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 5tmn_1_E DATA FIRST_RESID 1 DATA SEQUENCE ITGTSTVGVG RGVLGDQKNI NTTYSTYYYL QDNTRGDGIF TYDAKYRTTL DATA SEQUENCE PGSLWADADN QFFASYDAPA VDAHYYAGVT YDYYKNVHNR LSYDGNNAAI DATA SEQUENCE RSSVHYSQGY NNAFWNGSEM VYGDGDGQTF IPLSGGIDVV AHELTHAVTD DATA SEQUENCE YTAGLIYQNE SGAINEAISD IFGTLVEFYA NKNPDWEIGE DVYTPGISGD DATA SEQUENCE SLRSMSDPAK YGDPDHYSKR YTGTQDNGGV HINSGIINKA AYLISQGGTH DATA SEQUENCE YGVSVVGIGR DKLGKIFYRA LTQYLTPTSN FSQLRAAAVQ SATDLYGSTS DATA SEQUENCE QEVASVKQAF DAVGVK 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 I HA 0.000 nan 4.170 nan 0.000 0.288 1 I C 0.000 176.096 176.117 -0.035 0.000 1.063 1 I CA 0.000 61.221 61.300 -0.132 0.000 1.566 1 I CB 0.000 37.743 38.000 -0.428 0.000 1.214 2 T N 4.912 119.443 114.554 -0.038 0.000 2.744 2 T HA 0.806 5.156 4.350 -0.000 0.000 0.291 2 T C 0.232 174.927 174.700 -0.008 0.000 0.957 2 T CA -0.035 62.061 62.100 -0.007 0.000 1.002 2 T CB 1.304 70.167 68.868 -0.008 0.000 0.919 2 T HN 0.888 nan 8.240 nan 0.000 0.468 3 G N 1.435 110.245 108.800 0.017 0.000 2.428 3 G HA2 0.470 4.430 3.960 -0.000 0.000 0.305 3 G HA3 0.470 4.430 3.960 -0.000 0.000 0.305 3 G C -1.077 173.861 174.900 0.064 0.000 1.260 3 G CA -0.586 44.526 45.100 0.020 0.000 0.853 3 G HN 0.593 nan 8.290 nan 0.000 0.480 4 T N 0.723 115.342 114.554 0.108 0.000 2.767 4 T HA 0.554 4.904 4.350 -0.000 0.000 0.288 4 T C 0.443 175.242 174.700 0.165 0.000 0.963 4 T CA -0.054 62.131 62.100 0.141 0.000 1.019 4 T CB 0.320 69.298 68.868 0.183 0.000 0.923 4 T HN 0.569 nan 8.240 nan 0.000 0.468 5 S N 3.836 119.606 115.700 0.116 0.000 2.533 5 S HA 0.449 4.918 4.470 -0.000 0.000 0.282 5 S C 0.650 175.328 174.600 0.130 0.000 1.304 5 S CA -0.521 57.745 58.200 0.111 0.000 1.063 5 S CB 0.483 63.721 63.200 0.062 0.000 0.881 5 S HN 0.959 nan 8.310 nan 0.000 0.493 6 T N -0.929 113.718 114.554 0.156 0.000 2.647 6 T HA 0.720 5.070 4.350 -0.000 0.000 0.295 6 T C -0.980 173.792 174.700 0.119 0.000 1.126 6 T CA -0.797 61.390 62.100 0.145 0.000 1.040 6 T CB 0.835 69.828 68.868 0.209 0.000 1.472 6 T HN 0.287 nan 8.240 nan 0.000 0.500 7 V N 0.448 120.416 119.914 0.090 0.000 2.577 7 V HA 0.786 4.906 4.120 -0.000 0.000 0.303 7 V C 0.670 176.797 176.094 0.055 0.000 1.042 7 V CA -0.340 62.002 62.300 0.069 0.000 0.872 7 V CB 1.360 33.211 31.823 0.046 0.000 0.998 7 V HN 1.346 nan 8.190 nan 0.000 0.423 8 G N 1.890 110.736 108.800 0.076 0.000 2.601 8 G HA2 0.721 4.681 3.960 -0.000 0.000 0.317 8 G HA3 0.721 4.681 3.960 -0.000 0.000 0.317 8 G C -1.267 173.672 174.900 0.065 0.000 1.246 8 G CA -0.726 44.433 45.100 0.098 0.000 1.012 8 G HN 0.769 nan 8.290 nan 0.000 0.494 9 V N -0.814 119.141 119.914 0.067 0.000 2.876 9 V HA 0.967 5.087 4.120 -0.000 0.000 0.312 9 V C 0.159 176.085 176.094 -0.281 0.000 1.085 9 V CA 0.503 62.779 62.300 -0.041 0.000 0.945 9 V CB 1.759 33.617 31.823 0.060 0.000 1.017 9 V HN 1.499 nan 8.190 nan 0.000 0.428 10 G N 4.320 112.833 108.800 -0.478 0.000 2.663 10 G HA2 0.673 4.633 3.960 -0.000 0.000 0.299 10 G HA3 0.673 4.633 3.960 -0.000 0.000 0.299 10 G C -1.806 172.738 174.900 -0.594 0.000 1.372 10 G CA -1.037 43.580 45.100 -0.804 0.000 0.781 10 G HN 0.854 nan 8.290 nan 0.000 0.491 11 R N -0.713 119.535 120.500 -0.419 0.000 2.534 11 R HA 0.624 4.964 4.340 -0.000 0.000 0.301 11 R C 0.541 176.753 176.300 -0.147 0.000 0.961 11 R CA -0.010 56.008 56.100 -0.137 0.000 0.871 11 R CB 1.581 31.947 30.300 0.109 0.000 1.170 11 R HN 0.863 nan 8.270 nan 0.000 0.446 12 G N 0.903 109.611 108.800 -0.154 0.000 2.543 12 G HA2 0.166 4.126 3.960 -0.000 0.000 0.290 12 G HA3 0.166 4.126 3.960 -0.000 0.000 0.290 12 G C 0.744 175.603 174.900 -0.068 0.000 1.310 12 G CA -0.572 44.431 45.100 -0.161 0.000 1.025 12 G HN 0.433 nan 8.290 nan 0.000 0.502 13 V N -0.208 119.673 119.914 -0.055 0.000 2.324 13 V HA -0.157 3.963 4.120 -0.000 0.000 0.250 13 V C 2.656 178.762 176.094 0.021 0.000 1.060 13 V CA 1.397 63.695 62.300 -0.003 0.000 1.042 13 V CB -0.547 31.282 31.823 0.009 0.000 0.650 13 V HN 0.376 nan 8.190 nan 0.000 0.450 14 L N 0.355 121.589 121.223 0.018 0.000 2.599 14 L HA 0.314 4.654 4.340 -0.000 0.000 0.230 14 L C 1.779 178.660 176.870 0.017 0.000 1.141 14 L CA 1.392 56.246 54.840 0.025 0.000 0.877 14 L CB -0.707 41.370 42.059 0.030 0.000 1.009 14 L HN 0.500 nan 8.230 nan 0.000 0.447 15 G N -0.986 107.822 108.800 0.013 0.000 2.175 15 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.244 15 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.244 15 G C -0.033 174.878 174.900 0.019 0.000 0.982 15 G CA 0.228 45.344 45.100 0.027 0.000 0.641 15 G HN 0.475 nan 8.290 nan 0.000 0.527 16 D N 0.314 120.705 120.400 -0.015 0.000 2.302 16 D HA 0.426 5.066 4.640 -0.000 0.000 0.248 16 D C 0.213 176.474 176.300 -0.064 0.000 1.094 16 D CA -0.343 53.635 54.000 -0.037 0.000 0.897 16 D CB 1.150 41.912 40.800 -0.062 0.000 1.200 16 D HN 0.419 nan 8.370 nan 0.000 0.429 17 Q N 0.915 120.695 119.800 -0.035 0.000 2.261 17 Q HA 0.307 4.647 4.340 -0.000 0.000 0.252 17 Q C -0.674 175.249 176.000 -0.129 0.000 0.915 17 Q CA -0.581 55.204 55.803 -0.029 0.000 0.915 17 Q CB 0.768 29.558 28.738 0.086 0.000 1.204 17 Q HN 0.561 nan 8.270 nan 0.000 0.421 18 K N 1.943 122.223 120.400 -0.200 0.000 2.536 18 K HA 0.498 4.818 4.320 -0.000 0.000 0.269 18 K C -1.120 175.381 176.600 -0.165 0.000 0.965 18 K CA -1.098 55.026 56.287 -0.271 0.000 0.860 18 K CB 1.072 33.185 32.500 -0.645 0.000 1.423 18 K HN 0.370 nan 8.250 nan 0.000 0.438 19 N N 1.584 120.250 118.700 -0.058 0.000 2.473 19 N HA 0.494 5.234 4.740 -0.000 0.000 0.291 19 N C -0.415 175.131 175.510 0.061 0.000 1.083 19 N CA -0.528 52.526 53.050 0.007 0.000 0.951 19 N CB 1.308 39.822 38.487 0.045 0.000 1.164 19 N HN 0.612 nan 8.380 nan 0.000 0.480 20 I N -1.628 118.955 120.570 0.021 0.000 2.828 20 I HA 0.493 4.663 4.170 -0.000 0.000 0.302 20 I C -0.688 175.457 176.117 0.046 0.000 1.101 20 I CA -1.059 60.270 61.300 0.047 0.000 1.031 20 I CB 2.003 39.989 38.000 -0.024 0.000 1.231 20 I HN 0.169 nan 8.210 nan 0.000 0.427 21 N N 2.977 121.713 118.700 0.060 0.000 2.430 21 N HA 0.399 5.139 4.740 -0.000 0.000 0.265 21 N C -0.256 175.338 175.510 0.140 0.000 1.100 21 N CA -0.058 53.032 53.050 0.066 0.000 0.961 21 N CB 1.175 39.656 38.487 -0.011 0.000 1.075 21 N HN 0.792 nan 8.380 nan 0.000 0.478 22 T N -1.250 113.383 114.554 0.132 0.000 2.883 22 T HA 0.596 4.946 4.350 -0.000 0.000 0.284 22 T C -0.290 174.544 174.700 0.223 0.000 1.041 22 T CA -0.790 61.418 62.100 0.180 0.000 1.007 22 T CB 1.722 70.753 68.868 0.271 0.000 1.220 22 T HN 0.154 nan 8.240 nan 0.000 0.552 23 T N 1.348 116.077 114.554 0.292 0.000 2.881 23 T HA 0.476 4.826 4.350 -0.000 0.000 0.290 23 T C -1.944 172.973 174.700 0.362 0.000 1.000 23 T CA -0.461 61.806 62.100 0.277 0.000 0.978 23 T CB 0.974 69.960 68.868 0.198 0.000 0.997 23 T HN 0.631 nan 8.240 nan 0.000 0.443 24 Y N 2.218 122.588 120.300 0.115 0.000 2.331 24 Y HA 0.619 5.169 4.550 -0.000 0.000 0.338 24 Y C -0.091 175.796 175.900 -0.020 0.000 0.976 24 Y CA -0.768 57.281 58.100 -0.086 0.000 1.137 24 Y CB 1.309 39.647 38.460 -0.202 0.000 1.172 24 Y HN 0.579 nan 8.280 nan 0.000 0.478 25 S N 5.083 120.427 115.700 -0.594 0.000 2.417 25 S HA 0.299 4.769 4.470 -0.000 0.000 0.189 25 S C 0.233 174.615 174.600 -0.364 0.000 1.005 25 S CA 0.345 58.269 58.200 -0.459 0.000 1.116 25 S CB -0.143 62.996 63.200 -0.102 0.000 1.343 25 S HN 1.270 nan 8.310 nan 0.000 0.406 26 T N 2.828 116.955 114.554 -0.711 0.000 12.892 26 T HA -0.289 4.061 4.350 -0.000 0.000 0.418 26 T C 0.060 174.488 174.700 -0.453 0.000 1.450 26 T CA 1.960 63.795 62.100 -0.441 0.000 2.382 26 T CB -1.910 66.819 68.868 -0.231 0.000 2.816 26 T HN 0.669 nan 8.240 nan 0.000 0.702 27 Y N -0.300 119.827 120.300 -0.287 0.000 2.596 27 Y HA 0.674 5.224 4.550 -0.000 0.000 0.326 27 Y C -0.098 175.563 175.900 -0.397 0.000 1.167 27 Y CA -1.038 56.877 58.100 -0.308 0.000 1.246 27 Y CB 0.995 39.153 38.460 -0.503 0.000 1.347 27 Y HN 0.298 nan 8.280 nan 0.000 0.515 28 Y N 0.663 121.028 120.300 0.108 0.000 2.335 28 Y HA 0.336 4.886 4.550 -0.000 0.000 0.339 28 Y C -1.045 174.868 175.900 0.023 0.000 0.987 28 Y CA -0.748 57.468 58.100 0.193 0.000 1.140 28 Y CB 0.334 38.944 38.460 0.250 0.000 1.173 28 Y HN 0.355 nan 8.280 nan 0.000 0.486 29 Y N 2.238 122.749 120.300 0.353 0.000 2.457 29 Y HA 0.390 4.940 4.550 -0.000 0.000 0.333 29 Y C 0.040 176.009 175.900 0.115 0.000 1.119 29 Y CA -1.169 57.074 58.100 0.238 0.000 1.143 29 Y CB 1.088 39.626 38.460 0.130 0.000 1.230 29 Y HN 0.397 nan 8.280 nan 0.000 0.469 30 L N 3.262 124.566 121.223 0.135 0.000 2.384 30 L HA 0.186 4.526 4.340 -0.000 0.000 0.258 30 L C -0.309 176.414 176.870 -0.245 0.000 1.266 30 L CA 0.308 54.905 54.840 -0.406 0.000 1.162 30 L CB -0.412 41.233 42.059 -0.690 0.000 1.375 30 L HN 0.563 nan 8.230 nan 0.000 0.420 31 Q N 1.758 121.530 119.800 -0.046 0.000 2.294 31 Q HA 0.184 4.524 4.340 -0.000 0.000 0.264 31 Q C -1.449 174.517 176.000 -0.056 0.000 0.992 31 Q CA -0.701 55.040 55.803 -0.104 0.000 0.747 31 Q CB 2.216 30.926 28.738 -0.047 0.000 1.262 31 Q HN 0.255 nan 8.270 nan 0.000 0.452 32 D N 3.107 123.429 120.400 -0.130 0.000 2.373 32 D HA 0.197 4.837 4.640 -0.000 0.000 0.227 32 D C -0.243 175.912 176.300 -0.242 0.000 1.091 32 D CA -0.191 53.723 54.000 -0.144 0.000 0.840 32 D CB 0.878 41.522 40.800 -0.259 0.000 1.060 32 D HN 0.668 nan 8.370 nan 0.000 0.502 33 N N 1.165 119.777 118.700 -0.145 0.000 2.398 33 N HA -0.055 4.685 4.740 -0.000 0.000 0.188 33 N C 1.423 176.863 175.510 -0.116 0.000 1.122 33 N CA 0.497 53.471 53.050 -0.125 0.000 0.866 33 N CB 0.464 38.921 38.487 -0.050 0.000 0.970 33 N HN 0.470 nan 8.380 nan 0.000 0.462 34 T N -1.857 112.617 114.554 -0.133 0.000 3.088 34 T HA 0.117 4.467 4.350 -0.000 0.000 0.259 34 T C 0.724 175.312 174.700 -0.187 0.000 1.122 34 T CA 0.224 62.251 62.100 -0.122 0.000 1.095 34 T CB 0.133 68.944 68.868 -0.095 0.000 0.930 34 T HN -0.009 nan 8.240 nan 0.000 0.508 35 R N 0.981 121.290 120.500 -0.319 0.000 2.337 35 R HA 0.552 4.892 4.340 -0.000 0.000 0.319 35 R C 1.163 177.111 176.300 -0.586 0.000 0.954 35 R CA -0.098 55.634 56.100 -0.614 0.000 0.840 35 R CB 1.319 31.034 30.300 -0.975 0.000 1.164 35 R HN 0.371 nan 8.270 nan 0.000 0.472 36 G N 2.774 111.383 108.800 -0.319 0.000 2.614 36 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.303 36 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.303 36 G C 0.109 174.965 174.900 -0.073 0.000 1.270 36 G CA 0.454 45.502 45.100 -0.087 0.000 0.988 36 G HN 0.640 nan 8.290 nan 0.000 0.551 37 D N 2.930 123.317 120.400 -0.020 0.000 2.325 37 D HA 0.452 5.092 4.640 -0.000 0.000 0.234 37 D C 1.211 177.571 176.300 0.099 0.000 1.122 37 D CA 1.795 55.822 54.000 0.045 0.000 0.850 37 D CB -0.255 40.594 40.800 0.082 0.000 0.921 37 D HN 1.658 nan 8.370 nan 0.000 0.513 38 G N 0.415 109.174 108.800 -0.069 0.000 2.587 38 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.686 38 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.686 38 G C -0.938 173.787 174.900 -0.292 0.000 1.236 38 G CA -0.997 43.929 45.100 -0.290 0.000 0.820 38 G HN 0.124 nan 8.290 nan 0.000 0.645 39 I N 0.588 120.853 120.570 -0.508 0.000 2.418 39 I HA 0.537 4.707 4.170 -0.000 0.000 0.287 39 I C -0.694 175.226 176.117 -0.328 0.000 1.008 39 I CA -0.605 60.539 61.300 -0.260 0.000 1.104 39 I CB 1.455 39.283 38.000 -0.287 0.000 1.264 39 I HN 0.328 nan 8.210 nan 0.000 0.438 40 F N 3.456 123.520 119.950 0.190 0.000 2.477 40 F HA 0.462 4.989 4.527 -0.000 0.000 0.335 40 F C 0.292 176.194 175.800 0.170 0.000 1.130 40 F CA -0.655 57.427 58.000 0.137 0.000 0.948 40 F CB 2.082 41.153 39.000 0.118 0.000 1.154 40 F HN 0.222 nan 8.300 nan 0.000 0.439 41 T N 2.951 117.610 114.554 0.175 0.000 2.779 41 T HA 0.513 4.863 4.350 -0.000 0.000 0.280 41 T C -1.051 173.725 174.700 0.128 0.000 0.987 41 T CA -0.609 61.605 62.100 0.191 0.000 0.966 41 T CB 0.601 69.498 68.868 0.049 0.000 0.933 41 T HN 0.301 nan 8.240 nan 0.000 0.442 42 Y N 0.788 121.263 120.300 0.292 0.000 2.509 42 Y HA 0.467 5.017 4.550 -0.000 0.000 0.341 42 Y C 0.277 176.415 175.900 0.397 0.000 1.038 42 Y CA -1.240 57.049 58.100 0.315 0.000 1.089 42 Y CB 1.300 39.874 38.460 0.190 0.000 1.241 42 Y HN 0.456 nan 8.280 nan 0.000 0.468 43 D N 1.019 121.714 120.400 0.490 0.000 2.317 43 D HA 0.368 5.008 4.640 -0.000 0.000 0.234 43 D C 0.154 176.596 176.300 0.237 0.000 1.112 43 D CA -0.063 54.141 54.000 0.340 0.000 0.840 43 D CB 1.673 42.419 40.800 -0.091 0.000 1.078 43 D HN 0.690 nan 8.370 nan 0.000 0.486 44 A N 4.037 127.004 122.820 0.245 0.000 2.218 44 A HA 0.057 4.377 4.320 -0.000 0.000 0.209 44 A C 0.926 178.565 177.584 0.092 0.000 1.168 44 A CA 0.082 52.224 52.037 0.175 0.000 0.804 44 A CB -0.308 18.831 19.000 0.230 0.000 0.834 44 A HN 0.751 nan 8.150 nan 0.000 0.482 45 K N -2.209 118.212 120.400 0.034 0.000 3.069 45 K HA -0.299 4.021 4.320 -0.000 0.000 0.267 45 K C -0.441 176.081 176.600 -0.130 0.000 1.082 45 K CA 0.936 57.144 56.287 -0.133 0.000 0.782 45 K CB -2.656 29.805 32.500 -0.065 0.000 1.230 45 K HN 0.744 nan 8.250 nan 0.000 0.488 46 Y N -2.954 117.424 120.300 0.130 0.000 4.841 46 Y HA -0.345 4.205 4.550 -0.000 0.000 0.242 46 Y C 0.896 176.777 175.900 -0.032 0.000 1.002 46 Y CA 0.589 58.724 58.100 0.059 0.000 2.011 46 Y CB -1.101 37.392 38.460 0.055 0.000 1.554 46 Y HN 0.275 nan 8.280 nan 0.000 0.618 47 R N 0.263 120.804 120.500 0.068 0.000 2.705 47 R HA 0.530 4.870 4.340 -0.000 0.000 0.246 47 R C 1.215 177.406 176.300 -0.182 0.000 1.142 47 R CA 0.257 56.338 56.100 -0.033 0.000 1.114 47 R CB 0.540 30.841 30.300 0.001 0.000 1.256 47 R HN 0.175 nan 8.270 nan 0.000 0.536 48 T N -3.750 110.695 114.554 -0.181 0.000 3.085 48 T HA 0.120 4.470 4.350 -0.000 0.000 0.264 48 T C 0.471 175.208 174.700 0.063 0.000 1.019 48 T CA -0.207 61.769 62.100 -0.207 0.000 0.910 48 T CB 0.212 68.940 68.868 -0.234 0.000 1.059 48 T HN 0.248 nan 8.240 nan 0.000 0.542 49 T N 2.904 117.477 114.554 0.031 0.000 2.780 49 T HA 0.600 4.950 4.350 -0.000 0.000 0.294 49 T C -0.477 174.250 174.700 0.044 0.000 0.949 49 T CA -0.299 61.821 62.100 0.034 0.000 1.074 49 T CB 0.285 69.159 68.868 0.010 0.000 0.910 49 T HN 0.304 nan 8.240 nan 0.000 0.501 50 L N 6.085 127.314 121.223 0.011 0.000 2.342 50 L HA 0.457 4.797 4.340 -0.000 0.000 0.271 50 L C -0.914 175.878 176.870 -0.130 0.000 1.008 50 L CA -1.871 52.937 54.840 -0.054 0.000 0.818 50 L CB 2.031 44.040 42.059 -0.084 0.000 1.296 50 L HN 0.502 nan 8.230 nan 0.000 0.427 51 P HA 0.175 nan 4.420 nan 0.000 0.240 51 P C 0.537 177.751 177.300 -0.144 0.000 1.190 51 P CA 0.598 63.490 63.100 -0.347 0.000 0.781 51 P CB 0.878 31.991 31.700 -0.977 0.000 0.931 52 G N -0.088 108.694 108.800 -0.031 0.000 2.451 52 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.208 52 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.208 52 G C -0.900 174.120 174.900 0.200 0.000 1.248 52 G CA -0.383 44.773 45.100 0.094 0.000 0.989 52 G HN 0.216 nan 8.290 nan 0.000 0.559 53 S N -0.130 115.711 115.700 0.235 0.000 2.489 53 S HA 0.588 5.058 4.470 -0.000 0.000 0.291 53 S C 0.228 174.988 174.600 0.266 0.000 1.151 53 S CA -0.361 57.964 58.200 0.209 0.000 1.082 53 S CB 1.530 64.754 63.200 0.039 0.000 1.019 53 S HN 1.189 nan 8.310 nan 0.000 0.492 54 L N 4.553 125.869 121.223 0.155 0.000 2.540 54 L HA 0.092 4.432 4.340 -0.000 0.000 0.276 54 L C -0.061 176.885 176.870 0.126 0.000 1.212 54 L CA 0.183 54.935 54.840 -0.148 0.000 0.893 54 L CB 0.117 42.074 42.059 -0.169 0.000 1.138 54 L HN 0.730 nan 8.230 nan 0.000 0.491 55 W N 7.024 128.310 121.300 -0.023 0.000 2.469 55 W HA 0.400 5.060 4.660 0.001 0.000 0.321 55 W C -0.573 176.001 176.519 0.090 0.000 1.415 55 W CA -0.275 57.104 57.345 0.056 0.000 1.308 55 W CB 0.468 29.931 29.460 0.006 0.000 1.368 55 W HN 0.748 nan 8.180 nan 0.000 0.546 56 A N 5.264 128.044 122.820 -0.068 0.000 2.318 56 A HA 0.469 4.789 4.320 -0.000 0.000 0.324 56 A C -1.415 176.093 177.584 -0.127 0.000 1.170 56 A CA -0.551 51.303 52.037 -0.306 0.000 0.810 56 A CB 1.450 20.023 19.000 -0.710 0.000 1.198 56 A HN 0.612 nan 8.150 nan 0.000 0.484 57 D N 1.081 121.540 120.400 0.099 0.000 2.819 57 D HA 0.594 5.234 4.640 -0.000 0.000 0.232 57 D C 0.721 177.200 176.300 0.297 0.000 1.160 57 D CA 0.159 54.256 54.000 0.162 0.000 0.858 57 D CB 1.958 42.783 40.800 0.041 0.000 1.610 57 D HN 0.465 nan 8.370 nan 0.000 0.481 58 A N 2.663 125.640 122.820 0.262 0.000 1.968 58 A HA -0.018 4.302 4.320 -0.000 0.000 0.217 58 A C 1.171 178.902 177.584 0.246 0.000 1.169 58 A CA 1.588 53.786 52.037 0.268 0.000 0.638 58 A CB -0.132 18.963 19.000 0.159 0.000 0.812 58 A HN 0.685 nan 8.150 nan 0.000 0.446 59 D N -3.892 116.534 120.400 0.043 0.000 2.503 59 D HA 0.084 4.723 4.640 -0.000 0.000 0.218 59 D C 0.347 176.343 176.300 -0.506 0.000 1.183 59 D CA 0.094 54.020 54.000 -0.123 0.000 0.827 59 D CB -0.600 40.144 40.800 -0.095 0.000 1.034 59 D HN 0.109 nan 8.370 nan 0.000 0.510 60 N N 0.154 118.450 118.700 -0.674 0.000 2.828 60 N HA -0.189 4.551 4.740 -0.000 0.000 0.248 60 N C -1.116 174.124 175.510 -0.450 0.000 1.044 60 N CA 0.851 53.492 53.050 -0.682 0.000 0.851 60 N CB -0.944 36.888 38.487 -1.092 0.000 1.136 60 N HN 0.542 nan 8.380 nan 0.000 0.572 61 Q N -0.360 119.086 119.800 -0.590 0.000 2.333 61 Q HA 0.371 4.711 4.340 -0.000 0.000 0.268 61 Q C -0.712 174.952 176.000 -0.560 0.000 1.007 61 Q CA -0.359 55.264 55.803 -0.299 0.000 0.810 61 Q CB 0.748 29.500 28.738 0.023 0.000 1.264 61 Q HN 0.241 nan 8.270 nan 0.000 0.452 62 F N 1.996 121.755 119.950 -0.320 0.000 2.438 62 F HA 0.321 4.848 4.527 -0.000 0.000 0.315 62 F C 0.112 175.684 175.800 -0.381 0.000 1.258 62 F CA -0.356 57.490 58.000 -0.256 0.000 1.180 62 F CB 0.226 39.048 39.000 -0.297 0.000 1.412 62 F HN 0.541 nan 8.300 nan 0.000 0.544 63 F N 0.629 120.636 119.950 0.096 0.000 2.664 63 F HA 0.402 4.929 4.527 -0.000 0.000 0.303 63 F C 1.424 177.278 175.800 0.091 0.000 1.092 63 F CA -0.417 57.627 58.000 0.074 0.000 1.305 63 F CB -0.028 38.992 39.000 0.032 0.000 1.054 63 F HN 0.213 nan 8.300 nan 0.000 0.565 64 A N 0.271 123.246 122.820 0.257 0.000 2.351 64 A HA 0.340 4.660 4.320 -0.000 0.000 0.257 64 A C 1.546 179.277 177.584 0.245 0.000 1.087 64 A CA 0.284 52.465 52.037 0.239 0.000 0.798 64 A CB 0.293 19.443 19.000 0.250 0.000 1.033 64 A HN 0.334 nan 8.150 nan 0.000 0.488 65 S N 0.915 116.752 115.700 0.229 0.000 2.399 65 S HA -0.259 4.211 4.470 -0.000 0.000 0.231 65 S C 1.655 176.436 174.600 0.301 0.000 1.022 65 S CA 1.805 60.140 58.200 0.224 0.000 0.983 65 S CB -0.793 62.519 63.200 0.187 0.000 0.803 65 S HN 0.816 nan 8.310 nan 0.000 0.480 66 Y N 2.637 123.083 120.300 0.245 0.000 2.333 66 Y HA -0.110 4.440 4.550 0.000 0.000 0.290 66 Y C 1.523 177.741 175.900 0.531 0.000 1.144 66 Y CA 1.672 59.985 58.100 0.355 0.000 1.228 66 Y CB -0.247 38.353 38.460 0.233 0.000 0.985 66 Y HN 0.232 nan 8.280 nan 0.000 0.542 67 D N -0.061 120.600 120.400 0.435 0.000 2.183 67 D HA -0.119 4.521 4.640 -0.000 0.000 0.203 67 D C 2.308 178.544 176.300 -0.108 0.000 0.969 67 D CA 1.072 55.207 54.000 0.224 0.000 0.842 67 D CB -0.596 40.370 40.800 0.277 0.000 0.957 67 D HN 0.449 nan 8.370 nan 0.000 0.484 68 A N 1.990 124.795 122.820 -0.025 0.000 1.881 68 A HA -0.208 4.112 4.320 -0.000 0.000 0.219 68 A C -0.203 177.253 177.584 -0.213 0.000 1.215 68 A CA 2.081 54.056 52.037 -0.104 0.000 0.648 68 A CB -1.762 17.230 19.000 -0.013 0.000 0.832 68 A HN 0.223 nan 8.150 nan 0.000 0.455 69 P HA -0.040 nan 4.420 nan 0.000 0.218 69 P C 1.550 178.604 177.300 -0.410 0.000 1.149 69 P CA 1.766 64.681 63.100 -0.309 0.000 0.817 69 P CB -0.146 31.327 31.700 -0.378 0.000 0.785 70 A N -0.506 121.969 122.820 -0.575 0.000 1.897 70 A HA -0.097 4.223 4.320 -0.000 0.000 0.215 70 A C 2.325 179.552 177.584 -0.594 0.000 1.181 70 A CA 1.415 53.007 52.037 -0.741 0.000 0.620 70 A CB -1.613 16.397 19.000 -1.650 0.000 0.821 70 A HN 0.002 nan 8.150 nan 0.000 0.443 71 V N 0.894 120.466 119.914 -0.571 0.000 2.287 71 V HA -0.288 3.832 4.120 -0.000 0.000 0.248 71 V C 2.198 178.074 176.094 -0.364 0.000 1.053 71 V CA 2.480 64.496 62.300 -0.474 0.000 1.027 71 V CB -0.796 30.777 31.823 -0.415 0.000 0.646 71 V HN 0.505 nan 8.190 nan 0.000 0.447 72 D N 0.059 120.235 120.400 -0.373 0.000 2.117 72 D HA -0.067 4.573 4.640 -0.000 0.000 0.198 72 D C 2.218 178.334 176.300 -0.307 0.000 0.982 72 D CA 1.552 55.291 54.000 -0.436 0.000 0.828 72 D CB -0.358 40.282 40.800 -0.267 0.000 0.967 72 D HN 0.435 nan 8.370 nan 0.000 0.464 73 A N 0.306 122.963 122.820 -0.272 0.000 1.902 73 A HA -0.231 4.089 4.320 -0.000 0.000 0.217 73 A C 2.054 179.606 177.584 -0.053 0.000 1.181 73 A CA 1.799 53.697 52.037 -0.231 0.000 0.623 73 A CB -0.792 18.047 19.000 -0.267 0.000 0.818 73 A HN 0.257 nan 8.150 nan 0.000 0.443 74 H N -2.188 116.767 119.070 -0.191 0.000 2.276 74 H HA -0.166 4.390 4.556 0.000 0.000 0.301 74 H C 1.886 177.140 175.328 -0.123 0.000 1.073 74 H CA 2.252 58.205 56.048 -0.159 0.000 1.311 74 H CB -0.538 29.064 29.762 -0.265 0.000 1.379 74 H HN 0.546 nan 8.280 nan 0.000 0.494 75 Y N -0.140 119.992 120.300 -0.280 0.000 2.145 75 Y HA -0.308 4.242 4.550 -0.000 0.000 0.286 75 Y C 2.012 177.795 175.900 -0.196 0.000 1.145 75 Y CA 2.021 59.932 58.100 -0.315 0.000 1.148 75 Y CB -0.609 37.587 38.460 -0.440 0.000 0.981 75 Y HN 0.328 nan 8.280 nan 0.000 0.507 76 Y N -0.875 119.476 120.300 0.086 0.000 2.293 76 Y HA -0.176 4.374 4.550 -0.000 0.000 0.291 76 Y C 2.560 178.454 175.900 -0.009 0.000 1.137 76 Y CA 0.244 58.369 58.100 0.041 0.000 1.202 76 Y CB -0.372 38.123 38.460 0.059 0.000 0.990 76 Y HN 0.251 nan 8.280 nan 0.000 0.537 77 A N 0.310 123.199 122.820 0.116 0.000 1.969 77 A HA -0.069 4.251 4.320 -0.000 0.000 0.218 77 A C 2.458 180.074 177.584 0.052 0.000 1.169 77 A CA 1.492 53.598 52.037 0.114 0.000 0.635 77 A CB -1.300 17.762 19.000 0.103 0.000 0.810 77 A HN 0.463 nan 8.150 nan 0.000 0.445 78 G N -0.309 108.420 108.800 -0.119 0.000 2.421 78 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.216 78 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.216 78 G C 1.506 176.396 174.900 -0.017 0.000 1.171 78 G CA 1.240 46.249 45.100 -0.152 0.000 0.775 78 G HN 0.296 nan 8.290 nan 0.000 0.543 79 V N 1.113 120.992 119.914 -0.059 0.000 2.287 79 V HA -0.218 3.901 4.120 -0.000 0.000 0.248 79 V C 3.163 179.367 176.094 0.182 0.000 1.053 79 V CA 2.425 64.779 62.300 0.089 0.000 1.027 79 V CB -1.059 30.847 31.823 0.139 0.000 0.646 79 V HN 0.396 nan 8.190 nan 0.000 0.447 80 T N -0.970 113.690 114.554 0.177 0.000 2.746 80 T HA -0.254 4.096 4.350 -0.000 0.000 0.267 80 T C 1.728 176.596 174.700 0.280 0.000 1.039 80 T CA 2.152 64.376 62.100 0.208 0.000 1.142 80 T CB -0.421 68.583 68.868 0.228 0.000 0.866 80 T HN 0.622 nan 8.240 nan 0.000 0.444 81 Y N 2.281 122.666 120.300 0.143 0.000 2.165 81 Y HA -0.213 4.337 4.550 -0.000 0.000 0.286 81 Y C 2.015 177.958 175.900 0.072 0.000 1.155 81 Y CA 1.633 59.802 58.100 0.115 0.000 1.164 81 Y CB -0.331 38.149 38.460 0.033 0.000 0.978 81 Y HN 0.128 nan 8.280 nan 0.000 0.513 82 D N -0.755 119.774 120.400 0.215 0.000 2.117 82 D HA -0.237 4.403 4.640 -0.000 0.000 0.197 82 D C 1.889 178.116 176.300 -0.122 0.000 0.987 82 D CA 1.733 55.796 54.000 0.105 0.000 0.829 82 D CB -0.862 40.068 40.800 0.216 0.000 0.961 82 D HN 0.582 nan 8.370 nan 0.000 0.460 83 Y N 0.220 120.282 120.300 -0.398 0.000 2.114 83 Y HA -0.320 4.230 4.550 -0.000 0.000 0.284 83 Y C 2.171 177.719 175.900 -0.587 0.000 1.143 83 Y CA 1.633 59.188 58.100 -0.909 0.000 1.135 83 Y CB -0.625 37.309 38.460 -0.876 0.000 0.980 83 Y HN -0.028 nan 8.280 nan 0.000 0.499 84 Y N 0.737 120.811 120.300 -0.376 0.000 2.165 84 Y HA -0.266 4.284 4.550 -0.000 0.000 0.286 84 Y C 2.758 178.371 175.900 -0.478 0.000 1.155 84 Y CA 2.031 59.886 58.100 -0.408 0.000 1.164 84 Y CB -0.288 38.025 38.460 -0.245 0.000 0.978 84 Y HN 0.112 nan 8.280 nan 0.000 0.513 85 K N 0.175 120.365 120.400 -0.349 0.000 2.001 85 K HA -0.168 4.152 4.320 -0.000 0.000 0.208 85 K C 1.661 178.089 176.600 -0.287 0.000 1.048 85 K CA 1.570 57.653 56.287 -0.341 0.000 0.932 85 K CB -0.128 32.141 32.500 -0.385 0.000 0.715 85 K HN 0.263 nan 8.250 nan 0.000 0.437 86 N N 0.392 118.918 118.700 -0.290 0.000 2.188 86 N HA -0.118 4.622 4.740 -0.000 0.000 0.184 86 N C 1.802 177.107 175.510 -0.341 0.000 1.018 86 N CA 1.062 53.972 53.050 -0.234 0.000 0.858 86 N CB -0.105 38.326 38.487 -0.094 0.000 0.989 86 N HN 0.039 nan 8.380 nan 0.000 0.426 87 V N 0.185 119.731 119.914 -0.613 0.000 2.575 87 V HA -0.024 4.096 4.120 -0.000 0.000 0.242 87 V C 1.204 176.745 176.094 -0.922 0.000 1.045 87 V CA 1.063 62.867 62.300 -0.828 0.000 1.065 87 V CB -0.224 30.844 31.823 -1.258 0.000 0.717 87 V HN 0.363 nan 8.190 nan 0.000 0.467 88 H N -0.900 117.812 119.070 -0.597 0.000 2.755 88 H HA 0.302 4.858 4.556 -0.000 0.000 0.273 88 H C 0.493 175.559 175.328 -0.436 0.000 1.055 88 H CA -0.155 55.509 56.048 -0.640 0.000 1.191 88 H CB 0.270 29.304 29.762 -1.214 0.000 1.536 88 H HN 0.335 nan 8.280 nan 0.000 0.529 89 N N 1.452 119.998 118.700 -0.257 0.000 2.735 89 N HA -0.195 4.545 4.740 -0.000 0.000 0.248 89 N C -0.022 175.409 175.510 -0.131 0.000 1.083 89 N CA 0.438 53.385 53.050 -0.171 0.000 0.703 89 N CB -0.556 37.858 38.487 -0.122 0.000 1.005 89 N HN 0.460 nan 8.380 nan 0.000 0.550 90 R N 0.778 121.187 120.500 -0.151 0.000 2.445 90 R HA 0.442 4.782 4.340 -0.000 0.000 0.308 90 R C -0.222 175.948 176.300 -0.217 0.000 0.961 90 R CA -0.560 55.469 56.100 -0.118 0.000 0.862 90 R CB 0.804 31.074 30.300 -0.049 0.000 1.144 90 R HN 0.095 nan 8.270 nan 0.000 0.447 91 L N 4.186 125.293 121.223 -0.194 0.000 2.268 91 L HA 0.240 4.580 4.340 -0.000 0.000 0.289 91 L C 0.493 177.239 176.870 -0.205 0.000 1.064 91 L CA -0.011 54.701 54.840 -0.213 0.000 0.824 91 L CB 1.014 43.021 42.059 -0.088 0.000 1.202 91 L HN 0.959 nan 8.230 nan 0.000 0.433 92 S N 1.977 117.522 115.700 -0.258 0.000 3.460 92 S HA -0.303 4.167 4.470 -0.000 0.000 0.637 92 S C 0.930 175.343 174.600 -0.311 0.000 2.505 92 S CA 1.124 59.244 58.200 -0.133 0.000 2.686 92 S CB -0.385 62.751 63.200 -0.108 0.000 0.330 92 S HN 0.732 nan 8.310 nan 0.000 1.795 93 Y N 1.008 121.158 120.300 -0.249 0.000 2.293 93 Y HA 0.099 4.649 4.550 -0.000 0.000 0.291 93 Y C 1.887 177.505 175.900 -0.471 0.000 1.137 93 Y CA 1.523 59.386 58.100 -0.395 0.000 1.202 93 Y CB -0.618 37.608 38.460 -0.391 0.000 0.990 93 Y HN 0.643 nan 8.280 nan 0.000 0.537 94 D N -0.607 119.285 120.400 -0.846 0.000 2.349 94 D HA 0.135 4.775 4.640 -0.000 0.000 0.214 94 D C 1.808 177.894 176.300 -0.357 0.000 1.063 94 D CA 0.549 54.103 54.000 -0.743 0.000 0.847 94 D CB -0.102 40.099 40.800 -0.999 0.000 0.933 94 D HN 0.537 nan 8.370 nan 0.000 0.513 95 G N 0.769 109.382 108.800 -0.312 0.000 2.159 95 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.256 95 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.256 95 G C 0.528 175.338 174.900 -0.151 0.000 0.977 95 G CA 0.216 45.203 45.100 -0.187 0.000 0.652 95 G HN 0.448 nan 8.290 nan 0.000 0.531 96 N N 0.478 119.065 118.700 -0.190 0.000 2.377 96 N HA 0.130 4.870 4.740 -0.000 0.000 0.259 96 N C 0.677 176.115 175.510 -0.119 0.000 1.332 96 N CA 0.268 53.242 53.050 -0.127 0.000 0.877 96 N CB -0.185 38.237 38.487 -0.108 0.000 1.299 96 N HN 0.522 nan 8.380 nan 0.000 0.501 97 N N 0.065 118.695 118.700 -0.118 0.000 2.747 97 N HA -0.193 4.546 4.740 -0.000 0.000 0.249 97 N C -0.165 175.286 175.510 -0.099 0.000 1.107 97 N CA 0.401 53.426 53.050 -0.041 0.000 0.707 97 N CB -0.635 37.865 38.487 0.023 0.000 1.054 97 N HN 0.326 nan 8.380 nan 0.000 0.555 98 A N 0.369 123.024 122.820 -0.276 0.000 2.561 98 A HA 0.468 4.788 4.320 -0.000 0.000 0.234 98 A C 1.018 178.552 177.584 -0.083 0.000 1.055 98 A CA 0.565 52.439 52.037 -0.272 0.000 0.756 98 A CB 0.275 18.894 19.000 -0.635 0.000 0.986 98 A HN 0.519 nan 8.150 nan 0.000 0.505 99 A N 2.216 125.105 122.820 0.115 0.000 2.498 99 A HA 0.477 4.797 4.320 -0.000 0.000 0.239 99 A C 0.124 177.958 177.584 0.417 0.000 1.068 99 A CA 0.044 52.263 52.037 0.304 0.000 0.766 99 A CB -0.168 19.065 19.000 0.389 0.000 1.003 99 A HN 0.738 nan 8.150 nan 0.000 0.497 100 I N 2.177 123.008 120.570 0.436 0.000 2.336 100 I HA 0.377 4.546 4.170 -0.000 0.000 0.292 100 I C 0.434 176.839 176.117 0.478 0.000 0.991 100 I CA -0.107 61.484 61.300 0.486 0.000 1.227 100 I CB 1.364 39.585 38.000 0.368 0.000 1.366 100 I HN 0.689 nan 8.210 nan 0.000 0.466 101 R N 3.723 124.484 120.500 0.436 0.000 2.599 101 R HA 0.673 5.013 4.340 -0.000 0.000 0.295 101 R C -1.161 175.337 176.300 0.330 0.000 0.963 101 R CA -0.455 55.904 56.100 0.432 0.000 0.883 101 R CB 2.286 32.752 30.300 0.277 0.000 1.171 101 R HN 0.560 nan 8.270 nan 0.000 0.450 102 S N 0.364 116.300 115.700 0.394 0.000 2.548 102 S HA 0.512 4.982 4.470 -0.000 0.000 0.286 102 S C -1.103 173.698 174.600 0.335 0.000 1.098 102 S CA -0.802 57.588 58.200 0.317 0.000 0.930 102 S CB 2.191 65.632 63.200 0.401 0.000 1.070 102 S HN 0.443 nan 8.310 nan 0.000 0.480 103 S N 1.692 117.506 115.700 0.191 0.000 2.473 103 S HA 0.708 5.178 4.470 -0.000 0.000 0.307 103 S C -0.099 174.634 174.600 0.223 0.000 1.094 103 S CA -0.739 57.582 58.200 0.203 0.000 1.070 103 S CB 1.326 64.560 63.200 0.055 0.000 1.019 103 S HN 0.680 nan 8.310 nan 0.000 0.480 104 V N 0.570 120.630 119.914 0.243 0.000 3.096 104 V HA 0.670 4.790 4.120 -0.000 0.000 0.319 104 V C 0.028 176.230 176.094 0.179 0.000 1.103 104 V CA -0.719 61.665 62.300 0.140 0.000 1.016 104 V CB 0.799 32.565 31.823 -0.095 0.000 1.090 104 V HN 0.997 nan 8.190 nan 0.000 0.449 105 H N -1.150 118.041 119.070 0.201 0.000 2.826 105 H HA -0.205 4.351 4.556 0.000 0.000 0.306 105 H C -0.579 174.899 175.328 0.249 0.000 1.235 105 H CA 1.186 57.343 56.048 0.181 0.000 1.150 105 H CB -1.683 28.040 29.762 -0.065 0.000 1.409 105 H HN 0.948 nan 8.280 nan 0.000 0.420 106 Y N 1.049 121.478 120.300 0.215 0.000 2.335 106 Y HA 0.360 4.910 4.550 0.001 0.000 0.331 106 Y C 1.131 177.115 175.900 0.140 0.000 1.094 106 Y CA 1.058 59.225 58.100 0.113 0.000 1.253 106 Y CB 0.799 39.248 38.460 -0.019 0.000 1.203 106 Y HN 0.510 nan 8.280 nan 0.000 0.508 107 S N 3.441 118.869 115.700 -0.452 0.000 3.307 107 S HA -0.259 4.211 4.470 -0.000 0.000 0.634 107 S C -1.019 173.626 174.600 0.076 0.000 2.711 107 S CA 0.907 58.924 58.200 -0.305 0.000 2.940 107 S CB -0.677 62.196 63.200 -0.546 0.000 0.331 107 S HN 0.885 nan 8.310 nan 0.000 1.766 108 Q N 0.099 119.942 119.800 0.071 0.000 2.337 108 Q HA 0.517 4.857 4.340 -0.000 0.000 0.270 108 Q C 0.576 176.651 176.000 0.126 0.000 1.043 108 Q CA -0.152 55.689 55.803 0.062 0.000 0.794 108 Q CB 1.612 30.328 28.738 -0.037 0.000 1.281 108 Q HN 1.765 nan 8.270 nan 0.000 0.446 109 G N 1.857 110.738 108.800 0.135 0.000 2.341 109 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.292 109 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.292 109 G C -0.515 174.511 174.900 0.210 0.000 1.021 109 G CA 0.434 45.624 45.100 0.151 0.000 0.905 109 G HN 0.620 nan 8.290 nan 0.000 0.508 110 Y N 1.008 121.395 120.300 0.145 0.000 2.480 110 Y HA 0.340 4.890 4.550 -0.000 0.000 0.341 110 Y C 0.744 176.734 175.900 0.151 0.000 1.031 110 Y CA -0.865 57.339 58.100 0.173 0.000 1.295 110 Y CB 0.505 39.124 38.460 0.265 0.000 1.162 110 Y HN 0.161 nan 8.280 nan 0.000 0.523 111 N N 5.938 124.430 118.700 -0.345 0.000 3.052 111 N HA 0.069 4.808 4.740 -0.000 0.000 0.302 111 N C -0.819 174.404 175.510 -0.478 0.000 1.332 111 N CA 0.100 53.019 53.050 -0.219 0.000 1.129 111 N CB -0.436 38.133 38.487 0.137 0.000 1.436 111 N HN 0.622 nan 8.380 nan 0.000 0.536 112 N N -0.138 118.232 118.700 -0.550 0.000 3.179 112 N HA 0.614 5.354 4.740 -0.000 0.000 0.250 112 N C -1.860 173.669 175.510 0.032 0.000 1.507 112 N CA -0.417 52.439 53.050 -0.323 0.000 0.883 112 N CB 1.692 40.008 38.487 -0.284 0.000 1.435 112 N HN 0.083 nan 8.380 nan 0.000 0.532 113 A N 0.313 123.193 122.820 0.101 0.000 2.549 113 A HA 0.819 5.139 4.320 -0.000 0.000 0.297 113 A C -1.694 175.986 177.584 0.160 0.000 1.061 113 A CA -0.556 51.490 52.037 0.015 0.000 0.690 113 A CB 0.758 19.729 19.000 -0.048 0.000 1.287 113 A HN 0.626 nan 8.150 nan 0.000 0.402 114 F N -1.496 118.355 119.950 -0.165 0.000 2.713 114 F HA 0.743 5.269 4.527 -0.000 0.000 0.311 114 F C -1.245 174.510 175.800 -0.075 0.000 1.141 114 F CA -1.222 56.733 58.000 -0.075 0.000 0.939 114 F CB 1.158 40.104 39.000 -0.091 0.000 1.325 114 F HN 0.788 nan 8.300 nan 0.000 0.453 115 W N 4.953 126.235 121.300 -0.029 0.000 2.376 115 W HA 0.295 4.955 4.660 0.001 0.000 0.312 115 W C -0.523 175.990 176.519 -0.011 0.000 1.060 115 W CA -0.712 56.564 57.345 -0.114 0.000 1.221 115 W CB 1.753 31.174 29.460 -0.066 0.000 1.281 115 W HN 0.853 nan 8.180 nan 0.000 0.456 116 N N 4.156 122.492 118.700 -0.607 0.000 2.370 116 N HA 0.101 4.841 4.740 -0.000 0.000 0.198 116 N C 1.080 176.258 175.510 -0.553 0.000 1.156 116 N CA 0.786 53.611 53.050 -0.376 0.000 0.839 116 N CB 0.245 38.620 38.487 -0.187 0.000 0.989 116 N HN 0.804 nan 8.380 nan 0.000 0.468 117 G N -0.779 107.410 108.800 -1.019 0.000 2.259 117 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.217 117 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.217 117 G C 0.687 175.262 174.900 -0.542 0.000 1.001 117 G CA 0.424 45.247 45.100 -0.461 0.000 0.627 117 G HN 0.706 nan 8.290 nan 0.000 0.501 118 S N -0.426 114.644 115.700 -1.050 0.000 2.661 118 S HA 0.499 4.969 4.470 -0.000 0.000 0.275 118 S C 0.095 174.141 174.600 -0.923 0.000 1.075 118 S CA 0.779 58.523 58.200 -0.760 0.000 1.251 118 S CB 0.824 63.863 63.200 -0.269 0.000 1.167 118 S HN 1.412 nan 8.310 nan 0.000 0.648 119 E N 0.475 119.909 120.200 -1.277 0.000 2.429 119 E HA 0.587 4.937 4.350 -0.000 0.000 0.280 119 E C -1.500 174.789 176.600 -0.519 0.000 1.068 119 E CA -1.132 54.905 56.400 -0.604 0.000 0.837 119 E CB 0.719 30.218 29.700 -0.334 0.000 1.357 119 E HN 0.062 nan 8.360 nan 0.000 0.455 120 M N 1.360 120.894 119.600 -0.110 0.000 2.277 120 M HA 0.481 4.961 4.480 -0.000 0.000 0.350 120 M C -0.986 175.025 176.300 -0.482 0.000 1.180 120 M CA -0.919 54.278 55.300 -0.173 0.000 1.103 120 M CB 1.737 34.390 32.600 0.088 0.000 1.577 120 M HN 0.384 nan 8.290 nan 0.000 0.459 121 V N 3.061 122.427 119.914 -0.914 0.000 2.638 121 V HA 0.464 4.584 4.120 -0.000 0.000 0.306 121 V C -1.524 173.974 176.094 -0.994 0.000 1.052 121 V CA -0.795 60.905 62.300 -1.001 0.000 0.885 121 V CB 1.730 32.526 31.823 -1.713 0.000 0.999 121 V HN 0.667 nan 8.190 nan 0.000 0.424 122 Y N 1.818 121.998 120.300 -0.200 0.000 2.361 122 Y HA 0.709 5.259 4.550 -0.000 0.000 0.337 122 Y C 0.823 176.807 175.900 0.140 0.000 0.965 122 Y CA -0.478 57.610 58.100 -0.019 0.000 1.091 122 Y CB 2.262 40.712 38.460 -0.017 0.000 1.182 122 Y HN 0.782 nan 8.280 nan 0.000 0.450 123 G N 1.043 110.090 108.800 0.413 0.000 2.562 123 G HA2 0.118 4.078 3.960 -0.000 0.000 0.275 123 G HA3 0.118 4.078 3.960 -0.000 0.000 0.275 123 G C 0.080 175.173 174.900 0.322 0.000 1.196 123 G CA -0.439 44.978 45.100 0.528 0.000 0.908 123 G HN 0.683 nan 8.290 nan 0.000 0.524 124 D N -0.298 120.299 120.400 0.328 0.000 2.350 124 D HA 0.229 4.869 4.640 -0.000 0.000 0.213 124 D C 1.600 178.032 176.300 0.220 0.000 1.031 124 D CA 1.228 55.386 54.000 0.262 0.000 0.861 124 D CB 0.279 41.287 40.800 0.346 0.000 0.926 124 D HN 0.899 nan 8.370 nan 0.000 0.520 125 G N 2.109 111.036 108.800 0.212 0.000 2.814 125 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.677 125 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.677 125 G C 0.131 175.145 174.900 0.190 0.000 1.429 125 G CA 0.033 45.264 45.100 0.217 0.000 0.868 125 G HN 0.192 nan 8.290 nan 0.000 0.553 126 D N -0.853 119.649 120.400 0.170 0.000 2.349 126 D HA 0.409 5.049 4.640 -0.000 0.000 0.214 126 D C 1.832 178.186 176.300 0.090 0.000 1.063 126 D CA 1.114 55.183 54.000 0.114 0.000 0.847 126 D CB -0.003 40.848 40.800 0.086 0.000 0.933 126 D HN 2.186 nan 8.370 nan 0.000 0.513 127 G N -0.173 108.690 108.800 0.106 0.000 2.175 127 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.244 127 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.244 127 G C 0.877 175.796 174.900 0.030 0.000 0.982 127 G CA 0.473 45.617 45.100 0.074 0.000 0.641 127 G HN 0.438 nan 8.290 nan 0.000 0.527 128 Q N -1.839 117.967 119.800 0.010 0.000 2.519 128 Q HA 0.103 4.443 4.340 -0.000 0.000 0.248 128 Q C 2.329 178.245 176.000 -0.141 0.000 0.804 128 Q CA 0.862 56.632 55.803 -0.054 0.000 0.979 128 Q CB 0.431 29.145 28.738 -0.041 0.000 1.282 128 Q HN 0.415 nan 8.270 nan 0.000 0.558 129 T N 0.030 114.516 114.554 -0.114 0.000 2.978 129 T HA 0.168 4.518 4.350 -0.000 0.000 0.262 129 T C -0.049 174.395 174.700 -0.427 0.000 1.063 129 T CA 0.861 62.791 62.100 -0.282 0.000 1.140 129 T CB 0.219 69.026 68.868 -0.101 0.000 0.886 129 T HN -0.004 nan 8.240 nan 0.000 0.470 130 F N -0.281 119.657 119.950 -0.020 0.000 2.668 130 F HA 0.509 5.036 4.527 -0.000 0.000 0.309 130 F C -0.740 175.086 175.800 0.042 0.000 1.117 130 F CA -1.688 56.334 58.000 0.037 0.000 0.951 130 F CB 1.714 40.765 39.000 0.085 0.000 1.323 130 F HN -0.093 nan 8.300 nan 0.000 0.451 131 I N -0.503 120.255 120.570 0.313 0.000 3.062 131 I HA 0.663 4.833 4.170 -0.000 0.000 0.316 131 I C -2.699 173.540 176.117 0.204 0.000 1.041 131 I CA -2.927 58.494 61.300 0.203 0.000 1.069 131 I CB 1.212 39.295 38.000 0.138 0.000 1.300 131 I HN 0.192 nan 8.210 nan 0.000 0.518 132 P HA 0.028 nan 4.420 nan 0.000 0.258 132 P C 0.375 177.722 177.300 0.078 0.000 1.172 132 P CA 0.162 63.324 63.100 0.103 0.000 0.762 132 P CB 0.346 32.076 31.700 0.050 0.000 0.764 133 L N 3.265 124.533 121.223 0.076 0.000 2.187 133 L HA -0.216 4.124 4.340 -0.000 0.000 0.213 133 L C 2.201 179.097 176.870 0.043 0.000 1.100 133 L CA 2.217 57.097 54.840 0.066 0.000 0.765 133 L CB -1.328 40.742 42.059 0.018 0.000 0.904 133 L HN 0.387 nan 8.230 nan 0.000 0.437 134 S N -1.065 114.548 115.700 -0.146 0.000 2.603 134 S HA -0.016 4.454 4.470 -0.000 0.000 0.229 134 S C 1.902 176.474 174.600 -0.048 0.000 0.972 134 S CA 0.501 58.464 58.200 -0.395 0.000 0.935 134 S CB -0.739 61.984 63.200 -0.795 0.000 0.769 134 S HN 0.401 nan 8.310 nan 0.000 0.536 135 G N 0.779 109.594 108.800 0.025 0.000 2.848 135 G HA2 0.398 4.358 3.960 -0.000 0.000 0.208 135 G HA3 0.398 4.358 3.960 -0.000 0.000 0.208 135 G C 0.459 175.436 174.900 0.128 0.000 1.152 135 G CA 0.067 45.238 45.100 0.119 0.000 0.789 135 G HN 0.674 nan 8.290 nan 0.000 0.531 136 G N -0.093 108.730 108.800 0.039 0.000 2.437 136 G HA2 0.432 4.392 3.960 -0.000 0.000 0.315 136 G HA3 0.432 4.392 3.960 -0.000 0.000 0.315 136 G C 0.666 175.425 174.900 -0.234 0.000 1.210 136 G CA -0.674 44.387 45.100 -0.066 0.000 0.943 136 G HN 0.114 nan 8.290 nan 0.000 0.471 137 I N 1.933 122.175 120.570 -0.547 0.000 2.286 137 I HA -0.170 4.000 4.170 -0.000 0.000 0.248 137 I C 2.299 178.245 176.117 -0.284 0.000 1.115 137 I CA 1.905 62.764 61.300 -0.734 0.000 1.392 137 I CB 0.201 37.642 38.000 -0.931 0.000 1.065 137 I HN 0.602 nan 8.210 nan 0.000 0.418 138 D N 0.326 120.614 120.400 -0.188 0.000 2.178 138 D HA -0.174 4.466 4.640 -0.000 0.000 0.201 138 D C 2.075 178.392 176.300 0.029 0.000 0.980 138 D CA 1.288 55.241 54.000 -0.078 0.000 0.842 138 D CB -0.997 39.755 40.800 -0.079 0.000 0.948 138 D HN 0.300 nan 8.370 nan 0.000 0.472 139 V N 0.713 120.642 119.914 0.026 0.000 2.261 139 V HA -0.237 3.883 4.120 -0.000 0.000 0.246 139 V C 2.840 179.072 176.094 0.229 0.000 1.047 139 V CA 1.438 63.802 62.300 0.107 0.000 1.015 139 V CB -0.526 31.354 31.823 0.095 0.000 0.642 139 V HN 0.138 nan 8.190 nan 0.000 0.446 140 V N 0.432 120.456 119.914 0.184 0.000 2.252 140 V HA -0.328 3.792 4.120 -0.000 0.000 0.249 140 V C 2.699 178.937 176.094 0.240 0.000 1.056 140 V CA 2.399 64.856 62.300 0.261 0.000 1.022 140 V CB -1.213 30.720 31.823 0.183 0.000 0.641 140 V HN 0.582 nan 8.190 nan 0.000 0.445 141 A N -1.053 121.853 122.820 0.144 0.000 1.969 141 A HA -0.261 4.059 4.320 -0.000 0.000 0.218 141 A C 2.060 179.738 177.584 0.156 0.000 1.169 141 A CA 1.991 54.109 52.037 0.135 0.000 0.635 141 A CB -0.854 18.164 19.000 0.030 0.000 0.810 141 A HN 0.803 nan 8.150 nan 0.000 0.445 142 H N -0.206 118.906 119.070 0.070 0.000 2.321 142 H HA -0.127 4.429 4.556 -0.000 0.000 0.300 142 H C 1.972 177.316 175.328 0.025 0.000 1.087 142 H CA 1.869 57.939 56.048 0.037 0.000 1.319 142 H CB 0.142 29.946 29.762 0.070 0.000 1.379 142 H HN 0.376 nan 8.280 nan 0.000 0.501 143 E N 0.816 121.222 120.200 0.344 0.000 2.031 143 E HA -0.171 4.179 4.350 -0.000 0.000 0.193 143 E C 2.468 179.150 176.600 0.136 0.000 0.994 143 E CA 0.687 57.287 56.400 0.333 0.000 0.800 143 E CB -0.586 29.285 29.700 0.285 0.000 0.752 143 E HN 0.479 nan 8.360 nan 0.000 0.447 144 L N 1.217 122.497 121.223 0.095 0.000 2.083 144 L HA -0.133 4.207 4.340 -0.000 0.000 0.209 144 L C 1.991 178.749 176.870 -0.186 0.000 1.083 144 L CA 1.577 56.394 54.840 -0.038 0.000 0.752 144 L CB -0.696 41.436 42.059 0.122 0.000 0.899 144 L HN 0.179 nan 8.230 nan 0.000 0.433 145 T N -1.869 112.630 114.554 -0.091 0.000 2.915 145 T HA -0.169 4.181 4.350 -0.000 0.000 0.269 145 T C 1.714 176.251 174.700 -0.273 0.000 1.071 145 T CA 0.710 62.722 62.100 -0.146 0.000 1.132 145 T CB -0.285 68.573 68.868 -0.016 0.000 0.878 145 T HN 0.380 nan 8.240 nan 0.000 0.479 146 H N 1.102 120.014 119.070 -0.264 0.000 2.387 146 H HA 0.088 4.644 4.556 0.000 0.000 0.299 146 H C 2.576 177.544 175.328 -0.600 0.000 1.090 146 H CA 1.329 57.190 56.048 -0.311 0.000 1.332 146 H CB -0.496 29.145 29.762 -0.202 0.000 1.386 146 H HN 0.411 nan 8.280 nan 0.000 0.516 147 A N 0.490 122.749 122.820 -0.935 0.000 1.902 147 A HA -0.120 4.200 4.320 -0.000 0.000 0.217 147 A C 2.858 180.241 177.584 -0.336 0.000 1.181 147 A CA 1.635 52.940 52.037 -1.220 0.000 0.623 147 A CB -0.852 16.884 19.000 -2.107 0.000 0.818 147 A HN 0.213 nan 8.150 nan 0.000 0.443 148 V N -0.250 119.481 119.914 -0.304 0.000 2.255 148 V HA -0.266 3.854 4.120 -0.000 0.000 0.247 148 V C 2.738 178.765 176.094 -0.112 0.000 1.051 148 V CA 2.577 64.753 62.300 -0.208 0.000 1.018 148 V CB -1.466 30.119 31.823 -0.396 0.000 0.641 148 V HN 0.597 nan 8.190 nan 0.000 0.445 149 T N -0.413 114.067 114.554 -0.124 0.000 2.720 149 T HA -0.218 4.132 4.350 -0.000 0.000 0.268 149 T C 1.670 176.357 174.700 -0.022 0.000 1.037 149 T CA 1.793 63.863 62.100 -0.050 0.000 1.144 149 T CB -0.455 68.412 68.868 -0.002 0.000 0.864 149 T HN 0.474 nan 8.240 nan 0.000 0.444 150 D N 0.105 120.481 120.400 -0.040 0.000 2.149 150 D HA -0.070 4.570 4.640 -0.000 0.000 0.198 150 D C 1.613 177.832 176.300 -0.134 0.000 0.990 150 D CA 1.176 55.137 54.000 -0.066 0.000 0.839 150 D CB -0.308 40.455 40.800 -0.063 0.000 0.948 150 D HN 0.498 nan 8.370 nan 0.000 0.460 151 Y N 0.138 120.420 120.300 -0.030 0.000 2.519 151 Y HA -0.028 4.522 4.550 -0.000 0.000 0.287 151 Y C 2.217 178.092 175.900 -0.042 0.000 1.128 151 Y CA 1.002 59.099 58.100 -0.004 0.000 1.282 151 Y CB 0.130 38.607 38.460 0.027 0.000 1.027 151 Y HN 0.057 nan 8.280 nan 0.000 0.551 152 T N -4.061 110.521 114.554 0.047 0.000 2.947 152 T HA 0.305 4.655 4.350 -0.000 0.000 0.180 152 T C 2.175 176.852 174.700 -0.038 0.000 0.750 152 T CA 0.356 62.438 62.100 -0.029 0.000 1.687 152 T CB -0.812 67.990 68.868 -0.110 0.000 2.488 152 T HN -0.046 nan 8.240 nan 0.000 0.417 153 A N 1.022 123.815 122.820 -0.045 0.000 1.940 153 A HA 0.342 4.662 4.320 -0.000 0.000 0.219 153 A C 2.228 179.812 177.584 -0.000 0.000 1.176 153 A CA 1.970 53.996 52.037 -0.018 0.000 0.631 153 A CB -1.788 17.213 19.000 0.002 0.000 0.814 153 A HN 2.073 nan 8.150 nan 0.000 0.446 154 G N -1.444 107.356 108.800 0.001 0.000 2.176 154 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.252 154 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.252 154 G C 0.064 174.990 174.900 0.043 0.000 1.024 154 G CA 0.190 45.294 45.100 0.006 0.000 0.755 154 G HN 0.581 nan 8.290 nan 0.000 0.507 155 L N 0.106 121.371 121.223 0.069 0.000 2.700 155 L HA 0.056 4.396 4.340 -0.000 0.000 0.276 155 L C 1.534 178.484 176.870 0.133 0.000 1.200 155 L CA 0.070 54.973 54.840 0.105 0.000 0.951 155 L CB 0.149 42.288 42.059 0.134 0.000 1.226 155 L HN 0.218 nan 8.230 nan 0.000 0.489 156 I N 3.739 124.378 120.570 0.115 0.000 2.710 156 I HA -0.178 3.992 4.170 -0.000 0.000 0.286 156 I C 0.475 176.712 176.117 0.200 0.000 1.181 156 I CA 0.471 61.849 61.300 0.130 0.000 1.430 156 I CB 0.108 38.160 38.000 0.086 0.000 1.367 156 I HN 0.452 nan 8.210 nan 0.000 0.577 157 Y N 7.032 127.361 120.300 0.048 0.000 2.971 157 Y HA 0.108 4.658 4.550 -0.000 0.000 0.384 157 Y C 0.345 176.274 175.900 0.050 0.000 1.166 157 Y CA -0.212 57.918 58.100 0.051 0.000 1.973 157 Y CB -0.253 38.230 38.460 0.037 0.000 2.082 157 Y HN 0.551 nan 8.280 nan 0.000 0.420 158 Q N 0.720 120.521 119.800 0.001 0.000 2.479 158 Q HA 0.330 4.670 4.340 -0.000 0.000 0.276 158 Q C -0.682 175.304 176.000 -0.023 0.000 0.989 158 Q CA -1.100 54.679 55.803 -0.040 0.000 0.864 158 Q CB 1.220 29.965 28.738 0.011 0.000 1.444 158 Q HN 0.351 nan 8.270 nan 0.000 0.388 159 N N 1.020 119.701 118.700 -0.031 0.000 1.220 159 N HA -0.285 4.455 4.740 -0.000 0.000 0.114 159 N C 0.610 176.109 175.510 -0.017 0.000 0.835 159 N CA 1.560 54.593 53.050 -0.029 0.000 0.863 159 N CB -0.868 37.598 38.487 -0.035 0.000 0.992 159 N HN 0.892 nan 8.380 nan 0.000 0.632 160 E N 0.470 120.637 120.200 -0.055 0.000 2.051 160 E HA -0.155 4.195 4.350 -0.000 0.000 0.192 160 E C 1.949 178.659 176.600 0.183 0.000 0.991 160 E CA 2.004 58.373 56.400 -0.051 0.000 0.799 160 E CB -0.210 29.329 29.700 -0.269 0.000 0.748 160 E HN 0.640 nan 8.360 nan 0.000 0.449 161 S N 0.331 116.104 115.700 0.121 0.000 2.399 161 S HA -0.098 4.372 4.470 -0.000 0.000 0.231 161 S C 2.190 176.886 174.600 0.159 0.000 1.022 161 S CA 1.048 59.340 58.200 0.155 0.000 0.983 161 S CB -0.613 62.654 63.200 0.112 0.000 0.803 161 S HN 0.314 nan 8.310 nan 0.000 0.480 162 G N 1.242 110.099 108.800 0.094 0.000 2.408 162 G HA2 0.158 4.118 3.960 -0.000 0.000 0.217 162 G HA3 0.158 4.118 3.960 -0.000 0.000 0.217 162 G C 1.616 176.527 174.900 0.018 0.000 1.150 162 G CA 0.631 45.738 45.100 0.011 0.000 0.776 162 G HN 0.770 nan 8.290 nan 0.000 0.542 163 A N 0.555 123.447 122.820 0.120 0.000 1.968 163 A HA 0.164 4.484 4.320 -0.000 0.000 0.217 163 A C 2.337 180.056 177.584 0.224 0.000 1.169 163 A CA 0.888 53.043 52.037 0.196 0.000 0.638 163 A CB -0.254 18.986 19.000 0.400 0.000 0.812 163 A HN 0.361 nan 8.150 nan 0.000 0.446 164 I N 0.115 120.853 120.570 0.280 0.000 2.179 164 I HA -0.269 3.901 4.170 -0.000 0.000 0.242 164 I C 2.530 178.752 176.117 0.176 0.000 1.088 164 I CA 1.402 62.824 61.300 0.204 0.000 1.357 164 I CB -0.427 37.709 38.000 0.227 0.000 1.051 164 I HN 0.406 nan 8.210 nan 0.000 0.409 165 N N 0.975 119.792 118.700 0.194 0.000 2.061 165 N HA -0.252 4.488 4.740 -0.000 0.000 0.193 165 N C 1.788 177.407 175.510 0.182 0.000 1.030 165 N CA 1.777 54.958 53.050 0.219 0.000 0.856 165 N CB -0.101 38.587 38.487 0.336 0.000 1.023 165 N HN 0.253 nan 8.380 nan 0.000 0.424 166 E N 0.684 121.003 120.200 0.197 0.000 2.051 166 E HA -0.077 4.273 4.350 -0.000 0.000 0.192 166 E C 1.933 178.586 176.600 0.088 0.000 0.991 166 E CA 1.063 57.558 56.400 0.159 0.000 0.799 166 E CB -0.641 29.104 29.700 0.075 0.000 0.748 166 E HN 0.473 nan 8.360 nan 0.000 0.449 167 A N 1.626 124.499 122.820 0.088 0.000 1.883 167 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 167 A C 2.211 179.813 177.584 0.030 0.000 1.186 167 A CA 1.385 53.456 52.037 0.055 0.000 0.624 167 A CB -0.574 18.448 19.000 0.037 0.000 0.822 167 A HN 0.168 nan 8.150 nan 0.000 0.444 168 I N 0.177 120.797 120.570 0.082 0.000 2.151 168 I HA -0.215 3.955 4.170 -0.000 0.000 0.243 168 I C 2.662 178.839 176.117 0.100 0.000 1.080 168 I CA 1.944 63.340 61.300 0.161 0.000 1.339 168 I CB -1.596 36.540 38.000 0.227 0.000 1.039 168 I HN 0.245 nan 8.210 nan 0.000 0.409 169 S N 0.420 116.025 115.700 -0.158 0.000 2.368 169 S HA -0.180 4.290 4.470 -0.000 0.000 0.225 169 S C 1.609 176.085 174.600 -0.207 0.000 1.030 169 S CA 1.407 59.325 58.200 -0.470 0.000 0.999 169 S CB -0.179 62.126 63.200 -1.493 0.000 0.844 169 S HN 0.430 nan 8.310 nan 0.000 0.459 170 D N 1.058 121.453 120.400 -0.009 0.000 2.123 170 D HA 0.035 4.675 4.640 -0.000 0.000 0.200 170 D C 1.847 178.157 176.300 0.017 0.000 0.976 170 D CA 0.693 54.779 54.000 0.145 0.000 0.831 170 D CB -0.289 40.606 40.800 0.158 0.000 0.974 170 D HN 0.337 nan 8.370 nan 0.000 0.469 171 I N -0.050 120.476 120.570 -0.074 0.000 2.113 171 I HA -0.265 3.905 4.170 -0.000 0.000 0.238 171 I C 2.015 177.931 176.117 -0.335 0.000 1.070 171 I CA 0.950 62.099 61.300 -0.252 0.000 1.332 171 I CB -0.215 37.500 38.000 -0.475 0.000 1.044 171 I HN -0.099 nan 8.210 nan 0.000 0.402 172 F N 0.747 120.663 119.950 -0.057 0.000 2.234 172 F HA -0.051 4.476 4.527 -0.000 0.000 0.299 172 F C 2.477 178.174 175.800 -0.171 0.000 1.087 172 F CA 1.245 59.188 58.000 -0.095 0.000 1.340 172 F CB -1.187 37.832 39.000 0.031 0.000 1.031 172 F HN 0.017 nan 8.300 nan 0.000 0.500 173 G N -1.054 107.770 108.800 0.040 0.000 2.422 173 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.218 173 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.218 173 G C 1.763 176.599 174.900 -0.106 0.000 1.146 173 G CA 1.453 46.550 45.100 -0.004 0.000 0.769 173 G HN 0.280 nan 8.290 nan 0.000 0.547 174 T N 1.224 115.701 114.554 -0.128 0.000 2.812 174 T HA 0.020 4.370 4.350 -0.000 0.000 0.264 174 T C 2.447 177.040 174.700 -0.179 0.000 1.042 174 T CA 0.683 62.662 62.100 -0.201 0.000 1.140 174 T CB -0.177 68.551 68.868 -0.234 0.000 0.870 174 T HN 0.151 nan 8.240 nan 0.000 0.445 175 L N 0.812 121.907 121.223 -0.213 0.000 2.042 175 L HA -0.099 4.241 4.340 -0.000 0.000 0.210 175 L C 2.611 179.302 176.870 -0.299 0.000 1.076 175 L CA 0.935 55.658 54.840 -0.196 0.000 0.749 175 L CB -0.730 41.214 42.059 -0.192 0.000 0.893 175 L HN 0.154 nan 8.230 nan 0.000 0.432 176 V N -0.223 119.402 119.914 -0.481 0.000 2.358 176 V HA -0.280 3.840 4.120 -0.000 0.000 0.246 176 V C 2.458 178.463 176.094 -0.148 0.000 1.047 176 V CA 1.903 63.931 62.300 -0.454 0.000 1.035 176 V CB -0.459 31.119 31.823 -0.408 0.000 0.658 176 V HN 0.496 nan 8.190 nan 0.000 0.452 177 E N -0.384 119.699 120.200 -0.196 0.000 2.110 177 E HA -0.232 4.118 4.350 -0.000 0.000 0.193 177 E C 2.057 178.501 176.600 -0.260 0.000 0.988 177 E CA 1.492 57.743 56.400 -0.249 0.000 0.804 177 E CB -0.131 29.363 29.700 -0.344 0.000 0.745 177 E HN 0.566 nan 8.360 nan 0.000 0.458 178 F N -0.490 119.356 119.950 -0.172 0.000 2.163 178 F HA -0.106 4.421 4.527 0.000 0.000 0.297 178 F C 2.168 177.953 175.800 -0.026 0.000 1.094 178 F CA 1.319 59.243 58.000 -0.127 0.000 1.290 178 F CB -0.649 38.247 39.000 -0.172 0.000 1.017 178 F HN 0.146 nan 8.300 nan 0.000 0.483 179 Y N 0.367 120.712 120.300 0.076 0.000 2.165 179 Y HA -0.254 4.296 4.550 -0.000 0.000 0.286 179 Y C 2.259 178.187 175.900 0.047 0.000 1.155 179 Y CA 1.634 59.779 58.100 0.075 0.000 1.164 179 Y CB -0.337 38.181 38.460 0.096 0.000 0.978 179 Y HN -0.026 nan 8.280 nan 0.000 0.513 180 A N -0.204 122.644 122.820 0.047 0.000 2.169 180 A HA -0.022 4.298 4.320 -0.000 0.000 0.212 180 A C 1.076 178.626 177.584 -0.057 0.000 1.153 180 A CA 0.809 52.825 52.037 -0.035 0.000 0.756 180 A CB -0.629 18.414 19.000 0.072 0.000 0.813 180 A HN 0.710 nan 8.150 nan 0.000 0.471 181 N N -1.454 117.211 118.700 -0.058 0.000 2.754 181 N HA -0.169 4.571 4.740 -0.000 0.000 0.248 181 N C -0.070 175.392 175.510 -0.080 0.000 1.093 181 N CA 1.100 54.113 53.050 -0.061 0.000 0.699 181 N CB -1.390 37.075 38.487 -0.036 0.000 1.016 181 N HN 0.569 nan 8.380 nan 0.000 0.552 182 K N 1.303 121.635 120.400 -0.113 0.000 2.265 182 K HA 0.171 4.491 4.320 -0.000 0.000 0.242 182 K C -0.108 176.403 176.600 -0.148 0.000 1.137 182 K CA -0.339 55.891 56.287 -0.095 0.000 1.082 182 K CB -0.307 32.145 32.500 -0.080 0.000 1.731 182 K HN 0.346 nan 8.250 nan 0.000 0.392 183 N N 1.987 120.608 118.700 -0.132 0.000 2.667 183 N HA -0.131 4.609 4.740 -0.000 0.000 0.263 183 N C -2.756 172.602 175.510 -0.254 0.000 1.038 183 N CA 0.290 53.256 53.050 -0.140 0.000 0.749 183 N CB -0.326 38.102 38.487 -0.099 0.000 0.892 183 N HN 0.428 nan 8.380 nan 0.000 0.546 184 P HA 0.286 nan 4.420 nan 0.000 0.274 184 P C -0.420 176.462 177.300 -0.697 0.000 1.237 184 P CA 0.097 62.685 63.100 -0.853 0.000 0.793 184 P CB 0.900 31.566 31.700 -1.723 0.000 0.977 185 D N -1.095 118.883 120.400 -0.704 0.000 2.779 185 D HA 0.274 4.914 4.640 -0.000 0.000 0.331 185 D C -1.177 174.981 176.300 -0.238 0.000 1.331 185 D CA -0.583 53.277 54.000 -0.235 0.000 0.866 185 D CB -0.116 40.650 40.800 -0.056 0.000 1.409 185 D HN 0.246 nan 8.370 nan 0.000 0.486 186 W N 0.103 121.459 121.300 0.093 0.000 3.015 186 W HA 0.345 5.005 4.660 -0.000 0.000 0.429 186 W C -0.186 176.342 176.519 0.016 0.000 0.976 186 W CA -0.361 57.045 57.345 0.102 0.000 2.086 186 W CB 0.639 30.182 29.460 0.138 0.000 1.125 186 W HN 0.049 nan 8.180 nan 0.000 0.721 187 E N 0.684 120.956 120.200 0.119 0.000 2.222 187 E HA 0.401 4.751 4.350 -0.000 0.000 0.267 187 E C -0.243 176.368 176.600 0.020 0.000 0.963 187 E CA -0.802 55.648 56.400 0.083 0.000 0.837 187 E CB 2.318 32.062 29.700 0.074 0.000 1.183 187 E HN -0.199 nan 8.360 nan 0.000 0.403 188 I N 0.504 121.076 120.570 0.003 0.000 2.378 188 I HA 0.267 4.436 4.170 -0.000 0.000 0.291 188 I C 1.215 177.292 176.117 -0.067 0.000 0.992 188 I CA -0.195 61.089 61.300 -0.026 0.000 1.154 188 I CB 0.577 38.573 38.000 -0.006 0.000 1.315 188 I HN 0.801 nan 8.210 nan 0.000 0.448 189 G N 5.260 114.043 108.800 -0.029 0.000 2.162 189 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.260 189 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.260 189 G C 1.022 175.960 174.900 0.064 0.000 0.976 189 G CA 0.585 45.702 45.100 0.028 0.000 0.655 189 G HN 0.753 nan 8.290 nan 0.000 0.533 190 E N 0.816 121.030 120.200 0.025 0.000 2.171 190 E HA -0.171 4.179 4.350 -0.000 0.000 0.197 190 E C 1.330 177.974 176.600 0.072 0.000 0.997 190 E CA 1.722 58.156 56.400 0.057 0.000 0.810 190 E CB -0.415 29.303 29.700 0.029 0.000 0.738 190 E HN 0.423 nan 8.360 nan 0.000 0.467 191 D N 0.720 121.151 120.400 0.053 0.000 2.277 191 D HA -0.058 4.582 4.640 -0.000 0.000 0.208 191 D C 1.913 178.269 176.300 0.094 0.000 0.962 191 D CA 1.522 55.552 54.000 0.051 0.000 0.865 191 D CB 0.480 41.290 40.800 0.017 0.000 0.939 191 D HN 0.353 nan 8.370 nan 0.000 0.510 192 V N -2.729 117.282 119.914 0.161 0.000 3.556 192 V HA 0.236 4.356 4.120 -0.000 0.000 0.287 192 V C 0.272 176.565 176.094 0.332 0.000 1.422 192 V CA -0.542 61.911 62.300 0.255 0.000 1.038 192 V CB -0.625 31.380 31.823 0.303 0.000 0.850 192 V HN -0.103 nan 8.190 nan 0.000 0.437 193 Y N 3.468 123.776 120.300 0.012 0.000 2.308 193 Y HA 0.467 5.017 4.550 -0.000 0.000 0.329 193 Y C 1.252 177.014 175.900 -0.229 0.000 1.111 193 Y CA 0.094 58.006 58.100 -0.312 0.000 1.179 193 Y CB 0.882 39.150 38.460 -0.320 0.000 1.201 193 Y HN 0.574 nan 8.280 nan 0.000 0.483 194 T N 5.119 119.170 114.554 -0.838 0.000 2.980 194 T HA -0.136 4.214 4.350 -0.000 0.000 0.455 194 T C -1.880 172.650 174.700 -0.283 0.000 0.775 194 T CA 0.098 61.834 62.100 -0.607 0.000 2.318 194 T CB -1.141 67.259 68.868 -0.781 0.000 1.636 194 T HN 0.669 nan 8.240 nan 0.000 0.543 195 P HA -0.058 nan 4.420 nan 0.000 0.220 195 P C 1.699 178.954 177.300 -0.074 0.000 1.144 195 P CA 1.613 64.666 63.100 -0.077 0.000 0.800 195 P CB -0.476 31.204 31.700 -0.033 0.000 0.772 196 G N -1.361 107.378 108.800 -0.102 0.000 2.777 196 G HA2 0.101 4.061 3.960 -0.000 0.000 0.211 196 G HA3 0.101 4.061 3.960 -0.000 0.000 0.211 196 G C 0.349 175.206 174.900 -0.072 0.000 1.149 196 G CA 0.102 45.158 45.100 -0.073 0.000 0.785 196 G HN 0.130 nan 8.290 nan 0.000 0.536 197 I N 1.054 121.562 120.570 -0.102 0.000 2.378 197 I HA 0.430 4.600 4.170 -0.000 0.000 0.291 197 I C 0.018 176.109 176.117 -0.044 0.000 0.992 197 I CA -1.798 59.458 61.300 -0.073 0.000 1.154 197 I CB 0.951 38.900 38.000 -0.086 0.000 1.315 197 I HN -0.269 nan 8.210 nan 0.000 0.448 198 S N 3.417 119.108 115.700 -0.015 0.000 2.610 198 S HA 0.566 5.036 4.470 -0.000 0.000 0.273 198 S C 1.172 175.789 174.600 0.028 0.000 1.274 198 S CA 0.420 58.622 58.200 0.005 0.000 1.023 198 S CB 1.162 64.365 63.200 0.006 0.000 0.962 198 S HN 1.154 nan 8.310 nan 0.000 0.523 199 G N 2.146 110.970 108.800 0.041 0.000 2.212 199 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.266 199 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.266 199 G C -0.124 174.840 174.900 0.107 0.000 0.978 199 G CA 0.486 45.623 45.100 0.061 0.000 0.632 199 G HN 0.782 nan 8.290 nan 0.000 0.537 200 D N 0.206 120.681 120.400 0.125 0.000 2.549 200 D HA 0.788 5.428 4.640 -0.000 0.000 0.270 200 D C 0.486 176.895 176.300 0.181 0.000 1.181 200 D CA 0.138 54.268 54.000 0.217 0.000 1.070 200 D CB 1.257 42.189 40.800 0.220 0.000 1.154 200 D HN 1.054 nan 8.370 nan 0.000 0.602 201 S N -1.822 113.908 115.700 0.050 0.000 2.636 201 S HA 0.275 4.745 4.470 -0.000 0.000 0.268 201 S C 0.301 174.435 174.600 -0.777 0.000 1.159 201 S CA -0.769 57.334 58.200 -0.162 0.000 0.815 201 S CB 0.901 64.064 63.200 -0.062 0.000 1.130 201 S HN 0.347 nan 8.310 nan 0.000 0.471 202 L N 0.675 121.388 121.223 -0.850 0.000 2.044 202 L HA 0.432 4.772 4.340 -0.000 0.000 0.205 202 L C 0.780 177.255 176.870 -0.659 0.000 1.075 202 L CA 1.565 55.822 54.840 -0.972 0.000 0.747 202 L CB -0.437 41.226 42.059 -0.661 0.000 0.903 202 L HN 0.739 nan 8.230 nan 0.000 0.435 203 R N -1.845 118.444 120.500 -0.351 0.000 2.739 203 R HA 0.474 4.814 4.340 -0.000 0.000 0.271 203 R C -1.255 175.118 176.300 0.120 0.000 1.010 203 R CA -0.529 55.543 56.100 -0.046 0.000 0.897 203 R CB 1.838 32.150 30.300 0.020 0.000 1.236 203 R HN -0.024 nan 8.270 nan 0.000 0.466 204 S N 1.080 116.933 115.700 0.256 0.000 2.502 204 S HA 0.343 4.813 4.470 -0.000 0.000 0.304 204 S C 0.567 175.211 174.600 0.073 0.000 1.097 204 S CA -0.610 57.697 58.200 0.179 0.000 1.045 204 S CB 1.265 64.549 63.200 0.139 0.000 1.019 204 S HN 0.653 nan 8.310 nan 0.000 0.481 205 M N 2.906 122.544 119.600 0.063 0.000 2.394 205 M HA 0.012 4.492 4.480 -0.000 0.000 0.266 205 M C 2.270 178.424 176.300 -0.242 0.000 1.098 205 M CA 0.839 56.155 55.300 0.026 0.000 1.149 205 M CB -0.294 32.444 32.600 0.229 0.000 1.369 205 M HN 0.794 nan 8.290 nan 0.000 0.450 206 S N -0.460 114.957 115.700 -0.472 0.000 2.383 206 S HA -0.104 4.365 4.470 -0.000 0.000 0.227 206 S C 0.669 174.895 174.600 -0.623 0.000 1.026 206 S CA 1.196 58.712 58.200 -1.140 0.000 0.981 206 S CB -0.082 62.535 63.200 -0.970 0.000 0.818 206 S HN 0.417 nan 8.310 nan 0.000 0.472 207 D N 0.887 121.099 120.400 -0.313 0.000 2.527 207 D HA 0.388 5.028 4.640 -0.000 0.000 0.242 207 D C -2.497 173.737 176.300 -0.109 0.000 1.285 207 D CA -1.990 51.895 54.000 -0.192 0.000 0.886 207 D CB 1.400 42.094 40.800 -0.177 0.000 1.402 207 D HN -0.070 nan 8.370 nan 0.000 0.528 208 P HA -0.106 nan 4.420 nan 0.000 0.218 208 P C 1.254 178.569 177.300 0.025 0.000 1.148 208 P CA 1.000 64.116 63.100 0.027 0.000 0.822 208 P CB 0.241 31.975 31.700 0.057 0.000 0.784 209 A N 0.136 122.959 122.820 0.005 0.000 2.070 209 A HA -0.213 4.107 4.320 -0.000 0.000 0.220 209 A C 2.272 179.808 177.584 -0.080 0.000 1.159 209 A CA 1.518 53.557 52.037 0.004 0.000 0.656 209 A CB -1.201 17.820 19.000 0.035 0.000 0.800 209 A HN 0.152 nan 8.150 nan 0.000 0.453 210 K N -1.280 118.995 120.400 -0.209 0.000 2.160 210 K HA -0.184 4.136 4.320 -0.000 0.000 0.206 210 K C 0.480 176.744 176.600 -0.559 0.000 1.047 210 K CA 1.796 57.822 56.287 -0.435 0.000 0.930 210 K CB -0.240 31.891 32.500 -0.616 0.000 0.720 210 K HN 0.676 nan 8.250 nan 0.000 0.450 211 Y N -1.121 119.183 120.300 0.006 0.000 2.636 211 Y HA 0.255 4.805 4.550 0.000 0.000 0.260 211 Y C 1.033 176.939 175.900 0.010 0.000 1.177 211 Y CA -0.158 57.945 58.100 0.006 0.000 1.209 211 Y CB 1.396 39.850 38.460 -0.009 0.000 1.166 211 Y HN 0.259 nan 8.280 nan 0.000 0.531 212 G N 0.033 108.883 108.800 0.084 0.000 2.159 212 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.256 212 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.256 212 G C -0.332 174.618 174.900 0.084 0.000 0.977 212 G CA 0.020 45.166 45.100 0.076 0.000 0.652 212 G HN 0.285 nan 8.290 nan 0.000 0.531 213 D N 1.643 122.105 120.400 0.103 0.000 2.264 213 D HA 0.471 5.111 4.640 -0.000 0.000 0.249 213 D C -1.893 174.479 176.300 0.120 0.000 1.070 213 D CA -1.243 52.821 54.000 0.107 0.000 0.912 213 D CB 1.386 42.258 40.800 0.120 0.000 1.193 213 D HN 0.158 nan 8.370 nan 0.000 0.427 214 P HA 0.061 nan 4.420 nan 0.000 0.269 214 P C -0.074 177.342 177.300 0.194 0.000 1.209 214 P CA -0.092 63.110 63.100 0.171 0.000 0.776 214 P CB 0.732 32.538 31.700 0.176 0.000 0.876 215 D N -0.504 120.056 120.400 0.266 0.000 2.540 215 D HA 0.091 4.731 4.640 -0.000 0.000 0.229 215 D C -0.066 176.529 176.300 0.492 0.000 1.250 215 D CA 0.082 54.277 54.000 0.324 0.000 0.817 215 D CB -0.257 40.740 40.800 0.328 0.000 1.060 215 D HN 0.401 nan 8.370 nan 0.000 0.508 216 H N -0.663 118.562 119.070 0.258 0.000 3.085 216 H HA 0.076 4.632 4.556 -0.000 0.000 0.356 216 H C -0.887 174.555 175.328 0.190 0.000 1.178 216 H CA -0.546 55.600 56.048 0.164 0.000 1.214 216 H CB 1.312 30.971 29.762 -0.171 0.000 1.881 216 H HN -0.175 nan 8.280 nan 0.000 0.538 217 Y N 2.992 123.182 120.300 -0.183 0.000 2.333 217 Y HA -0.222 4.328 4.550 -0.000 0.000 0.290 217 Y C 2.395 178.373 175.900 0.130 0.000 1.144 217 Y CA 2.287 60.411 58.100 0.041 0.000 1.228 217 Y CB 0.170 38.627 38.460 -0.006 0.000 0.985 217 Y HN 0.565 nan 8.280 nan 0.000 0.542 218 S N -0.942 114.957 115.700 0.332 0.000 2.481 218 S HA -0.094 4.376 4.470 -0.000 0.000 0.231 218 S C 1.391 176.015 174.600 0.041 0.000 0.996 218 S CA 0.811 59.102 58.200 0.152 0.000 0.942 218 S CB -0.299 62.993 63.200 0.155 0.000 0.768 218 S HN 0.484 nan 8.310 nan 0.000 0.520 219 K N 0.847 121.299 120.400 0.086 0.000 2.397 219 K HA 0.239 4.559 4.320 -0.000 0.000 0.202 219 K C 0.457 177.092 176.600 0.058 0.000 1.022 219 K CA -0.388 55.942 56.287 0.071 0.000 1.141 219 K CB 0.296 32.871 32.500 0.125 0.000 0.857 219 K HN 0.294 nan 8.250 nan 0.000 0.514 220 R N 1.359 121.841 120.500 -0.031 0.000 2.640 220 R HA -0.066 4.274 4.340 -0.000 0.000 0.270 220 R C -0.772 175.532 176.300 0.006 0.000 1.024 220 R CA 0.005 56.073 56.100 -0.053 0.000 1.085 220 R CB 0.235 30.323 30.300 -0.355 0.000 0.963 220 R HN 0.008 nan 8.270 nan 0.000 0.426 221 Y N 3.437 123.710 120.300 -0.044 0.000 2.359 221 Y HA 0.065 4.615 4.550 -0.000 0.000 0.334 221 Y C 0.761 176.625 175.900 -0.060 0.000 1.058 221 Y CA 0.280 58.361 58.100 -0.031 0.000 1.244 221 Y CB 1.276 39.739 38.460 0.005 0.000 1.187 221 Y HN 0.728 nan 8.280 nan 0.000 0.510 222 T N 1.306 115.467 114.554 -0.657 0.000 3.054 222 T HA 0.344 4.694 4.350 -0.000 0.000 0.255 222 T C 0.993 175.328 174.700 -0.609 0.000 1.035 222 T CA 0.168 61.967 62.100 -0.502 0.000 0.941 222 T CB -0.252 68.440 68.868 -0.294 0.000 1.026 222 T HN 0.731 nan 8.240 nan 0.000 0.533 223 G N 0.758 108.845 108.800 -1.189 0.000 2.529 223 G HA2 0.364 4.324 3.960 -0.000 0.000 0.277 223 G HA3 0.364 4.324 3.960 -0.000 0.000 0.277 223 G C 0.563 175.294 174.900 -0.283 0.000 1.383 223 G CA 0.186 44.846 45.100 -0.733 0.000 1.050 223 G HN 0.227 nan 8.290 nan 0.000 0.526 224 T N -0.165 114.396 114.554 0.011 0.000 2.971 224 T HA 0.129 4.479 4.350 -0.000 0.000 0.252 224 T C 1.061 175.865 174.700 0.174 0.000 1.022 224 T CA 0.178 62.331 62.100 0.087 0.000 0.980 224 T CB 0.013 68.905 68.868 0.041 0.000 1.044 224 T HN 0.661 nan 8.240 nan 0.000 0.501 225 Q N 1.389 121.353 119.800 0.274 0.000 2.443 225 Q HA 0.321 4.661 4.340 -0.000 0.000 0.232 225 Q C -0.188 175.905 176.000 0.156 0.000 1.026 225 Q CA -0.287 55.619 55.803 0.172 0.000 0.924 225 Q CB 0.078 28.881 28.738 0.107 0.000 1.256 225 Q HN 0.021 nan 8.270 nan 0.000 0.519 226 D N 0.359 120.816 120.400 0.095 0.000 2.708 226 D HA -0.257 4.383 4.640 -0.000 0.000 0.236 226 D C -1.062 175.288 176.300 0.084 0.000 1.146 226 D CA 1.326 55.388 54.000 0.104 0.000 0.662 226 D CB -1.787 39.070 40.800 0.094 0.000 1.059 226 D HN 0.947 nan 8.370 nan 0.000 0.428 227 N N -1.338 117.405 118.700 0.071 0.000 2.725 227 N HA -0.173 4.567 4.740 -0.000 0.000 0.249 227 N C 0.816 176.340 175.510 0.024 0.000 1.103 227 N CA 1.526 54.590 53.050 0.023 0.000 0.707 227 N CB -1.208 37.243 38.487 -0.061 0.000 1.043 227 N HN 0.940 nan 8.380 nan 0.000 0.553 228 G N -1.767 107.095 108.800 0.103 0.000 2.142 228 G HA2 0.140 4.100 3.960 -0.000 0.000 0.225 228 G HA3 0.140 4.100 3.960 -0.000 0.000 0.225 228 G C 0.827 175.855 174.900 0.214 0.000 1.015 228 G CA 0.527 45.699 45.100 0.119 0.000 0.716 228 G HN 1.555 nan 8.290 nan 0.000 0.508 229 G N -2.061 106.892 108.800 0.254 0.000 2.160 229 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.244 229 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.244 229 G C 1.935 176.891 174.900 0.093 0.000 1.022 229 G CA 1.624 46.846 45.100 0.202 0.000 0.741 229 G HN 2.208 nan 8.290 nan 0.000 0.508 230 V N -2.798 117.100 119.914 -0.026 0.000 2.380 230 V HA -0.221 3.899 4.120 -0.000 0.000 0.251 230 V C 2.043 178.036 176.094 -0.168 0.000 1.063 230 V CA 2.776 64.969 62.300 -0.178 0.000 1.055 230 V CB -0.704 30.801 31.823 -0.530 0.000 0.657 230 V HN 0.557 nan 8.190 nan 0.000 0.455 231 H N -0.723 118.370 119.070 0.039 0.000 2.539 231 H HA 0.417 4.973 4.556 0.000 0.000 0.267 231 H C 1.765 177.130 175.328 0.062 0.000 0.982 231 H CA 1.098 57.192 56.048 0.077 0.000 1.146 231 H CB 0.085 29.889 29.762 0.069 0.000 1.382 231 H HN 0.467 nan 8.280 nan 0.000 0.577 232 I N -0.284 120.367 120.570 0.134 0.000 2.681 232 I HA -0.092 4.078 4.170 -0.000 0.000 0.247 232 I C 1.400 177.608 176.117 0.150 0.000 1.091 232 I CA 0.275 61.634 61.300 0.099 0.000 1.442 232 I CB 0.056 38.053 38.000 -0.005 0.000 1.219 232 I HN 0.104 nan 8.210 nan 0.000 0.451 233 N N 1.143 119.961 118.700 0.197 0.000 2.550 233 N HA -0.096 4.644 4.740 -0.000 0.000 0.186 233 N C 1.862 177.562 175.510 0.316 0.000 1.110 233 N CA 1.258 54.484 53.050 0.292 0.000 0.912 233 N CB -0.262 38.430 38.487 0.342 0.000 0.968 233 N HN 0.380 nan 8.380 nan 0.000 0.448 234 S N -0.494 115.330 115.700 0.208 0.000 2.419 234 S HA -0.058 4.412 4.470 -0.000 0.000 0.233 234 S C 2.139 176.800 174.600 0.102 0.000 1.016 234 S CA 0.973 59.259 58.200 0.143 0.000 0.974 234 S CB -0.824 62.449 63.200 0.122 0.000 0.786 234 S HN 0.313 nan 8.310 nan 0.000 0.492 235 G N 2.115 110.989 108.800 0.125 0.000 2.475 235 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.220 235 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.220 235 G C 1.327 176.269 174.900 0.070 0.000 1.125 235 G CA 1.033 46.191 45.100 0.097 0.000 0.755 235 G HN 0.601 nan 8.290 nan 0.000 0.565 236 I N 0.642 121.275 120.570 0.105 0.000 2.252 236 I HA -0.120 4.050 4.170 -0.000 0.000 0.245 236 I C 2.424 178.494 176.117 -0.078 0.000 1.102 236 I CA 0.548 61.898 61.300 0.082 0.000 1.385 236 I CB -0.117 38.032 38.000 0.248 0.000 1.064 236 I HN 0.074 nan 8.210 nan 0.000 0.414 237 I N 0.669 121.138 120.570 -0.168 0.000 2.286 237 I HA -0.189 3.981 4.170 -0.000 0.000 0.245 237 I C 2.168 178.197 176.117 -0.146 0.000 1.104 237 I CA 1.301 62.477 61.300 -0.207 0.000 1.397 237 I CB -1.665 36.214 38.000 -0.202 0.000 1.072 237 I HN 0.272 nan 8.210 nan 0.000 0.417 238 N N 1.524 120.176 118.700 -0.080 0.000 2.069 238 N HA -0.234 4.506 4.740 -0.000 0.000 0.191 238 N C 1.838 177.312 175.510 -0.059 0.000 1.031 238 N CA 1.378 54.401 53.050 -0.046 0.000 0.852 238 N CB -0.351 38.147 38.487 0.018 0.000 1.018 238 N HN 0.258 nan 8.380 nan 0.000 0.423 239 K N 1.111 121.462 120.400 -0.082 0.000 2.026 239 K HA 0.047 4.367 4.320 -0.000 0.000 0.208 239 K C 1.822 178.329 176.600 -0.155 0.000 1.048 239 K CA 1.469 57.682 56.287 -0.122 0.000 0.929 239 K CB -0.730 31.676 32.500 -0.157 0.000 0.713 239 K HN 0.117 nan 8.250 nan 0.000 0.439 240 A N 0.537 123.218 122.820 -0.232 0.000 1.908 240 A HA -0.124 4.196 4.320 -0.000 0.000 0.218 240 A C 2.387 179.791 177.584 -0.299 0.000 1.181 240 A CA 2.308 54.129 52.037 -0.361 0.000 0.627 240 A CB -1.158 17.415 19.000 -0.713 0.000 0.818 240 A HN 0.463 nan 8.150 nan 0.000 0.445 241 A N -1.627 121.038 122.820 -0.258 0.000 1.898 241 A HA -0.092 4.228 4.320 -0.000 0.000 0.216 241 A C 2.150 179.592 177.584 -0.237 0.000 1.181 241 A CA 1.580 53.444 52.037 -0.290 0.000 0.620 241 A CB -0.823 17.890 19.000 -0.479 0.000 0.819 241 A HN 0.789 nan 8.150 nan 0.000 0.442 242 Y N 0.471 120.560 120.300 -0.351 0.000 2.181 242 Y HA -0.171 4.379 4.550 0.000 0.000 0.288 242 Y C 1.919 177.502 175.900 -0.528 0.000 1.146 242 Y CA 1.894 59.615 58.100 -0.633 0.000 1.164 242 Y CB -0.220 37.915 38.460 -0.542 0.000 0.982 242 Y HN 0.216 nan 8.280 nan 0.000 0.515 243 L N -0.220 120.748 121.223 -0.426 0.000 2.046 243 L HA -0.228 4.112 4.340 -0.000 0.000 0.208 243 L C 2.414 179.073 176.870 -0.352 0.000 1.077 243 L CA 1.448 56.047 54.840 -0.401 0.000 0.747 243 L CB -0.564 41.372 42.059 -0.205 0.000 0.896 243 L HN 0.291 nan 8.230 nan 0.000 0.432 244 I N -0.898 119.519 120.570 -0.255 0.000 2.163 244 I HA -0.353 3.817 4.170 -0.000 0.000 0.243 244 I C 2.843 178.843 176.117 -0.195 0.000 1.085 244 I CA 1.628 62.837 61.300 -0.152 0.000 1.347 244 I CB -0.332 37.652 38.000 -0.026 0.000 1.044 244 I HN 0.246 nan 8.210 nan 0.000 0.408 245 S N -0.047 115.483 115.700 -0.283 0.000 2.335 245 S HA -0.151 4.319 4.470 -0.000 0.000 0.217 245 S C 1.982 176.370 174.600 -0.353 0.000 1.032 245 S CA 1.122 59.169 58.200 -0.256 0.000 0.985 245 S CB 0.007 63.113 63.200 -0.157 0.000 0.896 245 S HN 0.362 nan 8.310 nan 0.000 0.445 246 Q N 0.318 119.733 119.800 -0.641 0.000 2.376 246 Q HA 0.319 4.659 4.340 -0.000 0.000 0.206 246 Q C 1.304 177.030 176.000 -0.457 0.000 0.921 246 Q CA 0.688 56.112 55.803 -0.631 0.000 0.911 246 Q CB -0.217 27.852 28.738 -1.115 0.000 1.032 246 Q HN 0.656 nan 8.270 nan 0.000 0.510 247 G N -0.179 108.362 108.800 -0.431 0.000 2.795 247 G HA2 0.197 4.157 3.960 -0.000 0.000 0.664 247 G HA3 0.197 4.157 3.960 -0.000 0.000 0.664 247 G C -0.006 174.760 174.900 -0.223 0.000 1.381 247 G CA -0.096 44.850 45.100 -0.256 0.000 0.853 247 G HN 0.754 nan 8.290 nan 0.000 0.545 248 G N -2.200 106.533 108.800 -0.112 0.000 2.351 248 G HA2 0.590 4.550 3.960 -0.000 0.000 0.353 248 G HA3 0.590 4.550 3.960 -0.000 0.000 0.353 248 G C -0.660 174.240 174.900 0.001 0.000 1.358 248 G CA 0.482 45.554 45.100 -0.047 0.000 0.995 248 G HN 1.748 nan 8.290 nan 0.000 0.611 249 T N 0.647 115.221 114.554 0.033 0.000 2.770 249 T HA 0.602 4.952 4.350 -0.000 0.000 0.283 249 T C -0.773 173.999 174.700 0.119 0.000 0.988 249 T CA -0.103 62.032 62.100 0.058 0.000 0.957 249 T CB 1.048 69.930 68.868 0.025 0.000 0.930 249 T HN 0.796 nan 8.240 nan 0.000 0.443 250 H N 1.944 121.032 119.070 0.030 0.000 2.744 250 H HA 0.342 4.898 4.556 -0.000 0.000 0.339 250 H C -0.742 174.678 175.328 0.154 0.000 1.004 250 H CA -0.985 55.088 56.048 0.042 0.000 1.257 250 H CB 0.241 30.060 29.762 0.095 0.000 1.552 250 H HN 0.706 nan 8.280 nan 0.000 0.522 251 Y N 3.185 123.309 120.300 -0.293 0.000 3.305 251 Y HA -0.270 4.280 4.550 -0.000 0.000 0.212 251 Y C 1.670 177.523 175.900 -0.078 0.000 1.248 251 Y CA 1.530 59.500 58.100 -0.217 0.000 1.359 251 Y CB -1.492 36.812 38.460 -0.260 0.000 1.407 251 Y HN 1.117 nan 8.280 nan 0.000 0.572 252 G N -2.171 106.651 108.800 0.037 0.000 2.205 252 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.261 252 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.261 252 G C -0.009 174.927 174.900 0.060 0.000 0.980 252 G CA 0.028 45.154 45.100 0.044 0.000 0.632 252 G HN 0.637 nan 8.290 nan 0.000 0.533 253 V N 1.797 121.767 119.914 0.094 0.000 2.407 253 V HA 0.599 4.719 4.120 -0.000 0.000 0.278 253 V C 0.567 176.707 176.094 0.078 0.000 1.037 253 V CA -0.119 62.234 62.300 0.090 0.000 0.900 253 V CB 1.646 33.540 31.823 0.118 0.000 0.983 253 V HN 0.312 nan 8.190 nan 0.000 0.459 254 S N 4.044 119.772 115.700 0.047 0.000 2.499 254 S HA 0.614 5.084 4.470 -0.000 0.000 0.279 254 S C -0.269 174.339 174.600 0.014 0.000 1.219 254 S CA -0.482 57.734 58.200 0.027 0.000 1.062 254 S CB 1.437 64.645 63.200 0.012 0.000 0.978 254 S HN 0.489 nan 8.310 nan 0.000 0.489 255 V N 3.773 123.683 119.914 -0.007 0.000 2.540 255 V HA 0.397 4.517 4.120 -0.000 0.000 0.302 255 V C -0.250 175.809 176.094 -0.057 0.000 1.035 255 V CA -0.843 61.439 62.300 -0.030 0.000 0.873 255 V CB 1.853 33.647 31.823 -0.048 0.000 0.992 255 V HN 0.641 nan 8.190 nan 0.000 0.428 256 V N 3.632 123.513 119.914 -0.055 0.000 2.461 256 V HA 0.519 4.639 4.120 -0.000 0.000 0.275 256 V C 1.078 177.114 176.094 -0.097 0.000 1.047 256 V CA -0.108 62.150 62.300 -0.069 0.000 0.955 256 V CB 1.351 33.143 31.823 -0.053 0.000 0.988 256 V HN 1.013 nan 8.190 nan 0.000 0.471 257 G N 3.819 112.543 108.800 -0.126 0.000 2.442 257 G HA2 0.412 4.372 3.960 -0.000 0.000 0.249 257 G HA3 0.412 4.372 3.960 -0.000 0.000 0.249 257 G C 0.584 175.408 174.900 -0.126 0.000 1.263 257 G CA -0.304 44.701 45.100 -0.159 0.000 0.846 257 G HN 0.993 nan 8.290 nan 0.000 0.555 258 I N -0.335 120.161 120.570 -0.124 0.000 4.082 258 I HA 0.544 4.714 4.170 -0.000 0.000 0.337 258 I C 0.801 176.857 176.117 -0.102 0.000 1.352 258 I CA 0.073 61.302 61.300 -0.118 0.000 1.097 258 I CB -0.110 37.807 38.000 -0.138 0.000 1.048 258 I HN 0.927 nan 8.210 nan 0.000 0.393 259 G N 2.998 111.739 108.800 -0.099 0.000 2.699 259 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.686 259 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.686 259 G C 0.513 175.391 174.900 -0.035 0.000 1.301 259 G CA -0.121 44.936 45.100 -0.073 0.000 0.816 259 G HN 0.608 nan 8.290 nan 0.000 0.595 260 R N 0.147 120.627 120.500 -0.034 0.000 2.092 260 R HA -0.031 4.309 4.340 -0.000 0.000 0.231 260 R C 1.593 177.913 176.300 0.033 0.000 1.119 260 R CA 2.000 58.092 56.100 -0.013 0.000 0.970 260 R CB -0.390 29.845 30.300 -0.110 0.000 0.864 260 R HN 0.456 nan 8.270 nan 0.000 0.440 261 D N 1.097 121.517 120.400 0.034 0.000 2.092 261 D HA -0.108 4.532 4.640 -0.000 0.000 0.193 261 D C 1.764 178.144 176.300 0.133 0.000 0.994 261 D CA 1.695 55.743 54.000 0.079 0.000 0.828 261 D CB 0.024 40.856 40.800 0.053 0.000 0.963 261 D HN 0.312 nan 8.370 nan 0.000 0.450 262 K N -0.219 120.245 120.400 0.106 0.000 2.097 262 K HA -0.095 4.225 4.320 -0.000 0.000 0.205 262 K C 1.988 178.724 176.600 0.226 0.000 1.050 262 K CA 0.413 56.799 56.287 0.164 0.000 0.938 262 K CB -0.168 32.325 32.500 -0.012 0.000 0.718 262 K HN 0.075 nan 8.250 nan 0.000 0.442 263 L N 1.154 122.475 121.223 0.163 0.000 1.989 263 L HA -0.113 4.227 4.340 -0.000 0.000 0.211 263 L C 2.157 179.201 176.870 0.290 0.000 1.071 263 L CA 2.264 57.227 54.840 0.205 0.000 0.749 263 L CB -1.150 40.951 42.059 0.071 0.000 0.890 263 L HN 0.195 nan 8.230 nan 0.000 0.431 264 G N -0.891 108.053 108.800 0.240 0.000 2.476 264 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.218 264 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.218 264 G C 1.736 177.004 174.900 0.613 0.000 1.164 264 G CA 1.099 46.443 45.100 0.405 0.000 0.768 264 G HN 0.404 nan 8.290 nan 0.000 0.560 265 K N -0.169 120.520 120.400 0.481 0.000 2.026 265 K HA 0.073 4.393 4.320 -0.000 0.000 0.208 265 K C 2.466 179.319 176.600 0.421 0.000 1.048 265 K CA 0.971 57.526 56.287 0.446 0.000 0.929 265 K CB -0.254 32.450 32.500 0.340 0.000 0.713 265 K HN 0.374 nan 8.250 nan 0.000 0.439 266 I N -0.478 120.336 120.570 0.406 0.000 2.252 266 I HA -0.230 3.940 4.170 -0.000 0.000 0.245 266 I C 1.692 177.973 176.117 0.273 0.000 1.102 266 I CA 1.085 62.577 61.300 0.319 0.000 1.385 266 I CB -0.146 38.042 38.000 0.314 0.000 1.064 266 I HN 0.097 nan 8.210 nan 0.000 0.414 267 F N -0.269 119.846 119.950 0.275 0.000 2.134 267 F HA -0.284 4.243 4.527 -0.000 0.000 0.299 267 F C 2.511 178.527 175.800 0.359 0.000 1.097 267 F CA 1.734 59.905 58.000 0.285 0.000 1.264 267 F CB -0.590 38.510 39.000 0.165 0.000 1.001 267 F HN 0.007 nan 8.300 nan 0.000 0.479 268 Y N 0.874 121.462 120.300 0.480 0.000 2.145 268 Y HA -0.276 4.274 4.550 -0.000 0.000 0.286 268 Y C 2.732 178.680 175.900 0.080 0.000 1.145 268 Y CA 1.941 60.141 58.100 0.167 0.000 1.148 268 Y CB -0.354 38.029 38.460 -0.128 0.000 0.981 268 Y HN -0.093 nan 8.280 nan 0.000 0.507 269 R N 0.211 120.825 120.500 0.189 0.000 2.075 269 R HA -0.135 4.205 4.340 -0.000 0.000 0.232 269 R C 2.331 178.626 176.300 -0.008 0.000 1.126 269 R CA 1.237 57.372 56.100 0.059 0.000 0.963 269 R CB -0.552 29.840 30.300 0.153 0.000 0.858 269 R HN 0.409 nan 8.270 nan 0.000 0.435 270 A N 1.370 124.232 122.820 0.069 0.000 1.883 270 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 270 A C 2.056 179.642 177.584 0.003 0.000 1.186 270 A CA 1.446 53.535 52.037 0.088 0.000 0.624 270 A CB -0.729 18.227 19.000 -0.073 0.000 0.822 270 A HN 0.406 nan 8.150 nan 0.000 0.444 271 L N 0.406 121.602 121.223 -0.045 0.000 1.989 271 L HA -0.162 4.178 4.340 -0.000 0.000 0.211 271 L C 2.677 179.423 176.870 -0.206 0.000 1.071 271 L CA 3.154 57.936 54.840 -0.097 0.000 0.749 271 L CB -0.887 41.112 42.059 -0.100 0.000 0.890 271 L HN 0.564 nan 8.230 nan 0.000 0.431 272 T N -4.638 109.700 114.554 -0.360 0.000 3.067 272 T HA 0.006 4.356 4.350 -0.000 0.000 0.257 272 T C 1.579 176.108 174.700 -0.284 0.000 1.105 272 T CA 0.591 62.475 62.100 -0.361 0.000 1.104 272 T CB 0.020 68.566 68.868 -0.537 0.000 0.925 272 T HN 0.428 nan 8.240 nan 0.000 0.498 273 Q N -0.871 118.724 119.800 -0.341 0.000 2.422 273 Q HA 0.239 4.579 4.340 -0.000 0.000 0.255 273 Q C 0.962 176.617 176.000 -0.575 0.000 0.864 273 Q CA 0.563 56.051 55.803 -0.524 0.000 0.968 273 Q CB 0.364 28.550 28.738 -0.920 0.000 1.130 273 Q HN 0.640 nan 8.270 nan 0.000 0.556 274 Y N 0.091 120.348 120.300 -0.072 0.000 2.535 274 Y HA 0.282 4.832 4.550 -0.000 0.000 0.264 274 Y C 1.031 176.899 175.900 -0.054 0.000 1.087 274 Y CA -0.321 57.742 58.100 -0.062 0.000 1.285 274 Y CB 0.589 39.005 38.460 -0.072 0.000 1.200 274 Y HN -0.121 nan 8.280 nan 0.000 0.514 275 L N 1.450 122.721 121.223 0.080 0.000 2.439 275 L HA 0.277 4.617 4.340 -0.000 0.000 0.269 275 L C 0.716 177.601 176.870 0.026 0.000 1.179 275 L CA -0.045 54.824 54.840 0.047 0.000 0.828 275 L CB 0.750 42.833 42.059 0.040 0.000 1.106 275 L HN 0.180 nan 8.230 nan 0.000 0.467 276 T N -1.517 113.056 114.554 0.033 0.000 2.858 276 T HA 0.435 4.785 4.350 -0.000 0.000 0.285 276 T C -2.231 172.489 174.700 0.034 0.000 1.052 276 T CA -1.849 60.265 62.100 0.024 0.000 1.009 276 T CB 1.861 70.743 68.868 0.023 0.000 1.241 276 T HN 0.220 nan 8.240 nan 0.000 0.542 277 P HA 0.032 nan 4.420 nan 0.000 0.218 277 P C 1.068 178.399 177.300 0.052 0.000 1.148 277 P CA 1.092 64.216 63.100 0.039 0.000 0.822 277 P CB 0.005 31.722 31.700 0.028 0.000 0.784 278 T N -1.399 113.181 114.554 0.044 0.000 3.134 278 T HA 0.170 4.520 4.350 -0.000 0.000 0.260 278 T C 0.527 175.257 174.700 0.050 0.000 1.027 278 T CA -0.057 62.070 62.100 0.044 0.000 0.913 278 T CB -0.386 68.500 68.868 0.030 0.000 1.046 278 T HN -0.025 nan 8.240 nan 0.000 0.553 279 S N 3.552 119.287 115.700 0.060 0.000 2.558 279 S HA 0.082 4.552 4.470 -0.000 0.000 0.291 279 S C 0.649 175.309 174.600 0.100 0.000 1.306 279 S CA -0.192 58.048 58.200 0.067 0.000 1.056 279 S CB 0.158 63.402 63.200 0.074 0.000 0.836 279 S HN 0.726 nan 8.310 nan 0.000 0.504 280 N N 1.010 119.769 118.700 0.097 0.000 2.671 280 N HA 0.334 5.074 4.740 -0.000 0.000 0.303 280 N C 0.083 175.755 175.510 0.270 0.000 1.277 280 N CA -0.853 52.281 53.050 0.140 0.000 0.933 280 N CB 0.175 38.692 38.487 0.049 0.000 1.190 280 N HN 0.285 nan 8.380 nan 0.000 0.600 281 F N 0.441 120.414 119.950 0.038 0.000 2.126 281 F HA -0.145 4.382 4.527 -0.000 0.000 0.299 281 F C 3.013 178.759 175.800 -0.089 0.000 1.096 281 F CA 0.913 58.925 58.000 0.020 0.000 1.255 281 F CB -1.319 37.697 39.000 0.028 0.000 0.997 281 F HN 0.604 nan 8.300 nan 0.000 0.479 282 S N -0.453 115.286 115.700 0.064 0.000 2.383 282 S HA -0.203 4.267 4.470 -0.000 0.000 0.227 282 S C 1.894 176.431 174.600 -0.105 0.000 1.026 282 S CA 1.260 59.417 58.200 -0.072 0.000 0.981 282 S CB -0.231 62.925 63.200 -0.074 0.000 0.818 282 S HN 0.506 nan 8.310 nan 0.000 0.472 283 Q N -0.001 119.773 119.800 -0.043 0.000 2.172 283 Q HA 0.025 4.365 4.340 -0.000 0.000 0.200 283 Q C 2.145 178.082 176.000 -0.105 0.000 0.964 283 Q CA 1.274 57.038 55.803 -0.064 0.000 0.855 283 Q CB -0.279 28.449 28.738 -0.016 0.000 0.918 283 Q HN 0.534 nan 8.270 nan 0.000 0.444 284 L N 0.920 122.096 121.223 -0.078 0.000 2.093 284 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 284 L C 2.306 178.942 176.870 -0.391 0.000 1.085 284 L CA 1.730 56.492 54.840 -0.129 0.000 0.755 284 L CB -0.379 41.681 42.059 0.002 0.000 0.904 284 L HN 0.049 nan 8.230 nan 0.000 0.435 285 R N -0.251 119.880 120.500 -0.616 0.000 2.083 285 R HA -0.190 4.150 4.340 -0.000 0.000 0.237 285 R C 2.159 178.100 176.300 -0.599 0.000 1.137 285 R CA 1.636 57.086 56.100 -1.083 0.000 0.951 285 R CB -0.528 29.213 30.300 -0.931 0.000 0.851 285 R HN 0.502 nan 8.270 nan 0.000 0.434 286 A N 0.748 123.342 122.820 -0.377 0.000 1.908 286 A HA -0.133 4.187 4.320 -0.000 0.000 0.218 286 A C 2.387 179.783 177.584 -0.313 0.000 1.181 286 A CA 1.827 53.692 52.037 -0.286 0.000 0.627 286 A CB -0.807 18.066 19.000 -0.212 0.000 0.818 286 A HN 0.593 nan 8.150 nan 0.000 0.445 287 A N -0.198 122.448 122.820 -0.291 0.000 1.877 287 A HA 0.165 4.485 4.320 -0.000 0.000 0.216 287 A C 2.528 179.954 177.584 -0.264 0.000 1.186 287 A CA 2.153 54.029 52.037 -0.269 0.000 0.620 287 A CB -1.068 17.872 19.000 -0.101 0.000 0.822 287 A HN 1.085 nan 8.150 nan 0.000 0.443 288 A N -0.665 121.977 122.820 -0.297 0.000 1.933 288 A HA 0.027 4.346 4.320 -0.000 0.000 0.218 288 A C 2.237 179.733 177.584 -0.146 0.000 1.175 288 A CA 1.747 53.628 52.037 -0.260 0.000 0.628 288 A CB -0.885 17.937 19.000 -0.296 0.000 0.814 288 A HN 0.369 nan 8.150 nan 0.000 0.444 289 V N -0.199 119.602 119.914 -0.187 0.000 2.295 289 V HA -0.283 3.837 4.120 -0.000 0.000 0.246 289 V C 2.756 178.774 176.094 -0.128 0.000 1.049 289 V CA 2.389 64.614 62.300 -0.125 0.000 1.024 289 V CB -0.737 30.999 31.823 -0.145 0.000 0.648 289 V HN 0.716 nan 8.190 nan 0.000 0.447 290 Q N 0.348 120.005 119.800 -0.238 0.000 2.124 290 Q HA -0.160 4.180 4.340 -0.000 0.000 0.202 290 Q C 2.297 178.189 176.000 -0.181 0.000 0.977 290 Q CA 2.302 57.921 55.803 -0.307 0.000 0.850 290 Q CB -0.413 27.953 28.738 -0.620 0.000 0.901 290 Q HN 0.623 nan 8.270 nan 0.000 0.429 291 S N 0.074 115.720 115.700 -0.091 0.000 2.356 291 S HA -0.133 4.337 4.470 -0.000 0.000 0.223 291 S C 1.950 176.596 174.600 0.076 0.000 1.032 291 S CA 1.048 59.311 58.200 0.105 0.000 1.005 291 S CB -0.665 62.616 63.200 0.136 0.000 0.867 291 S HN 0.610 nan 8.310 nan 0.000 0.449 292 A N 1.201 124.076 122.820 0.092 0.000 1.933 292 A HA -0.104 4.216 4.320 -0.000 0.000 0.218 292 A C 2.317 179.994 177.584 0.154 0.000 1.175 292 A CA 1.994 54.159 52.037 0.214 0.000 0.628 292 A CB -1.275 17.846 19.000 0.202 0.000 0.814 292 A HN 0.467 nan 8.150 nan 0.000 0.444 293 T N 0.247 114.835 114.554 0.057 0.000 2.708 293 T HA -0.122 4.228 4.350 -0.000 0.000 0.266 293 T C 1.517 176.219 174.700 0.004 0.000 1.037 293 T CA 1.566 63.684 62.100 0.029 0.000 1.146 293 T CB -0.415 68.443 68.868 -0.016 0.000 0.865 293 T HN 0.474 nan 8.240 nan 0.000 0.435 294 D N 1.034 121.430 120.400 -0.006 0.000 2.117 294 D HA -0.020 4.620 4.640 -0.000 0.000 0.197 294 D C 2.075 178.317 176.300 -0.096 0.000 0.987 294 D CA 0.885 54.876 54.000 -0.014 0.000 0.829 294 D CB -0.284 40.545 40.800 0.049 0.000 0.961 294 D HN 0.334 nan 8.370 nan 0.000 0.460 295 L N -1.329 119.767 121.223 -0.212 0.000 2.127 295 L HA -0.056 4.284 4.340 -0.000 0.000 0.203 295 L C 1.583 178.002 176.870 -0.752 0.000 1.080 295 L CA 0.837 55.337 54.840 -0.566 0.000 0.768 295 L CB -0.131 41.346 42.059 -0.969 0.000 0.924 295 L HN 0.064 nan 8.230 nan 0.000 0.444 296 Y N -0.791 119.530 120.300 0.036 0.000 2.453 296 Y HA 0.481 5.031 4.550 -0.000 0.000 0.247 296 Y C 1.029 176.940 175.900 0.018 0.000 1.124 296 Y CA -0.068 58.048 58.100 0.027 0.000 1.243 296 Y CB 0.812 39.289 38.460 0.029 0.000 1.213 296 Y HN 0.082 nan 8.280 nan 0.000 0.523 297 G N 0.762 109.623 108.800 0.102 0.000 2.785 297 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.686 297 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.686 297 G C 0.620 175.561 174.900 0.068 0.000 1.155 297 G CA -0.164 44.977 45.100 0.068 0.000 0.760 297 G HN 0.379 nan 8.290 nan 0.000 0.624 298 S N -0.451 115.272 115.700 0.037 0.000 2.419 298 S HA -0.137 4.333 4.470 -0.000 0.000 0.235 298 S C 2.062 176.678 174.600 0.027 0.000 1.019 298 S CA 2.495 60.711 58.200 0.025 0.000 0.982 298 S CB -0.316 62.888 63.200 0.007 0.000 0.789 298 S HN 2.303 nan 8.310 nan 0.000 0.490 299 T N 0.126 114.699 114.554 0.030 0.000 3.186 299 T HA 0.372 4.722 4.350 -0.000 0.000 0.257 299 T C 0.552 175.270 174.700 0.031 0.000 1.029 299 T CA -0.071 62.044 62.100 0.025 0.000 0.916 299 T CB -0.354 68.525 68.868 0.018 0.000 1.041 299 T HN 0.499 nan 8.240 nan 0.000 0.562 300 S N 0.591 116.320 115.700 0.049 0.000 2.645 300 S HA 0.291 4.761 4.470 -0.000 0.000 0.266 300 S C 1.219 175.829 174.600 0.017 0.000 1.258 300 S CA -0.665 57.562 58.200 0.045 0.000 0.990 300 S CB 1.448 64.706 63.200 0.096 0.000 0.967 300 S HN 0.204 nan 8.310 nan 0.000 0.556 301 Q N 0.505 120.298 119.800 -0.011 0.000 2.167 301 Q HA -0.105 4.235 4.340 -0.000 0.000 0.202 301 Q C 1.586 177.558 176.000 -0.047 0.000 0.970 301 Q CA 1.891 57.675 55.803 -0.031 0.000 0.855 301 Q CB -0.537 28.170 28.738 -0.051 0.000 0.911 301 Q HN 0.839 nan 8.270 nan 0.000 0.438 302 E N -0.885 119.266 120.200 -0.082 0.000 2.051 302 E HA -0.129 4.221 4.350 -0.000 0.000 0.192 302 E C 1.962 178.571 176.600 0.014 0.000 0.991 302 E CA 1.525 57.862 56.400 -0.105 0.000 0.799 302 E CB -0.300 29.209 29.700 -0.319 0.000 0.748 302 E HN 0.182 nan 8.360 nan 0.000 0.449 303 V N 0.925 120.872 119.914 0.055 0.000 2.343 303 V HA -0.279 3.841 4.120 -0.000 0.000 0.247 303 V C 2.183 178.301 176.094 0.040 0.000 1.051 303 V CA 1.790 64.127 62.300 0.061 0.000 1.036 303 V CB -0.824 31.033 31.823 0.057 0.000 0.654 303 V HN 0.363 nan 8.190 nan 0.000 0.451 304 A N -0.458 122.377 122.820 0.024 0.000 1.877 304 A HA -0.225 4.095 4.320 -0.000 0.000 0.216 304 A C 2.495 180.094 177.584 0.025 0.000 1.186 304 A CA 2.313 54.362 52.037 0.020 0.000 0.620 304 A CB -0.791 18.215 19.000 0.009 0.000 0.822 304 A HN 0.500 nan 8.150 nan 0.000 0.443 305 S N -0.476 115.231 115.700 0.012 0.000 2.383 305 S HA -0.141 4.329 4.470 -0.000 0.000 0.229 305 S C 1.887 176.515 174.600 0.047 0.000 1.030 305 S CA 1.432 59.637 58.200 0.008 0.000 1.002 305 S CB -0.482 62.702 63.200 -0.026 0.000 0.829 305 S HN 0.358 nan 8.310 nan 0.000 0.467 306 V N 1.708 121.676 119.914 0.091 0.000 2.295 306 V HA -0.212 3.908 4.120 -0.000 0.000 0.246 306 V C 2.274 178.520 176.094 0.253 0.000 1.049 306 V CA 1.707 64.121 62.300 0.191 0.000 1.024 306 V CB -0.539 31.394 31.823 0.183 0.000 0.648 306 V HN 0.418 nan 8.190 nan 0.000 0.447 307 K N -0.425 120.062 120.400 0.145 0.000 2.026 307 K HA -0.234 4.086 4.320 -0.000 0.000 0.208 307 K C 2.335 179.017 176.600 0.136 0.000 1.048 307 K CA 1.711 58.075 56.287 0.129 0.000 0.929 307 K CB -0.233 32.303 32.500 0.060 0.000 0.713 307 K HN 0.484 nan 8.250 nan 0.000 0.439 308 Q N 0.165 120.020 119.800 0.091 0.000 2.030 308 Q HA -0.177 4.163 4.340 -0.000 0.000 0.204 308 Q C 2.169 178.211 176.000 0.070 0.000 0.986 308 Q CA 1.863 57.707 55.803 0.069 0.000 0.843 308 Q CB -0.260 28.500 28.738 0.037 0.000 0.904 308 Q HN 0.373 nan 8.270 nan 0.000 0.420 309 A N 0.301 123.144 122.820 0.037 0.000 1.873 309 A HA -0.231 4.089 4.320 -0.000 0.000 0.218 309 A C 1.869 179.395 177.584 -0.096 0.000 1.193 309 A CA 1.726 53.726 52.037 -0.061 0.000 0.629 309 A CB -1.047 17.869 19.000 -0.139 0.000 0.826 309 A HN 0.377 nan 8.150 nan 0.000 0.447 310 F N 0.353 120.312 119.950 0.016 0.000 2.134 310 F HA -0.155 4.372 4.527 -0.000 0.000 0.299 310 F C 2.210 178.007 175.800 -0.006 0.000 1.097 310 F CA 1.755 59.751 58.000 -0.007 0.000 1.264 310 F CB -0.365 38.618 39.000 -0.027 0.000 1.001 310 F HN 0.203 nan 8.300 nan 0.000 0.479 311 D N 0.052 120.556 120.400 0.173 0.000 2.144 311 D HA -0.152 4.488 4.640 -0.000 0.000 0.199 311 D C 2.344 178.716 176.300 0.120 0.000 0.984 311 D CA 1.353 55.423 54.000 0.117 0.000 0.834 311 D CB -0.593 40.266 40.800 0.098 0.000 0.955 311 D HN 0.233 nan 8.370 nan 0.000 0.465 312 A N 0.622 123.521 122.820 0.131 0.000 1.940 312 A HA -0.152 4.168 4.320 -0.000 0.000 0.219 312 A C 2.224 179.977 177.584 0.282 0.000 1.176 312 A CA 1.857 54.025 52.037 0.218 0.000 0.631 312 A CB -0.535 18.610 19.000 0.240 0.000 0.814 312 A HN 0.257 nan 8.150 nan 0.000 0.446 313 V N -3.825 116.151 119.914 0.103 0.000 3.633 313 V HA 0.528 4.648 4.120 -0.000 0.000 0.283 313 V C 1.277 177.082 176.094 -0.482 0.000 1.305 313 V CA 0.519 62.783 62.300 -0.060 0.000 1.153 313 V CB -0.946 30.861 31.823 -0.026 0.000 0.950 313 V HN 1.499 nan 8.190 nan 0.000 0.432 314 G N 0.289 108.910 108.800 -0.298 0.000 2.147 314 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.244 314 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.244 314 G C 0.024 174.854 174.900 -0.116 0.000 1.005 314 G CA 0.110 45.068 45.100 -0.237 0.000 0.713 314 G HN 0.887 nan 8.290 nan 0.000 0.515 315 V N 0.880 120.759 119.914 -0.058 0.000 2.304 315 V HA 0.577 4.697 4.120 -0.000 0.000 0.262 315 V C 0.742 176.817 176.094 -0.031 0.000 1.061 315 V CA 0.579 62.832 62.300 -0.078 0.000 0.872 315 V CB 0.250 32.157 31.823 0.140 0.000 1.077 315 V HN 0.744 nan 8.190 nan 0.000 0.480 316 K N 0.000 120.335 120.400 -0.109 0.000 2.780 316 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 316 K CA 0.000 56.248 56.287 -0.064 0.000 0.838 316 K CB 0.000 32.453 32.500 -0.079 0.000 1.064 316 K HN 0.000 nan 8.250 nan 0.000 0.543