0.228 435 S C 1.921 176.726 174.600 0.342 0.000 1.005 435 S CA 0.439 58.619 58.200 -0.034 0.000 0.942 435 S CB -0.068 63.050 63.200 -0.135 0.000 0.776 435 S HN 0.368 nan 8.310 nan 0.000 0.514 436 G N 0.975 109.947 108.800 0.286 0.000 2.162 436 G HA2 -0.350 3.609 3.960 -0.001 0.000 0.260 436 G HA3 -0.350 3.609 3.960 -0.001 0.000 0.260 436 G C 0.322 175.494 174.900 0.453 0.000 0.976 436 G CA 1.043 46.352 45.100 0.348 0.000 0.655 436 G HN 1.307 nan 8.290 nan 0.000 0.533 437 Y N -4.966 115.517 120.300 0.305 0.000 2.537 437 Y HA 0.404 4.954 4.550 -0.001 0.000 0.302 437 Y C 0.661 176.725 175.900 0.274 0.000 0.959 437 Y CA -0.735 57.535 58.100 0.282 0.000 0.971 437 Y CB -0.061 38.561 38.460 0.269 0.000 1.416 437 Y HN 0.255 nan 8.280 nan 0.000 0.585 438 W N 5.785 126.711 121.300 -0.624 0.000 2.322 438 W HA 0.499 5.159 4.660 -0.001 0.000 0.307 438 W C -0.884 175.559 176.519 -0.127 0.000 1.220 438 W CA -0.101 56.870 57.345 -0.624 0.000 1.210 438 W CB 0.576 29.544 29.460 -0.819 0.000 1.223 438 W HN 0.296 nan 8.180 nan 0.000 0.511 439 W N 6.065 126.839 121.300 -0.877 0.000 3.319 439 W HA 0.421 5.080 4.660 -0.001 0.000 0.300 439 W C -1.812 173.955 176.519 -1.253 0.000 1.244 439 W CA -1.092 55.662 57.345 -0.985 0.000 1.193 439 W CB -0.060 29.031 29.460 -0.615 0.000 1.359 439 W HN 0.639 nan 8.180 nan 0.000 0.568 440 Q N 1.134 120.462 119.800 -0.787 0.000 2.874 440 Q HA 0.527 4.867 4.340 -0.001 0.000 0.303 440 Q C -0.182 175.658 176.000 -0.267 0.000 0.876 440 Q CA -0.896 54.429 55.803 -0.798 0.000 0.765 440 Q CB 1.061 29.272 28.738 -0.879 0.000 1.478 440 Q HN 0.789 nan 8.270 nan 0.000 0.434 441 G N 0.164 108.856 108.800 -0.180 0.000 2.647 441 G HA2 0.211 4.170 3.960 -0.001 0.000 0.234 441 G HA3 0.211 4.170 3.960 -0.001 0.000 0.234 441 G C -0.385 174.653 174.900 0.231 0.000 1.252 441 G CA -0.164 44.987 45.100 0.086 0.000 0.846 441 G HN 0.568 nan 8.290 nan 0.000 0.589 442 E N 1.012 121.410 120.200 0.331 0.000 2.815 442 E HA 0.071 4.421 4.350 -0.001 0.000 0.211 442 E C 0.887 177.687 176.600 0.333 0.000 1.004 442 E CA -0.538 56.091 56.400 0.382 0.000 1.173 442 E CB 0.358 30.294 29.700 0.393 0.000 1.163 442 E HN 0.361 nan 8.360 nan 0.000 0.449 443 N N 1.492 120.370 118.700 0.297 0.000 2.120 443 N HA -0.165 4.575 4.740 -0.001 0.000 0.188 443 N C 1.798 177.550 175.510 0.404 0.000 1.024 443 N CA 1.311 54.527 53.050 0.276 0.000 0.852 443 N CB -0.087 38.452 38.487 0.088 0.000 1.003 443 N HN 0.297 nan 8.380 nan 0.000 0.424 444 A N 1.388 124.626 122.820 0.697 0.000 1.902 444 A HA -0.171 4.149 4.320 -0.001 0.000 0.217 444 A C 2.256 179.851 177.584 0.018 0.000 1.181 444 A CA 1.503 53.805 52.037 0.442 0.000 0.623 444 A CB -0.549 18.700 19.000 0.415 0.000 0.818 444 A HN 0.316 nan 8.150 nan 0.000 0.443 445 R N -0.789 119.757 120.500 0.077 0.000 2.091 445 R HA -0.145 4.195 4.340 -0.001 0.000 0.238 445 R C 1.808 178.012 176.300 -0.160 0.000 1.136 445 R CA 1.762 57.814 56.100 -0.080 0.000 0.959 445 R CB -0.422 29.924 30.300 0.077 0.000 0.856 445 R HN 0.371 nan 8.270 nan 0.000 0.437 446 L N 0.371 121.540 121.223 -0.090 0.000 2.046 446 L HA -0.027 4.313 4.340 -0.001 0.000 0.208 446 L C 2.541 179.366 176.870 -0.074 0.000 1.077 446 L CA 2.177 56.922 54.840 -0.158 0.000 0.747 446 L CB -1.030 40.947 42.059 -0.137 0.000 0.896 446 L HN 0.427 nan 8.230 nan 0.000 0.432 447 G N -1.468 107.363 108.800 0.052 0.000 2.422 447 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.218 447 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.218 447 G C 1.779 176.725 174.900 0.077 0.000 1.146 447 G CA 1.105 46.312 45.100 0.178 0.000 0.769 447 G HN 0.509 nan 8.290 nan 0.000 0.547 448 S N 0.120 115.609 115.700 -0.352 0.000 2.406 448 S HA 0.101 4.570 4.470 -0.001 0.000 0.228 448 S C 2.330 176.746 174.600 -0.306 0.000 1.020 448 S CA 0.775 58.494 58.200 -0.803 0.000 0.965 448 S CB -0.254 61.921 63.200 -1.708 0.000 0.798 448 S HN 0.270 nan 8.310 nan 0.000 0.488 449 L N 0.912 122.022 121.223 -0.189 0.000 2.179 449 L HA 0.165 4.505 4.340 -0.001 0.000 0.208 449 L C 3.125 180.023 176.870 0.047 0.000 1.096 449 L CA 0.893 55.724 54.840 -0.015 0.000 0.779 449 L CB -0.637 41.426 42.059 0.007 0.000 0.922 449 L HN 0.473 nan 8.230 nan 0.000 0.443 450 A N -0.363 122.427 122.820 -0.051 0.000 1.898 450 A HA -0.167 4.153 4.320 -0.001 0.000 0.216 450 A C 2.346 179.922 177.584 -0.013 0.000 1.181 450 A CA 2.138 54.125 52.037 -0.084 0.000 0.620 450 A CB -0.825 18.163 19.000 -0.020 0.000 0.819 450 A HN 0.331 nan 8.150 nan 0.000 0.442 451 T N 0.039 114.679 114.554 0.144 0.000 2.684 451 T HA -0.228 4.121 4.350 -0.001 0.000 0.267 451 T C 1.957 176.768 174.700 0.185 0.000 1.036 451 T CA 1.753 64.006 62.100 0.255 0.000 1.148 451 T CB -0.362 68.728 68.868 0.371 0.000 0.863 451 T HN 0.543 nan 8.240 nan 0.000 0.436 452 M N 1.214 120.884 119.600 0.117 0.000 2.080 452 M HA -0.153 4.327 4.480 -0.001 0.000 0.260 452 M C 2.460 178.792 176.300 0.053 0.000 1.068 452 M CA 2.153 57.509 55.300 0.093 0.000 1.109 452 M CB -0.420 32.219 32.600 0.064 0.000 1.342 452 M HN 0.292 nan 8.290 nan 0.000 0.405 453 A N -0.433 122.383 122.820 -0.007 0.000 1.933 453 A HA -0.189 4.130 4.320 -0.001 0.000 0.218 453 A C 1.680 179.140 177.584 -0.208 0.000 1.175 453 A CA 1.496 53.465 52.037 -0.113 0.000 0.628 453 A CB -1.139 17.821 19.000 -0.067 0.000 0.814 453 A HN 0.694 nan 8.150 nan 0.000 0.444 454 Y N -0.165 120.124 120.300 -0.019 0.000 2.220 454 Y HA -0.001 4.548 4.550 -0.001 0.000 0.291 454 Y C 2.145 178.033 175.900 -0.020 0.000 1.129 454 Y CA 0.923 58.960 58.100 -0.105 0.000 1.161 454 Y CB -0.502 37.922 38.460 -0.060 0.000 0.997 454 Y HN 0.157 nan 8.280 nan 0.000 0.522 455 L N -1.150 120.186 121.223 0.189 0.000 2.240 455 L HA -0.076 4.264 4.340 -0.001 0.000 0.211 455 L C 2.427 179.390 176.870 0.156 0.000 1.106 455 L CA 0.896 55.840 54.840 0.173 0.000 0.793 455 L CB -0.611 41.568 42.059 0.199 0.000 0.927 455 L HN 0.186 nan 8.230 nan 0.000 0.446 456 A N -0.803 122.098 122.820 0.134 0.000 2.067 456 A HA -0.145 4.175 4.320 -0.001 0.000 0.217 456 A C 2.157 179.800 177.584 0.098 0.000 1.156 456 A CA 0.655 52.788 52.037 0.160 0.000 0.683 456 A CB -0.205 18.860 19.000 0.107 0.000 0.808 456 A HN 0.392 nan 8.150 nan 0.000 0.455 457 Q N -0.409 119.419 119.800 0.046 0.000 2.112 457 Q HA -0.166 4.174 4.340 -0.001 0.000 0.206 457 Q C -0.570 175.425 176.000 -0.007 0.000 0.987 457 Q CA 1.903 57.725 55.803 0.031 0.000 0.858 457 Q CB -1.097 27.673 28.738 0.053 0.000 0.905 457 Q HN 0.482 nan 8.270 nan 0.000 0.420 458 P HA -0.177 nan 4.420 nan 0.000 0.217 458 P C 0.506 177.661 177.300 -0.243 0.000 1.148 458 P CA 1.331 64.295 63.100 -0.228 0.000 0.828 458 P CB -0.063 31.384 31.700 -0.421 0.000 0.783 459 H N -2.111 116.987 119.070 0.047 0.000 2.539 459 H HA 0.136 4.692 4.556 -0.001 0.000 0.269 459 H C 0.789 176.133 175.328 0.025 0.000 0.980 459 H CA 0.008 56.077 56.048 0.035 0.000 1.152 459 H CB 0.044 29.830 29.762 0.040 0.000 1.407 459 H HN 0.128 nan 8.280 nan 0.000 0.564 460 I N 1.515 122.144 120.570 0.097 0.000 2.416 460 I HA 0.065 4.234 4.170 -0.001 0.000 0.288 460 I C 1.537 177.679 176.117 0.041 0.000 1.051 460 I CA -0.075 61.260 61.300 0.059 0.000 1.375 460 I CB 1.074 39.095 38.000 0.035 0.000 1.407 460 I HN 0.058 nan 8.210 nan 0.000 0.516 461 A N 5.499 128.338 122.820 0.032 0.000 1.828 461 A HA -0.110 4.209 4.320 -0.001 0.000 0.215 461 A C 1.427 179.022 177.584 0.017 0.000 1.203 461 A CA 1.127 53.178 52.037 0.023 0.000 0.614 461 A CB -0.514 18.494 19.000 0.015 0.000 0.844 461 A HN 0.680 nan 8.150 nan 0.000 0.445 462 S N -0.444 115.263 115.700 0.011 0.000 2.510 462 S HA 0.103 4.572 4.470 -0.001 0.000 0.279 462 S C 0.834 175.441 174.600 0.013 0.000 1.284 462 S CA 0.054 58.259 58.200 0.009 0.000 1.059 462 S CB 0.799 63.999 63.200 0.001 0.000 0.901 462 S HN 0.506 nan 8.310 nan 0.000 0.491 463 Q N 2.316 122.126 119.800 0.017 0.000 2.291 463 Q HA -0.133 4.207 4.340 -0.001 0.000 0.205 463 Q C 1.638 177.651 176.000 0.023 0.000 0.970 463 Q CA 1.444 57.262 55.803 0.024 0.000 0.876 463 Q CB -0.017 28.735 28.738 0.024 0.000 0.935 463 Q HN 0.880 nan 8.270 nan 0.000 0.455 464 E N 0.621 120.829 120.200 0.014 0.000 2.072 464 E HA -0.146 4.203 4.350 -0.001 0.000 0.191 464 E C 1.559 178.162 176.600 0.005 0.000 0.985 464 E CA 1.266 57.673 56.400 0.011 0.000 0.801 464 E CB -0.185 29.518 29.700 0.005 0.000 0.750 464 E HN 0.488 nan 8.360 nan 0.000 0.452 465 I N 0.361 120.930 120.570 -0.003 0.000 2.315 465 I HA -0.241 3.928 4.170 -0.001 0.000 0.248 465 I C 2.521 178.630 176.117 -0.013 0.000 1.117 465 I CA 0.970 62.259 61.300 -0.019 0.000 1.404 465 I CB -0.403 37.581 38.000 -0.027 0.000 1.071 465 I HN 0.145 nan 8.210 nan 0.000 0.419 466 Q N 0.574 120.380 119.800 0.010 0.000 2.112 466 Q HA -0.298 4.041 4.340 -0.001 0.000 0.206 466 Q C 2.276 178.303 176.000 0.046 0.000 0.987 466 Q CA 1.808 57.629 55.803 0.030 0.000 0.858 466 Q CB -0.153 28.619 28.738 0.057 0.000 0.905 466 Q HN 0.573 nan 8.270 nan 0.000 0.420 467 Q N -0.063 119.766 119.800 0.048 0.000 2.187 467 Q HA -0.129 4.211 4.340 -0.001 0.000 0.199 467 Q C 1.949 177.975 176.000 0.044 0.000 0.957 467 Q CA 0.839 56.679 55.803 0.061 0.000 0.857 467 Q CB 0.190 28.959 28.738 0.053 0.000 0.929 467 Q HN 0.359 nan 8.270 nan 0.000 0.453 468 Q N -0.007 119.805 119.800 0.020 0.000 2.170 468 Q HA -0.121 4.218 4.340 -0.001 0.000 0.203 468 Q C 1.908 177.920 176.000 0.020 0.000 0.976 468 Q CA 0.868 56.680 55.803 0.014 0.000 0.858 468 Q CB 0.073 28.802 28.738 -0.015 0.000 0.907 468 Q HN 0.392 nan 8.270 nan 0.000 0.433 469 L N -0.349 120.864 121.223 -0.016 0.000 2.093 469 L HA -0.152 4.187 4.340 -0.001 0.000 0.208 469 L C 2.352 179.204 176.870 -0.031 0.000 1.085 469 L CA 0.691 55.507 54.840 -0.041 0.000 0.755 469 L CB -0.179 41.819 42.059 -0.102 0.000 0.904 469 L HN 0.129 nan 8.230 nan 0.000 0.435 470 S N -0.560 115.132 115.700 -0.013 0.000 2.368 470 S HA -0.154 4.316 4.470 -0.001 0.000 0.225 470 S C 2.006 176.643 174.600 0.062 0.000 1.030 470 S CA 1.237 59.458 58.200 0.034 0.000 0.999 470 S CB -0.169 63.136 63.200 0.175 0.000 0.844 470 S HN 0.175 nan 8.310 nan 0.000 0.459 471 V N 1.266 121.223 119.914 0.073 0.000 2.295 471 V HA -0.157 3.962 4.120 -0.001 0.000 0.246 471 V C 1.855 177.993 176.094 0.074 0.000 1.049 471 V CA 1.822 64.165 62.300 0.072 0.000 1.024 471 V CB -0.792 31.069 31.823 0.063 0.000 0.648 471 V HN 0.491 nan 8.190 nan 0.000 0.447 472 F N 1.583 121.488 119.950 -0.075 0.000 2.065 472 F HA -0.248 4.279 4.527 -0.001 0.000 0.298 472 F C 2.301 178.023 175.800 -0.130 0.000 1.112 472 F CA 1.871 59.808 58.000 -0.104 0.000 1.212 472 F CB -0.570 38.350 39.000 -0.133 0.000 0.975 472 F HN 0.073 nan 8.300 nan 0.000 0.476 473 A N -0.431 122.321 122.820 -0.113 0.000 1.873 473 A HA -0.242 4.077 4.320 -0.001 0.000 0.215 473 A C 2.088 179.598 177.584 -0.123 0.000 1.186 473 A CA 1.720 53.584 52.037 -0.290 0.000 0.616 473 A CB -1.052 17.488 19.000 -0.767 0.000 0.823 473 A HN 0.530 nan 8.150 nan 0.000 0.442 474 Q N 0.035 119.837 119.800 0.003 0.000 2.170 474 Q HA -0.169 4.171 4.340 -0.001 0.000 0.203 474 Q C 1.363 177.405 176.000 0.070 0.000 0.976 474 Q CA 1.909 57.772 55.803 0.100 0.000 0.858 474 Q CB -0.296 28.528 28.738 0.145 0.000 0.907 474 Q HN 0.604 nan 8.270 nan 0.000 0.433 475 D N -0.476 119.931 120.400 0.011 0.000 2.123 475 D HA -0.146 4.494 4.640 -0.001 0.000 0.196 475 D C 1.575 177.891 176.300 0.027 0.000 0.992 475 D CA 1.491 55.514 54.000 0.038 0.000 0.833 475 D CB -0.279 40.509 40.800 -0.020 0.000 0.954 475 D HN 0.404 nan 8.370 nan 0.000 0.455 476 A N 0.529 123.257 122.820 -0.153 0.000 1.873 476 A HA -0.102 4.217 4.320 -0.001 0.000 0.215 476 A C 2.434 180.052 177.584 0.057 0.000 1.186 476 A CA 0.867 52.802 52.037 -0.170 0.000 0.616 476 A CB -0.747 18.045 19.000 -0.346 0.000 0.823 476 A HN 0.204 nan 8.150 nan 0.000 0.442 477 L N -0.414 120.859 121.223 0.084 0.000 2.056 477 L HA -0.183 4.156 4.340 -0.001 0.000 0.207 477 L C 2.289 179.264 176.870 0.174 0.000 1.078 477 L CA 1.146 56.087 54.840 0.168 0.000 0.749 477 L CB -0.656 41.500 42.059 0.163 0.000 0.901 477 L HN 0.338 nan 8.230 nan 0.000 0.433 478 N N -0.431 118.361 118.700 0.154 0.000 2.149 478 N HA -0.261 4.479 4.740 -0.001 0.000 0.188 478 N C 1.463 177.086 175.510 0.189 0.000 1.019 478 N CA 1.217 54.351 53.050 0.140 0.000 0.857 478 N CB -0.359 38.241 38.487 0.189 0.000 0.997 478 N HN 0.472 nan 8.380 nan 0.000 0.426 479 W N 1.602 122.940 121.300 0.065 0.000 2.355 479 W HA -0.048 4.612 4.660 -0.001 0.000 0.309 479 W C 1.646 178.165 176.519 0.000 0.000 1.206 479 W CA 0.824 58.206 57.345 0.062 0.000 1.284 479 W CB -0.404 29.119 29.460 0.105 0.000 1.145 479 W HN 0.015 nan 8.180 nan 0.000 0.502 480 I N 1.277 122.027 120.570 0.299 0.000 2.315 480 I HA -0.258 3.912 4.170 -0.001 0.000 0.248 480 I C 1.861 177.943 176.117 -0.060 0.000 1.117 480 I CA 1.405 62.792 61.300 0.144 0.000 1.404 480 I CB -0.694 37.418 38.000 0.187 0.000 1.071 480 I HN -0.165 nan 8.210 nan 0.000 0.419 481 V N -1.613 118.272 119.914 -0.047 0.000 3.189 481 V HA 0.611 4.731 4.120 -0.001 0.000 0.366 481 V C 1.024 176.928 176.094 -0.316 0.000 1.313 481 V CA 0.315 62.530 62.300 -0.141 0.000 1.302 481 V CB -0.574 31.226 31.823 -0.038 0.000 1.260 481 V HN 0.537 nan 8.190 nan 0.000 0.484 482 G N 0.498 109.041 108.800 -0.429 0.000 2.255 482 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.196 482 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.196 482 G C 0.057 174.777 174.900 -0.301 0.000 0.998 482 G CA -0.021 44.624 45.100 -0.757 0.000 0.656 482 G HN 0.519 nan 8.290 nan 0.000 0.490 483 L N 2.497 123.662 121.223 -0.096 0.000 2.384 483 L HA 0.474 4.813 4.340 -0.001 0.000 0.258 483 L C 0.225 177.086 176.870 -0.015 0.000 1.266 483 L CA 0.074 54.980 54.840 0.111 0.000 1.162 483 L CB -0.745 41.458 42.059 0.241 0.000 1.375 483 L HN 0.607 nan 8.230 nan 0.000 0.420 484 N N 0.813 119.343 118.700 -0.284 0.000 2.708 484 N HA 0.437 5.177 4.740 -0.001 0.000 0.257 484 N C -2.627 172.532 175.510 -0.586 0.000 1.373 484 N CA -1.589 50.842 53.050 -1.032 0.000 0.843 484 N CB 1.098 38.516 38.487 -1.782 0.000 1.503 484 N HN -0.252 nan 8.380 nan 0.000 0.504 485 P HA -0.071 nan 4.420 nan 0.000 0.226 485 P C -0.220 176.801 177.300 -0.465 0.000 1.146 485 P CA 1.250 64.131 63.100 -0.366 0.000 0.773 485 P CB -0.144 31.251 31.700 -0.508 0.000 0.772 486 Y N -2.164 117.937 120.300 -0.331 0.000 2.467 486 Y HA 0.167 4.716 4.550 -0.001 0.000 0.250 486 Y C 0.662 176.454 175.900 -0.181 0.000 1.155 486 Y CA -0.413 57.535 58.100 -0.252 0.000 1.249 486 Y CB -0.272 37.969 38.460 -0.365 0.000 1.146 486 Y HN -0.136 nan 8.280 nan 0.000 0.524 487 D N 1.298 121.676 120.400 -0.035 0.000 2.686 487 D HA -0.258 4.382 4.640 -0.001 0.000 0.235 487 D C -0.311 176.044 176.300 0.092 0.000 1.160 487 D CA 0.834 54.887 54.000 0.088 0.000 0.645 487 D CB -0.824 40.045 40.800 0.115 0.000 1.039 487 D HN 0.391 nan 8.370 nan 0.000 0.423 488 M N 1.099 120.605 119.600 -0.155 0.000 2.142 488 M HA 0.301 4.781 4.480 -0.001 0.000 0.299 488 M C -0.868 175.185 176.300 -0.411 0.000 0.960 488 M CA -0.862 54.302 55.300 -0.226 0.000 0.920 488 M CB 1.369 33.761 32.600 -0.347 0.000 1.541 488 M HN 0.268 nan 8.290 nan 0.000 0.429 489 C N 6.458 125.529 119.300 -0.382 0.000 2.566 489 C HA 0.332 4.792 4.460 -0.001 0.000 0.393 489 C C 1.154 176.021 174.990 -0.206 0.000 1.309 489 C CA -0.250 58.559 59.018 -0.348 0.000 1.801 489 C CB -0.447 27.182 27.740 -0.184 0.000 2.493 489 C HN 1.120 nan 8.230 nan 0.000 0.575 490 M N 4.508 123.980 119.600 -0.213 0.000 2.495 490 M HA 0.150 4.630 4.480 -0.001 0.000 0.237 490 M C 0.202 176.414 176.300 -0.146 0.000 1.131 490 M CA -0.011 55.194 55.300 -0.158 0.000 1.032 490 M CB -0.023 32.490 32.600 -0.146 0.000 1.513 490 M HN 0.580 nan 8.290 nan 0.000 0.488 491 L N 1.560 122.670 121.223 -0.189 0.000 2.278 491 L HA 0.217 4.557 4.340 -0.001 0.000 0.287 491 L C -0.143 176.691 176.870 -0.060 0.000 1.072 491 L CA 0.129 54.841 54.840 -0.214 0.000 0.819 491 L CB 0.291 42.134 42.059 -0.361 0.000 1.176 491 L HN -0.014 nan 8.230 nan 0.000 0.435 492 D N 4.285 124.652 120.400 -0.054 0.000 2.348 492 D HA 0.342 4.982 4.640 -0.001 0.000 0.253 492 D C 0.859 177.186 176.300 0.046 0.000 1.161 492 D CA 1.064 55.068 54.000 0.006 0.000 0.876 492 D CB 1.081 41.883 40.800 0.004 0.000 1.160 492 D HN 0.921 nan 8.370 nan 0.000 0.459 493 G N 3.281 112.088 108.800 0.013 0.000 2.179 493 G HA2 -0.160 3.799 3.960 -0.001 0.000 0.220 493 G HA3 -0.160 3.799 3.960 -0.001 0.000 0.220 493 G C 0.148 174.868 174.900 -0.301 0.000 0.990 493 G CA -0.218 44.824 45.100 -0.097 0.000 0.646 493 G HN 0.699 nan 8.290 nan 0.000 0.517 494 H N -0.371 118.711 119.070 0.019 0.000 2.821 494 H HA 0.544 5.100 4.556 -0.001 0.000 0.373 494 H C 0.950 176.317 175.328 0.064 0.000 1.165 494 H CA 0.275 56.348 56.048 0.040 0.000 1.154 494 H CB 1.470 31.248 29.762 0.027 0.000 1.765 494 H HN 1.234 nan 8.280 nan 0.000 0.549 495 G N 2.017 110.956 108.800 0.231 0.000 2.574 495 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.282 495 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.282 495 G C -0.086 174.946 174.900 0.220 0.000 1.257 495 G CA 0.550 45.822 45.100 0.286 0.000 0.956 495 G HN 0.901 nan 8.290 nan 0.000 0.560 496 R N -0.515 120.193 120.500 0.347 0.000 2.855 496 R HA 0.662 5.002 4.340 -0.001 0.000 0.266 496 R C 0.421 176.815 176.300 0.157 0.000 1.034 496 R CA -0.253 55.945 56.100 0.163 0.000 0.944 496 R CB 0.721 31.054 30.300 0.054 0.000 1.219 496 R HN 0.976 nan 8.270 nan 0.000 0.474 497 N N -0.232 118.516 118.700 0.081 0.000 2.782 497 N HA -0.150 4.589 4.740 -0.001 0.000 0.251 497 N C -1.005 174.516 175.510 0.018 0.000 1.101 497 N CA 0.868 53.947 53.050 0.048 0.000 0.764 497 N CB -1.213 37.301 38.487 0.045 0.000 1.122 497 N HN 0.664 nan 8.380 nan 0.000 0.561 498 N N 2.090 120.808 118.700 0.030 0.000 2.223 498 N HA 0.017 4.756 4.740 -0.001 0.000 0.271 498 N C -1.922 173.626 175.510 0.063 0.000 1.315 498 N CA 0.175 53.242 53.050 0.028 0.000 0.835 498 N CB 0.252 38.765 38.487 0.043 0.000 1.066 498 N HN 0.332 nan 8.380 nan 0.000 0.486 499 P HA 0.257 nan 4.420 nan 0.000 0.281 499 P C -0.392 177.021 177.300 0.188 0.000 1.249 499 P CA -0.333 62.875 63.100 0.180 0.000 0.810 499 P CB 1.224 33.127 31.700 0.339 0.000 1.008 500 D N -0.413 120.101 120.400 0.191 0.000 2.384 500 D HA 0.189 4.829 4.640 -0.001 0.000 0.250 500 D C -0.041 176.414 176.300 0.259 0.000 1.029 500 D CA -0.499 53.628 54.000 0.211 0.000 0.990 500 D CB 1.265 42.170 40.800 0.174 0.000 1.175 500 D HN 0.249 nan 8.370 nan 0.000 0.532 501 Y N 0.865 121.238 120.300 0.122 0.000 2.504 501 Y HA 0.406 4.955 4.550 -0.001 0.000 0.235 501 Y C -0.051 175.905 175.900 0.093 0.000 1.024 501 Y CA 0.781 58.953 58.100 0.119 0.000 1.161 501 Y CB -0.044 38.509 38.460 0.156 0.000 1.045 501 Y HN 0.278 nan 8.280 nan 0.000 0.480 502 L N 2.757 123.769 121.223 -0.352 0.000 2.556 502 L HA 0.312 4.651 4.340 -0.001 0.000 0.243 502 L C -2.044 174.605 176.870 -0.369 0.000 1.331 502 L CA -1.571 53.067 54.840 -0.336 0.000 0.927 502 L CB 1.503 43.398 42.059 -0.274 0.000 1.219 502 L HN 0.194 nan 8.230 nan 0.000 0.490 503 P HA -0.248 nan 4.420 nan 0.000 0.216 503 P C 1.397 178.273 177.300 -0.708 0.000 1.150 503 P CA 1.273 63.840 63.100 -0.889 0.000 0.837 503 P CB 0.175 31.698 31.700 -0.295 0.000 0.786 504 Q N -0.433 119.066 119.800 -0.502 0.000 2.234 504 Q HA -0.188 4.152 4.340 -0.001 0.000 0.206 504 Q C 1.003 176.587 176.000 -0.694 0.000 0.980 504 Q CA 1.705 57.174 55.803 -0.557 0.000 0.869 504 Q CB -1.205 27.154 28.738 -0.632 0.000 0.912 504 Q HN 0.335 nan 8.270 nan 0.000 0.436 505 Y N -0.159 119.896 120.300 -0.407 0.000 2.485 505 Y HA 0.435 4.984 4.550 -0.001 0.000 0.260 505 Y C 1.481 176.807 175.900 -0.955 0.000 1.173 505 Y CA 0.012 57.797 58.100 -0.524 0.000 1.252 505 Y CB 0.778 39.018 38.460 -0.367 0.000 1.123 505 Y HN 0.307 nan 8.280 nan 0.000 0.524 506 G N -0.269 108.074 108.800 -0.761 0.000 2.141 506 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.242 506 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.242 506 G C -0.302 174.204 174.900 -0.657 0.000 0.982 506 G CA -0.329 44.366 45.100 -0.676 0.000 0.662 506 G HN 0.158 nan 8.290 nan 0.000 0.527 507 F N 1.036 120.817 119.950 -0.282 0.000 2.359 507 F HA 0.657 5.184 4.527 -0.001 0.000 0.355 507 F C 0.324 176.098 175.800 -0.044 0.000 1.132 507 F CA -1.889 56.096 58.000 -0.024 0.000 1.246 507 F CB -0.111 38.963 39.000 0.123 0.000 1.569 507 F HN -0.015 nan 8.300 nan 0.000 0.561 508 F N 1.018 121.144 119.950 0.293 0.000 2.385 508 F HA 0.353 4.879 4.527 -0.001 0.000 0.336 508 F C 0.874 176.829 175.800 0.258 0.000 1.100 508 F CA -0.866 57.268 58.000 0.223 0.000 1.116 508 F CB 0.601 39.686 39.000 0.142 0.000 1.166 508 F HN 0.194 nan 8.300 nan 0.000 0.511 509 N N 1.493 120.444 118.700 0.418 0.000 2.492 509 N HA 0.323 5.063 4.740 -0.001 0.000 0.260 509 N C -0.422 175.255 175.510 0.278 0.000 1.215 509 N CA -0.136 53.104 53.050 0.317 0.000 0.923 509 N CB 0.986 39.622 38.487 0.247 0.000 1.092 509 N HN 0.678 nan 8.380 nan 0.000 0.448 510 A N 2.551 125.526 122.820 0.257 0.000 2.301 510 A HA 0.234 4.553 4.320 -0.001 0.000 0.298 510 A C 0.244 177.921 177.584 0.154 0.000 1.185 510 A CA -0.720 51.464 52.037 0.245 0.000 0.830 510 A CB 0.389 19.613 19.000 0.374 0.000 1.112 510 A HN 0.403 nan 8.150 nan 0.000 0.508 511 K N 1.054 121.528 120.400 0.124 0.000 2.550 511 K HA 0.114 4.433 4.320 -0.001 0.000 0.280 511 K C 1.306 177.967 176.600 0.102 0.000 0.987 511 K CA 1.504 57.843 56.287 0.086 0.000 1.048 511 K CB 0.076 32.620 32.500 0.073 0.000 0.879 511 K HN 1.678 nan 8.250 nan 0.000 0.491 512 G N 1.667 110.495 108.800 0.047 0.000 2.199 512 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.254 512 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.254 512 G C 0.564 175.243 174.900 -0.367 0.000 0.982 512 G CA 0.205 45.315 45.100 0.017 0.000 0.632 512 G HN 0.885 nan 8.290 nan 0.000 0.529 513 G N -1.179 107.242 108.800 -0.632 0.000 2.528 513 G HA2 0.671 4.631 3.960 -0.001 0.000 0.289 513 G HA3 0.671 4.631 3.960 -0.001 0.000 0.289 513 G C -0.559 174.004 174.900 -0.562 0.000 1.192 513 G CA 0.093 44.423 45.100 -1.284 0.000 0.921 513 G HN 1.026 nan 8.290 nan 0.000 0.512 514 V N -0.047 119.617 119.914 -0.417 0.000 2.531 514 V HA 0.328 4.447 4.120 -0.001 0.000 0.301 514 V C 0.637 176.733 176.094 0.002 0.000 1.034 514 V CA -1.045 61.161 62.300 -0.156 0.000 0.865 514 V CB 0.904 32.679 31.823 -0.080 0.000 0.995 514 V HN 1.174 nan 8.190 nan 0.000 0.424 515 C N 3.307 122.599 119.300 -0.013 0.000 2.480 515 C HA 0.436 4.896 4.460 -0.001 0.000 0.358 515 C C 1.919 176.787 174.990 -0.203 0.000 1.309 515 C CA -0.498 58.543 59.018 0.038 0.000 2.465 515 C CB 0.103 27.913 27.740 0.117 0.000 2.379 515 C HN 0.843 nan 8.230 nan 0.000 0.642 516 N N 1.266 119.886 118.700 -0.132 0.000 2.011 516 N HA 0.186 4.925 4.740 -0.001 0.000 0.199 516 N C 1.163 176.602 175.510 -0.118 0.000 1.047 516 N CA 2.591 55.494 53.050 -0.245 0.000 0.863 516 N CB -1.072 37.409 38.487 -0.010 0.000 1.056 516 N HN 1.424 nan 8.380 nan 0.000 0.427 517 G N -0.209 108.685 108.800 0.157 0.000 2.428 517 G HA2 -0.165 3.794 3.960 -0.001 0.000 0.202 517 G HA3 -0.165 3.794 3.960 -0.001 0.000 0.202 517 G C -0.766 174.425 174.900 0.486 0.000 1.247 517 G CA -0.318 44.982 45.100 0.332 0.000 1.020 517 G HN 0.178 nan 8.290 nan 0.000 0.529 518 I N 2.077 122.895 120.570 0.413 0.000 2.474 518 I HA 0.504 4.673 4.170 -0.001 0.000 0.287 518 I C 1.304 177.424 176.117 0.005 0.000 1.048 518 I CA 0.384 61.863 61.300 0.298 0.000 1.383 518 I CB 1.511 39.663 38.000 0.254 0.000 1.412 518 I HN 0.911 nan 8.210 nan 0.000 0.531 519 T N 1.932 116.386 114.554 -0.167 0.000 2.883 519 T HA 0.661 5.011 4.350 -0.001 0.000 0.284 519 T C 0.183 174.212 174.700 -1.118 0.000 1.041 519 T CA -0.816 60.982 62.100 -0.502 0.000 1.007 519 T CB 1.480 70.448 68.868 0.166 0.000 1.220 519 T HN 0.645 nan 8.240 nan 0.000 0.552 520 G N -0.727 107.546 108.800 -0.878 0.000 2.569 520 G HA2 0.498 4.457 3.960 -0.001 0.000 0.249 520 G HA3 0.498 4.457 3.960 -0.001 0.000 0.249 520 G C 0.568 175.387 174.900 -0.136 0.000 1.216 520 G CA -0.413 44.458 45.100 -0.383 0.000 0.845 520 G HN 1.009 nan 8.290 nan 0.000 0.568 521 G N -0.830 107.937 108.800 -0.054 0.000 2.554 521 G HA2 0.227 4.187 3.960 -0.001 0.000 0.238 521 G HA3 0.227 4.187 3.960 -0.001 0.000 0.238 521 G C 0.544 175.527 174.900 0.139 0.000 1.259 521 G CA -0.349 44.801 45.100 0.084 0.000 0.843 521 G HN 0.454 nan 8.290 nan 0.000 0.582 522 F N 0.307 120.368 119.950 0.185 0.000 2.186 522 F HA -0.006 4.521 4.527 -0.001 0.000 0.299 522 F C 2.530 178.416 175.800 0.142 0.000 1.090 522 F CA 1.869 60.034 58.000 0.276 0.000 1.307 522 F CB 0.381 39.582 39.000 0.334 0.000 1.019 522 F HN 0.522 nan 8.300 nan 0.000 0.489 523 E N -0.993 119.373 120.200 0.277 0.000 2.251 523 E HA 0.007 4.357 4.350 -0.001 0.000 0.194 523 E C -0.354 176.266 176.600 0.034 0.000 0.964 523 E CA 0.443 56.938 56.400 0.159 0.000 0.868 523 E CB 0.272 30.065 29.700 0.154 0.000 0.828 523 E HN 0.120 nan 8.360 nan 0.000 0.481 524 D N -0.340 120.066 120.400 0.011 0.000 2.542 524 D HA 0.122 4.761 4.640 -0.001 0.000 0.252 524 D C -0.156 176.095 176.300 -0.082 0.000 1.222 524 D CA -0.157 53.826 54.000 -0.029 0.000 0.895 524 D CB 1.006 41.822 40.800 0.027 0.000 1.207 524 D HN -0.138 nan 8.370 nan 0.000 0.558 525 E N 1.709 121.791 120.200 -0.197 0.000 2.418 525 E HA -0.086 4.264 4.350 -0.001 0.000 0.197 525 E C 0.802 177.401 176.600 -0.002 0.000 1.026 525 E CA 0.466 56.701 56.400 -0.274 0.000 0.862 525 E CB 0.503 29.921 29.700 -0.470 0.000 0.799 525 E HN 0.470 nan 8.360 nan 0.000 0.518 526 E N 0.879 121.115 120.200 0.059 0.000 2.371 526 E HA -0.040 4.310 4.350 -0.001 0.000 0.194 526 E C 0.546 177.330 176.600 0.307 0.000 1.012 526 E CA 0.420 56.928 56.400 0.180 0.000 0.860 526 E CB 0.058 29.824 29.700 0.109 0.000 0.811 526 E HN 0.177 nan 8.360 nan 0.000 0.502 527 D N -0.081 120.453 120.400 0.224 0.000 2.451 527 D HA 0.279 4.919 4.640 -0.001 0.000 0.259 527 D C -0.323 176.055 176.300 0.129 0.000 1.201 527 D CA -0.503 53.652 54.000 0.259 0.000 1.028 527 D CB 1.036 41.949 40.800 0.188 0.000 1.095 527 D HN -0.097 nan 8.370 nan 0.000 0.539 528 I N 0.022 120.592 120.570 0.001 0.000 2.608 528 I HA 0.595 4.765 4.170 -0.001 0.000 0.295 528 I C -1.412 174.720 176.117 0.025 0.000 1.049 528 I CA -0.589 60.558 61.300 -0.254 0.000 1.063 528 I CB 1.625 39.118 38.000 -0.845 0.000 1.248 528 I HN 0.415 nan 8.210 nan 0.000 0.424 529 A N 6.372 129.162 122.820 -0.049 0.000 2.414 529 A HA 0.788 5.107 4.320 -0.001 0.000 0.306 529 A C -1.850 175.561 177.584 -0.288 0.000 1.054 529 A CA -0.368 51.650 52.037 -0.032 0.000 0.724 529 A CB 1.331 20.354 19.000 0.037 0.000 1.267 529 A HN 0.614 nan 8.150 nan 0.000 0.418 530 F N 1.631 121.093 119.950 -0.813 0.000 2.653 530 F HA 0.374 4.900 4.527 -0.001 0.000 0.327 530 F C 0.155 175.345 175.800 -1.017 0.000 1.195 530 F CA -0.218 57.097 58.000 -1.142 0.000 0.993 530 F CB 1.250 39.472 39.000 -1.296 0.000 1.259 530 F HN 0.850 nan 8.300 nan 0.000 0.478 531 N N 4.265 121.876 118.700 -1.814 0.000 2.686 531 N HA -0.171 4.569 4.740 -0.001 0.000 0.261 531 N C -2.652 172.402 175.510 -0.759 0.000 1.001 531 N CA 0.072 52.426 53.050 -1.159 0.000 0.764 531 N CB -0.656 37.491 38.487 -0.566 0.000 0.898 531 N HN 0.244 nan 8.380 nan 0.000 0.544 532 P HA 0.040 nan 4.420 nan 0.000 0.271 532 P C -1.816 175.287 177.300 -0.328 0.000 1.218 532 P CA -1.137 61.702 63.100 -0.435 0.000 0.780 532 P CB 0.740 32.231 31.700 -0.348 0.000 0.901 533 P HA -0.242 nan 4.420 nan 0.000 0.218 533 P C 1.399 178.603 177.300 -0.159 0.000 1.154 533 P CA 2.389 65.394 63.100 -0.159 0.000 0.872 533 P CB -0.494 31.133 31.700 -0.121 0.000 0.790 534 A N -1.784 120.933 122.820 -0.171 0.000 2.119 534 A HA -0.141 4.178 4.320 -0.001 0.000 0.217 534 A C 1.871 179.324 177.584 -0.218 0.000 1.153 534 A CA 1.500 53.437 52.037 -0.168 0.000 0.692 534 A CB -0.622 18.287 19.000 -0.152 0.000 0.799 534 A HN 0.188 nan 8.150 nan 0.000 0.458 535 Q N -1.808 117.841 119.800 -0.252 0.000 2.210 535 Q HA 0.192 4.531 4.340 -0.001 0.000 0.252 535 Q C 1.593 177.518 176.000 -0.124 0.000 0.811 535 Q CA 0.179 55.846 55.803 -0.227 0.000 0.953 535 Q CB 0.204 28.775 28.738 -0.278 0.000 1.136 535 Q HN 0.478 nan 8.270 nan 0.000 0.491 536 K N 1.111 121.393 120.400 -0.197 0.000 2.117 536 K HA -0.250 4.070 4.320 -0.001 0.000 0.215 536 K C -0.016 176.539 176.600 -0.074 0.000 1.053 536 K CA 1.886 58.074 56.287 -0.166 0.000 0.935 536 K CB 0.053 32.448 32.500 -0.175 0.000 0.719 536 K HN 0.240 nan 8.250 nan 0.000 0.460 537 D N 0.228 120.588 120.400 -0.066 0.000 2.395 537 D HA 0.007 4.646 4.640 -0.001 0.000 0.213 537 D C -0.332 175.957 176.300 -0.019 0.000 1.110 537 D CA 0.067 54.045 54.000 -0.037 0.000 0.835 537 D CB 0.203 40.978 40.800 -0.041 0.000 0.965 537 D HN 0.143 nan 8.370 nan 0.000 0.505 538 D N 1.234 121.620 120.400 -0.024 0.000 2.347 538 D HA 0.056 4.696 4.640 -0.001 0.000 0.235 538 D C 1.476 177.788 176.300 0.020 0.000 1.149 538 D CA -0.330 53.661 54.000 -0.015 0.000 0.850 538 D CB 0.977 41.748 40.800 -0.049 0.000 1.061 538 D HN -0.258 nan 8.370 nan 0.000 0.487 539 M N 3.395 123.008 119.600 0.022 0.000 2.346 539 M HA -0.121 4.359 4.480 -0.001 0.000 0.263 539 M C 1.665 178.012 176.300 0.078 0.000 1.064 539 M CA 0.904 56.224 55.300 0.033 0.000 1.083 539 M CB -0.430 32.152 32.600 -0.029 0.000 1.399 539 M HN 0.513 nan 8.290 nan 0.000 0.435 540 L N -0.739 120.520 121.223 0.059 0.000 2.395 540 L HA -0.138 4.202 4.340 -0.001 0.000 0.218 540 L C 2.130 179.132 176.870 0.219 0.000 1.130 540 L CA 0.585 55.485 54.840 0.100 0.000 0.826 540 L CB -0.243 41.843 42.059 0.046 0.000 0.941 540 L HN 0.315 nan 8.230 nan 0.000 0.451 541 Q N -0.751 119.080 119.800 0.051 0.000 2.342 541 Q HA 0.059 4.398 4.340 -0.001 0.000 0.261 541 Q C 1.271 176.975 176.000 -0.493 0.000 0.841 541 Q CA 0.308 55.952 55.803 -0.265 0.000 0.969 541 Q CB -0.031 28.631 28.738 -0.126 0.000 1.136 541 Q HN 0.512 nan 8.270 nan 0.000 0.528 542 N N 0.821 119.485 118.700 -0.060 0.000 2.515 542 N HA -0.095 4.645 4.740 -0.001 0.000 0.191 542 N C 1.212 176.794 175.510 0.120 0.000 1.182 542 N CA 0.241 53.351 53.050 0.099 0.000 0.879 542 N CB -0.569 38.001 38.487 0.139 0.000 0.984 542 N HN 0.413 nan 8.380 nan 0.000 0.453 543 W N 0.271 121.531 121.300 -0.067 0.000 2.658 543 W HA 0.232 4.891 4.660 -0.001 0.000 0.263 543 W C 0.897 177.153 176.519 -0.439 0.000 1.274 543 W CA -0.423 56.824 57.345 -0.163 0.000 1.343 543 W CB -0.540 28.771 29.460 -0.247 0.000 1.106 543 W HN 0.007 nan 8.180 nan 0.000 0.615 544 R N -0.356 119.307 120.500 -1.395 0.000 2.189 544 R HA -0.097 4.242 4.340 -0.001 0.000 0.223 544 R C 1.990 177.569 176.300 -1.201 0.000 1.092 544 R CA 1.887 56.903 56.100 -1.808 0.000 0.989 544 R CB -0.294 28.329 30.300 -2.795 0.000 0.876 544 R HN 0.214 nan 8.270 nan 0.000 0.457 545 W N -1.472 119.518 121.300 -0.516 0.000 3.103 545 W HA 0.271 4.930 4.660 -0.001 0.000 0.258 545 W C 2.036 178.381 176.519 -0.291 0.000 1.001 545 W CA 0.511 57.514 57.345 -0.570 0.000 1.940 545 W CB -0.955 27.764 29.460 -1.235 0.000 1.116 545 W HN 0.089 nan 8.180 nan 0.000 0.600 546 G N 0.445 109.251 108.800 0.010 0.000 2.880 546 G HA2 -0.039 3.920 3.960 -0.001 0.000 0.209 546 G HA3 -0.039 3.920 3.960 -0.001 0.000 0.209 546 G C 0.343 175.352 174.900 0.181 0.000 1.157 546 G CA -0.121 45.097 45.100 0.197 0.000 0.779 546 G HN 0.092 nan 8.290 nan 0.000 0.539 547 E N 0.651 120.848 120.200 -0.004 0.000 2.338 547 E HA 0.209 4.558 4.350 -0.001 0.000 0.272 547 E C -0.144 176.479 176.600 0.040 0.000 1.029 547 E CA -0.262 55.992 56.400 -0.244 0.000 0.872 547 E CB 0.447 29.765 29.700 -0.637 0.000 1.015 547 E HN 0.254 nan 8.360 nan 0.000 0.417 548 Q N 2.710 122.578 119.800 0.113 0.000 2.259 548 Q HA 0.255 4.594 4.340 -0.001 0.000 0.249 548 Q C -1.258 175.001 176.000 0.433 0.000 0.914 548 Q CA -0.285 55.679 55.803 0.270 0.000 0.904 548 Q CB 1.123 29.996 28.738 0.224 0.000 1.213 548 Q HN 0.465 nan 8.270 nan 0.000 0.428 549 W N 3.923 125.430 121.300 0.346 0.000 2.998 549 W HA 0.286 4.946 4.660 -0.001 0.000 0.335 549 W C 0.277 176.938 176.519 0.236 0.000 1.110 549 W CA -1.233 56.264 57.345 0.255 0.000 1.230 549 W CB 0.667 30.252 29.460 0.208 0.000 1.405 549 W HN 0.698 nan 8.180 nan 0.000 0.493 550 I N 3.036 123.640 120.570 0.055 0.000 2.335 550 I HA -0.083 4.086 4.170 -0.001 0.000 0.251 550 I C -1.044 175.034 176.117 -0.065 0.000 1.129 550 I CA 0.982 62.326 61.300 0.074 0.000 1.402 550 I CB -1.596 36.502 38.000 0.163 0.000 1.069 550 I HN 0.165 nan 8.210 nan 0.000 0.424 551 P HA -0.152 nan 4.420 nan 0.000 0.218 551 P C 1.447 178.759 177.300 0.021 0.000 1.148 551 P CA 1.686 64.562 63.100 -0.372 0.000 0.822 551 P CB -0.312 30.904 31.700 -0.806 0.000 0.784 552 H N -0.887 118.290 119.070 0.179 0.000 2.319 552 H HA -0.045 4.511 4.556 -0.001 0.000 0.299 552 H C 2.269 177.758 175.328 0.270 0.000 1.092 552 H CA 1.922 58.138 56.048 0.280 0.000 1.302 552 H CB -1.306 28.610 29.762 0.257 0.000 1.373 552 H HN 0.164 nan 8.280 nan 0.000 0.497 553 G N 0.514 109.501 108.800 0.312 0.000 2.402 553 G HA2 -0.162 3.798 3.960 -0.001 0.000 0.216 553 G HA3 -0.162 3.798 3.960 -0.001 0.000 0.216 553 G C 2.027 177.206 174.900 0.465 0.000 1.162 553 G CA 1.231 46.502 45.100 0.284 0.000 0.777 553 G HN 0.530 nan 8.290 nan 0.000 0.539 554 A N 0.033 123.108 122.820 0.424 0.000 1.902 554 A HA -0.017 4.303 4.320 -0.001 0.000 0.217 554 A C 2.201 179.763 177.584 -0.037 0.000 1.181 554 A CA 1.354 53.436 52.037 0.075 0.000 0.623 554 A CB -0.635 18.226 19.000 -0.233 0.000 0.818 554 A HN 0.538 nan 8.150 nan 0.000 0.443 555 W N -1.993 119.403 121.300 0.159 0.000 2.409 555 W HA -0.069 4.591 4.660 -0.001 0.000 0.299 555 W C 2.140 178.761 176.519 0.170 0.000 1.203 555 W CA 0.999 58.430 57.345 0.143 0.000 1.298 555 W CB -0.472 29.070 29.460 0.136 0.000 1.127 555 W HN 0.514 nan 8.180 nan 0.000 0.528 556 Y N 1.211 121.713 120.300 0.337 0.000 2.081 556 Y HA -0.357 4.193 4.550 -0.001 0.000 0.280 556 Y C 2.420 178.421 175.900 0.169 0.000 1.163 556 Y CA 2.254 60.487 58.100 0.222 0.000 1.135 556 Y CB -1.004 37.553 38.460 0.161 0.000 0.970 556 Y HN -0.017 nan 8.280 nan 0.000 0.498 557 L N -0.560 120.750 121.223 0.145 0.000 2.043 557 L HA -0.210 4.129 4.340 -0.001 0.000 0.212 557 L C 2.262 179.094 176.870 -0.064 0.000 1.075 557 L CA 1.872 56.719 54.840 0.012 0.000 0.752 557 L CB -0.700 41.433 42.059 0.123 0.000 0.891 557 L HN 0.397 nan 8.230 nan 0.000 0.432 558 L N 0.424 121.641 121.223 -0.010 0.000 2.046 558 L HA -0.094 4.245 4.340 -0.001 0.000 0.208 558 L C 2.623 179.533 176.870 0.066 0.000 1.077 558 L CA 2.025 56.870 54.840 0.009 0.000 0.747 558 L CB -1.088 40.990 42.059 0.032 0.000 0.896 558 L HN 0.364 nan 8.230 nan 0.000 0.432 559 A N 0.020 122.901 122.820 0.101 0.000 1.898 559 A HA -0.169 4.150 4.320 -0.001 0.000 0.216 559 A C 2.229 179.813 177.584 -0.001 0.000 1.181 559 A CA 1.848 53.960 52.037 0.125 0.000 0.620 559 A CB -0.963 18.123 19.000 0.144 0.000 0.819 559 A HN 0.657 nan 8.150 nan 0.000 0.442 560 I N -4.003 116.449 120.570 -0.196 0.000 2.546 560 I HA -0.124 4.046 4.170 -0.001 0.000 0.255 560 I C 2.224 178.253 176.117 -0.146 0.000 1.163 560 I CA 1.512 62.681 61.300 -0.219 0.000 1.457 560 I CB -0.304 37.466 38.000 -0.383 0.000 1.092 560 I HN 0.190 nan 8.210 nan 0.000 0.434 561 M N 0.737 120.265 119.600 -0.121 0.000 2.288 561 M HA -0.067 4.413 4.480 -0.001 0.000 0.266 561 M C 2.405 178.648 176.300 -0.095 0.000 1.072 561 M CA 1.170 56.404 55.300 -0.109 0.000 1.132 561 M CB -0.187 32.352 32.600 -0.102 0.000 1.386 561 M HN 0.254 nan 8.290 nan 0.000 0.432 562 S N 0.273 115.942 115.700 -0.051 0.000 2.368 562 S HA -0.188 4.281 4.470 -0.001 0.000 0.224 562 S C 1.796 176.230 174.600 -0.277 0.000 1.029 562 S CA 1.189 59.377 58.200 -0.020 0.000 0.988 562 S CB -0.284 63.027 63.200 0.184 0.000 0.838 562 S HN 0.473 nan 8.310 nan 0.000 0.462 563 Q N 0.857 120.350 119.800 -0.513 0.000 2.096 563 Q HA -0.163 4.177 4.340 -0.001 0.000 0.204 563 Q C 2.198 178.005 176.000 -0.321 0.000 0.982 563 Q CA 1.574 56.849 55.803 -0.879 0.000 0.850 563 Q CB -0.326 28.149 28.738 -0.438 0.000 0.901 563 Q HN 0.564 nan 8.270 nan 0.000 0.422 564 A N 0.460 123.191 122.820 -0.149 0.000 1.898 564 A HA -0.218 4.102 4.320 -0.001 0.000 0.216 564 A C 2.039 179.600 177.584 -0.038 0.000 1.181 564 A CA 1.470 53.486 52.037 -0.035 0.000 0.620 564 A CB -0.684 18.197 19.000 -0.199 0.000 0.819 564 A HN 0.482 nan 8.150 nan 0.000 0.442 565 Q N -0.759 118.995 119.800 -0.077 0.000 2.084 565 Q HA -0.250 4.089 4.340 -0.001 0.000 0.202 565 Q C 1.976 177.986 176.000 0.016 0.000 0.978 565 Q CA 2.253 58.036 55.803 -0.033 0.000 0.844 565 Q CB -0.376 28.344 28.738 -0.029 0.000 0.898 565 Q HN 0.883 nan 8.270 nan 0.000 0.426 566 H N 0.606 119.612 119.070 -0.106 0.000 2.290 566 H HA -0.107 4.449 4.556 -0.001 0.000 0.298 566 H C 1.954 177.267 175.328 -0.024 0.000 1.087 566 H CA 2.124 58.132 56.048 -0.068 0.000 1.291 566 H CB -0.234 29.434 29.762 -0.156 0.000 1.369 566 H HN 0.185 nan 8.280 nan 0.000 0.492 567 I N -0.009 120.470 120.570 -0.151 0.000 2.286 567 I HA -0.226 3.944 4.170 -0.001 0.000 0.248 567 I C 2.384 178.458 176.117 -0.071 0.000 1.115 567 I CA 1.263 62.470 61.300 -0.156 0.000 1.392 567 I CB -1.166 36.799 38.000 -0.060 0.000 1.065 567 I HN 0.292 nan 8.210 nan 0.000 0.418 568 S N 0.116 115.865 115.700 0.081 0.000 2.382 568 S HA -0.161 4.309 4.470 -0.001 0.000 0.228 568 S C 1.915 176.511 174.600 -0.007 0.000 1.027 568 S CA 1.002 59.253 58.200 0.084 0.000 0.991 568 S CB -0.091 63.169 63.200 0.100 0.000 0.823 568 S HN 0.463 nan 8.310 nan 0.000 0.469 569 Q N 0.492 120.265 119.800 -0.044 0.000 2.123 569 Q HA 0.035 4.375 4.340 -0.001 0.000 0.199 569 Q C 2.219 178.178 176.000 -0.068 0.000 0.966 569 Q CA 0.844 56.620 55.803 -0.045 0.000 0.845 569 Q CB -0.319 28.404 28.738 -0.025 0.000 0.907 569 Q HN 0.510 nan 8.270 nan 0.000 0.439 570 L N -0.109 121.033 121.223 -0.135 0.000 2.083 570 L HA -0.152 4.187 4.340 -0.001 0.000 0.209 570 L C 2.406 179.234 176.870 -0.070 0.000 1.083 570 L CA 1.103 55.872 54.840 -0.119 0.000 0.752 570 L CB -0.524 41.422 42.059 -0.188 0.000 0.899 570 L HN 0.117 nan 8.230 nan 0.000 0.433 571 A N -0.737 122.044 122.820 -0.066 0.000 2.016 571 A HA -0.109 4.211 4.320 -0.001 0.000 0.217 571 A C 2.310 179.880 177.584 -0.023 0.000 1.162 571 A CA 1.733 53.745 52.037 -0.042 0.000 0.662 571 A CB -0.607 18.367 19.000 -0.043 0.000 0.812 571 A HN 0.361 nan 8.150 nan 0.000 0.450 572 T N -0.070 114.473 114.554 -0.019 0.000 2.857 572 T HA -0.067 4.282 4.350 -0.001 0.000 0.266 572 T C 2.141 176.835 174.700 -0.010 0.000 1.048 572 T CA 1.552 63.647 62.100 -0.010 0.000 1.139 572 T CB -0.192 68.673 68.868 -0.006 0.000 0.874 572 T HN 0.447 nan 8.240 nan 0.000 0.455 573 S N 1.240 116.931 115.700 -0.015 0.000 2.423 573 S HA -0.012 4.458 4.470 -0.001 0.000 0.231 573 S C 1.884 176.478 174.600 -0.010 0.000 1.014 573 S CA 0.852 59.045 58.200 -0.011 0.000 0.965 573 S CB -0.132 63.060 63.200 -0.013 0.000 0.785 573 S HN 0.484 nan 8.310 nan 0.000 0.495 574 K N 0.964 121.356 120.400 -0.014 0.000 2.432 574 K HA 0.137 4.457 4.320 -0.001 0.000 0.196 574 K C 0.623 177.218 176.600 -0.008 0.000 1.038 574 K CA 0.309 56.589 56.287 -0.012 0.000 0.986 574 K CB 0.105 32.595 32.500 -0.016 0.000 0.782 574 K HN 0.320 nan 8.250 nan 0.000 0.485 575 N N 0.000 118.696 118.700 -0.007 0.000 1.763 575 N HA 0.000 4.740 4.740 -0.001 0.000 0.220 575 N CA 0.000 53.048 53.050 -0.004 0.000 0.885 575 N CB 0.000 38.485 38.487 -0.003 0.000 1.341 575 N HN 0.000 nan 8.380 nan 0.000 0.667