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 2z5y_1_A DATA FIRST_RESID 12 DATA SEQUENCE HMFDVVVIGG GISGLSAAKL LTEYGVSVLV LEARDRVGGR TYTIRNEHVD DATA SEQUENCE YVDVGGAYVG PTQNRILRLS KELGIETYKV NVSERLVQYV KGKTYPFRAA DATA SEQUENCE FPPVWNPIAY LDYNNLWRTI DNMGKEIPTD APWEAQHADK WDKMTMKELI DATA SEQUENCE DKICWTKTAR RFAYLFVNIN VTSEPHEVSA LWFLWYVKQC GGTTRIFSVT DATA SEQUENCE NGGQERKFVG GSGQVSERIM DLLGDQVKLN HPVTHVDQSS DNIIIETLNH DATA SEQUENCE EHYECKYVIN AIPPTLTAKI HFRPELPAER NQLIQRLPMG AVIKCMMYYK DATA SEQUENCE EAFWKKKDYC GCMIIEDEDA PISITLDDTK PDGSLPAIMG FILARKADRL DATA SEQUENCE AKLHKEIRKK KICELYAKVL GSQEALHPVH YEEKNWCEEQ YSGGCYTAYF DATA SEQUENCE PPGIMTQYGR VIRQPVGRIF FAGTETATKW SGYMEGAVEA GERAAREVLN DATA SEQUENCE GLGKVTEKDI WVQEPESKDV PAVEITHTFW ERNLPSVSGL LKIIGFSTSV DATA SEQUENCE TALGFVLYKY KLL 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 12 H HA 0.000 nan 4.556 nan 0.000 0.296 12 H C 0.000 175.429 175.328 0.169 0.000 0.993 12 H CA 0.000 56.182 56.048 0.223 0.000 1.023 12 H CB 0.000 29.859 29.762 0.161 0.000 1.292 13 M N 1.377 120.896 119.600 -0.134 0.000 2.268 13 M HA 0.439 4.919 4.480 0.000 0.000 0.344 13 M C -1.394 174.589 176.300 -0.530 0.000 1.106 13 M CA -0.175 55.044 55.300 -0.135 0.000 1.010 13 M CB 0.398 32.941 32.600 -0.095 0.000 1.649 13 M HN 0.084 nan 8.290 nan 0.000 0.443 14 F N 1.059 121.066 119.950 0.095 0.000 2.626 14 F HA 0.324 4.851 4.527 0.000 0.000 0.311 14 F C 1.092 176.939 175.800 0.078 0.000 1.088 14 F CA -0.833 57.210 58.000 0.073 0.000 0.949 14 F CB 1.041 40.073 39.000 0.052 0.000 1.322 14 F HN 0.468 nan 8.300 nan 0.000 0.461 15 D N 0.386 120.950 120.400 0.272 0.000 2.078 15 D HA -0.006 4.634 4.640 0.000 0.000 0.193 15 D C 0.201 176.655 176.300 0.257 0.000 0.990 15 D CA 1.768 55.904 54.000 0.227 0.000 0.827 15 D CB 0.159 41.062 40.800 0.172 0.000 0.975 15 D HN 0.046 nan 8.370 nan 0.000 0.451 16 V N 0.859 120.899 119.914 0.210 0.000 2.604 16 V HA 0.389 4.509 4.120 0.000 0.000 0.305 16 V C -0.048 176.075 176.094 0.048 0.000 1.043 16 V CA -0.879 61.506 62.300 0.143 0.000 0.888 16 V CB 2.696 34.553 31.823 0.058 0.000 0.995 16 V HN -0.243 nan 8.190 nan 0.000 0.429 17 V N 4.542 124.467 119.914 0.019 0.000 2.417 17 V HA 0.449 4.569 4.120 0.000 0.000 0.291 17 V C -0.213 175.834 176.094 -0.078 0.000 1.024 17 V CA -0.536 61.701 62.300 -0.105 0.000 0.861 17 V CB 2.002 33.771 31.823 -0.091 0.000 0.985 17 V HN 0.656 nan 8.190 nan 0.000 0.436 18 V N 6.528 126.364 119.914 -0.129 0.000 2.370 18 V HA 0.430 4.550 4.120 0.000 0.000 0.279 18 V C 0.110 176.138 176.094 -0.110 0.000 1.029 18 V CA -0.426 61.818 62.300 -0.095 0.000 0.870 18 V CB 1.498 33.267 31.823 -0.091 0.000 0.984 18 V HN 0.649 nan 8.190 nan 0.000 0.451 19 I N 5.010 125.538 120.570 -0.069 0.000 2.322 19 I HA 0.594 4.764 4.170 0.000 0.000 0.292 19 I C 0.894 176.986 176.117 -0.042 0.000 1.060 19 I CA 0.251 61.516 61.300 -0.059 0.000 1.309 19 I CB 0.512 38.497 38.000 -0.024 0.000 1.415 19 I HN 0.898 nan 8.210 nan 0.000 0.492 20 G N 3.897 112.658 108.800 -0.065 0.000 3.209 20 G HA2 -0.027 3.933 3.960 0.000 0.000 0.686 20 G HA3 -0.027 3.933 3.960 0.000 0.000 0.686 20 G C -0.003 174.865 174.900 -0.054 0.000 1.065 20 G CA -0.494 44.576 45.100 -0.049 0.000 0.812 20 G HN 1.005 nan 8.290 nan 0.000 0.573 21 G N 0.985 109.747 108.800 -0.064 0.000 4.294 21 G HA2 0.695 4.655 3.960 0.000 0.000 0.301 21 G HA3 0.695 4.655 3.960 0.000 0.000 0.301 21 G C 0.880 175.761 174.900 -0.031 0.000 1.321 21 G CA 0.919 45.984 45.100 -0.059 0.000 1.190 21 G HN 1.323 nan 8.290 nan 0.000 0.600 22 G N -0.106 108.691 108.800 -0.006 0.000 2.588 22 G HA2 0.329 4.289 3.960 0.000 0.000 0.278 22 G HA3 0.329 4.289 3.960 0.000 0.000 0.278 22 G C 1.234 176.141 174.900 0.012 0.000 1.307 22 G CA -0.765 44.345 45.100 0.016 0.000 1.016 22 G HN 0.173 nan 8.290 nan 0.000 0.503 23 I N -0.506 120.078 120.570 0.024 0.000 2.248 23 I HA -0.231 3.939 4.170 0.000 0.000 0.248 23 I C 3.008 179.140 176.117 0.026 0.000 1.107 23 I CA 1.656 62.968 61.300 0.020 0.000 1.373 23 I CB -0.125 37.895 38.000 0.033 0.000 1.055 23 I HN 0.473 nan 8.210 nan 0.000 0.418 24 S N 0.521 116.247 115.700 0.044 0.000 2.356 24 S HA -0.123 4.347 4.470 0.000 0.000 0.223 24 S C 2.089 176.702 174.600 0.021 0.000 1.032 24 S CA 1.605 59.834 58.200 0.049 0.000 1.005 24 S CB -0.555 62.692 63.200 0.078 0.000 0.867 24 S HN 0.578 nan 8.310 nan 0.000 0.449 25 G N 1.311 110.117 108.800 0.010 0.000 2.402 25 G HA2 -0.083 3.878 3.960 0.000 0.000 0.216 25 G HA3 -0.083 3.878 3.960 0.000 0.000 0.216 25 G C 1.405 176.286 174.900 -0.031 0.000 1.162 25 G CA 0.775 45.866 45.100 -0.014 0.000 0.777 25 G HN 0.500 nan 8.290 nan 0.000 0.539 26 L N 0.886 122.092 121.223 -0.028 0.000 2.056 26 L HA -0.063 4.277 4.340 0.000 0.000 0.207 26 L C 3.223 180.075 176.870 -0.030 0.000 1.078 26 L CA 1.159 55.977 54.840 -0.037 0.000 0.749 26 L CB -0.500 41.536 42.059 -0.037 0.000 0.901 26 L HN 0.169 nan 8.230 nan 0.000 0.433 27 S N 0.493 116.182 115.700 -0.018 0.000 2.380 27 S HA -0.276 4.194 4.470 0.000 0.000 0.229 27 S C 2.203 176.789 174.600 -0.023 0.000 1.043 27 S CA 1.449 59.640 58.200 -0.015 0.000 1.038 27 S CB -0.486 62.713 63.200 -0.001 0.000 0.872 27 S HN 0.521 nan 8.310 nan 0.000 0.456 28 A N 1.610 124.412 122.820 -0.031 0.000 1.873 28 A HA 0.183 4.503 4.320 0.000 0.000 0.215 28 A C 2.410 179.963 177.584 -0.052 0.000 1.186 28 A CA 1.663 53.669 52.037 -0.051 0.000 0.616 28 A CB -1.154 17.815 19.000 -0.052 0.000 0.823 28 A HN 0.545 nan 8.150 nan 0.000 0.442 29 A N -0.207 122.584 122.820 -0.048 0.000 1.930 29 A HA -0.143 4.177 4.320 0.000 0.000 0.217 29 A C 2.135 179.702 177.584 -0.028 0.000 1.175 29 A CA 1.966 53.974 52.037 -0.048 0.000 0.627 29 A CB -0.438 18.523 19.000 -0.065 0.000 0.815 29 A HN 0.573 nan 8.150 nan 0.000 0.443 30 K N -0.672 119.714 120.400 -0.024 0.000 2.026 30 K HA -0.146 4.174 4.320 0.000 0.000 0.208 30 K C 1.935 178.542 176.600 0.011 0.000 1.048 30 K CA 1.615 57.896 56.287 -0.011 0.000 0.929 30 K CB -0.325 32.165 32.500 -0.017 0.000 0.713 30 K HN 0.311 nan 8.250 nan 0.000 0.439 31 L N 1.702 122.933 121.223 0.014 0.000 2.046 31 L HA -0.131 4.209 4.340 0.000 0.000 0.208 31 L C 2.020 178.952 176.870 0.103 0.000 1.077 31 L CA 1.521 56.396 54.840 0.059 0.000 0.747 31 L CB -0.429 41.645 42.059 0.026 0.000 0.896 31 L HN 0.250 nan 8.230 nan 0.000 0.432 32 L N -1.251 119.984 121.223 0.020 0.000 2.046 32 L HA -0.221 4.119 4.340 0.000 0.000 0.208 32 L C 2.356 179.277 176.870 0.085 0.000 1.077 32 L CA 1.766 56.614 54.840 0.015 0.000 0.747 32 L CB -1.008 41.023 42.059 -0.046 0.000 0.896 32 L HN 0.254 nan 8.230 nan 0.000 0.432 33 T N -0.801 113.785 114.554 0.054 0.000 2.759 33 T HA -0.213 4.137 4.350 0.000 0.000 0.269 33 T C 1.687 176.420 174.700 0.055 0.000 1.042 33 T CA 1.300 63.429 62.100 0.047 0.000 1.140 33 T CB -0.184 68.696 68.868 0.020 0.000 0.864 33 T HN 0.388 nan 8.240 nan 0.000 0.455 34 E N -0.391 119.849 120.200 0.068 0.000 2.265 34 E HA -0.096 4.254 4.350 0.000 0.000 0.196 34 E C 0.948 177.514 176.600 -0.057 0.000 0.996 34 E CA 0.824 57.229 56.400 0.007 0.000 0.832 34 E CB -0.057 29.641 29.700 -0.004 0.000 0.756 34 E HN 0.621 nan 8.360 nan 0.000 0.491 35 Y N -0.661 119.621 120.300 -0.030 0.000 2.485 35 Y HA 0.194 4.744 4.550 0.000 0.000 0.260 35 Y C 1.316 177.204 175.900 -0.021 0.000 1.173 35 Y CA 0.279 58.361 58.100 -0.031 0.000 1.252 35 Y CB 1.296 39.728 38.460 -0.047 0.000 1.123 35 Y HN 0.058 nan 8.280 nan 0.000 0.524 36 G N 0.555 109.412 108.800 0.095 0.000 2.160 36 G HA2 -0.244 3.716 3.960 0.000 0.000 0.244 36 G HA3 -0.244 3.716 3.960 0.000 0.000 0.244 36 G C -0.397 174.547 174.900 0.075 0.000 1.022 36 G CA 0.206 45.345 45.100 0.065 0.000 0.741 36 G HN 0.109 nan 8.290 nan 0.000 0.508 37 V N 1.432 121.397 119.914 0.085 0.000 2.427 37 V HA 0.647 4.767 4.120 0.000 0.000 0.286 37 V C 1.023 177.168 176.094 0.084 0.000 1.034 37 V CA -0.068 62.275 62.300 0.072 0.000 0.893 37 V CB 1.789 33.637 31.823 0.041 0.000 0.982 37 V HN 0.922 nan 8.190 nan 0.000 0.452 38 S N 4.763 120.532 115.700 0.115 0.000 2.528 38 S HA 0.624 5.094 4.470 0.000 0.000 0.277 38 S C -0.580 174.152 174.600 0.219 0.000 1.297 38 S CA -0.545 57.768 58.200 0.189 0.000 1.052 38 S CB 0.981 64.311 63.200 0.216 0.000 0.917 38 S HN 0.538 nan 8.310 nan 0.000 0.492 39 V N 3.305 123.318 119.914 0.164 0.000 2.841 39 V HA 0.581 4.701 4.120 0.000 0.000 0.310 39 V C -0.821 175.135 176.094 -0.230 0.000 1.090 39 V CA -0.923 61.376 62.300 -0.003 0.000 0.930 39 V CB 1.646 33.443 31.823 -0.043 0.000 1.014 39 V HN 0.865 nan 8.190 nan 0.000 0.425 40 L N 4.356 125.262 121.223 -0.529 0.000 2.325 40 L HA 0.699 5.039 4.340 0.000 0.000 0.281 40 L C -0.466 176.123 176.870 -0.469 0.000 1.004 40 L CA -0.148 54.229 54.840 -0.771 0.000 0.823 40 L CB 1.785 42.976 42.059 -1.447 0.000 1.236 40 L HN 0.516 nan 8.230 nan 0.000 0.415 41 V N 6.641 126.338 119.914 -0.362 0.000 2.432 41 V HA 0.332 4.452 4.120 0.000 0.000 0.271 41 V C 0.147 176.041 176.094 -0.334 0.000 1.046 41 V CA -0.376 61.758 62.300 -0.277 0.000 0.945 41 V CB 1.125 32.835 31.823 -0.189 0.000 0.992 41 V HN 0.560 nan 8.190 nan 0.000 0.471 42 L N 4.773 125.817 121.223 -0.298 0.000 2.280 42 L HA 0.615 4.955 4.340 0.000 0.000 0.287 42 L C -0.252 176.514 176.870 -0.174 0.000 1.023 42 L CA -0.348 54.323 54.840 -0.281 0.000 0.819 42 L CB 1.621 43.519 42.059 -0.269 0.000 1.212 42 L HN 0.628 nan 8.230 nan 0.000 0.420 43 E N 2.326 122.434 120.200 -0.153 0.000 2.210 43 E HA 0.517 4.867 4.350 0.000 0.000 0.266 43 E C 0.091 176.582 176.600 -0.182 0.000 0.883 43 E CA -0.367 55.942 56.400 -0.151 0.000 0.761 43 E CB 2.098 31.717 29.700 -0.135 0.000 1.156 43 E HN 0.534 nan 8.360 nan 0.000 0.412 44 A N 5.387 128.021 122.820 -0.310 0.000 1.898 44 A HA 0.018 4.338 4.320 0.000 0.000 0.216 44 A C 1.066 178.299 177.584 -0.585 0.000 1.181 44 A CA 0.895 52.592 52.037 -0.567 0.000 0.620 44 A CB -0.160 18.182 19.000 -1.097 0.000 0.819 44 A HN 0.582 nan 8.150 nan 0.000 0.442 45 R N -0.113 120.109 120.500 -0.462 0.000 2.580 45 R HA 0.260 4.600 4.340 0.000 0.000 0.267 45 R C -0.088 176.118 176.300 -0.157 0.000 1.125 45 R CA 0.300 56.239 56.100 -0.269 0.000 1.188 45 R CB 0.046 30.236 30.300 -0.184 0.000 1.155 45 R HN 0.536 nan 8.270 nan 0.000 0.586 46 D N -0.387 119.953 120.400 -0.101 0.000 2.346 46 D HA -0.003 4.637 4.640 0.000 0.000 0.248 46 D C -0.206 176.056 176.300 -0.064 0.000 1.173 46 D CA -0.077 53.886 54.000 -0.061 0.000 0.878 46 D CB -0.061 40.718 40.800 -0.034 0.000 0.919 46 D HN 0.370 nan 8.370 nan 0.000 0.513 47 R N -1.492 118.951 120.500 -0.094 0.000 2.709 47 R HA 0.486 4.826 4.340 0.000 0.000 0.270 47 R C -1.030 175.213 176.300 -0.095 0.000 1.038 47 R CA -1.186 54.861 56.100 -0.089 0.000 0.872 47 R CB 0.711 30.933 30.300 -0.130 0.000 1.259 47 R HN -0.042 nan 8.270 nan 0.000 0.473 48 V N -1.018 118.857 119.914 -0.065 0.000 3.134 48 V HA 0.877 4.997 4.120 0.000 0.000 0.313 48 V C 1.014 177.091 176.094 -0.027 0.000 1.069 48 V CA 0.509 62.779 62.300 -0.051 0.000 1.048 48 V CB 0.843 32.641 31.823 -0.041 0.000 1.119 48 V HN 1.263 nan 8.190 nan 0.000 0.461 49 G N -0.708 108.088 108.800 -0.005 0.000 2.278 49 G HA2 0.160 4.120 3.960 0.000 0.000 0.210 49 G HA3 0.160 4.120 3.960 0.000 0.000 0.210 49 G C 1.576 176.512 174.900 0.060 0.000 1.000 49 G CA 0.707 45.827 45.100 0.034 0.000 0.635 49 G HN 2.615 nan 8.290 nan 0.000 0.495 50 G N 0.510 109.344 108.800 0.057 0.000 2.620 50 G HA2 -0.400 3.560 3.960 0.000 0.000 0.315 50 G HA3 -0.400 3.560 3.960 0.000 0.000 0.315 50 G C 0.920 175.939 174.900 0.198 0.000 1.179 50 G CA 1.440 46.605 45.100 0.110 0.000 0.971 50 G HN 1.182 nan 8.290 nan 0.000 0.544 51 R N 1.773 122.311 120.500 0.064 0.000 2.313 51 R HA 0.266 4.606 4.340 0.000 0.000 0.199 51 R C 0.884 177.045 176.300 -0.232 0.000 0.958 51 R CA 0.969 56.928 56.100 -0.235 0.000 1.047 51 R CB 0.019 30.134 30.300 -0.307 0.000 0.955 51 R HN 0.691 nan 8.270 nan 0.000 0.481 52 T N -2.021 112.555 114.554 0.037 0.000 2.795 52 T HA 0.340 4.690 4.350 0.000 0.000 0.282 52 T C -0.975 173.923 174.700 0.331 0.000 0.980 52 T CA -0.590 61.590 62.100 0.133 0.000 1.012 52 T CB 1.603 70.533 68.868 0.103 0.000 0.936 52 T HN 0.007 nan 8.240 nan 0.000 0.457 53 Y N 1.659 122.102 120.300 0.237 0.000 2.323 53 Y HA 0.418 4.968 4.550 -0.000 0.000 0.322 53 Y C -1.139 174.887 175.900 0.210 0.000 1.133 53 Y CA -1.247 57.003 58.100 0.251 0.000 1.093 53 Y CB 1.652 40.338 38.460 0.375 0.000 1.203 53 Y HN 0.859 nan 8.280 nan 0.000 0.427 54 T N 7.615 122.340 114.554 0.285 0.000 2.753 54 T HA 0.526 4.876 4.350 0.000 0.000 0.297 54 T C 0.205 174.897 174.700 -0.013 0.000 0.981 54 T CA -0.257 61.914 62.100 0.119 0.000 0.956 54 T CB 0.204 69.163 68.868 0.153 0.000 0.936 54 T HN 0.474 nan 8.240 nan 0.000 0.463 55 I N 3.785 124.260 120.570 -0.160 0.000 2.428 55 I HA 0.350 4.520 4.170 0.000 0.000 0.289 55 I C 0.536 176.652 176.117 -0.003 0.000 1.019 55 I CA -0.527 60.657 61.300 -0.193 0.000 1.351 55 I CB 0.836 38.657 38.000 -0.298 0.000 1.412 55 I HN 0.343 nan 8.210 nan 0.000 0.513 56 R N 6.706 127.220 120.500 0.023 0.000 2.409 56 R HA 0.452 4.792 4.340 0.000 0.000 0.313 56 R C -0.892 175.422 176.300 0.024 0.000 0.953 56 R CA -0.661 55.471 56.100 0.054 0.000 0.849 56 R CB 1.270 31.613 30.300 0.073 0.000 1.171 56 R HN 0.741 nan 8.270 nan 0.000 0.458 57 N N 0.749 119.450 118.700 0.001 0.000 3.243 57 N HA 0.039 4.779 4.740 0.000 0.000 0.280 57 N C 0.041 175.500 175.510 -0.085 0.000 1.545 57 N CA -0.696 52.340 53.050 -0.023 0.000 0.854 57 N CB 1.045 39.545 38.487 0.022 0.000 1.612 57 N HN 0.388 nan 8.380 nan 0.000 0.577 58 E N -0.226 119.877 120.200 -0.162 0.000 2.158 58 E HA -0.064 4.286 4.350 0.000 0.000 0.191 58 E C 1.030 177.437 176.600 -0.321 0.000 0.982 58 E CA 1.281 57.537 56.400 -0.241 0.000 0.823 58 E CB -0.510 29.017 29.700 -0.290 0.000 0.766 58 E HN 0.559 nan 8.360 nan 0.000 0.468 59 H N 0.167 119.032 119.070 -0.341 0.000 2.524 59 H HA 0.056 4.612 4.556 0.000 0.000 0.282 59 H C 1.750 176.683 175.328 -0.657 0.000 1.016 59 H CA 1.568 57.275 56.048 -0.569 0.000 1.270 59 H CB 0.634 29.716 29.762 -1.133 0.000 1.394 59 H HN 0.361 nan 8.280 nan 0.000 0.568 60 V N -3.285 116.405 119.914 -0.373 0.000 3.562 60 V HA 0.146 4.266 4.120 0.000 0.000 0.270 60 V C 1.113 177.087 176.094 -0.200 0.000 1.418 60 V CA 0.794 62.861 62.300 -0.388 0.000 1.033 60 V CB 1.176 32.824 31.823 -0.292 0.000 0.820 60 V HN 0.176 nan 8.190 nan 0.000 0.441 61 D N 1.516 121.838 120.400 -0.130 0.000 4.428 61 D HA -0.257 4.383 4.640 0.000 0.000 0.207 61 D C 0.130 176.490 176.300 0.101 0.000 0.964 61 D CA 2.892 56.877 54.000 -0.024 0.000 2.109 61 D CB -1.371 39.404 40.800 -0.041 0.000 1.140 61 D HN 0.944 nan 8.370 nan 0.000 0.408 62 Y N -1.217 119.092 120.300 0.014 0.000 2.562 62 Y HA 0.706 5.256 4.550 -0.000 0.000 0.345 62 Y C -1.022 174.919 175.900 0.070 0.000 1.045 62 Y CA -0.907 57.212 58.100 0.031 0.000 1.028 62 Y CB 1.825 40.310 38.460 0.041 0.000 1.297 62 Y HN 0.210 nan 8.280 nan 0.000 0.463 63 V N 2.106 122.136 119.914 0.194 0.000 2.852 63 V HA 0.297 4.417 4.120 0.000 0.000 0.300 63 V C -1.609 174.576 176.094 0.153 0.000 1.205 63 V CA -0.729 61.659 62.300 0.148 0.000 0.940 63 V CB 1.988 33.894 31.823 0.139 0.000 1.047 63 V HN 0.949 nan 8.190 nan 0.000 0.429 64 D N 4.589 125.084 120.400 0.159 0.000 2.358 64 D HA 0.152 4.792 4.640 0.000 0.000 0.258 64 D C 0.988 177.372 176.300 0.140 0.000 1.223 64 D CA 0.503 54.583 54.000 0.134 0.000 0.886 64 D CB 1.982 42.833 40.800 0.085 0.000 1.120 64 D HN 0.674 nan 8.370 nan 0.000 0.482 65 V N 0.929 120.956 119.914 0.189 0.000 3.647 65 V HA 0.351 4.471 4.120 0.000 0.000 0.279 65 V C 0.883 177.354 176.094 0.629 0.000 1.314 65 V CA 0.491 62.979 62.300 0.314 0.000 1.125 65 V CB 0.434 32.358 31.823 0.168 0.000 0.907 65 V HN 0.421 nan 8.190 nan 0.000 0.434 66 G N 0.102 109.173 108.800 0.452 0.000 3.135 66 G HA2 0.559 4.519 3.960 0.000 0.000 0.159 66 G HA3 0.559 4.519 3.960 0.000 0.000 0.159 66 G C 0.256 175.166 174.900 0.017 0.000 1.244 66 G CA -0.450 44.734 45.100 0.141 0.000 0.965 66 G HN 0.659 nan 8.290 nan 0.000 0.599 67 G N -1.165 107.577 108.800 -0.098 0.000 2.414 67 G HA2 0.514 4.474 3.960 0.000 0.000 0.236 67 G HA3 0.514 4.474 3.960 0.000 0.000 0.236 67 G C 0.550 175.414 174.900 -0.060 0.000 1.293 67 G CA 0.983 46.034 45.100 -0.081 0.000 0.869 67 G HN 1.326 nan 8.290 nan 0.000 0.556 68 A N 1.970 124.666 122.820 -0.207 0.000 1.895 68 A HA 0.413 4.733 4.320 0.000 0.000 0.198 68 A C 0.197 177.450 177.584 -0.552 0.000 1.709 68 A CA -0.137 51.671 52.037 -0.382 0.000 1.194 68 A CB 0.194 18.803 19.000 -0.652 0.000 1.260 68 A HN 0.592 nan 8.150 nan 0.000 0.441 69 Y N 0.539 120.757 120.300 -0.136 0.000 2.310 69 Y HA 0.484 5.034 4.550 -0.000 0.000 0.326 69 Y C 0.406 176.121 175.900 -0.307 0.000 1.151 69 Y CA -0.350 57.602 58.100 -0.246 0.000 1.195 69 Y CB 1.526 39.879 38.460 -0.178 0.000 1.210 69 Y HN 0.276 nan 8.280 nan 0.000 0.483 70 V N -0.256 119.482 119.914 -0.293 0.000 3.040 70 V HA 1.102 5.222 4.120 0.000 0.000 0.312 70 V C -0.409 175.478 176.094 -0.345 0.000 1.115 70 V CA -0.492 61.585 62.300 -0.371 0.000 0.998 70 V CB 1.720 33.257 31.823 -0.477 0.000 1.042 70 V HN 0.929 nan 8.190 nan 0.000 0.433 71 G N 0.832 109.390 108.800 -0.404 0.000 2.663 71 G HA2 0.742 4.702 3.960 0.000 0.000 0.299 71 G HA3 0.742 4.702 3.960 0.000 0.000 0.299 71 G C -3.462 171.275 174.900 -0.272 0.000 1.372 71 G CA -1.510 43.404 45.100 -0.310 0.000 0.781 71 G HN 0.692 nan 8.290 nan 0.000 0.491 72 P HA 0.129 nan 4.420 nan 0.000 0.266 72 P C 0.838 178.106 177.300 -0.054 0.000 1.193 72 P CA 2.031 65.081 63.100 -0.084 0.000 0.770 72 P CB 0.708 32.386 31.700 -0.036 0.000 0.836 73 T N -1.822 112.732 114.554 0.000 0.000 7.013 73 T HA -0.282 4.068 4.350 0.000 0.000 0.288 73 T C 0.270 175.011 174.700 0.067 0.000 2.146 73 T CA 1.055 63.214 62.100 0.097 0.000 3.498 73 T CB -2.598 66.422 68.868 0.254 0.000 1.517 73 T HN 0.597 nan 8.240 nan 0.000 1.113 74 Q N 1.231 120.925 119.800 -0.177 0.000 3.135 74 Q HA 0.361 4.701 4.340 0.000 0.000 0.344 74 Q C 0.809 176.739 176.000 -0.116 0.000 1.321 74 Q CA -0.484 55.136 55.803 -0.304 0.000 1.050 74 Q CB 0.239 28.602 28.738 -0.626 0.000 1.498 74 Q HN 0.468 nan 8.270 nan 0.000 0.503 75 N N 0.871 119.557 118.700 -0.023 0.000 2.331 75 N HA -0.068 4.672 4.740 0.000 0.000 0.180 75 N C 1.293 176.812 175.510 0.014 0.000 1.019 75 N CA 0.835 53.886 53.050 0.001 0.000 0.881 75 N CB 0.265 38.767 38.487 0.024 0.000 0.972 75 N HN 0.377 nan 8.380 nan 0.000 0.435 76 R N 0.345 120.860 120.500 0.025 0.000 2.062 76 R HA 0.019 4.359 4.340 0.000 0.000 0.229 76 R C 1.983 178.303 176.300 0.033 0.000 1.128 76 R CA 0.736 56.858 56.100 0.036 0.000 0.960 76 R CB -0.362 29.971 30.300 0.055 0.000 0.855 76 R HN 0.101 nan 8.270 nan 0.000 0.432 77 I N 1.245 121.834 120.570 0.032 0.000 2.394 77 I HA -0.169 4.001 4.170 0.000 0.000 0.251 77 I C 1.836 178.017 176.117 0.106 0.000 1.136 77 I CA 1.233 62.574 61.300 0.069 0.000 1.425 77 I CB -0.061 37.995 38.000 0.094 0.000 1.079 77 I HN 0.097 nan 8.210 nan 0.000 0.425 78 L N 0.239 121.503 121.223 0.068 0.000 2.012 78 L HA -0.207 4.133 4.340 0.000 0.000 0.210 78 L C 2.767 179.672 176.870 0.059 0.000 1.073 78 L CA 1.554 56.441 54.840 0.078 0.000 0.748 78 L CB -0.856 41.215 42.059 0.019 0.000 0.891 78 L HN 0.259 nan 8.230 nan 0.000 0.431 79 R N 0.603 121.123 120.500 0.033 0.000 2.075 79 R HA -0.166 4.174 4.340 0.000 0.000 0.232 79 R C 2.260 178.567 176.300 0.011 0.000 1.126 79 R CA 1.563 57.676 56.100 0.021 0.000 0.963 79 R CB -0.573 29.739 30.300 0.019 0.000 0.858 79 R HN 0.258 nan 8.270 nan 0.000 0.435 80 L N 0.945 122.172 121.223 0.008 0.000 2.056 80 L HA -0.045 4.295 4.340 0.000 0.000 0.207 80 L C 2.343 179.183 176.870 -0.050 0.000 1.078 80 L CA 1.764 56.593 54.840 -0.017 0.000 0.749 80 L CB -0.738 41.312 42.059 -0.015 0.000 0.901 80 L HN 0.063 nan 8.230 nan 0.000 0.433 81 S N -0.443 115.226 115.700 -0.052 0.000 2.359 81 S HA -0.297 4.173 4.470 0.000 0.000 0.223 81 S C 2.042 176.598 174.600 -0.073 0.000 1.039 81 S CA 1.943 60.061 58.200 -0.136 0.000 1.042 81 S CB -0.316 62.910 63.200 0.043 0.000 0.915 81 S HN 0.494 nan 8.310 nan 0.000 0.439 82 K N 1.135 121.534 120.400 -0.001 0.000 2.026 82 K HA -0.183 4.137 4.320 0.000 0.000 0.208 82 K C 2.004 178.595 176.600 -0.014 0.000 1.048 82 K CA 1.832 58.123 56.287 0.006 0.000 0.929 82 K CB -0.263 32.253 32.500 0.026 0.000 0.713 82 K HN 0.595 nan 8.250 nan 0.000 0.439 83 E N 0.379 120.568 120.200 -0.018 0.000 2.478 83 E HA -0.134 4.216 4.350 0.000 0.000 0.198 83 E C 1.268 177.847 176.600 -0.035 0.000 1.046 83 E CA 0.640 57.027 56.400 -0.022 0.000 0.870 83 E CB -0.059 29.631 29.700 -0.017 0.000 0.818 83 E HN 0.372 nan 8.360 nan 0.000 0.527 84 L N 0.329 121.521 121.223 -0.052 0.000 2.667 84 L HA 0.337 4.677 4.340 0.000 0.000 0.232 84 L C 1.010 177.841 176.870 -0.065 0.000 1.138 84 L CA 0.176 54.977 54.840 -0.065 0.000 0.921 84 L CB 0.371 42.373 42.059 -0.095 0.000 1.180 84 L HN 0.417 nan 8.230 nan 0.000 0.487 85 G N 1.320 110.091 108.800 -0.048 0.000 2.182 85 G HA2 -0.272 3.688 3.960 0.000 0.000 0.248 85 G HA3 -0.272 3.688 3.960 0.000 0.000 0.248 85 G C -0.137 174.739 174.900 -0.041 0.000 1.042 85 G CA -0.097 44.981 45.100 -0.036 0.000 0.775 85 G HN 0.291 nan 8.290 nan 0.000 0.501 86 I N 0.732 121.271 120.570 -0.052 0.000 2.404 86 I HA 0.515 4.685 4.170 0.000 0.000 0.293 86 I C 0.330 176.484 176.117 0.062 0.000 0.992 86 I CA -0.909 60.360 61.300 -0.051 0.000 1.149 86 I CB 1.537 39.406 38.000 -0.219 0.000 1.315 86 I HN 0.383 nan 8.210 nan 0.000 0.446 87 E N 3.446 123.720 120.200 0.124 0.000 2.235 87 E HA 0.695 5.045 4.350 0.000 0.000 0.265 87 E C -0.932 175.835 176.600 0.279 0.000 0.940 87 E CA -0.975 55.530 56.400 0.174 0.000 0.819 87 E CB 1.677 31.445 29.700 0.114 0.000 1.206 87 E HN 0.537 nan 8.360 nan 0.000 0.409 88 T N -1.125 113.552 114.554 0.206 0.000 2.940 88 T HA 0.585 4.935 4.350 0.000 0.000 0.288 88 T C -0.728 174.066 174.700 0.158 0.000 1.033 88 T CA -0.787 61.375 62.100 0.104 0.000 1.033 88 T CB 0.629 69.456 68.868 -0.069 0.000 1.079 88 T HN 0.605 nan 8.240 nan 0.000 0.496 89 Y N -1.370 118.931 120.300 0.001 0.000 2.609 89 Y HA 0.718 5.268 4.550 -0.000 0.000 0.342 89 Y C -0.797 175.098 175.900 -0.008 0.000 1.058 89 Y CA -1.606 56.502 58.100 0.012 0.000 1.055 89 Y CB 1.353 39.840 38.460 0.044 0.000 1.292 89 Y HN 0.594 nan 8.280 nan 0.000 0.476 90 K N 2.136 122.564 120.400 0.046 0.000 2.276 90 K HA 0.412 4.732 4.320 0.000 0.000 0.283 90 K C -0.753 175.831 176.600 -0.026 0.000 1.044 90 K CA -0.808 55.450 56.287 -0.049 0.000 0.944 90 K CB 1.732 34.236 32.500 0.007 0.000 1.012 90 K HN 0.589 nan 8.250 nan 0.000 0.472 91 V N 3.169 123.014 119.914 -0.116 0.000 2.644 91 V HA -0.140 3.980 4.120 0.000 0.000 0.305 91 V C 0.647 176.734 176.094 -0.012 0.000 1.053 91 V CA 0.047 62.314 62.300 -0.055 0.000 1.186 91 V CB -0.055 31.696 31.823 -0.121 0.000 0.895 91 V HN 0.727 nan 8.190 nan 0.000 0.490 92 N N 4.006 122.726 118.700 0.034 0.000 2.438 92 N HA 0.224 4.964 4.740 0.000 0.000 0.267 92 N C 0.015 175.512 175.510 -0.022 0.000 1.222 92 N CA 0.030 53.099 53.050 0.031 0.000 0.930 92 N CB 0.755 39.290 38.487 0.080 0.000 1.083 92 N HN 0.567 nan 8.380 nan 0.000 0.476 93 V N 0.285 120.183 119.914 -0.026 0.000 2.967 93 V HA 0.308 4.428 4.120 0.000 0.000 0.364 93 V C 0.879 176.958 176.094 -0.026 0.000 1.373 93 V CA -0.429 61.841 62.300 -0.051 0.000 1.193 93 V CB 0.010 31.783 31.823 -0.082 0.000 1.236 93 V HN 0.453 nan 8.190 nan 0.000 0.582 94 S N 1.007 116.706 115.700 -0.001 0.000 2.387 94 S HA 0.043 4.513 4.470 0.000 0.000 0.226 94 S C 1.022 175.624 174.600 0.005 0.000 1.026 94 S CA 1.417 59.620 58.200 0.005 0.000 0.972 94 S CB 0.166 63.374 63.200 0.012 0.000 0.814 94 S HN 0.830 nan 8.310 nan 0.000 0.477 95 E N 0.710 120.919 120.200 0.014 0.000 3.466 95 E HA 0.384 4.734 4.350 0.000 0.000 0.265 95 E C 0.115 176.724 176.600 0.015 0.000 1.291 95 E CA -0.388 56.026 56.400 0.024 0.000 1.226 95 E CB 0.333 30.062 29.700 0.049 0.000 1.404 95 E HN 0.116 nan 8.360 nan 0.000 0.697 96 R N 0.289 120.827 120.500 0.064 0.000 2.308 96 R HA 0.323 4.663 4.340 0.000 0.000 0.305 96 R C -0.584 175.676 176.300 -0.067 0.000 1.053 96 R CA -0.656 55.461 56.100 0.027 0.000 0.957 96 R CB 0.277 30.667 30.300 0.150 0.000 1.022 96 R HN 0.160 nan 8.270 nan 0.000 0.461 97 L N 2.630 123.639 121.223 -0.356 0.000 2.452 97 L HA 0.228 4.568 4.340 0.000 0.000 0.267 97 L C 0.099 176.651 176.870 -0.531 0.000 1.188 97 L CA 0.108 54.602 54.840 -0.576 0.000 0.821 97 L CB 1.052 42.452 42.059 -1.099 0.000 1.102 97 L HN 0.433 nan 8.230 nan 0.000 0.470 98 V N 0.022 119.787 119.914 -0.248 0.000 2.876 98 V HA 0.669 4.789 4.120 0.000 0.000 0.312 98 V C -0.815 175.507 176.094 0.380 0.000 1.085 98 V CA -0.806 61.521 62.300 0.045 0.000 0.945 98 V CB 1.697 33.380 31.823 -0.234 0.000 1.017 98 V HN 0.841 nan 8.190 nan 0.000 0.428 99 Q N 2.793 122.921 119.800 0.546 0.000 2.333 99 Q HA 0.508 4.848 4.340 0.000 0.000 0.267 99 Q C -2.142 174.135 176.000 0.462 0.000 1.012 99 Q CA -0.768 55.339 55.803 0.506 0.000 0.824 99 Q CB 2.106 31.114 28.738 0.449 0.000 1.290 99 Q HN 0.967 nan 8.270 nan 0.000 0.449 100 Y N 4.873 125.329 120.300 0.260 0.000 2.402 100 Y HA 0.515 5.065 4.550 -0.000 0.000 0.332 100 Y C -1.633 174.409 175.900 0.237 0.000 0.960 100 Y CA -0.485 57.739 58.100 0.206 0.000 1.228 100 Y CB 0.862 39.399 38.460 0.127 0.000 1.120 100 Y HN 0.430 nan 8.280 nan 0.000 0.491 101 V N 3.853 123.736 119.914 -0.051 0.000 2.876 101 V HA 0.408 4.528 4.120 0.000 0.000 0.312 101 V C -0.307 175.682 176.094 -0.175 0.000 1.085 101 V CA -2.009 60.248 62.300 -0.072 0.000 0.945 101 V CB 1.904 33.780 31.823 0.088 0.000 1.017 101 V HN 0.696 nan 8.190 nan 0.000 0.428 102 K N 2.310 122.610 120.400 -0.166 0.000 3.156 102 K HA -0.225 4.095 4.320 0.000 0.000 0.266 102 K C 1.107 177.607 176.600 -0.167 0.000 0.966 102 K CA 0.683 56.907 56.287 -0.106 0.000 0.719 102 K CB -1.545 30.946 32.500 -0.014 0.000 1.333 102 K HN 1.902 nan 8.250 nan 0.000 0.468 103 G N -0.339 108.233 108.800 -0.379 0.000 2.166 103 G HA2 -0.363 3.597 3.960 0.000 0.000 0.260 103 G HA3 -0.363 3.597 3.960 0.000 0.000 0.260 103 G C -0.086 174.681 174.900 -0.221 0.000 0.986 103 G CA 1.112 46.056 45.100 -0.261 0.000 0.683 103 G HN 0.323 nan 8.290 nan 0.000 0.527 104 K N 0.400 120.577 120.400 -0.372 0.000 2.270 104 K HA 0.655 4.975 4.320 0.000 0.000 0.255 104 K C -0.017 176.405 176.600 -0.295 0.000 0.936 104 K CA -0.283 55.835 56.287 -0.282 0.000 0.809 104 K CB 1.515 33.813 32.500 -0.337 0.000 1.131 104 K HN 0.033 nan 8.250 nan 0.000 0.427 105 T N 3.138 117.567 114.554 -0.208 0.000 2.771 105 T HA 0.321 4.671 4.350 0.000 0.000 0.291 105 T C -0.946 173.565 174.700 -0.314 0.000 0.954 105 T CA -0.126 61.938 62.100 -0.060 0.000 1.045 105 T CB 0.077 68.969 68.868 0.039 0.000 0.917 105 T HN 0.269 nan 8.240 nan 0.000 0.484 106 Y N 4.243 124.649 120.300 0.175 0.000 2.646 106 Y HA 0.299 4.849 4.550 -0.000 0.000 0.334 106 Y C -2.159 173.918 175.900 0.295 0.000 1.004 106 Y CA -2.894 55.330 58.100 0.207 0.000 1.301 106 Y CB 0.903 39.477 38.460 0.189 0.000 1.093 106 Y HN 0.457 nan 8.280 nan 0.000 0.530 107 P HA 0.107 nan 4.420 nan 0.000 0.267 107 P C -0.657 176.908 177.300 0.441 0.000 1.200 107 P CA 0.442 63.730 63.100 0.312 0.000 0.772 107 P CB 0.826 32.725 31.700 0.331 0.000 0.855 108 F N -0.060 120.003 119.950 0.188 0.000 2.831 108 F HA 0.593 5.120 4.527 -0.000 0.000 0.318 108 F C 0.417 176.302 175.800 0.142 0.000 1.174 108 F CA -0.962 57.144 58.000 0.177 0.000 0.918 108 F CB 0.893 40.002 39.000 0.182 0.000 1.364 108 F HN -0.012 nan 8.300 nan 0.000 0.475 109 R N 0.412 121.059 120.500 0.245 0.000 2.507 109 R HA 0.489 4.829 4.340 0.000 0.000 0.230 109 R C 0.533 176.939 176.300 0.177 0.000 0.897 109 R CA 0.404 56.557 56.100 0.089 0.000 1.006 109 R CB 0.931 31.298 30.300 0.111 0.000 1.341 109 R HN 0.814 nan 8.270 nan 0.000 0.604 110 A N 0.704 123.771 122.820 0.412 0.000 2.262 110 A HA 0.474 4.794 4.320 0.000 0.000 0.273 110 A C 1.342 179.166 177.584 0.400 0.000 1.202 110 A CA 0.572 52.828 52.037 0.364 0.000 0.811 110 A CB 0.059 19.277 19.000 0.363 0.000 1.159 110 A HN 0.232 nan 8.150 nan 0.000 0.505 111 A N -1.505 121.493 122.820 0.296 0.000 2.067 111 A HA 0.385 4.705 4.320 0.000 0.000 0.217 111 A C 0.193 177.845 177.584 0.113 0.000 1.156 111 A CA 0.759 52.885 52.037 0.148 0.000 0.683 111 A CB -0.286 18.744 19.000 0.050 0.000 0.808 111 A HN 0.535 nan 8.150 nan 0.000 0.455 112 F N -0.803 119.335 119.950 0.314 0.000 2.540 112 F HA 0.461 4.988 4.527 -0.000 0.000 0.317 112 F C -2.520 173.140 175.800 -0.233 0.000 1.104 112 F CA -2.783 55.309 58.000 0.154 0.000 0.913 112 F CB 1.643 40.647 39.000 0.005 0.000 1.170 112 F HN -0.177 nan 8.300 nan 0.000 0.450 113 P HA 0.010 nan 4.420 nan 0.000 0.262 113 P C -2.480 174.507 177.300 -0.521 0.000 1.182 113 P CA -0.600 61.858 63.100 -1.070 0.000 0.761 113 P CB -0.198 31.148 31.700 -0.590 0.000 0.795 114 P HA 0.071 nan 4.420 nan 0.000 0.275 114 P C -0.875 176.170 177.300 -0.425 0.000 1.227 114 P CA 0.125 63.042 63.100 -0.306 0.000 0.781 114 P CB 0.723 32.333 31.700 -0.149 0.000 0.906 115 V N 3.876 123.486 119.914 -0.506 0.000 2.378 115 V HA 0.186 4.306 4.120 0.000 0.000 0.288 115 V C 0.394 176.284 176.094 -0.340 0.000 1.016 115 V CA -0.128 61.897 62.300 -0.457 0.000 0.840 115 V CB 1.178 32.585 31.823 -0.695 0.000 0.994 115 V HN 0.665 nan 8.190 nan 0.000 0.431 116 W N 1.592 122.796 121.300 -0.160 0.000 2.996 116 W HA 0.202 4.862 4.660 -0.000 0.000 0.270 116 W C 1.374 177.838 176.519 -0.091 0.000 1.280 116 W CA -0.255 57.017 57.345 -0.121 0.000 1.549 116 W CB 0.396 29.788 29.460 -0.112 0.000 1.079 116 W HN 0.472 nan 8.180 nan 0.000 0.629 117 N N 1.837 120.598 118.700 0.101 0.000 2.452 117 N HA -0.013 4.727 4.740 0.000 0.000 0.266 117 N C -1.722 173.826 175.510 0.064 0.000 1.209 117 N CA -0.753 52.339 53.050 0.069 0.000 0.929 117 N CB 1.435 39.941 38.487 0.032 0.000 1.063 117 N HN -0.126 nan 8.380 nan 0.000 0.472 118 P HA -0.089 nan 4.420 nan 0.000 0.218 118 P C 1.457 178.807 177.300 0.084 0.000 1.149 118 P CA 0.754 63.883 63.100 0.049 0.000 0.817 118 P CB 0.408 32.117 31.700 0.014 0.000 0.785 119 I N -0.426 120.188 120.570 0.075 0.000 2.333 119 I HA -0.097 4.073 4.170 0.000 0.000 0.246 119 I C 2.271 178.440 176.117 0.087 0.000 1.106 119 I CA 1.278 62.629 61.300 0.085 0.000 1.411 119 I CB -1.861 36.216 38.000 0.130 0.000 1.082 119 I HN -0.096 nan 8.210 nan 0.000 0.420 120 A N 0.301 123.162 122.820 0.068 0.000 1.902 120 A HA -0.289 4.031 4.320 0.000 0.000 0.217 120 A C 2.383 179.929 177.584 -0.063 0.000 1.181 120 A CA 1.505 53.538 52.037 -0.007 0.000 0.623 120 A CB -1.259 17.704 19.000 -0.061 0.000 0.818 120 A HN 0.455 nan 8.150 nan 0.000 0.443 121 Y N 0.712 120.932 120.300 -0.134 0.000 2.040 121 Y HA -0.311 4.239 4.550 0.000 0.000 0.275 121 Y C 2.083 177.936 175.900 -0.079 0.000 1.171 121 Y CA 2.298 60.306 58.100 -0.154 0.000 1.123 121 Y CB -0.331 38.020 38.460 -0.183 0.000 0.963 121 Y HN 0.254 nan 8.280 nan 0.000 0.493 122 L N -0.342 120.843 121.223 -0.062 0.000 2.042 122 L HA -0.260 4.080 4.340 0.000 0.000 0.210 122 L C 2.236 178.979 176.870 -0.210 0.000 1.076 122 L CA 1.708 56.473 54.840 -0.125 0.000 0.749 122 L CB -0.770 41.277 42.059 -0.020 0.000 0.893 122 L HN 0.267 nan 8.230 nan 0.000 0.432 123 D N -0.649 119.665 120.400 -0.143 0.000 2.092 123 D HA -0.261 4.379 4.640 0.000 0.000 0.193 123 D C 2.055 178.178 176.300 -0.295 0.000 0.994 123 D CA 1.434 55.340 54.000 -0.156 0.000 0.828 123 D CB -0.144 40.617 40.800 -0.065 0.000 0.963 123 D HN 0.283 nan 8.370 nan 0.000 0.450 124 Y N 0.625 120.619 120.300 -0.510 0.000 2.145 124 Y HA -0.230 4.320 4.550 -0.000 0.000 0.286 124 Y C 2.232 177.659 175.900 -0.789 0.000 1.145 124 Y CA 1.961 59.640 58.100 -0.702 0.000 1.148 124 Y CB -0.419 37.714 38.460 -0.545 0.000 0.981 124 Y HN -0.028 nan 8.280 nan 0.000 0.507 125 N N 0.623 119.010 118.700 -0.522 0.000 2.061 125 N HA -0.291 4.449 4.740 0.000 0.000 0.193 125 N C 1.705 176.967 175.510 -0.413 0.000 1.030 125 N CA 1.902 54.667 53.050 -0.476 0.000 0.856 125 N CB -0.631 37.533 38.487 -0.538 0.000 1.023 125 N HN 0.476 nan 8.380 nan 0.000 0.424 126 N N -0.285 118.182 118.700 -0.388 0.000 2.459 126 N HA -0.116 4.624 4.740 0.000 0.000 0.181 126 N C 1.674 176.948 175.510 -0.393 0.000 1.046 126 N CA 0.398 53.257 53.050 -0.317 0.000 0.904 126 N CB -0.015 38.330 38.487 -0.238 0.000 0.964 126 N HN 0.302 nan 8.380 nan 0.000 0.444 127 L N 0.386 121.247 121.223 -0.602 0.000 2.007 127 L HA 0.020 4.360 4.340 0.000 0.000 0.205 127 L C 1.852 178.321 176.870 -0.669 0.000 1.073 127 L CA 1.638 56.033 54.840 -0.743 0.000 0.744 127 L CB -1.207 40.149 42.059 -1.171 0.000 0.898 127 L HN 0.168 nan 8.230 nan 0.000 0.435 128 W N 0.033 121.009 121.300 -0.539 0.000 2.338 128 W HA -0.175 4.485 4.660 -0.000 0.000 0.304 128 W C 2.810 179.095 176.519 -0.391 0.000 1.212 128 W CA 1.029 58.050 57.345 -0.539 0.000 1.264 128 W CB -0.494 28.535 29.460 -0.719 0.000 1.142 128 W HN 0.141 nan 8.180 nan 0.000 0.512 129 R N 0.330 120.716 120.500 -0.190 0.000 2.091 129 R HA -0.145 4.195 4.340 0.000 0.000 0.238 129 R C 2.003 178.189 176.300 -0.189 0.000 1.136 129 R CA 2.168 58.134 56.100 -0.224 0.000 0.959 129 R CB -0.592 29.566 30.300 -0.237 0.000 0.856 129 R HN 0.039 nan 8.270 nan 0.000 0.437 130 T N 0.927 115.359 114.554 -0.204 0.000 2.812 130 T HA -0.056 4.294 4.350 0.000 0.000 0.264 130 T C 1.824 176.421 174.700 -0.171 0.000 1.042 130 T CA 1.317 63.305 62.100 -0.186 0.000 1.140 130 T CB -0.115 68.623 68.868 -0.217 0.000 0.870 130 T HN 0.163 nan 8.240 nan 0.000 0.445 131 I N 1.517 121.991 120.570 -0.160 0.000 2.118 131 I HA -0.239 3.931 4.170 0.000 0.000 0.241 131 I C 2.348 178.418 176.117 -0.078 0.000 1.070 131 I CA 1.425 62.667 61.300 -0.096 0.000 1.327 131 I CB -0.294 37.702 38.000 -0.006 0.000 1.034 131 I HN 0.180 nan 8.210 nan 0.000 0.405 132 D N 0.427 120.781 120.400 -0.077 0.000 2.144 132 D HA -0.142 4.498 4.640 0.000 0.000 0.200 132 D C 1.884 178.142 176.300 -0.069 0.000 0.978 132 D CA 1.105 55.062 54.000 -0.071 0.000 0.833 132 D CB -0.474 40.281 40.800 -0.076 0.000 0.961 132 D HN 0.315 nan 8.370 nan 0.000 0.470 133 N N 0.291 118.940 118.700 -0.084 0.000 2.188 133 N HA -0.034 4.706 4.740 0.000 0.000 0.184 133 N C 1.877 177.383 175.510 -0.006 0.000 1.018 133 N CA 0.578 53.596 53.050 -0.053 0.000 0.858 133 N CB -0.241 38.203 38.487 -0.071 0.000 0.989 133 N HN 0.236 nan 8.380 nan 0.000 0.426 134 M N -0.298 119.272 119.600 -0.050 0.000 2.319 134 M HA 0.009 4.489 4.480 0.000 0.000 0.265 134 M C 2.019 178.377 176.300 0.097 0.000 1.068 134 M CA 1.058 56.340 55.300 -0.030 0.000 1.118 134 M CB -0.249 32.118 32.600 -0.387 0.000 1.395 134 M HN 0.168 nan 8.290 nan 0.000 0.435 135 G N 0.655 109.468 108.800 0.022 0.000 2.418 135 G HA2 -0.202 3.758 3.960 0.000 0.000 0.217 135 G HA3 -0.202 3.758 3.960 0.000 0.000 0.217 135 G C 1.496 176.431 174.900 0.059 0.000 1.158 135 G CA 0.719 45.841 45.100 0.038 0.000 0.771 135 G HN 0.367 nan 8.290 nan 0.000 0.545 136 K N 0.195 120.615 120.400 0.033 0.000 2.071 136 K HA -0.270 4.050 4.320 0.000 0.000 0.217 136 K C 2.299 178.933 176.600 0.056 0.000 1.054 136 K CA 1.836 58.141 56.287 0.029 0.000 0.937 136 K CB -0.258 32.252 32.500 0.017 0.000 0.719 136 K HN 0.365 nan 8.250 nan 0.000 0.454 137 E N 0.646 120.917 120.200 0.119 0.000 2.208 137 E HA -0.160 4.190 4.350 0.000 0.000 0.202 137 E C -0.043 176.603 176.600 0.077 0.000 1.014 137 E CA 0.965 57.438 56.400 0.122 0.000 0.819 137 E CB 0.003 29.870 29.700 0.277 0.000 0.735 137 E HN 0.241 nan 8.360 nan 0.000 0.469 138 I N 1.665 122.309 120.570 0.123 0.000 2.315 138 I HA 0.216 4.386 4.170 0.000 0.000 0.291 138 I C -2.243 173.901 176.117 0.044 0.000 1.006 138 I CA -2.502 58.863 61.300 0.108 0.000 1.265 138 I CB 1.351 39.491 38.000 0.233 0.000 1.387 138 I HN -0.140 nan 8.210 nan 0.000 0.475 139 P HA 0.102 nan 4.420 nan 0.000 0.271 139 P C 0.589 177.867 177.300 -0.036 0.000 1.226 139 P CA -0.130 62.911 63.100 -0.098 0.000 0.765 139 P CB 0.666 32.237 31.700 -0.216 0.000 0.835 140 T N 0.672 115.241 114.554 0.025 0.000 2.684 140 T HA -0.162 4.188 4.350 0.000 0.000 0.267 140 T C 0.930 175.763 174.700 0.221 0.000 1.036 140 T CA 1.666 63.874 62.100 0.181 0.000 1.148 140 T CB -0.543 68.340 68.868 0.024 0.000 0.863 140 T HN 0.419 nan 8.240 nan 0.000 0.436 141 D N 1.142 121.510 120.400 -0.053 0.000 2.323 141 D HA 0.281 4.921 4.640 0.000 0.000 0.209 141 D C 0.837 176.903 176.300 -0.391 0.000 0.973 141 D CA 0.462 54.379 54.000 -0.138 0.000 0.874 141 D CB 0.115 40.782 40.800 -0.222 0.000 0.930 141 D HN 0.457 nan 8.370 nan 0.000 0.521 142 A N 0.816 123.240 122.820 -0.661 0.000 3.453 142 A HA 0.302 4.622 4.320 0.000 0.000 0.262 142 A C -1.923 174.805 177.584 -1.426 0.000 1.026 142 A CA -0.773 50.371 52.037 -1.488 0.000 0.938 142 A CB 0.803 19.236 19.000 -0.945 0.000 1.246 142 A HN -0.168 nan 8.150 nan 0.000 0.546 143 P HA -0.185 nan 4.420 nan 0.000 0.219 143 P C 1.166 178.228 177.300 -0.397 0.000 1.146 143 P CA 1.421 64.177 63.100 -0.575 0.000 0.808 143 P CB -0.289 31.056 31.700 -0.591 0.000 0.779 144 W N 0.861 122.085 121.300 -0.127 0.000 2.699 144 W HA 0.118 4.778 4.660 0.000 0.000 0.249 144 W C 1.325 177.797 176.519 -0.077 0.000 1.280 144 W CA 0.321 57.613 57.345 -0.088 0.000 1.345 144 W CB -1.632 27.775 29.460 -0.088 0.000 1.128 144 W HN -0.032 nan 8.180 nan 0.000 0.642 145 E N 0.960 120.928 120.200 -0.388 0.000 2.489 145 E HA 0.174 4.524 4.350 0.000 0.000 0.193 145 E C 1.108 177.597 176.600 -0.185 0.000 1.057 145 E CA 0.099 56.373 56.400 -0.209 0.000 0.866 145 E CB -0.072 29.447 29.700 -0.302 0.000 0.916 145 E HN 0.211 nan 8.360 nan 0.000 0.500 146 A N 1.695 124.401 122.820 -0.190 0.000 2.561 146 A HA -0.150 4.170 4.320 0.000 0.000 0.234 146 A C 1.295 178.738 177.584 -0.236 0.000 1.055 146 A CA 0.250 52.179 52.037 -0.180 0.000 0.756 146 A CB 0.386 19.307 19.000 -0.131 0.000 0.986 146 A HN 0.288 nan 8.150 nan 0.000 0.505 147 Q N 1.335 120.970 119.800 -0.275 0.000 2.103 147 Q HA -0.289 4.051 4.340 0.000 0.000 0.213 147 Q C 0.769 176.430 176.000 -0.565 0.000 1.008 147 Q CA 2.742 58.312 55.803 -0.389 0.000 0.879 147 Q CB -0.257 28.240 28.738 -0.402 0.000 0.946 147 Q HN 0.952 nan 8.270 nan 0.000 0.413 148 H N -0.872 117.817 119.070 -0.635 0.000 2.538 148 H HA 0.334 4.890 4.556 0.000 0.000 0.286 148 H C 1.359 176.295 175.328 -0.654 0.000 1.035 148 H CA 0.164 55.717 56.048 -0.824 0.000 1.169 148 H CB 0.358 29.196 29.762 -1.540 0.000 1.417 148 H HN 0.454 nan 8.280 nan 0.000 0.567 149 A N 0.674 123.322 122.820 -0.286 0.000 1.892 149 A HA -0.257 4.063 4.320 0.000 0.000 0.218 149 A C 1.934 179.532 177.584 0.024 0.000 1.188 149 A CA 2.163 54.155 52.037 -0.075 0.000 0.631 149 A CB -0.225 18.764 19.000 -0.019 0.000 0.822 149 A HN 0.457 nan 8.150 nan 0.000 0.447 150 D N -0.781 119.615 120.400 -0.007 0.000 2.097 150 D HA -0.150 4.490 4.640 0.000 0.000 0.197 150 D C 1.968 178.314 176.300 0.077 0.000 0.984 150 D CA 1.496 55.518 54.000 0.037 0.000 0.826 150 D CB -0.234 40.571 40.800 0.009 0.000 0.973 150 D HN 0.587 nan 8.370 nan 0.000 0.460 151 K N 0.439 120.874 120.400 0.058 0.000 2.001 151 K HA -0.189 4.131 4.320 0.000 0.000 0.214 151 K C 2.184 178.951 176.600 0.278 0.000 1.050 151 K CA 1.471 57.837 56.287 0.131 0.000 0.934 151 K CB -0.109 32.456 32.500 0.108 0.000 0.718 151 K HN 0.104 nan 8.250 nan 0.000 0.443 152 W N 1.470 122.829 121.300 0.098 0.000 2.363 152 W HA -0.126 4.534 4.660 -0.000 0.000 0.296 152 W C 1.933 178.522 176.519 0.118 0.000 1.212 152 W CA 0.960 58.363 57.345 0.097 0.000 1.260 152 W CB -1.217 28.306 29.460 0.105 0.000 1.131 152 W HN 0.365 nan 8.180 nan 0.000 0.530 153 D N -0.205 120.395 120.400 0.332 0.000 2.312 153 D HA -0.102 4.538 4.640 0.000 0.000 0.211 153 D C 1.706 178.131 176.300 0.208 0.000 0.964 153 D CA 1.081 55.238 54.000 0.261 0.000 0.877 153 D CB 0.067 40.989 40.800 0.204 0.000 0.924 153 D HN 0.052 nan 8.370 nan 0.000 0.515 154 K N -0.422 120.087 120.400 0.182 0.000 2.167 154 K HA 0.063 4.383 4.320 0.000 0.000 0.203 154 K C 1.095 177.779 176.600 0.140 0.000 1.052 154 K CA 0.327 56.697 56.287 0.138 0.000 0.956 154 K CB -0.043 32.522 32.500 0.110 0.000 0.735 154 K HN 0.320 nan 8.250 nan 0.000 0.451 155 M N 1.244 120.943 119.600 0.164 0.000 2.250 155 M HA 0.168 4.648 4.480 0.000 0.000 0.344 155 M C 0.158 176.535 176.300 0.129 0.000 1.150 155 M CA -0.373 55.005 55.300 0.130 0.000 1.147 155 M CB 0.869 33.534 32.600 0.108 0.000 1.498 155 M HN -0.123 nan 8.290 nan 0.000 0.461 156 T N 0.061 114.672 114.554 0.096 0.000 2.849 156 T HA 0.233 4.583 4.350 0.000 0.000 0.284 156 T C 0.973 175.701 174.700 0.046 0.000 1.004 156 T CA -0.860 61.290 62.100 0.083 0.000 1.021 156 T CB 0.976 69.883 68.868 0.065 0.000 1.013 156 T HN 0.778 nan 8.240 nan 0.000 0.527 157 M N 0.319 119.926 119.600 0.012 0.000 2.374 157 M HA 0.065 4.545 4.480 0.000 0.000 0.264 157 M C 2.124 178.398 176.300 -0.043 0.000 1.067 157 M CA 1.215 56.480 55.300 -0.058 0.000 1.103 157 M CB -1.274 31.196 32.600 -0.217 0.000 1.402 157 M HN 0.835 nan 8.290 nan 0.000 0.444 158 K N 0.228 120.610 120.400 -0.031 0.000 2.057 158 K HA -0.187 4.133 4.320 0.000 0.000 0.207 158 K C 1.691 178.319 176.600 0.047 0.000 1.049 158 K CA 1.505 57.793 56.287 0.002 0.000 0.931 158 K CB 0.061 32.509 32.500 -0.087 0.000 0.714 158 K HN 0.381 nan 8.250 nan 0.000 0.440 159 E N 0.456 120.670 120.200 0.023 0.000 2.077 159 E HA -0.204 4.146 4.350 0.000 0.000 0.193 159 E C 1.932 178.532 176.600 -0.000 0.000 0.989 159 E CA 0.922 57.334 56.400 0.021 0.000 0.800 159 E CB -0.038 29.680 29.700 0.030 0.000 0.746 159 E HN 0.136 nan 8.360 nan 0.000 0.452 160 L N 0.945 122.154 121.223 -0.024 0.000 2.056 160 L HA -0.112 4.228 4.340 0.000 0.000 0.207 160 L C 1.961 178.783 176.870 -0.080 0.000 1.078 160 L CA 1.424 56.219 54.840 -0.076 0.000 0.749 160 L CB -0.245 41.739 42.059 -0.125 0.000 0.901 160 L HN 0.118 nan 8.230 nan 0.000 0.433 161 I N -0.267 120.275 120.570 -0.047 0.000 2.127 161 I HA -0.305 3.865 4.170 0.000 0.000 0.241 161 I C 1.888 177.968 176.117 -0.061 0.000 1.075 161 I CA 1.559 62.822 61.300 -0.062 0.000 1.334 161 I CB -0.497 37.528 38.000 0.042 0.000 1.040 161 I HN 0.252 nan 8.210 nan 0.000 0.405 162 D N 0.410 120.817 120.400 0.010 0.000 2.219 162 D HA -0.171 4.469 4.640 0.000 0.000 0.205 162 D C 2.022 178.312 176.300 -0.016 0.000 0.970 162 D CA 0.937 54.940 54.000 0.005 0.000 0.851 162 D CB -0.129 40.701 40.800 0.050 0.000 0.943 162 D HN 0.119 nan 8.370 nan 0.000 0.488 163 K N 1.240 121.624 120.400 -0.027 0.000 2.076 163 K HA 0.015 4.335 4.320 0.000 0.000 0.204 163 K C 1.962 178.531 176.600 -0.052 0.000 1.051 163 K CA 0.648 56.917 56.287 -0.030 0.000 0.949 163 K CB -0.231 32.249 32.500 -0.034 0.000 0.726 163 K HN 0.294 nan 8.250 nan 0.000 0.443 164 I N -2.038 118.476 120.570 -0.093 0.000 3.228 164 I HA 0.165 4.335 4.170 0.000 0.000 0.279 164 I C -0.249 175.794 176.117 -0.124 0.000 1.221 164 I CA -0.114 61.113 61.300 -0.122 0.000 1.458 164 I CB -0.210 37.685 38.000 -0.175 0.000 1.105 164 I HN -0.140 nan 8.210 nan 0.000 0.445 165 C N 1.629 120.853 119.300 -0.127 0.000 2.285 165 C HA 0.220 4.681 4.460 0.000 0.000 0.335 165 C C 1.106 176.078 174.990 -0.030 0.000 1.267 165 C CA -0.756 58.185 59.018 -0.128 0.000 1.762 165 C CB -0.091 27.518 27.740 -0.218 0.000 2.365 165 C HN 0.741 nan 8.230 nan 0.000 0.527 166 W N 3.428 124.650 121.300 -0.130 0.000 2.453 166 W HA 0.030 4.690 4.660 0.001 0.000 0.289 166 W C 1.487 177.951 176.519 -0.092 0.000 1.215 166 W CA 1.278 58.566 57.345 -0.096 0.000 1.297 166 W CB -0.163 29.249 29.460 -0.081 0.000 1.113 166 W HN 0.683 nan 8.180 nan 0.000 0.551 167 T N -1.026 113.405 114.554 -0.205 0.000 2.910 167 T HA 0.167 4.517 4.350 0.000 0.000 0.293 167 T C 0.871 175.347 174.700 -0.373 0.000 1.015 167 T CA -0.385 61.455 62.100 -0.434 0.000 1.094 167 T CB 1.843 70.595 68.868 -0.193 0.000 0.968 167 T HN 0.139 nan 8.240 nan 0.000 0.521 168 K N 0.887 121.052 120.400 -0.392 0.000 2.148 168 K HA -0.078 4.242 4.320 0.000 0.000 0.204 168 K C 2.278 178.755 176.600 -0.207 0.000 1.050 168 K CA 1.518 57.639 56.287 -0.276 0.000 0.942 168 K CB -0.487 31.869 32.500 -0.239 0.000 0.724 168 K HN 0.842 nan 8.250 nan 0.000 0.446 169 T N 0.389 114.839 114.554 -0.173 0.000 2.652 169 T HA -0.180 4.170 4.350 0.000 0.000 0.267 169 T C 1.993 176.663 174.700 -0.050 0.000 1.039 169 T CA 1.404 63.444 62.100 -0.100 0.000 1.153 169 T CB -0.403 68.397 68.868 -0.114 0.000 0.863 169 T HN 0.271 nan 8.240 nan 0.000 0.428 170 A N 1.757 124.521 122.820 -0.093 0.000 1.898 170 A HA -0.042 4.278 4.320 0.000 0.000 0.216 170 A C 2.474 179.921 177.584 -0.228 0.000 1.181 170 A CA 1.318 53.299 52.037 -0.093 0.000 0.620 170 A CB -0.549 18.345 19.000 -0.177 0.000 0.819 170 A HN 0.419 nan 8.150 nan 0.000 0.442 171 R N -0.869 119.429 120.500 -0.336 0.000 2.083 171 R HA -0.128 4.213 4.340 0.000 0.000 0.237 171 R C 2.393 178.154 176.300 -0.897 0.000 1.137 171 R CA 1.766 57.493 56.100 -0.621 0.000 0.951 171 R CB -0.272 29.665 30.300 -0.605 0.000 0.851 171 R HN 0.340 nan 8.270 nan 0.000 0.434 172 R N -0.312 119.892 120.500 -0.492 0.000 2.081 172 R HA -0.105 4.235 4.340 0.000 0.000 0.235 172 R C 1.878 178.140 176.300 -0.063 0.000 1.131 172 R CA 1.400 57.340 56.100 -0.267 0.000 0.960 172 R CB -0.627 29.644 30.300 -0.049 0.000 0.856 172 R HN 0.172 nan 8.270 nan 0.000 0.436 173 F N 0.623 120.536 119.950 -0.063 0.000 2.102 173 F HA -0.144 4.383 4.527 0.000 0.000 0.298 173 F C 2.149 178.034 175.800 0.141 0.000 1.105 173 F CA 1.448 59.522 58.000 0.123 0.000 1.239 173 F CB -0.553 38.609 39.000 0.270 0.000 0.991 173 F HN 0.071 nan 8.300 nan 0.000 0.474 174 A N -0.077 122.782 122.820 0.064 0.000 1.873 174 A HA -0.261 4.059 4.320 0.000 0.000 0.218 174 A C 2.080 179.754 177.584 0.149 0.000 1.193 174 A CA 2.030 54.081 52.037 0.023 0.000 0.629 174 A CB -1.592 17.282 19.000 -0.210 0.000 0.826 174 A HN 0.501 nan 8.150 nan 0.000 0.447 175 Y N -0.746 119.553 120.300 -0.002 0.000 2.114 175 Y HA -0.210 4.340 4.550 0.001 0.000 0.282 175 Y C 2.314 178.204 175.900 -0.017 0.000 1.165 175 Y CA 0.945 59.028 58.100 -0.028 0.000 1.148 175 Y CB -1.464 36.984 38.460 -0.020 0.000 0.972 175 Y HN 0.311 nan 8.280 nan 0.000 0.504 176 L N -0.417 120.893 121.223 0.146 0.000 1.990 176 L HA -0.261 4.079 4.340 0.000 0.000 0.213 176 L C 2.345 179.242 176.870 0.046 0.000 1.072 176 L CA 1.704 56.565 54.840 0.036 0.000 0.755 176 L CB -1.350 40.646 42.059 -0.106 0.000 0.889 176 L HN 0.186 nan 8.230 nan 0.000 0.432 177 F N -0.848 119.018 119.950 -0.140 0.000 2.115 177 F HA -0.287 4.240 4.527 0.000 0.000 0.300 177 F C 2.205 178.102 175.800 0.163 0.000 1.092 177 F CA 2.161 60.157 58.000 -0.007 0.000 1.245 177 F CB -0.474 38.585 39.000 0.098 0.000 0.995 177 F HN -0.034 nan 8.300 nan 0.000 0.481 178 V N 0.763 120.805 119.914 0.213 0.000 2.261 178 V HA -0.374 3.746 4.120 0.000 0.000 0.246 178 V C 1.968 178.072 176.094 0.017 0.000 1.047 178 V CA 2.521 64.822 62.300 0.002 0.000 1.015 178 V CB -1.017 30.640 31.823 -0.278 0.000 0.642 178 V HN 0.411 nan 8.190 nan 0.000 0.446 179 N N -0.042 118.662 118.700 0.006 0.000 2.094 179 N HA -0.201 4.539 4.740 0.000 0.000 0.191 179 N C 1.777 177.284 175.510 -0.005 0.000 1.023 179 N CA 1.672 54.712 53.050 -0.017 0.000 0.857 179 N CB -0.261 38.233 38.487 0.013 0.000 1.013 179 N HN 0.429 nan 8.380 nan 0.000 0.426 180 I N 0.656 121.256 120.570 0.050 0.000 2.439 180 I HA -0.166 4.004 4.170 0.000 0.000 0.251 180 I C 1.594 177.808 176.117 0.162 0.000 1.139 180 I CA 0.804 62.173 61.300 0.115 0.000 1.438 180 I CB -0.095 38.023 38.000 0.196 0.000 1.085 180 I HN 0.229 nan 8.210 nan 0.000 0.427 181 N N -0.038 118.723 118.700 0.101 0.000 2.409 181 N HA 0.000 4.740 4.740 0.000 0.000 0.174 181 N C 1.278 176.906 175.510 0.197 0.000 1.037 181 N CA 1.263 54.423 53.050 0.185 0.000 0.898 181 N CB 0.968 39.470 38.487 0.026 0.000 1.010 181 N HN 0.314 nan 8.380 nan 0.000 0.445 182 V N -3.068 116.892 119.914 0.077 0.000 3.337 182 V HA 0.214 4.334 4.120 0.000 0.000 0.307 182 V C 0.471 176.500 176.094 -0.108 0.000 1.505 182 V CA 0.311 62.618 62.300 0.012 0.000 1.072 182 V CB -0.341 31.590 31.823 0.180 0.000 0.929 182 V HN 0.197 nan 8.190 nan 0.000 0.455 183 T N -0.820 113.599 114.554 -0.224 0.000 3.946 183 T HA -0.179 4.171 4.350 0.000 0.000 0.356 183 T C 0.161 174.726 174.700 -0.225 0.000 0.758 183 T CA 1.091 63.009 62.100 -0.302 0.000 1.911 183 T CB -3.035 65.499 68.868 -0.557 0.000 1.835 183 T HN 2.036 nan 8.240 nan 0.000 0.807 184 S N -1.807 113.753 115.700 -0.233 0.000 2.656 184 S HA 0.726 5.196 4.470 0.000 0.000 0.273 184 S C -1.245 173.178 174.600 -0.295 0.000 1.168 184 S CA -1.423 56.568 58.200 -0.348 0.000 0.817 184 S CB 1.606 64.351 63.200 -0.759 0.000 1.146 184 S HN 0.293 nan 8.310 nan 0.000 0.475 185 E N 1.266 121.251 120.200 -0.357 0.000 2.331 185 E HA 0.313 4.663 4.350 0.000 0.000 0.272 185 E C -1.858 174.533 176.600 -0.348 0.000 1.036 185 E CA -2.408 53.809 56.400 -0.306 0.000 0.864 185 E CB 0.516 30.028 29.700 -0.313 0.000 1.035 185 E HN 0.253 nan 8.360 nan 0.000 0.408 186 P HA -0.221 nan 4.420 nan 0.000 0.216 186 P C 1.160 178.350 177.300 -0.183 0.000 1.154 186 P CA 1.572 64.531 63.100 -0.235 0.000 0.865 186 P CB -0.084 31.470 31.700 -0.243 0.000 0.789 187 H N -0.715 118.238 119.070 -0.195 0.000 2.561 187 H HA 0.055 4.611 4.556 -0.000 0.000 0.278 187 H C 1.081 176.366 175.328 -0.071 0.000 1.014 187 H CA 0.900 56.873 56.048 -0.125 0.000 1.211 187 H CB -0.297 29.383 29.762 -0.136 0.000 1.365 187 H HN 0.247 nan 8.280 nan 0.000 0.594 188 E N 1.077 120.989 120.200 -0.481 0.000 2.364 188 E HA 0.081 4.431 4.350 0.000 0.000 0.196 188 E C 0.681 177.233 176.600 -0.081 0.000 0.990 188 E CA 0.349 56.529 56.400 -0.367 0.000 0.886 188 E CB 1.100 30.430 29.700 -0.615 0.000 0.866 188 E HN 0.361 nan 8.360 nan 0.000 0.493 189 V N -0.725 119.164 119.914 -0.042 0.000 2.581 189 V HA 0.436 4.556 4.120 0.000 0.000 0.303 189 V C -0.041 176.222 176.094 0.281 0.000 1.041 189 V CA -1.145 61.277 62.300 0.205 0.000 0.907 189 V CB 1.839 33.844 31.823 0.303 0.000 0.994 189 V HN -0.014 nan 8.190 nan 0.000 0.442 190 S N 3.642 119.592 115.700 0.417 0.000 2.533 190 S HA 0.437 4.907 4.470 0.000 0.000 0.282 190 S C 1.479 176.343 174.600 0.440 0.000 1.304 190 S CA 0.165 58.603 58.200 0.397 0.000 1.063 190 S CB 0.850 64.303 63.200 0.421 0.000 0.881 190 S HN 1.817 nan 8.310 nan 0.000 0.493 191 A N 5.194 128.189 122.820 0.291 0.000 1.908 191 A HA -0.065 4.255 4.320 0.000 0.000 0.218 191 A C 2.007 179.767 177.584 0.293 0.000 1.181 191 A CA 1.739 53.916 52.037 0.232 0.000 0.627 191 A CB -0.916 18.135 19.000 0.086 0.000 0.818 191 A HN 0.995 nan 8.150 nan 0.000 0.445 192 L N -1.415 120.029 121.223 0.369 0.000 1.970 192 L HA -0.171 4.169 4.340 0.000 0.000 0.212 192 L C 2.233 179.350 176.870 0.412 0.000 1.071 192 L CA 2.691 57.788 54.840 0.428 0.000 0.751 192 L CB -0.991 41.312 42.059 0.407 0.000 0.889 192 L HN 0.641 nan 8.230 nan 0.000 0.432 193 W N -0.485 120.959 121.300 0.240 0.000 2.338 193 W HA -0.308 4.353 4.660 0.001 0.000 0.304 193 W C 2.373 179.170 176.519 0.463 0.000 1.212 193 W CA 2.129 59.623 57.345 0.247 0.000 1.264 193 W CB -0.733 28.835 29.460 0.179 0.000 1.142 193 W HN 0.304 nan 8.180 nan 0.000 0.512 194 F N 0.552 120.567 119.950 0.109 0.000 2.146 194 F HA -0.169 4.358 4.527 0.000 0.000 0.298 194 F C 2.164 177.938 175.800 -0.044 0.000 1.096 194 F CA 2.200 60.107 58.000 -0.155 0.000 1.275 194 F CB -0.654 38.365 39.000 0.032 0.000 1.008 194 F HN -0.195 nan 8.300 nan 0.000 0.480 195 L N -1.292 120.035 121.223 0.173 0.000 2.042 195 L HA -0.241 4.099 4.340 0.000 0.000 0.210 195 L C 2.287 179.140 176.870 -0.028 0.000 1.076 195 L CA 1.872 56.742 54.840 0.050 0.000 0.749 195 L CB -1.145 40.940 42.059 0.043 0.000 0.893 195 L HN 0.424 nan 8.230 nan 0.000 0.432 196 W N 0.050 121.274 121.300 -0.127 0.000 2.354 196 W HA -0.301 4.358 4.660 -0.000 0.000 0.315 196 W C 2.692 179.036 176.519 -0.292 0.000 1.206 196 W CA 1.545 58.790 57.345 -0.167 0.000 1.290 196 W CB -0.743 28.649 29.460 -0.114 0.000 1.152 196 W HN 0.084 nan 8.180 nan 0.000 0.489 197 Y N 0.673 120.638 120.300 -0.559 0.000 2.102 197 Y HA -0.368 4.182 4.550 0.001 0.000 0.280 197 Y C 2.381 177.755 175.900 -0.875 0.000 1.178 197 Y CA 3.207 60.743 58.100 -0.939 0.000 1.146 197 Y CB -0.819 37.007 38.460 -1.058 0.000 0.968 197 Y HN -0.134 nan 8.280 nan 0.000 0.504 198 V N 0.752 120.303 119.914 -0.604 0.000 2.427 198 V HA -0.288 3.832 4.120 0.000 0.000 0.248 198 V C 2.404 178.195 176.094 -0.505 0.000 1.051 198 V CA 2.186 64.194 62.300 -0.487 0.000 1.048 198 V CB -0.672 30.964 31.823 -0.311 0.000 0.666 198 V HN 0.368 nan 8.190 nan 0.000 0.456 199 K N 1.050 121.161 120.400 -0.481 0.000 2.063 199 K HA -0.285 4.035 4.320 0.000 0.000 0.208 199 K C 2.120 178.358 176.600 -0.603 0.000 1.048 199 K CA 2.197 58.229 56.287 -0.426 0.000 0.928 199 K CB -0.100 32.214 32.500 -0.309 0.000 0.713 199 K HN 0.683 nan 8.250 nan 0.000 0.442 200 Q N -0.679 118.571 119.800 -0.918 0.000 2.482 200 Q HA -0.003 4.337 4.340 0.000 0.000 0.209 200 Q C 1.148 176.472 176.000 -1.128 0.000 0.961 200 Q CA 0.909 56.119 55.803 -0.988 0.000 0.945 200 Q CB -0.154 27.765 28.738 -1.365 0.000 1.012 200 Q HN 0.177 nan 8.270 nan 0.000 0.515 201 C N 0.125 118.685 119.300 -1.234 0.000 2.780 201 C HA 0.648 5.109 4.460 0.000 0.000 0.287 201 C C 1.471 175.682 174.990 -1.299 0.000 1.288 201 C CA 0.080 57.988 59.018 -1.850 0.000 1.713 201 C CB -0.698 26.049 27.740 -1.655 0.000 1.955 201 C HN 0.830 nan 8.230 nan 0.000 0.613 202 G N 0.192 108.546 108.800 -0.743 0.000 2.176 202 G HA2 0.286 4.246 3.960 0.000 0.000 0.232 202 G HA3 0.286 4.246 3.960 0.000 0.000 0.232 202 G C 0.459 175.225 174.900 -0.224 0.000 0.986 202 G CA 0.004 44.871 45.100 -0.389 0.000 0.643 202 G HN 1.658 nan 8.290 nan 0.000 0.522 203 G N -1.950 106.702 108.800 -0.246 0.000 2.661 203 G HA2 0.313 4.273 3.960 0.000 0.000 0.685 203 G HA3 0.313 4.273 3.960 0.000 0.000 0.685 203 G C 1.067 175.972 174.900 0.008 0.000 1.298 203 G CA 0.981 46.024 45.100 -0.096 0.000 0.855 203 G HN 1.896 nan 8.290 nan 0.000 0.560 204 T N -3.019 111.593 114.554 0.098 0.000 2.720 204 T HA -0.122 4.228 4.350 0.000 0.000 0.268 204 T C 2.310 177.202 174.700 0.320 0.000 1.037 204 T CA 3.001 65.233 62.100 0.220 0.000 1.144 204 T CB -0.683 68.202 68.868 0.028 0.000 0.864 204 T HN 0.926 nan 8.240 nan 0.000 0.444 205 T N 1.209 115.914 114.554 0.253 0.000 2.701 205 T HA 0.027 4.378 4.350 0.000 0.000 0.263 205 T C 2.113 176.937 174.700 0.207 0.000 1.040 205 T CA 1.380 63.662 62.100 0.303 0.000 1.147 205 T CB -0.344 68.644 68.868 0.199 0.000 0.865 205 T HN 0.325 nan 8.240 nan 0.000 0.426 206 R N 1.009 121.589 120.500 0.133 0.000 2.103 206 R HA 0.025 4.365 4.340 0.000 0.000 0.242 206 R C 2.185 178.601 176.300 0.193 0.000 1.142 206 R CA 1.394 57.570 56.100 0.126 0.000 0.960 206 R CB -0.872 29.468 30.300 0.066 0.000 0.858 206 R HN 0.475 nan 8.270 nan 0.000 0.439 207 I N -0.956 119.716 120.570 0.169 0.000 2.439 207 I HA -0.145 4.025 4.170 0.000 0.000 0.251 207 I C 1.260 177.535 176.117 0.263 0.000 1.139 207 I CA 0.949 62.376 61.300 0.212 0.000 1.438 207 I CB 0.043 38.105 38.000 0.103 0.000 1.085 207 I HN 0.211 nan 8.210 nan 0.000 0.427 208 F N 0.373 120.364 119.950 0.068 0.000 2.714 208 F HA 0.258 4.785 4.527 -0.000 0.000 0.294 208 F C 1.440 177.156 175.800 -0.140 0.000 1.120 208 F CA -0.225 57.748 58.000 -0.046 0.000 1.398 208 F CB 0.072 39.032 39.000 -0.067 0.000 1.120 208 F HN -0.157 nan 8.300 nan 0.000 0.589 209 S N -0.245 115.417 115.700 -0.065 0.000 2.603 209 S HA 0.282 4.752 4.470 0.000 0.000 0.268 209 S C 1.059 175.551 174.600 -0.181 0.000 1.317 209 S CA -0.491 57.624 58.200 -0.141 0.000 1.012 209 S CB 2.077 65.259 63.200 -0.030 0.000 0.926 209 S HN -0.016 nan 8.310 nan 0.000 0.539 210 V N 1.050 120.849 119.914 -0.193 0.000 2.423 210 V HA 0.019 4.139 4.120 0.000 0.000 0.233 210 V C 0.937 176.953 176.094 -0.129 0.000 1.067 210 V CA 0.809 62.990 62.300 -0.197 0.000 1.073 210 V CB -0.786 30.910 31.823 -0.211 0.000 0.715 210 V HN 0.830 nan 8.190 nan 0.000 0.485 211 T N 2.367 116.865 114.554 -0.095 0.000 2.871 211 T HA 0.067 4.417 4.350 0.000 0.000 0.296 211 T C 0.829 175.503 174.700 -0.044 0.000 0.998 211 T CA 1.054 63.118 62.100 -0.060 0.000 1.162 211 T CB -0.273 68.573 68.868 -0.037 0.000 0.947 211 T HN 0.556 nan 8.240 nan 0.000 0.536 212 N N 0.708 119.382 118.700 -0.043 0.000 2.828 212 N HA -0.148 4.592 4.740 0.000 0.000 0.248 212 N C 0.251 175.755 175.510 -0.011 0.000 1.044 212 N CA 1.522 54.557 53.050 -0.025 0.000 0.851 212 N CB -1.078 37.404 38.487 -0.009 0.000 1.136 212 N HN 0.915 nan 8.380 nan 0.000 0.572 213 G N -2.884 105.896 108.800 -0.034 0.000 3.222 213 G HA2 0.588 4.548 3.960 0.000 0.000 0.263 213 G HA3 0.588 4.548 3.960 0.000 0.000 0.263 213 G C 0.960 175.818 174.900 -0.070 0.000 1.312 213 G CA -0.023 45.077 45.100 0.001 0.000 0.934 213 G HN 0.247 nan 8.290 nan 0.000 0.577 214 G N -1.046 107.737 108.800 -0.029 0.000 2.484 214 G HA2 0.047 4.007 3.960 0.000 0.000 0.218 214 G HA3 0.047 4.007 3.960 0.000 0.000 0.218 214 G C 1.241 176.039 174.900 -0.170 0.000 1.130 214 G CA 0.759 45.741 45.100 -0.196 0.000 0.784 214 G HN 0.400 nan 8.290 nan 0.000 0.543 215 Q N -0.151 119.540 119.800 -0.181 0.000 2.280 215 Q HA 0.250 4.591 4.340 0.000 0.000 0.201 215 Q C 1.775 177.626 176.000 -0.249 0.000 0.890 215 Q CA -0.109 55.514 55.803 -0.301 0.000 0.947 215 Q CB 0.497 28.939 28.738 -0.494 0.000 1.081 215 Q HN 0.607 nan 8.270 nan 0.000 0.502 216 E N 0.615 120.702 120.200 -0.189 0.000 2.114 216 E HA -0.170 4.180 4.350 0.000 0.000 0.199 216 E C -0.038 176.459 176.600 -0.171 0.000 1.008 216 E CA 0.988 57.290 56.400 -0.164 0.000 0.810 216 E CB 0.357 29.972 29.700 -0.142 0.000 0.739 216 E HN 0.181 nan 8.360 nan 0.000 0.456 217 R N -1.052 119.332 120.500 -0.194 0.000 2.836 217 R HA 0.464 4.804 4.340 0.000 0.000 0.269 217 R C -0.962 175.117 176.300 -0.368 0.000 1.010 217 R CA -0.740 55.182 56.100 -0.296 0.000 0.930 217 R CB 1.972 32.083 30.300 -0.316 0.000 1.218 217 R HN -0.178 nan 8.270 nan 0.000 0.473 218 K N 0.540 120.559 120.400 -0.634 0.000 2.395 218 K HA 0.480 4.800 4.320 0.000 0.000 0.245 218 K C -1.163 175.077 176.600 -0.600 0.000 1.017 218 K CA -0.683 55.201 56.287 -0.673 0.000 0.852 218 K CB 1.434 33.526 32.500 -0.678 0.000 1.311 218 K HN 0.255 nan 8.250 nan 0.000 0.452 219 F N 0.941 120.835 119.950 -0.092 0.000 2.408 219 F HA 0.227 4.754 4.527 -0.000 0.000 0.344 219 F C 0.284 176.229 175.800 0.241 0.000 1.112 219 F CA -1.126 56.902 58.000 0.046 0.000 1.096 219 F CB 1.298 40.298 39.000 -0.001 0.000 1.129 219 F HN -0.008 nan 8.300 nan 0.000 0.486 220 V N 3.455 123.654 119.914 0.475 0.000 2.485 220 V HA 0.247 4.367 4.120 0.000 0.000 0.287 220 V C 0.909 176.992 176.094 -0.018 0.000 1.022 220 V CA 1.148 63.634 62.300 0.310 0.000 1.067 220 V CB 0.172 32.113 31.823 0.197 0.000 0.967 220 V HN 1.109 nan 8.190 nan 0.000 0.479 221 G N 3.412 111.907 108.800 -0.509 0.000 2.195 221 G HA2 0.125 4.085 3.960 0.000 0.000 0.246 221 G HA3 0.125 4.085 3.960 0.000 0.000 0.246 221 G C 0.808 175.337 174.900 -0.619 0.000 0.984 221 G CA -0.039 44.393 45.100 -1.113 0.000 0.633 221 G HN 2.388 nan 8.290 nan 0.000 0.525 222 G N -1.480 107.270 108.800 -0.082 0.000 2.663 222 G HA2 0.340 4.300 3.960 0.000 0.000 0.686 222 G HA3 0.340 4.300 3.960 0.000 0.000 0.686 222 G C 0.820 175.790 174.900 0.116 0.000 1.246 222 G CA 0.889 46.081 45.100 0.152 0.000 0.795 222 G HN 1.916 nan 8.290 nan 0.000 0.627 223 S N -0.343 115.476 115.700 0.199 0.000 2.496 223 S HA 0.200 4.670 4.470 0.000 0.000 0.224 223 S C 2.442 177.047 174.600 0.007 0.000 0.996 223 S CA 1.437 59.717 58.200 0.134 0.000 0.927 223 S CB 0.127 63.504 63.200 0.296 0.000 0.774 223 S HN 2.142 nan 8.310 nan 0.000 0.524 224 G N 1.503 110.342 108.800 0.065 0.000 2.448 224 G HA2 -0.146 3.814 3.960 0.000 0.000 0.219 224 G HA3 -0.146 3.814 3.960 0.000 0.000 0.219 224 G C 1.466 176.365 174.900 -0.003 0.000 1.127 224 G CA 0.563 45.710 45.100 0.078 0.000 0.766 224 G HN 0.651 nan 8.290 nan 0.000 0.552 225 Q N -0.055 119.707 119.800 -0.062 0.000 2.291 225 Q HA -0.023 4.317 4.340 0.000 0.000 0.206 225 Q C 2.674 178.587 176.000 -0.144 0.000 0.976 225 Q CA 0.784 56.525 55.803 -0.104 0.000 0.875 225 Q CB -0.166 28.485 28.738 -0.145 0.000 0.927 225 Q HN 0.405 nan 8.270 nan 0.000 0.450 226 V N 0.463 120.257 119.914 -0.201 0.000 2.255 226 V HA -0.287 3.833 4.120 0.000 0.000 0.247 226 V C 2.105 178.133 176.094 -0.111 0.000 1.051 226 V CA 2.187 64.363 62.300 -0.205 0.000 1.018 226 V CB -0.467 31.211 31.823 -0.243 0.000 0.641 226 V HN 0.314 nan 8.190 nan 0.000 0.445 227 S N -1.043 114.615 115.700 -0.069 0.000 2.395 227 S HA -0.150 4.321 4.470 0.000 0.000 0.225 227 S C 1.915 176.491 174.600 -0.041 0.000 1.027 227 S CA 1.089 59.263 58.200 -0.043 0.000 0.965 227 S CB -0.207 62.982 63.200 -0.018 0.000 0.812 227 S HN 0.636 nan 8.310 nan 0.000 0.482 228 E N 1.088 121.267 120.200 -0.035 0.000 2.097 228 E HA -0.145 4.205 4.350 0.000 0.000 0.196 228 E C 2.273 178.849 176.600 -0.039 0.000 1.000 228 E CA 1.110 57.493 56.400 -0.028 0.000 0.804 228 E CB -0.006 29.682 29.700 -0.019 0.000 0.740 228 E HN 0.345 nan 8.360 nan 0.000 0.454 229 R N -0.296 120.172 120.500 -0.054 0.000 2.161 229 R HA 0.075 4.415 4.340 0.000 0.000 0.213 229 R C 2.268 178.539 176.300 -0.049 0.000 1.055 229 R CA 0.501 56.569 56.100 -0.053 0.000 0.996 229 R CB 0.043 30.302 30.300 -0.068 0.000 0.901 229 R HN 0.204 nan 8.270 nan 0.000 0.456 230 I N 0.758 121.297 120.570 -0.052 0.000 2.353 230 I HA -0.237 3.933 4.170 0.000 0.000 0.248 230 I C 2.571 178.662 176.117 -0.043 0.000 1.119 230 I CA 1.055 62.328 61.300 -0.046 0.000 1.417 230 I CB -0.086 37.886 38.000 -0.046 0.000 1.078 230 I HN 0.197 nan 8.210 nan 0.000 0.421 231 M N 0.634 120.207 119.600 -0.044 0.000 2.213 231 M HA -0.224 4.256 4.480 0.000 0.000 0.263 231 M C 1.512 177.789 176.300 -0.038 0.000 1.062 231 M CA 1.841 57.114 55.300 -0.045 0.000 1.105 231 M CB -0.155 32.418 32.600 -0.045 0.000 1.385 231 M HN 0.134 nan 8.290 nan 0.000 0.417 232 D N 0.828 121.207 120.400 -0.034 0.000 2.097 232 D HA -0.135 4.505 4.640 0.000 0.000 0.195 232 D C 2.007 178.291 176.300 -0.026 0.000 0.989 232 D CA 1.384 55.367 54.000 -0.028 0.000 0.827 232 D CB -0.486 40.297 40.800 -0.028 0.000 0.966 232 D HN 0.398 nan 8.370 nan 0.000 0.456 233 L N 0.201 121.407 121.223 -0.028 0.000 2.127 233 L HA -0.147 4.193 4.340 0.000 0.000 0.211 233 L C 2.300 179.157 176.870 -0.022 0.000 1.089 233 L CA 0.700 55.525 54.840 -0.024 0.000 0.757 233 L CB -0.234 41.810 42.059 -0.026 0.000 0.899 233 L HN 0.063 nan 8.230 nan 0.000 0.434 234 L N -1.469 119.738 121.223 -0.028 0.000 2.446 234 L HA 0.149 4.489 4.340 0.000 0.000 0.219 234 L C 1.806 178.661 176.870 -0.026 0.000 1.116 234 L CA 0.398 55.220 54.840 -0.030 0.000 0.844 234 L CB -0.682 41.348 42.059 -0.047 0.000 0.970 234 L HN 0.428 nan 8.230 nan 0.000 0.457 235 G N 2.243 111.028 108.800 -0.025 0.000 2.634 235 G HA2 -0.467 3.493 3.960 0.000 0.000 0.318 235 G HA3 -0.467 3.493 3.960 0.000 0.000 0.318 235 G C 0.436 175.320 174.900 -0.026 0.000 1.207 235 G CA 0.778 45.868 45.100 -0.018 0.000 0.987 235 G HN 0.554 nan 8.290 nan 0.000 0.547 236 D N 0.317 120.710 120.400 -0.011 0.000 2.328 236 D HA 0.208 4.848 4.640 0.000 0.000 0.221 236 D C 1.764 178.045 176.300 -0.031 0.000 1.072 236 D CA 0.720 54.712 54.000 -0.015 0.000 0.850 236 D CB 0.129 40.939 40.800 0.016 0.000 0.922 236 D HN 0.372 nan 8.370 nan 0.000 0.516 237 Q N 0.184 119.960 119.800 -0.041 0.000 2.403 237 Q HA 0.170 4.510 4.340 0.000 0.000 0.203 237 Q C -0.075 175.815 176.000 -0.183 0.000 0.932 237 Q CA 0.086 55.834 55.803 -0.092 0.000 0.945 237 Q CB 0.903 29.619 28.738 -0.036 0.000 1.045 237 Q HN 0.242 nan 8.270 nan 0.000 0.511 238 V N 1.194 121.015 119.914 -0.156 0.000 2.448 238 V HA 0.344 4.464 4.120 0.000 0.000 0.295 238 V C -0.156 175.816 176.094 -0.202 0.000 1.025 238 V CA -0.725 61.466 62.300 -0.183 0.000 0.859 238 V CB 2.082 33.830 31.823 -0.126 0.000 0.988 238 V HN -0.056 nan 8.190 nan 0.000 0.431 239 K N 5.299 125.528 120.400 -0.285 0.000 2.394 239 K HA 0.619 4.939 4.320 0.000 0.000 0.260 239 K C -0.878 175.608 176.600 -0.189 0.000 0.967 239 K CA -0.522 55.568 56.287 -0.328 0.000 0.855 239 K CB 1.820 33.882 32.500 -0.730 0.000 1.101 239 K HN 0.508 nan 8.250 nan 0.000 0.433 240 L N 2.094 123.279 121.223 -0.064 0.000 2.475 240 L HA 0.172 4.512 4.340 0.000 0.000 0.253 240 L C 0.687 177.622 176.870 0.108 0.000 1.198 240 L CA -0.567 54.264 54.840 -0.015 0.000 0.814 240 L CB 0.181 42.223 42.059 -0.027 0.000 1.134 240 L HN 0.739 nan 8.230 nan 0.000 0.478 241 N N 0.468 119.165 118.700 -0.005 0.000 2.721 241 N HA -0.226 4.514 4.740 0.000 0.000 0.249 241 N C -0.331 175.125 175.510 -0.090 0.000 1.072 241 N CA 0.771 53.789 53.050 -0.052 0.000 0.710 241 N CB -1.352 37.109 38.487 -0.043 0.000 0.993 241 N HN 0.655 nan 8.380 nan 0.000 0.547 242 H N -0.874 118.103 119.070 -0.155 0.000 2.348 242 H HA 0.209 4.765 4.556 0.000 0.000 0.232 242 H C -2.405 172.832 175.328 -0.151 0.000 1.419 242 H CA -1.285 54.685 56.048 -0.130 0.000 1.416 242 H CB 1.079 30.758 29.762 -0.138 0.000 1.510 242 H HN 0.077 nan 8.280 nan 0.000 0.507 243 P HA -0.024 nan 4.420 nan 0.000 0.271 243 P C 0.387 177.664 177.300 -0.037 0.000 1.233 243 P CA -0.083 62.955 63.100 -0.102 0.000 0.764 243 P CB 1.138 32.812 31.700 -0.044 0.000 0.825 244 V N 3.952 123.847 119.914 -0.033 0.000 2.614 244 V HA 0.128 4.248 4.120 0.000 0.000 0.291 244 V C 1.547 177.609 176.094 -0.054 0.000 1.049 244 V CA 0.920 63.205 62.300 -0.025 0.000 1.038 244 V CB 0.735 32.533 31.823 -0.042 0.000 0.980 244 V HN 0.755 nan 8.190 nan 0.000 0.481 245 T N -0.010 114.521 114.554 -0.037 0.000 2.980 245 T HA 0.253 4.603 4.350 0.000 0.000 0.252 245 T C 0.419 174.918 174.700 -0.335 0.000 0.962 245 T CA 0.048 62.069 62.100 -0.130 0.000 0.932 245 T CB 0.241 69.130 68.868 0.034 0.000 1.188 245 T HN 0.638 nan 8.240 nan 0.000 0.500 246 H N 0.104 119.148 119.070 -0.043 0.000 2.806 246 H HA 0.675 5.231 4.556 -0.000 0.000 0.367 246 H C -1.653 173.621 175.328 -0.090 0.000 1.136 246 H CA -0.637 55.387 56.048 -0.040 0.000 1.178 246 H CB 2.727 32.527 29.762 0.063 0.000 1.718 246 H HN 0.023 nan 8.280 nan 0.000 0.540 247 V N 2.824 122.705 119.914 -0.055 0.000 2.524 247 V HA 0.103 4.223 4.120 0.000 0.000 0.297 247 V C -0.568 175.613 176.094 0.143 0.000 1.035 247 V CA -0.655 61.652 62.300 0.013 0.000 0.867 247 V CB 2.010 33.788 31.823 -0.074 0.000 1.004 247 V HN 0.685 nan 8.190 nan 0.000 0.426 248 D N 4.282 124.770 120.400 0.148 0.000 2.469 248 D HA 0.306 4.946 4.640 0.000 0.000 0.251 248 D C 0.412 176.779 176.300 0.111 0.000 1.173 248 D CA -0.385 53.697 54.000 0.137 0.000 0.882 248 D CB 2.010 42.876 40.800 0.110 0.000 1.129 248 D HN 0.710 nan 8.370 nan 0.000 0.549 249 Q N 1.735 121.601 119.800 0.109 0.000 2.201 249 Q HA 0.227 4.567 4.340 0.000 0.000 0.236 249 Q C 0.396 176.422 176.000 0.044 0.000 0.857 249 Q CA -0.383 55.460 55.803 0.067 0.000 1.025 249 Q CB 0.430 29.201 28.738 0.056 0.000 1.124 249 Q HN 0.081 nan 8.270 nan 0.000 0.473 250 S N 0.587 116.315 115.700 0.048 0.000 2.383 250 S HA -0.080 4.390 4.470 0.000 0.000 0.229 250 S C 0.763 175.374 174.600 0.019 0.000 1.030 250 S CA 1.089 59.309 58.200 0.032 0.000 1.002 250 S CB 0.029 63.248 63.200 0.032 0.000 0.829 250 S HN 0.526 nan 8.310 nan 0.000 0.467 251 S N 1.192 116.902 115.700 0.017 0.000 2.718 251 S HA 0.342 4.812 4.470 0.000 0.000 0.300 251 S C 0.308 174.908 174.600 -0.000 0.000 1.117 251 S CA -0.831 57.373 58.200 0.008 0.000 1.002 251 S CB 0.918 64.124 63.200 0.008 0.000 1.092 251 S HN 0.031 nan 8.310 nan 0.000 0.542 252 D N 1.385 121.781 120.400 -0.007 0.000 2.158 252 D HA -0.080 4.560 4.640 0.000 0.000 0.197 252 D C -0.037 176.251 176.300 -0.019 0.000 0.995 252 D CA 1.322 55.309 54.000 -0.021 0.000 0.846 252 D CB -0.245 40.545 40.800 -0.016 0.000 0.941 252 D HN 0.350 nan 8.370 nan 0.000 0.456 253 N N 1.081 119.782 118.700 0.002 0.000 2.415 253 N HA 0.147 4.887 4.740 0.000 0.000 0.246 253 N C -0.024 175.507 175.510 0.035 0.000 1.078 253 N CA -0.108 52.954 53.050 0.021 0.000 0.942 253 N CB 0.874 39.381 38.487 0.033 0.000 1.140 253 N HN 0.166 nan 8.380 nan 0.000 0.501 254 I N 2.785 123.378 120.570 0.039 0.000 2.683 254 I HA 0.015 4.185 4.170 0.000 0.000 0.286 254 I C 0.647 176.824 176.117 0.101 0.000 1.175 254 I CA 0.212 61.551 61.300 0.066 0.000 1.429 254 I CB 0.307 38.346 38.000 0.065 0.000 1.371 254 I HN 0.233 nan 8.210 nan 0.000 0.569 255 I N 7.062 127.696 120.570 0.107 0.000 2.336 255 I HA 0.307 4.477 4.170 0.000 0.000 0.292 255 I C -0.218 176.000 176.117 0.168 0.000 0.991 255 I CA -0.498 60.885 61.300 0.138 0.000 1.227 255 I CB 1.183 39.248 38.000 0.109 0.000 1.366 255 I HN 0.316 nan 8.210 nan 0.000 0.466 256 I N 5.898 126.591 120.570 0.205 0.000 2.441 256 I HA 0.398 4.568 4.170 0.000 0.000 0.295 256 I C -0.048 176.191 176.117 0.203 0.000 0.994 256 I CA -0.586 60.829 61.300 0.192 0.000 1.144 256 I CB 1.493 39.600 38.000 0.179 0.000 1.314 256 I HN 0.640 nan 8.210 nan 0.000 0.445 257 E N 3.954 124.253 120.200 0.165 0.000 2.199 257 E HA 0.533 4.883 4.350 0.000 0.000 0.269 257 E C -0.790 175.853 176.600 0.072 0.000 0.899 257 E CA -0.424 56.011 56.400 0.059 0.000 0.772 257 E CB 1.868 31.608 29.700 0.067 0.000 1.155 257 E HN 0.743 nan 8.360 nan 0.000 0.408 258 T N 0.891 115.441 114.554 -0.007 0.000 2.936 258 T HA 0.197 4.547 4.350 0.000 0.000 0.282 258 T C 1.051 175.675 174.700 -0.127 0.000 1.003 258 T CA -0.828 61.267 62.100 -0.009 0.000 1.005 258 T CB 1.064 69.976 68.868 0.073 0.000 1.097 258 T HN 0.437 nan 8.240 nan 0.000 0.532 259 L N 1.268 122.405 121.223 -0.143 0.000 2.187 259 L HA -0.033 4.307 4.340 0.000 0.000 0.213 259 L C 1.736 178.349 176.870 -0.429 0.000 1.100 259 L CA 1.919 56.638 54.840 -0.202 0.000 0.765 259 L CB -1.010 40.981 42.059 -0.112 0.000 0.904 259 L HN 0.900 nan 8.230 nan 0.000 0.437 260 N N -2.623 115.845 118.700 -0.387 0.000 2.295 260 N HA -0.050 4.690 4.740 0.000 0.000 0.221 260 N C -0.307 175.003 175.510 -0.333 0.000 1.129 260 N CA 0.159 52.983 53.050 -0.377 0.000 0.836 260 N CB -0.373 37.983 38.487 -0.218 0.000 1.040 260 N HN 0.481 nan 8.380 nan 0.000 0.494 261 H N -1.258 117.745 119.070 -0.112 0.000 2.820 261 H HA -0.150 4.406 4.556 -0.000 0.000 0.295 261 H C -0.783 174.332 175.328 -0.356 0.000 1.187 261 H CA 0.713 56.637 56.048 -0.206 0.000 1.144 261 H CB -1.940 27.780 29.762 -0.070 0.000 1.354 261 H HN 0.583 nan 8.280 nan 0.000 0.395 262 E N 1.264 121.314 120.200 -0.251 0.000 2.343 262 E HA 0.248 4.598 4.350 0.000 0.000 0.269 262 E C 0.218 176.436 176.600 -0.637 0.000 1.047 262 E CA -0.430 55.790 56.400 -0.301 0.000 0.874 262 E CB 0.776 30.430 29.700 -0.076 0.000 1.033 262 E HN 0.339 nan 8.360 nan 0.000 0.409 263 H N 1.676 120.530 119.070 -0.360 0.000 2.572 263 H HA 0.337 4.893 4.556 0.000 0.000 0.359 263 H C -1.070 173.854 175.328 -0.673 0.000 1.134 263 H CA -0.542 55.323 56.048 -0.305 0.000 1.187 263 H CB 0.959 30.668 29.762 -0.089 0.000 1.597 263 H HN 0.469 nan 8.280 nan 0.000 0.524 264 Y N 0.272 120.671 120.300 0.166 0.000 2.477 264 Y HA 0.282 4.832 4.550 -0.000 0.000 0.347 264 Y C 0.175 176.183 175.900 0.180 0.000 0.981 264 Y CA -0.788 57.399 58.100 0.145 0.000 1.033 264 Y CB 2.108 40.581 38.460 0.022 0.000 1.245 264 Y HN 0.510 nan 8.280 nan 0.000 0.455 265 E N 1.918 122.331 120.200 0.354 0.000 2.256 265 E HA 0.767 5.117 4.350 0.000 0.000 0.267 265 E C -1.133 175.636 176.600 0.281 0.000 0.892 265 E CA -0.788 55.762 56.400 0.249 0.000 0.775 265 E CB 2.040 31.839 29.700 0.166 0.000 1.207 265 E HN 0.782 nan 8.360 nan 0.000 0.420 266 C N 0.087 119.506 119.300 0.199 0.000 3.293 266 C HA 0.525 4.985 4.460 0.000 0.000 0.362 266 C C 0.486 175.538 174.990 0.104 0.000 1.539 266 C CA -0.683 58.452 59.018 0.194 0.000 1.201 266 C CB 1.173 29.037 27.740 0.207 0.000 1.770 266 C HN 0.767 nan 8.230 nan 0.000 0.440 267 K N -1.339 119.118 120.400 0.094 0.000 2.365 267 K HA 0.461 4.781 4.320 0.000 0.000 0.195 267 K C -0.829 175.597 176.600 -0.291 0.000 1.079 267 K CA 0.785 57.025 56.287 -0.078 0.000 0.979 267 K CB 0.200 32.706 32.500 0.010 0.000 0.929 267 K HN 0.682 nan 8.250 nan 0.000 0.523 268 Y N -1.252 119.113 120.300 0.108 0.000 2.534 268 Y HA 0.486 5.036 4.550 -0.000 0.000 0.345 268 Y C -0.974 174.989 175.900 0.105 0.000 1.031 268 Y CA -1.253 56.929 58.100 0.138 0.000 1.022 268 Y CB 2.050 40.582 38.460 0.119 0.000 1.292 268 Y HN -0.463 nan 8.280 nan 0.000 0.459 269 V N 4.184 124.263 119.914 0.275 0.000 2.604 269 V HA 0.488 4.608 4.120 0.000 0.000 0.305 269 V C -0.585 175.580 176.094 0.119 0.000 1.043 269 V CA -0.851 61.530 62.300 0.135 0.000 0.888 269 V CB 2.021 33.892 31.823 0.080 0.000 0.995 269 V HN 0.558 nan 8.190 nan 0.000 0.429 270 I N 3.707 124.301 120.570 0.040 0.000 2.330 270 I HA 0.359 4.529 4.170 0.000 0.000 0.289 270 I C -0.029 176.048 176.117 -0.066 0.000 1.001 270 I CA -0.334 60.960 61.300 -0.009 0.000 1.193 270 I CB 1.383 39.381 38.000 -0.003 0.000 1.345 270 I HN 0.642 nan 8.210 nan 0.000 0.461 271 N N 5.190 123.788 118.700 -0.171 0.000 2.420 271 N HA 0.473 5.213 4.740 0.000 0.000 0.249 271 N C -0.038 175.495 175.510 0.038 0.000 1.033 271 N CA -0.164 52.837 53.050 -0.082 0.000 0.944 271 N CB 1.066 39.447 38.487 -0.177 0.000 1.113 271 N HN 0.736 nan 8.380 nan 0.000 0.502 272 A N 4.698 127.550 122.820 0.053 0.000 2.749 272 A HA 0.292 4.612 4.320 0.000 0.000 0.299 272 A C -0.083 177.552 177.584 0.085 0.000 1.105 272 A CA -0.571 51.510 52.037 0.073 0.000 0.987 272 A CB -0.629 18.393 19.000 0.035 0.000 1.180 272 A HN 0.727 nan 8.150 nan 0.000 0.528 273 I N -3.230 117.407 120.570 0.112 0.000 2.740 273 I HA 0.695 4.866 4.170 0.000 0.000 0.303 273 I C -2.815 173.381 176.117 0.132 0.000 1.044 273 I CA -3.014 58.354 61.300 0.113 0.000 1.064 273 I CB 2.217 40.278 38.000 0.103 0.000 1.249 273 I HN -0.121 nan 8.210 nan 0.000 0.433 274 P HA 0.191 nan 4.420 nan 0.000 0.269 274 P C -2.282 175.058 177.300 0.067 0.000 1.215 274 P CA -1.138 62.018 63.100 0.094 0.000 0.780 274 P CB -0.166 31.580 31.700 0.077 0.000 0.898 275 P HA -0.184 nan 4.420 nan 0.000 0.216 275 P C 1.726 179.001 177.300 -0.042 0.000 1.150 275 P CA 1.967 65.053 63.100 -0.024 0.000 0.843 275 P CB -0.386 31.244 31.700 -0.115 0.000 0.787 276 T N -1.497 113.022 114.554 -0.060 0.000 2.867 276 T HA -0.057 4.293 4.350 0.000 0.000 0.268 276 T C 1.540 176.218 174.700 -0.035 0.000 1.057 276 T CA 0.983 63.040 62.100 -0.071 0.000 1.136 276 T CB -0.624 68.193 68.868 -0.085 0.000 0.874 276 T HN -0.028 nan 8.240 nan 0.000 0.466 277 L N 0.109 121.335 121.223 0.005 0.000 2.307 277 L HA 0.074 4.414 4.340 0.000 0.000 0.211 277 L C 2.822 179.716 176.870 0.040 0.000 1.099 277 L CA 0.878 55.732 54.840 0.023 0.000 0.816 277 L CB -0.670 41.430 42.059 0.069 0.000 0.952 277 L HN 0.211 nan 8.230 nan 0.000 0.455 278 T N 0.508 115.111 114.554 0.083 0.000 2.821 278 T HA -0.126 4.224 4.350 0.000 0.000 0.267 278 T C 2.078 176.865 174.700 0.144 0.000 1.046 278 T CA 1.194 63.401 62.100 0.177 0.000 1.139 278 T CB -0.190 68.820 68.868 0.236 0.000 0.871 278 T HN 0.407 nan 8.240 nan 0.000 0.454 279 A N 1.667 124.511 122.820 0.039 0.000 2.084 279 A HA -0.161 4.159 4.320 0.000 0.000 0.221 279 A C 2.158 179.707 177.584 -0.059 0.000 1.161 279 A CA 1.451 53.480 52.037 -0.014 0.000 0.653 279 A CB -0.409 18.553 19.000 -0.064 0.000 0.802 279 A HN 0.504 nan 8.150 nan 0.000 0.457 280 K N -0.891 119.455 120.400 -0.090 0.000 2.352 280 K HA 0.283 4.603 4.320 0.000 0.000 0.194 280 K C -0.003 176.371 176.600 -0.377 0.000 1.038 280 K CA -0.101 56.067 56.287 -0.199 0.000 1.023 280 K CB 0.222 32.635 32.500 -0.145 0.000 0.840 280 K HN 0.444 nan 8.250 nan 0.000 0.519 281 I N 2.790 123.174 120.570 -0.309 0.000 2.648 281 I HA -0.054 4.116 4.170 0.000 0.000 0.284 281 I C 0.263 176.007 176.117 -0.623 0.000 1.153 281 I CA -0.102 60.881 61.300 -0.529 0.000 1.426 281 I CB 0.371 37.989 38.000 -0.636 0.000 1.381 281 I HN 0.143 nan 8.210 nan 0.000 0.571 282 H N 6.936 125.724 119.070 -0.470 0.000 2.934 282 H HA 0.227 4.783 4.556 -0.000 0.000 0.273 282 H C -0.601 174.564 175.328 -0.271 0.000 1.121 282 H CA -0.063 55.806 56.048 -0.299 0.000 1.451 282 H CB 0.095 29.639 29.762 -0.362 0.000 1.469 282 H HN 0.275 nan 8.280 nan 0.000 0.476 283 F N 2.336 122.341 119.950 0.092 0.000 2.399 283 F HA 0.398 4.925 4.527 -0.000 0.000 0.334 283 F C 0.894 176.753 175.800 0.098 0.000 1.097 283 F CA -0.360 57.693 58.000 0.088 0.000 1.076 283 F CB 1.248 40.286 39.000 0.062 0.000 1.162 283 F HN 0.264 nan 8.300 nan 0.000 0.495 284 R N 4.016 124.707 120.500 0.317 0.000 2.533 284 R HA 0.390 4.730 4.340 0.000 0.000 0.288 284 R C -2.832 173.566 176.300 0.163 0.000 1.039 284 R CA -2.047 54.172 56.100 0.198 0.000 0.909 284 R CB 2.117 32.511 30.300 0.156 0.000 1.195 284 R HN 0.252 nan 8.270 nan 0.000 0.438 285 P HA -0.073 nan 4.420 nan 0.000 0.269 285 P C -0.731 176.642 177.300 0.122 0.000 1.211 285 P CA 0.137 63.294 63.100 0.095 0.000 0.781 285 P CB 0.511 32.243 31.700 0.054 0.000 0.877 286 E N 0.280 120.544 120.200 0.107 0.000 2.534 286 E HA -0.031 4.319 4.350 0.000 0.000 0.264 286 E C 0.129 176.747 176.600 0.029 0.000 0.981 286 E CA 0.045 56.506 56.400 0.102 0.000 0.948 286 E CB 0.012 29.753 29.700 0.068 0.000 0.934 286 E HN 0.300 nan 8.360 nan 0.000 0.459 287 L N 4.023 125.233 121.223 -0.022 0.000 2.473 287 L HA 0.153 4.493 4.340 0.000 0.000 0.268 287 L C -1.899 174.917 176.870 -0.089 0.000 1.215 287 L CA -1.899 52.865 54.840 -0.127 0.000 0.823 287 L CB -0.370 41.541 42.059 -0.247 0.000 1.099 287 L HN 0.320 nan 8.230 nan 0.000 0.483 288 P HA -0.043 nan 4.420 nan 0.000 0.264 288 P C 0.232 177.478 177.300 -0.090 0.000 1.183 288 P CA 0.152 63.204 63.100 -0.080 0.000 0.763 288 P CB 0.775 32.423 31.700 -0.087 0.000 0.807 289 A N 3.637 126.418 122.820 -0.066 0.000 1.915 289 A HA -0.320 4.000 4.320 0.000 0.000 0.220 289 A C 2.137 179.653 177.584 -0.113 0.000 1.198 289 A CA 2.249 54.240 52.037 -0.077 0.000 0.647 289 A CB -1.328 17.646 19.000 -0.043 0.000 0.825 289 A HN 0.691 nan 8.150 nan 0.000 0.456 290 E N -0.951 119.208 120.200 -0.068 0.000 2.065 290 E HA -0.332 4.018 4.350 0.000 0.000 0.201 290 E C 2.277 178.786 176.600 -0.153 0.000 1.016 290 E CA 1.880 58.258 56.400 -0.035 0.000 0.818 290 E CB -0.128 29.569 29.700 -0.006 0.000 0.749 290 E HN 0.437 nan 8.360 nan 0.000 0.453 291 R N 0.901 121.296 120.500 -0.175 0.000 2.075 291 R HA -0.117 4.223 4.340 0.000 0.000 0.232 291 R C 1.955 178.102 176.300 -0.254 0.000 1.126 291 R CA 1.884 57.841 56.100 -0.238 0.000 0.963 291 R CB -0.857 29.278 30.300 -0.274 0.000 0.858 291 R HN 0.189 nan 8.270 nan 0.000 0.435 292 N N -0.206 118.365 118.700 -0.215 0.000 2.149 292 N HA -0.156 4.584 4.740 0.000 0.000 0.188 292 N C 1.421 176.770 175.510 -0.269 0.000 1.019 292 N CA 1.314 54.250 53.050 -0.191 0.000 0.857 292 N CB -0.022 38.388 38.487 -0.129 0.000 0.997 292 N HN 0.225 nan 8.380 nan 0.000 0.426 293 Q N -0.110 119.445 119.800 -0.407 0.000 2.079 293 Q HA -0.063 4.277 4.340 0.000 0.000 0.200 293 Q C 2.035 177.657 176.000 -0.630 0.000 0.974 293 Q CA 0.632 56.046 55.803 -0.648 0.000 0.840 293 Q CB -0.623 27.341 28.738 -1.290 0.000 0.898 293 Q HN 0.409 nan 8.270 nan 0.000 0.430 294 L N 1.316 122.225 121.223 -0.524 0.000 1.994 294 L HA -0.120 4.220 4.340 0.000 0.000 0.208 294 L C 2.223 178.909 176.870 -0.306 0.000 1.071 294 L CA 1.512 56.157 54.840 -0.325 0.000 0.745 294 L CB -0.738 41.211 42.059 -0.183 0.000 0.892 294 L HN 0.319 nan 8.230 nan 0.000 0.431 295 I N -2.793 117.617 120.570 -0.267 0.000 2.454 295 I HA -0.247 3.923 4.170 0.000 0.000 0.254 295 I C 1.871 177.866 176.117 -0.204 0.000 1.156 295 I CA 1.388 62.560 61.300 -0.215 0.000 1.433 295 I CB -0.741 37.167 38.000 -0.154 0.000 1.082 295 I HN 0.413 nan 8.210 nan 0.000 0.432 296 Q N 0.898 120.571 119.800 -0.212 0.000 2.451 296 Q HA 0.081 4.421 4.340 0.000 0.000 0.206 296 Q C 1.476 177.347 176.000 -0.216 0.000 0.947 296 Q CA 0.384 56.075 55.803 -0.188 0.000 0.937 296 Q CB 0.220 28.857 28.738 -0.169 0.000 1.025 296 Q HN 0.552 nan 8.270 nan 0.000 0.511 297 R N 0.020 120.360 120.500 -0.267 0.000 2.468 297 R HA 0.246 4.586 4.340 0.000 0.000 0.280 297 R C -0.356 175.713 176.300 -0.385 0.000 0.963 297 R CA -0.065 55.873 56.100 -0.270 0.000 1.083 297 R CB 0.659 30.833 30.300 -0.210 0.000 1.200 297 R HN 0.044 nan 8.270 nan 0.000 0.541 298 L N 2.506 123.464 121.223 -0.442 0.000 2.335 298 L HA 0.415 4.755 4.340 0.000 0.000 0.268 298 L C -2.369 174.168 176.870 -0.555 0.000 1.037 298 L CA -2.096 52.380 54.840 -0.606 0.000 0.895 298 L CB 1.063 42.735 42.059 -0.645 0.000 1.266 298 L HN -0.214 nan 8.230 nan 0.000 0.439 299 P HA 0.223 nan 4.420 nan 0.000 0.277 299 P C -0.391 176.565 177.300 -0.573 0.000 1.240 299 P CA -0.522 62.218 63.100 -0.600 0.000 0.798 299 P CB 0.656 31.989 31.700 -0.611 0.000 0.979 300 M N 1.191 120.663 119.600 -0.213 0.000 2.235 300 M HA 0.279 4.759 4.480 0.000 0.000 0.351 300 M C 1.264 177.642 176.300 0.130 0.000 1.178 300 M CA -0.171 55.106 55.300 -0.039 0.000 1.143 300 M CB 0.187 32.789 32.600 0.002 0.000 1.530 300 M HN 0.462 nan 8.290 nan 0.000 0.461 301 G N 1.862 110.778 108.800 0.195 0.000 2.744 301 G HA2 0.434 4.394 3.960 0.000 0.000 0.257 301 G HA3 0.434 4.394 3.960 0.000 0.000 0.257 301 G C -0.838 174.069 174.900 0.011 0.000 1.244 301 G CA -0.295 44.869 45.100 0.107 0.000 0.916 301 G HN 0.894 nan 8.290 nan 0.000 0.564 302 A N -1.224 121.558 122.820 -0.062 0.000 2.359 302 A HA 0.651 4.971 4.320 0.000 0.000 0.303 302 A C -0.934 176.608 177.584 -0.071 0.000 1.066 302 A CA -0.507 51.514 52.037 -0.027 0.000 0.730 302 A CB 2.012 21.015 19.000 0.004 0.000 1.211 302 A HN 1.776 nan 8.150 nan 0.000 0.439 303 V N 3.856 123.774 119.914 0.007 0.000 2.888 303 V HA 0.693 4.813 4.120 0.000 0.000 0.309 303 V C -1.554 174.672 176.094 0.219 0.000 1.114 303 V CA -0.692 61.631 62.300 0.040 0.000 0.940 303 V CB 1.860 33.599 31.823 -0.140 0.000 1.021 303 V HN 0.750 nan 8.190 nan 0.000 0.426 304 I N 5.776 126.484 120.570 0.230 0.000 2.355 304 I HA 0.495 4.665 4.170 0.000 0.000 0.288 304 I C -0.125 176.206 176.117 0.358 0.000 0.999 304 I CA -0.505 60.952 61.300 0.260 0.000 1.163 304 I CB 1.562 39.665 38.000 0.172 0.000 1.316 304 I HN 0.548 nan 8.210 nan 0.000 0.454 305 K N 5.796 126.455 120.400 0.431 0.000 2.201 305 K HA 0.593 4.913 4.320 0.000 0.000 0.278 305 K C -1.409 175.303 176.600 0.188 0.000 1.027 305 K CA -0.289 56.266 56.287 0.446 0.000 0.909 305 K CB 1.002 33.853 32.500 0.584 0.000 1.062 305 K HN 0.665 nan 8.250 nan 0.000 0.465 306 C N 4.801 124.161 119.300 0.099 0.000 2.431 306 C HA 0.509 4.969 4.460 0.000 0.000 0.321 306 C C -0.995 173.960 174.990 -0.059 0.000 1.202 306 C CA -0.953 58.056 59.018 -0.014 0.000 1.398 306 C CB 0.816 28.658 27.740 0.170 0.000 2.047 306 C HN 0.813 nan 8.230 nan 0.000 0.465 307 M N 3.903 123.383 119.600 -0.200 0.000 2.134 307 M HA 0.520 5.000 4.480 0.000 0.000 0.310 307 M C -0.496 175.743 176.300 -0.103 0.000 0.966 307 M CA -0.259 54.949 55.300 -0.153 0.000 0.922 307 M CB 1.367 33.907 32.600 -0.100 0.000 1.537 307 M HN 0.537 nan 8.290 nan 0.000 0.424 308 M N 3.973 123.528 119.600 -0.075 0.000 2.088 308 M HA 0.473 4.953 4.480 0.000 0.000 0.346 308 M C -1.828 174.316 176.300 -0.260 0.000 1.111 308 M CA -0.223 55.088 55.300 0.019 0.000 1.017 308 M CB 0.597 33.349 32.600 0.253 0.000 1.568 308 M HN 0.522 nan 8.290 nan 0.000 0.445 309 Y N 4.090 124.335 120.300 -0.090 0.000 2.361 309 Y HA 0.584 5.134 4.550 -0.000 0.000 0.332 309 Y C -0.899 174.869 175.900 -0.221 0.000 1.101 309 Y CA -0.092 58.004 58.100 -0.006 0.000 1.137 309 Y CB 1.134 39.660 38.460 0.110 0.000 1.207 309 Y HN 0.586 nan 8.280 nan 0.000 0.463 310 Y N 0.059 120.619 120.300 0.434 0.000 2.634 310 Y HA 0.329 4.880 4.550 0.000 0.000 0.340 310 Y C 0.924 176.989 175.900 0.275 0.000 1.058 310 Y CA -1.406 56.925 58.100 0.384 0.000 1.081 310 Y CB 1.666 40.433 38.460 0.513 0.000 1.295 310 Y HN 0.408 nan 8.280 nan 0.000 0.487 311 K N 0.399 121.036 120.400 0.394 0.000 2.103 311 K HA 0.007 4.327 4.320 0.000 0.000 0.204 311 K C -0.439 176.254 176.600 0.156 0.000 1.052 311 K CA 1.239 57.659 56.287 0.221 0.000 0.945 311 K CB 0.196 32.792 32.500 0.159 0.000 0.722 311 K HN 0.627 nan 8.250 nan 0.000 0.443 312 E N -0.558 119.735 120.200 0.154 0.000 2.340 312 E HA 0.363 4.714 4.350 0.000 0.000 0.273 312 E C -1.539 174.916 176.600 -0.242 0.000 0.891 312 E CA -0.558 55.834 56.400 -0.014 0.000 0.757 312 E CB 2.093 31.787 29.700 -0.010 0.000 1.231 312 E HN 0.100 nan 8.360 nan 0.000 0.439 313 A N 2.913 125.397 122.820 -0.560 0.000 3.037 313 A HA 0.125 4.445 4.320 0.000 0.000 0.272 313 A C 0.676 177.369 177.584 -1.485 0.000 1.723 313 A CA -0.113 51.007 52.037 -1.527 0.000 1.413 313 A CB -1.306 17.090 19.000 -1.008 0.000 1.112 313 A HN 0.643 nan 8.150 nan 0.000 0.606 314 F N -0.829 118.508 119.950 -1.023 0.000 2.333 314 F HA -0.099 4.428 4.527 -0.000 0.000 0.300 314 F C 1.497 177.099 175.800 -0.331 0.000 1.083 314 F CA 0.552 58.264 58.000 -0.480 0.000 1.395 314 F CB -0.972 37.879 39.000 -0.250 0.000 1.056 314 F HN 0.654 nan 8.300 nan 0.000 0.529 315 W N 1.700 122.596 121.300 -0.674 0.000 2.342 315 W HA -0.021 4.640 4.660 0.000 0.000 0.297 315 W C 1.874 178.304 176.519 -0.150 0.000 1.213 315 W CA 1.163 58.310 57.345 -0.329 0.000 1.251 315 W CB -1.018 28.202 29.460 -0.401 0.000 1.136 315 W HN -0.114 nan 8.180 nan 0.000 0.526 316 K N 1.621 121.818 120.400 -0.338 0.000 2.026 316 K HA -0.192 4.128 4.320 0.000 0.000 0.208 316 K C 2.091 178.595 176.600 -0.160 0.000 1.048 316 K CA 2.181 58.360 56.287 -0.179 0.000 0.929 316 K CB -0.547 31.797 32.500 -0.260 0.000 0.713 316 K HN 0.393 nan 8.250 nan 0.000 0.439 317 K N 1.375 121.667 120.400 -0.181 0.000 2.211 317 K HA -0.099 4.221 4.320 0.000 0.000 0.203 317 K C 1.233 177.750 176.600 -0.139 0.000 1.050 317 K CA 1.209 57.420 56.287 -0.127 0.000 0.945 317 K CB -0.007 32.436 32.500 -0.096 0.000 0.732 317 K HN -0.021 nan 8.250 nan 0.000 0.451 318 K N 1.242 121.536 120.400 -0.176 0.000 2.569 318 K HA -0.064 4.256 4.320 0.000 0.000 0.193 318 K C -0.384 175.872 176.600 -0.572 0.000 1.026 318 K CA 0.557 56.639 56.287 -0.343 0.000 1.093 318 K CB -0.208 32.076 32.500 -0.360 0.000 0.849 318 K HN 0.210 nan 8.250 nan 0.000 0.509 319 D N -0.002 120.205 120.400 -0.322 0.000 2.772 319 D HA -0.194 4.446 4.640 0.000 0.000 0.233 319 D C -1.409 174.798 176.300 -0.155 0.000 1.143 319 D CA 0.857 54.728 54.000 -0.214 0.000 0.700 319 D CB -1.107 39.601 40.800 -0.152 0.000 1.076 319 D HN 0.158 nan 8.370 nan 0.000 0.430 320 Y N -0.674 119.651 120.300 0.043 0.000 2.360 320 Y HA 0.318 4.868 4.550 0.000 0.000 0.337 320 Y C 1.909 177.865 175.900 0.093 0.000 1.039 320 Y CA -1.343 56.782 58.100 0.042 0.000 1.109 320 Y CB 0.952 39.441 38.460 0.047 0.000 1.201 320 Y HN 0.191 nan 8.280 nan 0.000 0.458 321 C N -1.090 118.316 119.300 0.177 0.000 2.468 321 C HA 0.415 4.875 4.460 0.000 0.000 0.277 321 C C 1.719 176.725 174.990 0.028 0.000 1.400 321 C CA 0.470 59.554 59.018 0.110 0.000 1.770 321 C CB -0.915 26.822 27.740 -0.005 0.000 1.905 321 C HN 1.219 nan 8.230 nan 0.000 0.519 322 G N -0.693 108.016 108.800 -0.151 0.000 2.184 322 G HA2 -0.221 3.739 3.960 0.000 0.000 0.206 322 G HA3 -0.221 3.739 3.960 0.000 0.000 0.206 322 G C 0.066 174.682 174.900 -0.474 0.000 0.995 322 G CA 0.099 44.845 45.100 -0.591 0.000 0.651 322 G HN 1.013 nan 8.290 nan 0.000 0.511 323 C N 2.223 121.340 119.300 -0.304 0.000 2.394 323 C HA 0.829 5.290 4.460 0.000 0.000 0.362 323 C C 0.546 175.408 174.990 -0.214 0.000 1.268 323 C CA -0.218 58.641 59.018 -0.264 0.000 1.828 323 C CB -1.000 26.599 27.740 -0.235 0.000 2.442 323 C HN 0.384 nan 8.230 nan 0.000 0.549 324 M N 7.455 126.954 119.600 -0.168 0.000 2.259 324 M HA 0.463 4.943 4.480 0.000 0.000 0.304 324 M C -0.620 175.719 176.300 0.064 0.000 1.019 324 M CA -0.162 55.104 55.300 -0.058 0.000 0.922 324 M CB 1.723 34.255 32.600 -0.113 0.000 1.600 324 M HN 0.438 nan 8.290 nan 0.000 0.433 325 I N 4.858 125.552 120.570 0.207 0.000 2.269 325 I HA 0.273 4.443 4.170 0.000 0.000 0.293 325 I C -0.608 175.692 176.117 0.305 0.000 1.106 325 I CA -0.341 61.133 61.300 0.288 0.000 1.248 325 I CB 0.036 38.312 38.000 0.460 0.000 1.444 325 I HN 0.628 nan 8.210 nan 0.000 0.497 326 I N 5.953 126.676 120.570 0.256 0.000 2.281 326 I HA 0.120 4.290 4.170 0.000 0.000 0.293 326 I C 0.668 176.952 176.117 0.279 0.000 1.085 326 I CA 0.109 61.593 61.300 0.307 0.000 1.257 326 I CB 0.370 38.512 38.000 0.236 0.000 1.430 326 I HN 0.548 nan 8.210 nan 0.000 0.489 327 E N 6.767 127.142 120.200 0.292 0.000 2.079 327 E HA 0.202 4.552 4.350 0.000 0.000 0.252 327 E C -1.165 175.549 176.600 0.191 0.000 0.992 327 E CA -0.119 56.410 56.400 0.215 0.000 0.829 327 E CB 0.427 30.261 29.700 0.224 0.000 1.158 327 E HN 0.511 nan 8.360 nan 0.000 0.435 328 D N 3.299 123.814 120.400 0.193 0.000 2.633 328 D HA -0.008 4.632 4.640 0.000 0.000 0.198 328 D C 0.218 176.610 176.300 0.154 0.000 1.273 328 D CA -0.192 53.921 54.000 0.187 0.000 0.830 328 D CB 1.305 42.307 40.800 0.337 0.000 1.771 328 D HN 0.389 nan 8.370 nan 0.000 0.547 329 E N 1.462 121.731 120.200 0.115 0.000 2.285 329 E HA -0.068 4.282 4.350 0.000 0.000 0.194 329 E C 0.469 177.118 176.600 0.082 0.000 0.997 329 E CA 0.553 57.008 56.400 0.092 0.000 0.845 329 E CB 0.553 30.296 29.700 0.073 0.000 0.782 329 E HN 0.423 nan 8.360 nan 0.000 0.491 330 D N 0.910 121.365 120.400 0.092 0.000 2.289 330 D HA 0.030 4.670 4.640 0.000 0.000 0.207 330 D C 0.456 176.803 176.300 0.078 0.000 0.966 330 D CA 0.207 54.253 54.000 0.076 0.000 0.868 330 D CB 0.082 40.929 40.800 0.078 0.000 0.943 330 D HN 0.010 nan 8.370 nan 0.000 0.514 331 A N 1.900 124.785 122.820 0.108 0.000 2.491 331 A HA 0.205 4.525 4.320 0.000 0.000 0.261 331 A C -1.192 176.432 177.584 0.067 0.000 1.101 331 A CA -0.912 51.181 52.037 0.094 0.000 0.772 331 A CB 0.509 19.596 19.000 0.145 0.000 1.043 331 A HN -0.041 nan 8.150 nan 0.000 0.501 332 P HA -0.149 nan 4.420 nan 0.000 0.217 332 P C 0.441 177.780 177.300 0.066 0.000 1.162 332 P CA 1.294 64.410 63.100 0.027 0.000 0.901 332 P CB -0.032 31.653 31.700 -0.025 0.000 0.793 333 I N -1.146 119.471 120.570 0.080 0.000 2.577 333 I HA 0.098 4.268 4.170 0.000 0.000 0.305 333 I C 1.459 177.669 176.117 0.156 0.000 0.986 333 I CA -0.137 61.243 61.300 0.134 0.000 1.189 333 I CB 1.555 39.655 38.000 0.167 0.000 1.355 333 I HN -0.089 nan 8.210 nan 0.000 0.476 334 S N 3.880 119.689 115.700 0.181 0.000 2.502 334 S HA 0.325 4.795 4.470 0.000 0.000 0.228 334 S C 0.399 175.110 174.600 0.184 0.000 1.061 334 S CA 0.127 58.434 58.200 0.179 0.000 0.935 334 S CB 0.810 64.115 63.200 0.175 0.000 0.809 334 S HN 0.601 nan 8.310 nan 0.000 0.510 335 I N 1.186 121.867 120.570 0.186 0.000 2.984 335 I HA 0.478 4.648 4.170 0.000 0.000 0.303 335 I C -1.783 174.348 176.117 0.023 0.000 1.381 335 I CA -0.144 61.231 61.300 0.126 0.000 0.988 335 I CB 2.283 40.377 38.000 0.158 0.000 1.307 335 I HN 0.236 nan 8.210 nan 0.000 0.460 336 T N 3.826 118.323 114.554 -0.095 0.000 2.868 336 T HA 0.746 5.096 4.350 0.000 0.000 0.306 336 T C -1.372 173.158 174.700 -0.285 0.000 1.224 336 T CA -0.771 61.194 62.100 -0.226 0.000 1.012 336 T CB 1.509 70.195 68.868 -0.304 0.000 1.221 336 T HN 0.538 nan 8.240 nan 0.000 0.499 337 L N 0.998 122.026 121.223 -0.325 0.000 2.371 337 L HA 0.550 4.890 4.340 0.000 0.000 0.262 337 L C -0.497 176.177 176.870 -0.326 0.000 1.006 337 L CA -1.199 53.458 54.840 -0.306 0.000 0.818 337 L CB 2.205 44.097 42.059 -0.278 0.000 1.354 337 L HN 0.890 nan 8.230 nan 0.000 0.415 338 D N 0.032 120.250 120.400 -0.305 0.000 2.488 338 D HA -0.040 4.600 4.640 0.000 0.000 0.238 338 D C -0.318 175.931 176.300 -0.085 0.000 1.138 338 D CA 0.573 54.427 54.000 -0.244 0.000 0.873 338 D CB 0.779 41.549 40.800 -0.050 0.000 1.183 338 D HN 0.508 nan 8.370 nan 0.000 0.458 339 D N 1.923 122.283 120.400 -0.067 0.000 2.696 339 D HA 0.151 4.791 4.640 0.000 0.000 0.269 339 D C -0.778 175.561 176.300 0.064 0.000 1.319 339 D CA -0.294 53.709 54.000 0.005 0.000 0.826 339 D CB 0.305 41.060 40.800 -0.076 0.000 1.086 339 D HN 0.239 nan 8.370 nan 0.000 0.481 340 T N 1.183 115.817 114.554 0.133 0.000 2.907 340 T HA 0.133 4.483 4.350 0.000 0.000 0.298 340 T C 0.485 175.236 174.700 0.085 0.000 1.017 340 T CA -0.398 61.788 62.100 0.142 0.000 1.118 340 T CB 1.010 69.992 68.868 0.189 0.000 0.948 340 T HN -0.067 nan 8.240 nan 0.000 0.531 341 K N 3.346 123.751 120.400 0.008 0.000 2.336 341 K HA 0.083 4.403 4.320 0.000 0.000 0.262 341 K C -1.627 174.866 176.600 -0.178 0.000 0.992 341 K CA -1.815 54.405 56.287 -0.112 0.000 0.927 341 K CB 0.055 32.477 32.500 -0.130 0.000 0.956 341 K HN 0.271 nan 8.250 nan 0.000 0.495 342 P HA -0.169 nan 4.420 nan 0.000 0.220 342 P C 0.349 177.559 177.300 -0.151 0.000 1.144 342 P CA 1.330 64.184 63.100 -0.410 0.000 0.800 342 P CB 0.120 31.433 31.700 -0.645 0.000 0.772 343 D N -2.279 118.056 120.400 -0.109 0.000 2.328 343 D HA 0.130 4.770 4.640 0.000 0.000 0.221 343 D C 1.408 177.689 176.300 -0.030 0.000 1.072 343 D CA 0.338 54.307 54.000 -0.052 0.000 0.850 343 D CB -0.817 39.960 40.800 -0.037 0.000 0.922 343 D HN 0.206 nan 8.370 nan 0.000 0.516 344 G N 0.178 108.963 108.800 -0.025 0.000 2.199 344 G HA2 -0.293 3.667 3.960 0.000 0.000 0.254 344 G HA3 -0.293 3.667 3.960 0.000 0.000 0.254 344 G C 0.451 175.353 174.900 0.003 0.000 0.982 344 G CA 0.402 45.497 45.100 -0.008 0.000 0.632 344 G HN 0.822 nan 8.290 nan 0.000 0.529 345 S N 0.197 115.896 115.700 -0.001 0.000 2.603 345 S HA 0.617 5.087 4.470 0.000 0.000 0.268 345 S C 0.939 175.569 174.600 0.049 0.000 1.317 345 S CA 0.100 58.310 58.200 0.016 0.000 1.012 345 S CB 1.130 64.330 63.200 0.001 0.000 0.926 345 S HN 1.487 nan 8.310 nan 0.000 0.539 346 L N -1.294 119.981 121.223 0.088 0.000 3.887 346 L HA -0.104 4.236 4.340 0.000 0.000 0.546 346 L C -2.429 174.592 176.870 0.251 0.000 1.196 346 L CA -0.541 54.412 54.840 0.188 0.000 0.777 346 L CB -1.987 40.178 42.059 0.177 0.000 1.346 346 L HN 0.509 nan 8.230 nan 0.000 0.810 347 P HA 0.317 nan 4.420 nan 0.000 0.265 347 P C -0.063 177.489 177.300 0.420 0.000 1.193 347 P CA 0.437 63.725 63.100 0.314 0.000 0.765 347 P CB 1.164 32.981 31.700 0.195 0.000 0.823 348 A N 3.441 126.472 122.820 0.351 0.000 2.604 348 A HA 0.653 4.973 4.320 0.000 0.000 0.295 348 A C -1.410 176.046 177.584 -0.213 0.000 1.067 348 A CA -0.531 51.470 52.037 -0.060 0.000 0.683 348 A CB 1.211 19.892 19.000 -0.532 0.000 1.281 348 A HN 0.337 nan 8.150 nan 0.000 0.407 349 I N 2.885 123.258 120.570 -0.328 0.000 2.355 349 I HA 0.293 4.463 4.170 0.000 0.000 0.288 349 I C -0.019 175.940 176.117 -0.263 0.000 0.999 349 I CA -0.308 60.712 61.300 -0.466 0.000 1.163 349 I CB 1.592 39.192 38.000 -0.667 0.000 1.316 349 I HN 0.761 nan 8.210 nan 0.000 0.454 350 M N 6.208 125.650 119.600 -0.264 0.000 2.146 350 M HA 0.430 4.910 4.480 0.000 0.000 0.352 350 M C -0.235 175.912 176.300 -0.255 0.000 1.343 350 M CA 0.081 55.245 55.300 -0.226 0.000 1.115 350 M CB 0.699 33.175 32.600 -0.207 0.000 1.657 350 M HN 0.685 nan 8.290 nan 0.000 0.471 351 G N 4.881 113.589 108.800 -0.153 0.000 2.495 351 G HA2 0.666 4.626 3.960 0.000 0.000 0.318 351 G HA3 0.666 4.626 3.960 0.000 0.000 0.318 351 G C -1.742 173.115 174.900 -0.072 0.000 1.257 351 G CA -0.425 44.640 45.100 -0.059 0.000 0.962 351 G HN 0.630 nan 8.290 nan 0.000 0.483 352 F N 0.845 120.877 119.950 0.137 0.000 2.443 352 F HA 0.543 5.070 4.527 -0.000 0.000 0.335 352 F C 0.522 176.394 175.800 0.119 0.000 1.104 352 F CA -1.253 56.832 58.000 0.140 0.000 1.013 352 F CB 1.946 41.036 39.000 0.150 0.000 1.136 352 F HN 0.151 nan 8.300 nan 0.000 0.470 353 I N 5.013 125.778 120.570 0.325 0.000 2.339 353 I HA 0.429 4.599 4.170 0.000 0.000 0.290 353 I C -0.698 175.505 176.117 0.144 0.000 0.994 353 I CA -0.413 61.005 61.300 0.197 0.000 1.191 353 I CB 1.084 39.174 38.000 0.151 0.000 1.343 353 I HN 0.342 nan 8.210 nan 0.000 0.458 354 L N 5.538 126.814 121.223 0.088 0.000 2.354 354 L HA 0.833 5.173 4.340 0.000 0.000 0.264 354 L C 0.620 177.481 176.870 -0.015 0.000 1.008 354 L CA -0.562 54.279 54.840 0.002 0.000 0.819 354 L CB 1.732 43.779 42.059 -0.019 0.000 1.339 354 L HN 0.891 nan 8.230 nan 0.000 0.420 355 A N 1.557 124.340 122.820 -0.063 0.000 5.581 355 A HA -0.263 4.057 4.320 0.000 0.000 0.286 355 A C 1.463 179.026 177.584 -0.036 0.000 2.048 355 A CA 1.427 53.418 52.037 -0.076 0.000 0.715 355 A CB -1.025 17.922 19.000 -0.088 0.000 1.192 355 A HN 0.877 nan 8.150 nan 0.000 0.364 356 R N -0.256 120.226 120.500 -0.030 0.000 2.105 356 R HA -0.127 4.214 4.340 0.000 0.000 0.239 356 R C 2.297 178.605 176.300 0.013 0.000 1.135 356 R CA 1.848 57.947 56.100 -0.002 0.000 0.967 356 R CB -0.347 29.959 30.300 0.011 0.000 0.861 356 R HN 0.642 nan 8.270 nan 0.000 0.442 357 K N -0.123 120.290 120.400 0.022 0.000 2.103 357 K HA -0.135 4.185 4.320 0.000 0.000 0.207 357 K C 2.028 178.651 176.600 0.039 0.000 1.048 357 K CA 1.398 57.706 56.287 0.036 0.000 0.930 357 K CB -0.085 32.446 32.500 0.052 0.000 0.716 357 K HN 0.157 nan 8.250 nan 0.000 0.444 358 A N 1.598 124.441 122.820 0.038 0.000 1.898 358 A HA -0.191 4.129 4.320 0.000 0.000 0.216 358 A C 1.615 179.219 177.584 0.034 0.000 1.181 358 A CA 1.792 53.857 52.037 0.047 0.000 0.620 358 A CB -0.345 18.684 19.000 0.049 0.000 0.819 358 A HN 0.202 nan 8.150 nan 0.000 0.442 359 D N -0.609 119.805 120.400 0.023 0.000 2.178 359 D HA -0.091 4.549 4.640 0.000 0.000 0.202 359 D C 2.178 178.485 176.300 0.012 0.000 0.974 359 D CA 0.979 54.989 54.000 0.017 0.000 0.841 359 D CB -0.193 40.614 40.800 0.013 0.000 0.953 359 D HN 0.488 nan 8.370 nan 0.000 0.478 360 R N -0.380 120.129 120.500 0.014 0.000 2.112 360 R HA 0.137 4.477 4.340 0.000 0.000 0.216 360 R C 2.256 178.560 176.300 0.006 0.000 1.080 360 R CA 0.138 56.243 56.100 0.008 0.000 0.996 360 R CB -0.044 30.263 30.300 0.012 0.000 0.902 360 R HN 0.109 nan 8.270 nan 0.000 0.449 361 L N 0.522 121.755 121.223 0.017 0.000 2.240 361 L HA 0.022 4.362 4.340 0.000 0.000 0.211 361 L C 2.411 179.289 176.870 0.012 0.000 1.106 361 L CA 0.882 55.732 54.840 0.017 0.000 0.793 361 L CB -0.285 41.794 42.059 0.033 0.000 0.927 361 L HN 0.155 nan 8.230 nan 0.000 0.446 362 A N -0.395 122.435 122.820 0.015 0.000 2.076 362 A HA -0.236 4.084 4.320 0.000 0.000 0.220 362 A C 2.277 179.849 177.584 -0.020 0.000 1.160 362 A CA 1.557 53.598 52.037 0.008 0.000 0.653 362 A CB -0.389 18.617 19.000 0.011 0.000 0.801 362 A HN 0.353 nan 8.150 nan 0.000 0.455 363 K N -0.697 119.685 120.400 -0.029 0.000 2.365 363 K HA 0.123 4.443 4.320 0.000 0.000 0.199 363 K C 0.113 176.652 176.600 -0.102 0.000 1.045 363 K CA 0.101 56.353 56.287 -0.059 0.000 0.962 363 K CB -0.225 32.249 32.500 -0.044 0.000 0.759 363 K HN 0.509 nan 8.250 nan 0.000 0.469 364 L N 0.214 121.391 121.223 -0.077 0.000 2.456 364 L HA 0.193 4.533 4.340 0.000 0.000 0.257 364 L C 0.359 177.160 176.870 -0.114 0.000 1.162 364 L CA -0.784 53.999 54.840 -0.095 0.000 0.808 364 L CB 0.241 42.283 42.059 -0.029 0.000 1.136 364 L HN 0.072 nan 8.230 nan 0.000 0.466 365 H N -0.144 118.920 119.070 -0.011 0.000 2.707 365 H HA 0.008 4.564 4.556 -0.000 0.000 0.359 365 H C 0.706 176.024 175.328 -0.016 0.000 1.113 365 H CA 0.043 56.084 56.048 -0.011 0.000 1.422 365 H CB 1.086 30.837 29.762 -0.018 0.000 1.443 365 H HN 0.494 nan 8.280 nan 0.000 0.591 366 K N 2.146 122.631 120.400 0.140 0.000 2.152 366 K HA -0.216 4.104 4.320 0.000 0.000 0.206 366 K C 1.766 178.358 176.600 -0.013 0.000 1.048 366 K CA 1.642 57.983 56.287 0.090 0.000 0.933 366 K CB 0.139 32.709 32.500 0.118 0.000 0.721 366 K HN 0.695 nan 8.250 nan 0.000 0.447 367 E N 0.326 120.517 120.200 -0.016 0.000 2.107 367 E HA -0.144 4.206 4.350 0.000 0.000 0.191 367 E C 1.879 178.410 176.600 -0.115 0.000 0.982 367 E CA 0.776 57.120 56.400 -0.093 0.000 0.809 367 E CB 0.147 29.804 29.700 -0.071 0.000 0.756 367 E HN 0.289 nan 8.360 nan 0.000 0.459 368 I N 0.703 121.246 120.570 -0.045 0.000 2.252 368 I HA -0.192 3.978 4.170 0.000 0.000 0.245 368 I C 2.576 178.640 176.117 -0.089 0.000 1.102 368 I CA 1.032 62.304 61.300 -0.047 0.000 1.385 368 I CB -1.130 36.879 38.000 0.015 0.000 1.064 368 I HN 0.111 nan 8.210 nan 0.000 0.414 369 R N 1.180 121.631 120.500 -0.082 0.000 2.081 369 R HA -0.198 4.142 4.340 0.000 0.000 0.235 369 R C 2.380 178.533 176.300 -0.245 0.000 1.131 369 R CA 1.612 57.654 56.100 -0.096 0.000 0.960 369 R CB -0.133 30.162 30.300 -0.010 0.000 0.856 369 R HN 0.238 nan 8.270 nan 0.000 0.436 370 K N 0.667 120.792 120.400 -0.460 0.000 2.097 370 K HA -0.215 4.105 4.320 0.000 0.000 0.206 370 K C 1.988 178.338 176.600 -0.416 0.000 1.049 370 K CA 1.633 57.455 56.287 -0.774 0.000 0.933 370 K CB -0.012 31.897 32.500 -0.985 0.000 0.717 370 K HN 0.022 nan 8.250 nan 0.000 0.442 371 K N 0.618 120.857 120.400 -0.269 0.000 2.025 371 K HA -0.113 4.207 4.320 0.000 0.000 0.207 371 K C 1.797 178.297 176.600 -0.166 0.000 1.049 371 K CA 1.272 57.449 56.287 -0.183 0.000 0.933 371 K CB 0.138 32.563 32.500 -0.124 0.000 0.714 371 K HN 0.004 nan 8.250 nan 0.000 0.438 372 K N 0.448 120.755 120.400 -0.156 0.000 2.211 372 K HA -0.075 4.245 4.320 0.000 0.000 0.203 372 K C 2.069 178.560 176.600 -0.182 0.000 1.050 372 K CA 0.910 57.119 56.287 -0.129 0.000 0.945 372 K CB -0.030 32.417 32.500 -0.089 0.000 0.732 372 K HN 0.287 nan 8.250 nan 0.000 0.451 373 I N 0.388 120.800 120.570 -0.263 0.000 2.277 373 I HA -0.252 3.918 4.170 0.000 0.000 0.243 373 I C 2.368 178.135 176.117 -0.582 0.000 1.094 373 I CA 0.623 61.658 61.300 -0.440 0.000 1.393 373 I CB -0.309 37.449 38.000 -0.403 0.000 1.078 373 I HN 0.071 nan 8.210 nan 0.000 0.417 374 C N 0.707 119.806 119.300 -0.336 0.000 2.401 374 C HA -0.206 4.254 4.460 0.000 0.000 0.276 374 C C 2.692 177.636 174.990 -0.077 0.000 1.233 374 C CA 1.138 60.081 59.018 -0.124 0.000 1.753 374 C CB -1.087 26.616 27.740 -0.062 0.000 2.029 374 C HN 0.487 nan 8.230 nan 0.000 0.478 375 E N 0.089 120.221 120.200 -0.114 0.000 2.110 375 E HA -0.201 4.149 4.350 0.000 0.000 0.193 375 E C 1.979 178.541 176.600 -0.063 0.000 0.988 375 E CA 0.921 57.278 56.400 -0.071 0.000 0.804 375 E CB -0.203 29.454 29.700 -0.070 0.000 0.745 375 E HN 0.591 nan 8.360 nan 0.000 0.458 376 L N -0.243 120.909 121.223 -0.118 0.000 2.056 376 L HA -0.151 4.189 4.340 0.000 0.000 0.207 376 L C 1.839 178.725 176.870 0.027 0.000 1.078 376 L CA 1.538 56.314 54.840 -0.108 0.000 0.749 376 L CB -0.327 41.650 42.059 -0.136 0.000 0.901 376 L HN 0.255 nan 8.230 nan 0.000 0.433 377 Y N -0.610 119.673 120.300 -0.027 0.000 2.181 377 Y HA -0.294 4.256 4.550 0.001 0.000 0.288 377 Y C 2.594 178.527 175.900 0.054 0.000 1.146 377 Y CA 0.316 58.428 58.100 0.019 0.000 1.164 377 Y CB -0.537 37.995 38.460 0.119 0.000 0.982 377 Y HN 0.401 nan 8.280 nan 0.000 0.515 378 A N 0.598 123.540 122.820 0.203 0.000 1.873 378 A HA -0.294 4.026 4.320 0.000 0.000 0.218 378 A C 2.115 179.753 177.584 0.090 0.000 1.193 378 A CA 2.235 54.344 52.037 0.120 0.000 0.629 378 A CB -0.753 18.274 19.000 0.046 0.000 0.826 378 A HN 0.404 nan 8.150 nan 0.000 0.447 379 K N -0.635 119.787 120.400 0.036 0.000 1.978 379 K HA -0.126 4.194 4.320 0.000 0.000 0.214 379 K C 1.884 178.480 176.600 -0.006 0.000 1.049 379 K CA 1.943 58.233 56.287 0.006 0.000 0.939 379 K CB -0.400 32.070 32.500 -0.051 0.000 0.721 379 K HN 0.230 nan 8.250 nan 0.000 0.441 380 V N 1.409 121.254 119.914 -0.116 0.000 2.295 380 V HA -0.236 3.884 4.120 0.000 0.000 0.246 380 V C 2.150 178.238 176.094 -0.010 0.000 1.049 380 V CA 1.686 63.900 62.300 -0.144 0.000 1.024 380 V CB -0.407 31.274 31.823 -0.236 0.000 0.648 380 V HN 0.326 nan 8.190 nan 0.000 0.447 381 L N 0.319 121.593 121.223 0.085 0.000 2.558 381 L HA 0.317 4.657 4.340 0.000 0.000 0.225 381 L C 1.599 178.678 176.870 0.349 0.000 1.128 381 L CA 0.681 55.668 54.840 0.244 0.000 0.868 381 L CB -0.588 41.675 42.059 0.340 0.000 1.006 381 L HN 0.560 nan 8.230 nan 0.000 0.454 382 G N 0.797 109.727 108.800 0.217 0.000 2.295 382 G HA2 -0.278 3.682 3.960 0.000 0.000 0.287 382 G HA3 -0.278 3.682 3.960 0.000 0.000 0.287 382 G C 0.077 175.070 174.900 0.155 0.000 1.055 382 G CA 0.634 45.839 45.100 0.174 0.000 0.922 382 G HN 0.363 nan 8.290 nan 0.000 0.503 383 S N -1.696 114.091 115.700 0.144 0.000 2.588 383 S HA 0.672 5.142 4.470 0.000 0.000 0.275 383 S C 0.600 175.178 174.600 -0.036 0.000 1.130 383 S CA -0.390 57.836 58.200 0.044 0.000 0.855 383 S CB 1.689 64.916 63.200 0.045 0.000 1.116 383 S HN 0.111 nan 8.310 nan 0.000 0.472 384 Q N 1.154 120.902 119.800 -0.087 0.000 2.352 384 Q HA 0.230 4.570 4.340 0.000 0.000 0.212 384 Q C 1.208 177.162 176.000 -0.078 0.000 0.888 384 Q CA 0.412 56.187 55.803 -0.047 0.000 0.934 384 Q CB 0.004 28.755 28.738 0.022 0.000 1.093 384 Q HN 0.840 nan 8.270 nan 0.000 0.523 385 E N 0.656 120.667 120.200 -0.316 0.000 2.333 385 E HA -0.089 4.261 4.350 0.000 0.000 0.198 385 E C 1.528 177.803 176.600 -0.543 0.000 1.007 385 E CA 0.689 56.812 56.400 -0.462 0.000 0.845 385 E CB 0.189 29.340 29.700 -0.915 0.000 0.766 385 E HN 0.317 nan 8.360 nan 0.000 0.507 386 A N 0.091 122.611 122.820 -0.500 0.000 2.067 386 A HA -0.112 4.208 4.320 0.000 0.000 0.219 386 A C 1.667 179.400 177.584 0.250 0.000 1.158 386 A CA 0.738 52.806 52.037 0.051 0.000 0.661 386 A CB -0.047 19.122 19.000 0.281 0.000 0.801 386 A HN 0.195 nan 8.150 nan 0.000 0.452 387 L N 0.008 121.201 121.223 -0.050 0.000 2.612 387 L HA 0.112 4.452 4.340 0.000 0.000 0.230 387 L C 0.163 176.715 176.870 -0.529 0.000 1.140 387 L CA 0.677 55.355 54.840 -0.270 0.000 0.896 387 L CB -0.511 41.304 42.059 -0.407 0.000 1.065 387 L HN 0.417 nan 8.230 nan 0.000 0.447 388 H N -0.426 118.781 119.070 0.228 0.000 2.471 388 H HA 0.341 4.897 4.556 0.000 0.000 0.234 388 H C -2.268 173.243 175.328 0.305 0.000 1.388 388 H CA -1.735 54.434 56.048 0.202 0.000 1.198 388 H CB 0.157 29.992 29.762 0.122 0.000 1.714 388 H HN 0.087 nan 8.280 nan 0.000 0.536 389 P HA -0.020 nan 4.420 nan 0.000 0.275 389 P C 1.355 178.693 177.300 0.063 0.000 1.227 389 P CA -0.150 62.894 63.100 -0.094 0.000 0.781 389 P CB 2.025 33.602 31.700 -0.205 0.000 0.906 390 V N -1.370 118.602 119.914 0.096 0.000 3.541 390 V HA 0.201 4.321 4.120 0.000 0.000 0.267 390 V C 0.770 176.989 176.094 0.209 0.000 1.213 390 V CA 0.841 63.239 62.300 0.163 0.000 1.149 390 V CB -1.203 30.732 31.823 0.187 0.000 0.822 390 V HN 0.712 nan 8.190 nan 0.000 0.462 391 H N -1.139 117.969 119.070 0.063 0.000 3.020 391 H HA 0.368 4.925 4.556 0.000 0.000 0.303 391 H C -2.568 172.892 175.328 0.219 0.000 1.332 391 H CA -0.438 55.639 56.048 0.047 0.000 1.282 391 H CB 2.093 31.795 29.762 -0.100 0.000 1.928 391 H HN 0.180 nan 8.280 nan 0.000 0.519 392 Y N 2.654 122.621 120.300 -0.555 0.000 2.396 392 Y HA 0.334 4.884 4.550 -0.000 0.000 0.332 392 Y C -1.407 174.284 175.900 -0.348 0.000 1.034 392 Y CA -0.502 57.441 58.100 -0.262 0.000 1.057 392 Y CB 1.438 39.775 38.460 -0.205 0.000 1.220 392 Y HN 0.495 nan 8.280 nan 0.000 0.440 393 E N 4.959 124.794 120.200 -0.610 0.000 2.212 393 E HA 0.318 4.668 4.350 0.000 0.000 0.268 393 E C -1.307 174.858 176.600 -0.725 0.000 0.902 393 E CA -0.771 55.344 56.400 -0.475 0.000 0.779 393 E CB 2.486 32.147 29.700 -0.065 0.000 1.172 393 E HN 0.807 nan 8.360 nan 0.000 0.409 394 E N 0.995 120.921 120.200 -0.455 0.000 2.340 394 E HA 0.640 4.990 4.350 0.000 0.000 0.273 394 E C -1.156 175.378 176.600 -0.111 0.000 0.891 394 E CA -1.064 55.172 56.400 -0.274 0.000 0.757 394 E CB 2.226 31.813 29.700 -0.187 0.000 1.231 394 E HN 0.063 nan 8.360 nan 0.000 0.439 395 K N 1.909 122.288 120.400 -0.035 0.000 2.541 395 K HA 0.290 4.610 4.320 0.000 0.000 0.250 395 K C -1.565 174.965 176.600 -0.117 0.000 0.950 395 K CA -0.609 55.605 56.287 -0.122 0.000 0.805 395 K CB 1.457 33.884 32.500 -0.122 0.000 1.166 395 K HN 0.536 nan 8.250 nan 0.000 0.430 396 N N 4.421 123.014 118.700 -0.179 0.000 2.437 396 N HA 0.094 4.834 4.740 0.000 0.000 0.243 396 N C -0.177 175.233 175.510 -0.166 0.000 1.041 396 N CA -0.196 52.807 53.050 -0.078 0.000 0.940 396 N CB 0.308 38.773 38.487 -0.036 0.000 1.133 396 N HN 0.680 nan 8.380 nan 0.000 0.506 397 W N 2.183 123.524 121.300 0.068 0.000 2.584 397 W HA 0.015 4.676 4.660 0.000 0.000 0.264 397 W C 2.136 178.675 176.519 0.032 0.000 1.264 397 W CA 0.009 57.391 57.345 0.061 0.000 1.306 397 W CB -0.232 29.271 29.460 0.071 0.000 1.110 397 W HN 0.597 nan 8.180 nan 0.000 0.606 398 C N -0.607 118.798 119.300 0.175 0.000 2.422 398 C HA -0.141 4.319 4.460 0.000 0.000 0.279 398 C C 1.803 176.820 174.990 0.045 0.000 1.305 398 C CA 0.658 59.734 59.018 0.097 0.000 1.757 398 C CB -1.267 26.510 27.740 0.062 0.000 1.962 398 C HN 0.330 nan 8.230 nan 0.000 0.499 399 E N 0.877 121.084 120.200 0.012 0.000 2.463 399 E HA 0.007 4.357 4.350 0.000 0.000 0.191 399 E C 0.035 176.603 176.600 -0.053 0.000 1.083 399 E CA 0.140 56.522 56.400 -0.030 0.000 0.872 399 E CB -0.005 29.669 29.700 -0.043 0.000 0.966 399 E HN 0.597 nan 8.360 nan 0.000 0.491 400 E N 1.441 121.627 120.200 -0.023 0.000 2.044 400 E HA -0.013 4.337 4.350 0.000 0.000 0.282 400 E C 0.765 177.343 176.600 -0.038 0.000 1.031 400 E CA -0.063 56.325 56.400 -0.020 0.000 0.824 400 E CB 1.114 30.853 29.700 0.065 0.000 1.076 400 E HN 0.368 nan 8.360 nan 0.000 0.395 401 Q N 1.848 121.551 119.800 -0.162 0.000 2.234 401 Q HA -0.177 4.163 4.340 0.000 0.000 0.206 401 Q C 0.708 176.443 176.000 -0.441 0.000 0.980 401 Q CA 1.569 57.163 55.803 -0.348 0.000 0.869 401 Q CB -0.277 28.147 28.738 -0.523 0.000 0.912 401 Q HN 0.541 nan 8.270 nan 0.000 0.436 402 Y N 0.057 120.374 120.300 0.028 0.000 2.461 402 Y HA 0.234 4.785 4.550 0.001 0.000 0.277 402 Y C 1.511 177.460 175.900 0.083 0.000 1.182 402 Y CA 0.048 58.171 58.100 0.038 0.000 1.276 402 Y CB 0.851 39.322 38.460 0.019 0.000 1.087 402 Y HN 0.143 nan 8.280 nan 0.000 0.519 403 S N -1.944 113.881 115.700 0.209 0.000 2.931 403 S HA 0.305 4.775 4.470 0.000 0.000 0.251 403 S C 1.809 176.494 174.600 0.143 0.000 1.078 403 S CA 0.559 58.895 58.200 0.227 0.000 0.835 403 S CB 0.648 64.090 63.200 0.404 0.000 0.798 403 S HN 0.507 nan 8.310 nan 0.000 0.495 404 G N 0.938 109.804 108.800 0.110 0.000 2.258 404 G HA2 0.116 4.076 3.960 0.000 0.000 0.233 404 G HA3 0.116 4.076 3.960 0.000 0.000 0.233 404 G C 0.511 175.463 174.900 0.087 0.000 1.006 404 G CA -0.031 45.103 45.100 0.057 0.000 0.620 404 G HN 1.472 nan 8.290 nan 0.000 0.511 405 G N -2.227 106.668 108.800 0.159 0.000 2.369 405 G HA2 0.506 4.466 3.960 0.000 0.000 0.295 405 G HA3 0.506 4.466 3.960 0.000 0.000 0.295 405 G C -0.830 174.146 174.900 0.126 0.000 1.298 405 G CA 0.288 45.488 45.100 0.167 0.000 0.940 405 G HN 1.421 nan 8.290 nan 0.000 0.536 406 C N -1.534 117.789 119.300 0.038 0.000 3.291 406 C HA 0.645 5.105 4.460 0.000 0.000 0.316 406 C C 0.975 175.802 174.990 -0.272 0.000 1.391 406 C CA -0.561 58.401 59.018 -0.092 0.000 1.394 406 C CB 0.965 28.559 27.740 -0.244 0.000 1.744 406 C HN 0.730 nan 8.230 nan 0.000 0.461 407 Y N 0.476 120.704 120.300 -0.121 0.000 2.373 407 Y HA 0.190 4.740 4.550 0.001 0.000 0.293 407 Y C 1.550 177.419 175.900 -0.052 0.000 1.129 407 Y CA 1.200 59.203 58.100 -0.162 0.000 1.226 407 Y CB -0.405 37.932 38.460 -0.204 0.000 1.000 407 Y HN 0.696 nan 8.280 nan 0.000 0.549 408 T N -1.473 113.172 114.554 0.151 0.000 2.711 408 T HA 0.742 5.092 4.350 0.000 0.000 0.302 408 T C -1.261 173.542 174.700 0.172 0.000 1.373 408 T CA -0.429 61.798 62.100 0.210 0.000 1.000 408 T CB 0.704 69.796 68.868 0.373 0.000 1.483 408 T HN 0.127 nan 8.240 nan 0.000 0.499 409 A N 1.043 123.957 122.820 0.157 0.000 2.351 409 A HA 0.684 5.004 4.320 0.000 0.000 0.257 409 A C -0.819 176.757 177.584 -0.013 0.000 1.087 409 A CA -0.291 51.733 52.037 -0.022 0.000 0.798 409 A CB -0.242 18.689 19.000 -0.114 0.000 1.033 409 A HN 0.901 nan 8.150 nan 0.000 0.488 410 Y N -1.645 118.459 120.300 -0.327 0.000 2.549 410 Y HA 0.760 5.309 4.550 -0.001 0.000 0.339 410 Y C -1.174 174.200 175.900 -0.877 0.000 1.053 410 Y CA -1.838 55.779 58.100 -0.805 0.000 1.105 410 Y CB 1.008 39.239 38.460 -0.382 0.000 1.258 410 Y HN 0.391 nan 8.280 nan 0.000 0.478 411 F N 3.881 123.051 119.950 -1.300 0.000 2.361 411 F HA 0.519 5.046 4.527 0.001 0.000 0.364 411 F C -2.234 173.491 175.800 -0.124 0.000 1.120 411 F CA -2.514 55.096 58.000 -0.649 0.000 1.102 411 F CB 1.233 39.836 39.000 -0.661 0.000 1.183 411 F HN 0.340 nan 8.300 nan 0.000 0.476 412 P HA 0.141 nan 4.420 nan 0.000 0.272 412 P C -2.579 174.839 177.300 0.198 0.000 1.230 412 P CA -1.277 61.923 63.100 0.167 0.000 0.788 412 P CB 0.083 31.827 31.700 0.073 0.000 0.949 413 P HA -0.050 nan 4.420 nan 0.000 0.267 413 P C 1.183 178.573 177.300 0.150 0.000 1.195 413 P CA 1.572 64.781 63.100 0.181 0.000 0.773 413 P CB -0.069 31.719 31.700 0.147 0.000 0.837 414 G N 2.046 110.932 108.800 0.144 0.000 2.562 414 G HA2 -0.358 3.602 3.960 0.000 0.000 0.241 414 G HA3 -0.358 3.602 3.960 0.000 0.000 0.241 414 G C 1.127 176.078 174.900 0.084 0.000 1.120 414 G CA 0.446 45.601 45.100 0.091 0.000 0.673 414 G HN 0.458 nan 8.290 nan 0.000 0.519 415 I N 0.632 121.298 120.570 0.160 0.000 2.264 415 I HA -0.160 4.010 4.170 0.000 0.000 0.248 415 I C 2.680 178.958 176.117 0.268 0.000 1.111 415 I CA 2.543 63.970 61.300 0.212 0.000 1.382 415 I CB -1.114 36.995 38.000 0.181 0.000 1.060 415 I HN 0.493 nan 8.210 nan 0.000 0.418 416 M N 1.175 120.973 119.600 0.331 0.000 2.132 416 M HA -0.167 4.313 4.480 0.000 0.000 0.263 416 M C 2.289 178.665 176.300 0.126 0.000 1.065 416 M CA 2.304 57.745 55.300 0.236 0.000 1.122 416 M CB -0.722 31.919 32.600 0.070 0.000 1.365 416 M HN 0.367 nan 8.290 nan 0.000 0.411 417 T N -2.268 112.338 114.554 0.088 0.000 2.942 417 T HA -0.085 4.265 4.350 0.000 0.000 0.265 417 T C 1.857 176.491 174.700 -0.110 0.000 1.062 417 T CA 1.318 63.440 62.100 0.036 0.000 1.139 417 T CB -0.434 68.462 68.868 0.047 0.000 0.883 417 T HN 0.602 nan 8.240 nan 0.000 0.468 418 Q N -0.535 119.138 119.800 -0.211 0.000 2.123 418 Q HA 0.074 4.415 4.340 0.000 0.000 0.196 418 Q C 1.106 176.708 176.000 -0.663 0.000 0.958 418 Q CA 1.002 56.487 55.803 -0.530 0.000 0.841 418 Q CB 0.155 28.408 28.738 -0.809 0.000 0.915 418 Q HN 0.785 nan 8.270 nan 0.000 0.455 419 Y N -2.898 117.359 120.300 -0.073 0.000 2.425 419 Y HA 0.283 4.833 4.550 0.000 0.000 0.261 419 Y C 1.916 177.710 175.900 -0.176 0.000 1.084 419 Y CA -0.132 57.892 58.100 -0.126 0.000 1.248 419 Y CB 0.376 38.773 38.460 -0.105 0.000 1.270 419 Y HN 0.167 nan 8.280 nan 0.000 0.524 420 G N 2.039 110.849 108.800 0.016 0.000 2.517 420 G HA2 -0.316 3.645 3.960 0.000 0.000 0.222 420 G HA3 -0.316 3.645 3.960 0.000 0.000 0.222 420 G C 1.602 176.143 174.900 -0.600 0.000 1.109 420 G CA 1.246 46.322 45.100 -0.040 0.000 0.746 420 G HN 0.445 nan 8.290 nan 0.000 0.576 421 R N 0.508 120.407 120.500 -1.001 0.000 2.357 421 R HA 0.051 4.391 4.340 0.000 0.000 0.202 421 R C 1.373 177.204 176.300 -0.782 0.000 1.047 421 R CA 1.331 56.402 56.100 -1.714 0.000 1.034 421 R CB -0.449 28.838 30.300 -1.688 0.000 0.875 421 R HN 0.556 nan 8.270 nan 0.000 0.473 422 V N -2.224 117.428 119.914 -0.437 0.000 3.276 422 V HA 0.182 4.302 4.120 0.000 0.000 0.319 422 V C 1.437 177.412 176.094 -0.198 0.000 1.427 422 V CA -0.507 61.643 62.300 -0.251 0.000 1.102 422 V CB -0.218 31.471 31.823 -0.224 0.000 1.020 422 V HN 0.062 nan 8.190 nan 0.000 0.456 423 I N 1.618 122.119 120.570 -0.116 0.000 2.236 423 I HA -0.197 3.973 4.170 0.000 0.000 0.249 423 I C 2.333 178.427 176.117 -0.038 0.000 1.102 423 I CA 2.441 63.721 61.300 -0.033 0.000 1.365 423 I CB -0.817 37.277 38.000 0.156 0.000 1.051 423 I HN 0.595 nan 8.210 nan 0.000 0.420 424 R N 0.835 121.367 120.500 0.053 0.000 2.535 424 R HA 0.276 4.617 4.340 0.000 0.000 0.323 424 R C 0.634 177.036 176.300 0.169 0.000 0.979 424 R CA -0.367 55.828 56.100 0.158 0.000 1.120 424 R CB -0.229 30.248 30.300 0.294 0.000 1.306 424 R HN 0.373 nan 8.270 nan 0.000 0.540 425 Q N 2.779 122.601 119.800 0.035 0.000 2.311 425 Q HA 0.204 4.544 4.340 0.000 0.000 0.272 425 Q C -2.045 173.993 176.000 0.063 0.000 1.012 425 Q CA -2.025 53.807 55.803 0.049 0.000 0.891 425 Q CB 0.864 29.581 28.738 -0.035 0.000 1.201 425 Q HN 0.022 nan 8.270 nan 0.000 0.391 426 P HA -0.056 nan 4.420 nan 0.000 0.268 426 P C -1.259 176.000 177.300 -0.068 0.000 1.208 426 P CA 0.012 63.041 63.100 -0.118 0.000 0.777 426 P CB 0.567 32.005 31.700 -0.436 0.000 0.875 427 V N 2.687 122.571 119.914 -0.050 0.000 2.305 427 V HA 0.472 4.592 4.120 0.000 0.000 0.275 427 V C 1.123 177.145 176.094 -0.120 0.000 1.020 427 V CA 0.493 62.762 62.300 -0.051 0.000 0.811 427 V CB 0.119 31.942 31.823 -0.000 0.000 1.031 427 V HN 1.012 nan 8.190 nan 0.000 0.439 428 G N 5.507 114.242 108.800 -0.109 0.000 2.620 428 G HA2 -0.339 3.621 3.960 0.000 0.000 0.315 428 G HA3 -0.339 3.621 3.960 0.000 0.000 0.315 428 G C 0.763 175.583 174.900 -0.134 0.000 1.179 428 G CA 0.859 45.908 45.100 -0.084 0.000 0.971 428 G HN 0.602 nan 8.290 nan 0.000 0.544 429 R N 0.225 120.667 120.500 -0.095 0.000 2.507 429 R HA 0.407 4.747 4.340 0.000 0.000 0.298 429 R C 0.251 176.548 176.300 -0.005 0.000 0.999 429 R CA -0.168 55.936 56.100 0.008 0.000 1.082 429 R CB 0.209 30.462 30.300 -0.077 0.000 1.246 429 R HN 0.441 nan 8.270 nan 0.000 0.553 430 I N 1.363 121.791 120.570 -0.237 0.000 2.315 430 I HA 0.243 4.413 4.170 0.000 0.000 0.291 430 I C -0.402 175.326 176.117 -0.648 0.000 1.006 430 I CA -0.416 60.703 61.300 -0.302 0.000 1.265 430 I CB 0.655 38.476 38.000 -0.298 0.000 1.387 430 I HN -0.177 nan 8.210 nan 0.000 0.475 431 F N 5.522 125.324 119.950 -0.247 0.000 2.458 431 F HA 0.570 5.097 4.527 0.000 0.000 0.330 431 F C -0.292 175.303 175.800 -0.341 0.000 1.082 431 F CA -0.585 57.333 58.000 -0.138 0.000 0.995 431 F CB 1.291 40.267 39.000 -0.039 0.000 1.170 431 F HN 0.148 nan 8.300 nan 0.000 0.478 432 F N 1.230 121.283 119.950 0.172 0.000 2.482 432 F HA 0.754 5.281 4.527 -0.000 0.000 0.331 432 F C 0.307 176.182 175.800 0.126 0.000 1.115 432 F CA -0.576 57.495 58.000 0.118 0.000 0.955 432 F CB 1.494 40.535 39.000 0.068 0.000 1.136 432 F HN 0.595 nan 8.300 nan 0.000 0.452 433 A N 1.514 124.484 122.820 0.251 0.000 3.423 433 A HA 0.983 5.303 4.320 0.000 0.000 0.226 433 A C -0.044 177.658 177.584 0.197 0.000 1.055 433 A CA -0.540 51.608 52.037 0.184 0.000 0.786 433 A CB 0.692 19.754 19.000 0.103 0.000 1.400 433 A HN 1.693 nan 8.150 nan 0.000 0.673 434 G N -2.156 106.739 108.800 0.159 0.000 2.788 434 G HA2 0.190 4.150 3.960 0.000 0.000 0.686 434 G HA3 0.190 4.150 3.960 0.000 0.000 0.686 434 G C 0.426 175.447 174.900 0.201 0.000 1.147 434 G CA 0.653 45.853 45.100 0.167 0.000 0.755 434 G HN 1.633 nan 8.290 nan 0.000 0.634 435 T N 0.249 114.924 114.554 0.203 0.000 2.778 435 T HA -0.134 4.216 4.350 0.000 0.000 0.269 435 T C 2.151 177.049 174.700 0.330 0.000 1.050 435 T CA 2.758 65.011 62.100 0.255 0.000 1.137 435 T CB -0.199 68.818 68.868 0.249 0.000 0.860 435 T HN 0.649 nan 8.240 nan 0.000 0.468 436 E N 0.612 121.003 120.200 0.320 0.000 2.331 436 E HA -0.065 4.285 4.350 0.000 0.000 0.199 436 E C 2.123 178.955 176.600 0.387 0.000 1.008 436 E CA 1.448 58.076 56.400 0.380 0.000 0.843 436 E CB -0.307 29.564 29.700 0.286 0.000 0.761 436 E HN 0.711 nan 8.360 nan 0.000 0.507 437 T N -2.779 111.975 114.554 0.334 0.000 3.122 437 T HA 0.509 4.859 4.350 0.000 0.000 0.250 437 T C 0.729 175.657 174.700 0.380 0.000 1.067 437 T CA -0.056 62.247 62.100 0.338 0.000 0.966 437 T CB 0.194 69.239 68.868 0.296 0.000 1.002 437 T HN 0.100 nan 8.240 nan 0.000 0.542 438 A N 1.531 124.588 122.820 0.395 0.000 2.313 438 A HA 0.580 4.900 4.320 0.000 0.000 0.261 438 A C 1.377 179.237 177.584 0.459 0.000 1.090 438 A CA -0.028 52.241 52.037 0.386 0.000 0.807 438 A CB 0.484 19.680 19.000 0.326 0.000 1.055 438 A HN 0.502 nan 8.150 nan 0.000 0.492 439 T N -2.385 112.406 114.554 0.396 0.000 3.040 439 T HA 0.324 4.674 4.350 0.000 0.000 0.266 439 T C 0.182 174.958 174.700 0.127 0.000 1.005 439 T CA 0.073 62.390 62.100 0.361 0.000 0.906 439 T CB -0.140 68.902 68.868 0.290 0.000 1.082 439 T HN 0.589 nan 8.240 nan 0.000 0.531 440 K N 0.236 120.694 120.400 0.096 0.000 2.565 440 K HA 0.334 4.654 4.320 0.000 0.000 0.249 440 K C -1.310 175.316 176.600 0.043 0.000 0.958 440 K CA -0.772 55.480 56.287 -0.058 0.000 0.806 440 K CB 1.100 33.625 32.500 0.042 0.000 1.194 440 K HN 0.244 nan 8.250 nan 0.000 0.434 441 W N 1.257 122.397 121.300 -0.268 0.000 5.538 441 W HA -0.249 4.411 4.660 -0.000 0.000 0.377 441 W C 0.387 176.937 176.519 0.050 0.000 1.406 441 W CA 0.723 57.894 57.345 -0.290 0.000 0.940 441 W CB -1.847 27.390 29.460 -0.371 0.000 2.536 441 W HN 0.460 nan 8.180 nan 0.000 1.504 442 S N 0.618 116.414 115.700 0.160 0.000 2.575 442 S HA 0.352 4.822 4.470 0.000 0.000 0.295 442 S C 1.356 176.246 174.600 0.484 0.000 1.267 442 S CA 1.749 60.159 58.200 0.351 0.000 1.074 442 S CB 0.498 63.991 63.200 0.487 0.000 0.829 442 S HN 1.381 nan 8.310 nan 0.000 0.497 443 G N 3.451 112.559 108.800 0.514 0.000 2.201 443 G HA2 -0.179 3.781 3.960 0.000 0.000 0.212 443 G HA3 -0.179 3.781 3.960 0.000 0.000 0.212 443 G C -0.272 174.730 174.900 0.169 0.000 0.994 443 G CA 0.002 45.378 45.100 0.461 0.000 0.644 443 G HN 0.673 nan 8.290 nan 0.000 0.508 444 Y N -0.528 119.911 120.300 0.232 0.000 2.587 444 Y HA 0.692 5.242 4.550 0.000 0.000 0.337 444 Y C 1.898 177.857 175.900 0.099 0.000 1.065 444 Y CA -0.804 57.380 58.100 0.139 0.000 1.126 444 Y CB 1.103 39.660 38.460 0.162 0.000 1.279 444 Y HN -0.032 nan 8.280 nan 0.000 0.489 445 M N 0.005 119.729 119.600 0.207 0.000 2.144 445 M HA -0.221 4.259 4.480 0.000 0.000 0.260 445 M C 1.845 178.229 176.300 0.140 0.000 1.067 445 M CA 1.948 57.334 55.300 0.143 0.000 1.095 445 M CB -0.195 32.481 32.600 0.127 0.000 1.365 445 M HN 0.793 nan 8.290 nan 0.000 0.406 446 E N 0.628 120.904 120.200 0.127 0.000 2.038 446 E HA -0.158 4.192 4.350 0.000 0.000 0.195 446 E C 1.954 178.660 176.600 0.176 0.000 1.000 446 E CA 2.087 58.539 56.400 0.086 0.000 0.803 446 E CB -0.659 28.998 29.700 -0.072 0.000 0.750 446 E HN 0.430 nan 8.360 nan 0.000 0.448 447 G N -0.027 108.935 108.800 0.270 0.000 2.422 447 G HA2 -0.191 3.769 3.960 0.000 0.000 0.218 447 G HA3 -0.191 3.769 3.960 0.000 0.000 0.218 447 G C 1.707 176.738 174.900 0.218 0.000 1.140 447 G CA 0.992 46.256 45.100 0.272 0.000 0.775 447 G HN 0.470 nan 8.290 nan 0.000 0.545 448 A N 0.258 123.194 122.820 0.192 0.000 1.908 448 A HA 0.036 4.356 4.320 0.000 0.000 0.218 448 A C 2.590 180.239 177.584 0.108 0.000 1.181 448 A CA 1.911 54.036 52.037 0.146 0.000 0.627 448 A CB -0.565 18.508 19.000 0.121 0.000 0.818 448 A HN 0.267 nan 8.150 nan 0.000 0.445 449 V N -0.074 119.898 119.914 0.098 0.000 2.358 449 V HA -0.228 3.892 4.120 0.000 0.000 0.246 449 V C 2.510 178.643 176.094 0.066 0.000 1.047 449 V CA 2.098 64.438 62.300 0.066 0.000 1.035 449 V CB -0.702 31.155 31.823 0.058 0.000 0.658 449 V HN 0.735 nan 8.190 nan 0.000 0.452 450 E N 0.572 120.832 120.200 0.100 0.000 2.031 450 E HA -0.245 4.105 4.350 0.000 0.000 0.193 450 E C 2.256 178.896 176.600 0.067 0.000 0.994 450 E CA 1.614 58.076 56.400 0.102 0.000 0.800 450 E CB -0.172 29.630 29.700 0.169 0.000 0.752 450 E HN 0.533 nan 8.360 nan 0.000 0.447 451 A N 0.757 123.641 122.820 0.107 0.000 1.898 451 A HA -0.064 4.256 4.320 0.000 0.000 0.216 451 A C 2.413 180.018 177.584 0.035 0.000 1.181 451 A CA 1.707 53.802 52.037 0.097 0.000 0.620 451 A CB -1.083 18.018 19.000 0.168 0.000 0.819 451 A HN 0.451 nan 8.150 nan 0.000 0.442 452 G N -0.310 108.514 108.800 0.039 0.000 2.421 452 G HA2 -0.216 3.744 3.960 0.000 0.000 0.216 452 G HA3 -0.216 3.744 3.960 0.000 0.000 0.216 452 G C 1.413 176.288 174.900 -0.041 0.000 1.171 452 G CA 0.975 46.080 45.100 0.008 0.000 0.775 452 G HN 0.654 nan 8.290 nan 0.000 0.543 453 E N -0.270 119.902 120.200 -0.047 0.000 2.208 453 E HA -0.026 4.324 4.350 0.000 0.000 0.193 453 E C 2.469 178.970 176.600 -0.165 0.000 0.988 453 E CA 0.146 56.496 56.400 -0.083 0.000 0.828 453 E CB -0.010 29.664 29.700 -0.044 0.000 0.763 453 E HN 0.350 nan 8.360 nan 0.000 0.478 454 R N 1.036 121.409 120.500 -0.212 0.000 2.100 454 R HA 0.022 4.362 4.340 0.000 0.000 0.220 454 R C 2.129 178.215 176.300 -0.358 0.000 1.091 454 R CA 1.042 56.897 56.100 -0.408 0.000 0.986 454 R CB -0.072 29.831 30.300 -0.661 0.000 0.888 454 R HN 0.104 nan 8.270 nan 0.000 0.444 455 A N 1.266 123.962 122.820 -0.207 0.000 1.877 455 A HA -0.076 4.244 4.320 0.000 0.000 0.216 455 A C 2.403 179.830 177.584 -0.263 0.000 1.186 455 A CA 1.700 53.651 52.037 -0.144 0.000 0.620 455 A CB -0.765 18.227 19.000 -0.013 0.000 0.822 455 A HN 0.502 nan 8.150 nan 0.000 0.443 456 A N -0.253 122.431 122.820 -0.225 0.000 1.908 456 A HA -0.202 4.118 4.320 0.000 0.000 0.218 456 A C 2.251 179.607 177.584 -0.380 0.000 1.181 456 A CA 1.675 53.550 52.037 -0.270 0.000 0.627 456 A CB -0.493 18.391 19.000 -0.193 0.000 0.818 456 A HN 0.551 nan 8.150 nan 0.000 0.445 457 R N -0.530 119.756 120.500 -0.356 0.000 2.115 457 R HA -0.109 4.231 4.340 0.000 0.000 0.230 457 R C 2.100 178.149 176.300 -0.419 0.000 1.111 457 R CA 1.428 57.299 56.100 -0.381 0.000 0.976 457 R CB -0.261 29.853 30.300 -0.310 0.000 0.870 457 R HN 0.698 nan 8.270 nan 0.000 0.445 458 E N 0.009 119.931 120.200 -0.463 0.000 2.077 458 E HA -0.163 4.187 4.350 0.000 0.000 0.193 458 E C 2.015 178.086 176.600 -0.882 0.000 0.989 458 E CA 1.342 57.416 56.400 -0.542 0.000 0.800 458 E CB 0.028 29.452 29.700 -0.459 0.000 0.746 458 E HN 0.088 nan 8.360 nan 0.000 0.452 459 V N 1.411 120.695 119.914 -1.050 0.000 2.343 459 V HA -0.250 3.870 4.120 0.000 0.000 0.247 459 V C 2.306 177.917 176.094 -0.805 0.000 1.051 459 V CA 1.449 63.083 62.300 -1.110 0.000 1.036 459 V CB -0.384 30.933 31.823 -0.845 0.000 0.654 459 V HN 0.255 nan 8.190 nan 0.000 0.451 460 L N 0.273 121.142 121.223 -0.591 0.000 2.083 460 L HA -0.204 4.136 4.340 0.000 0.000 0.209 460 L C 2.359 179.004 176.870 -0.376 0.000 1.083 460 L CA 2.074 56.619 54.840 -0.491 0.000 0.752 460 L CB -0.700 40.990 42.059 -0.615 0.000 0.899 460 L HN 0.454 nan 8.230 nan 0.000 0.433 461 N N 0.120 118.608 118.700 -0.353 0.000 2.309 461 N HA -0.128 4.612 4.740 0.000 0.000 0.182 461 N C 1.823 177.232 175.510 -0.169 0.000 1.018 461 N CA 1.217 54.138 53.050 -0.215 0.000 0.876 461 N CB -0.071 38.316 38.487 -0.167 0.000 0.972 461 N HN 0.217 nan 8.380 nan 0.000 0.434 462 G N 0.201 108.836 108.800 -0.274 0.000 2.408 462 G HA2 -0.120 3.840 3.960 0.000 0.000 0.217 462 G HA3 -0.120 3.840 3.960 0.000 0.000 0.217 462 G C 1.291 176.166 174.900 -0.041 0.000 1.150 462 G CA 0.419 45.456 45.100 -0.104 0.000 0.776 462 G HN 0.328 nan 8.290 nan 0.000 0.542 463 L N 0.641 121.749 121.223 -0.192 0.000 2.622 463 L HA 0.205 4.545 4.340 0.000 0.000 0.233 463 L C 1.954 178.806 176.870 -0.030 0.000 1.156 463 L CA 0.409 55.211 54.840 -0.063 0.000 0.866 463 L CB -0.270 41.719 42.059 -0.117 0.000 0.980 463 L HN 0.369 nan 8.230 nan 0.000 0.448 464 G N 0.697 109.468 108.800 -0.049 0.000 2.176 464 G HA2 -0.290 3.670 3.960 0.000 0.000 0.252 464 G HA3 -0.290 3.670 3.960 0.000 0.000 0.252 464 G C 0.736 175.624 174.900 -0.021 0.000 1.024 464 G CA 0.470 45.558 45.100 -0.020 0.000 0.755 464 G HN 0.498 nan 8.290 nan 0.000 0.507 465 K N -1.345 119.018 120.400 -0.060 0.000 2.380 465 K HA 0.468 4.788 4.320 0.000 0.000 0.198 465 K C 0.356 176.937 176.600 -0.032 0.000 1.070 465 K CA 0.107 56.383 56.287 -0.019 0.000 1.040 465 K CB 1.720 34.210 32.500 -0.017 0.000 0.903 465 K HN 0.268 nan 8.250 nan 0.000 0.549 466 V N 2.113 121.965 119.914 -0.103 0.000 2.841 466 V HA 0.146 4.266 4.120 0.000 0.000 0.310 466 V C -0.205 175.857 176.094 -0.053 0.000 1.090 466 V CA -0.897 61.351 62.300 -0.087 0.000 0.930 466 V CB 2.254 33.956 31.823 -0.201 0.000 1.014 466 V HN 0.327 nan 8.190 nan 0.000 0.425 467 T N 0.114 114.660 114.554 -0.012 0.000 2.868 467 T HA 0.207 4.558 4.350 0.000 0.000 0.292 467 T C 1.059 175.766 174.700 0.013 0.000 1.028 467 T CA 0.080 62.185 62.100 0.008 0.000 1.059 467 T CB 1.113 69.998 68.868 0.027 0.000 0.991 467 T HN 0.824 nan 8.240 nan 0.000 0.531 468 E N 0.772 120.992 120.200 0.033 0.000 2.130 468 E HA -0.259 4.091 4.350 0.000 0.000 0.196 468 E C 2.005 178.664 176.600 0.099 0.000 0.998 468 E CA 1.391 57.829 56.400 0.064 0.000 0.806 468 E CB -0.075 29.670 29.700 0.075 0.000 0.738 468 E HN 0.772 nan 8.360 nan 0.000 0.459 469 K N 0.121 120.571 120.400 0.084 0.000 2.211 469 K HA -0.150 4.170 4.320 0.000 0.000 0.203 469 K C 0.941 177.608 176.600 0.111 0.000 1.050 469 K CA 1.535 57.883 56.287 0.101 0.000 0.945 469 K CB 0.134 32.678 32.500 0.072 0.000 0.732 469 K HN 0.057 nan 8.250 nan 0.000 0.451 470 D N 0.560 121.003 120.400 0.070 0.000 2.355 470 D HA 0.023 4.664 4.640 0.000 0.000 0.218 470 D C 1.532 177.839 176.300 0.011 0.000 1.004 470 D CA 0.276 54.306 54.000 0.049 0.000 0.880 470 D CB 0.121 40.938 40.800 0.028 0.000 0.911 470 D HN 0.261 nan 8.370 nan 0.000 0.528 471 I N -0.626 119.946 120.570 0.003 0.000 2.226 471 I HA -0.182 3.988 4.170 0.000 0.000 0.245 471 I C 0.287 176.237 176.117 -0.279 0.000 1.100 471 I CA 0.943 62.148 61.300 -0.158 0.000 1.374 471 I CB 0.069 37.975 38.000 -0.156 0.000 1.057 471 I HN -0.006 nan 8.210 nan 0.000 0.413 472 W N 0.718 122.031 121.300 0.022 0.000 2.282 472 W HA 0.490 5.150 4.660 -0.000 0.000 0.322 472 W C -0.647 175.890 176.519 0.030 0.000 1.011 472 W CA -0.515 56.850 57.345 0.033 0.000 1.392 472 W CB 0.554 30.039 29.460 0.043 0.000 1.215 472 W HN -0.386 nan 8.180 nan 0.000 0.394 473 V N 3.564 123.586 119.914 0.180 0.000 2.472 473 V HA 0.257 4.377 4.120 0.000 0.000 0.290 473 V C 0.381 176.556 176.094 0.135 0.000 1.037 473 V CA -1.167 61.209 62.300 0.128 0.000 0.908 473 V CB 1.415 33.281 31.823 0.071 0.000 0.985 473 V HN 0.356 nan 8.190 nan 0.000 0.454 474 Q N 2.032 121.898 119.800 0.109 0.000 2.304 474 Q HA 0.209 4.549 4.340 0.000 0.000 0.260 474 Q C -0.387 175.657 176.000 0.073 0.000 0.965 474 Q CA -0.301 55.557 55.803 0.092 0.000 0.898 474 Q CB 1.399 30.179 28.738 0.071 0.000 1.196 474 Q HN 0.706 nan 8.270 nan 0.000 0.402 475 E N 4.439 124.682 120.200 0.072 0.000 2.223 475 E HA 0.221 4.571 4.350 0.000 0.000 0.282 475 E C -2.318 174.309 176.600 0.045 0.000 1.046 475 E CA -1.762 54.672 56.400 0.057 0.000 0.857 475 E CB 0.650 30.386 29.700 0.059 0.000 1.055 475 E HN 0.225 nan 8.360 nan 0.000 0.409 476 P HA -0.028 nan 4.420 nan 0.000 0.266 476 P C -0.612 176.704 177.300 0.026 0.000 1.195 476 P CA 0.028 63.145 63.100 0.028 0.000 0.768 476 P CB 0.441 32.155 31.700 0.023 0.000 0.838 477 E N 1.788 122.001 120.200 0.022 0.000 2.414 477 E HA 0.055 4.405 4.350 0.000 0.000 0.263 477 E C -0.109 176.499 176.600 0.013 0.000 1.000 477 E CA -0.260 56.151 56.400 0.018 0.000 0.914 477 E CB 0.397 30.106 29.700 0.015 0.000 0.948 477 E HN 0.371 nan 8.360 nan 0.000 0.444 478 S N 3.367 119.072 115.700 0.009 0.000 2.537 478 S HA 0.013 4.483 4.470 0.000 0.000 0.286 478 S C 0.780 175.383 174.600 0.004 0.000 1.299 478 S CA -0.047 58.157 58.200 0.006 0.000 1.067 478 S CB 0.808 64.007 63.200 -0.002 0.000 0.864 478 S HN 0.616 nan 8.310 nan 0.000 0.494 479 K N 2.523 122.927 120.400 0.007 0.000 2.228 479 K HA 0.026 4.346 4.320 0.000 0.000 0.202 479 K C 1.149 177.752 176.600 0.005 0.000 1.051 479 K CA 1.269 57.560 56.287 0.006 0.000 0.960 479 K CB 0.119 32.623 32.500 0.008 0.000 0.743 479 K HN 0.642 nan 8.250 nan 0.000 0.458 480 D N -0.546 119.857 120.400 0.006 0.000 2.249 480 D HA -0.033 4.607 4.640 0.000 0.000 0.205 480 D C -0.054 176.245 176.300 -0.003 0.000 0.962 480 D CA 0.829 54.833 54.000 0.006 0.000 0.860 480 D CB 0.663 41.471 40.800 0.014 0.000 0.955 480 D HN -0.094 nan 8.370 nan 0.000 0.505 481 V N 3.534 123.441 119.914 -0.011 0.000 2.384 481 V HA 0.184 4.304 4.120 0.000 0.000 0.257 481 V C -2.414 173.666 176.094 -0.023 0.000 0.969 481 V CA -1.271 61.013 62.300 -0.027 0.000 0.910 481 V CB 1.454 33.247 31.823 -0.049 0.000 1.150 481 V HN -0.055 nan 8.190 nan 0.000 0.481 482 P HA 0.223 nan 4.420 nan 0.000 0.272 482 P C -0.183 177.111 177.300 -0.009 0.000 1.223 482 P CA 0.031 63.127 63.100 -0.007 0.000 0.784 482 P CB 1.348 33.047 31.700 -0.003 0.000 0.923 483 A N 3.405 126.224 122.820 -0.002 0.000 2.527 483 A HA 0.267 4.587 4.320 0.000 0.000 0.313 483 A C 0.303 177.888 177.584 0.002 0.000 1.410 483 A CA -0.495 51.544 52.037 0.004 0.000 1.060 483 A CB -0.704 18.306 19.000 0.016 0.000 1.137 483 A HN 0.376 nan 8.150 nan 0.000 0.542 484 V N 4.168 124.080 119.914 -0.002 0.000 2.485 484 V HA -0.012 4.108 4.120 0.000 0.000 0.287 484 V C 0.995 177.086 176.094 -0.005 0.000 1.022 484 V CA -0.039 62.259 62.300 -0.004 0.000 1.067 484 V CB 0.360 32.180 31.823 -0.005 0.000 0.967 484 V HN 0.861 nan 8.190 nan 0.000 0.479 485 E N 3.629 123.825 120.200 -0.007 0.000 2.481 485 E HA 0.049 4.399 4.350 0.000 0.000 0.263 485 E C -0.300 176.282 176.600 -0.030 0.000 0.992 485 E CA 0.192 56.584 56.400 -0.013 0.000 0.938 485 E CB 0.791 30.485 29.700 -0.010 0.000 0.933 485 E HN 0.469 nan 8.360 nan 0.000 0.453 486 I N 2.742 123.286 120.570 -0.044 0.000 2.342 486 I HA 0.026 4.196 4.170 0.000 0.000 0.291 486 I C 0.548 176.563 176.117 -0.170 0.000 1.010 486 I CA 0.010 61.248 61.300 -0.105 0.000 1.308 486 I CB 1.105 39.048 38.000 -0.095 0.000 1.400 486 I HN 0.361 nan 8.210 nan 0.000 0.488 487 T N 2.846 117.265 114.554 -0.225 0.000 2.859 487 T HA 0.510 4.860 4.350 0.000 0.000 0.281 487 T C -0.468 173.991 174.700 -0.401 0.000 1.005 487 T CA -0.825 61.161 62.100 -0.191 0.000 1.025 487 T CB 1.146 69.972 68.868 -0.070 0.000 0.977 487 T HN 0.372 nan 8.240 nan 0.000 0.458 488 H N 1.502 120.592 119.070 0.032 0.000 2.529 488 H HA 0.356 4.912 4.556 0.000 0.000 0.348 488 H C 0.526 175.887 175.328 0.056 0.000 1.079 488 H CA -0.678 55.394 56.048 0.040 0.000 1.198 488 H CB 1.631 31.401 29.762 0.013 0.000 1.521 488 H HN 0.977 nan 8.280 nan 0.000 0.514 489 T N -0.331 114.339 114.554 0.194 0.000 2.906 489 T HA -0.146 4.204 4.350 0.000 0.000 0.329 489 T C 1.427 176.226 174.700 0.164 0.000 1.091 489 T CA -0.263 61.955 62.100 0.197 0.000 1.127 489 T CB 0.360 69.385 68.868 0.261 0.000 1.035 489 T HN 0.505 nan 8.240 nan 0.000 0.547 490 F N 1.273 121.204 119.950 -0.030 0.000 2.111 490 F HA -0.129 4.398 4.527 0.000 0.000 0.300 490 F C 1.796 177.492 175.800 -0.174 0.000 1.088 490 F CA 1.375 59.263 58.000 -0.187 0.000 1.243 490 F CB -0.594 38.159 39.000 -0.412 0.000 0.996 490 F HN 0.735 nan 8.300 nan 0.000 0.483 491 W N 0.615 121.921 121.300 0.009 0.000 2.388 491 W HA -0.057 4.603 4.660 0.000 0.000 0.294 491 W C 2.448 178.921 176.519 -0.076 0.000 1.212 491 W CA 1.079 58.383 57.345 -0.068 0.000 1.271 491 W CB -0.540 28.980 29.460 0.100 0.000 1.126 491 W HN 0.032 nan 8.180 nan 0.000 0.535 492 E N 0.343 120.668 120.200 0.208 0.000 2.051 492 E HA -0.205 4.145 4.350 0.000 0.000 0.192 492 E C 2.152 178.718 176.600 -0.057 0.000 0.991 492 E CA 1.345 57.803 56.400 0.097 0.000 0.799 492 E CB -0.212 29.580 29.700 0.152 0.000 0.748 492 E HN 0.227 nan 8.360 nan 0.000 0.449 493 R N 0.218 120.652 120.500 -0.110 0.000 2.091 493 R HA -0.075 4.265 4.340 0.000 0.000 0.238 493 R C 1.686 177.838 176.300 -0.245 0.000 1.136 493 R CA 1.344 57.331 56.100 -0.188 0.000 0.959 493 R CB -0.064 30.120 30.300 -0.193 0.000 0.856 493 R HN 0.201 nan 8.270 nan 0.000 0.437 494 N N -0.310 118.176 118.700 -0.356 0.000 2.397 494 N HA 0.087 4.827 4.740 0.000 0.000 0.190 494 N C 0.239 175.652 175.510 -0.162 0.000 1.099 494 N CA -0.017 52.805 53.050 -0.381 0.000 0.876 494 N CB 0.613 38.613 38.487 -0.812 0.000 1.143 494 N HN 0.046 nan 8.380 nan 0.000 0.468 495 L N 3.842 125.054 121.223 -0.017 0.000 2.525 495 L HA 0.067 4.407 4.340 0.000 0.000 0.278 495 L C -1.820 175.044 176.870 -0.010 0.000 1.218 495 L CA -0.826 54.063 54.840 0.082 0.000 0.878 495 L CB 0.079 42.242 42.059 0.174 0.000 1.127 495 L HN -0.029 nan 8.230 nan 0.000 0.492 496 P HA 0.154 nan 4.420 nan 0.000 0.279 496 P C -0.587 176.676 177.300 -0.061 0.000 1.252 496 P CA -0.624 62.449 63.100 -0.045 0.000 0.811 496 P CB 1.359 33.039 31.700 -0.034 0.000 1.035 497 S N 0.573 116.222 115.700 -0.085 0.000 2.598 497 S HA 0.037 4.507 4.470 0.000 0.000 0.256 497 S C 1.554 176.106 174.600 -0.079 0.000 1.350 497 S CA -0.456 57.687 58.200 -0.097 0.000 0.984 497 S CB -0.564 62.574 63.200 -0.103 0.000 0.930 497 S HN 0.244 nan 8.310 nan 0.000 0.577 498 V N 1.727 121.596 119.914 -0.076 0.000 2.261 498 V HA -0.179 3.941 4.120 0.000 0.000 0.246 498 V C 3.056 179.080 176.094 -0.117 0.000 1.047 498 V CA 2.427 64.672 62.300 -0.090 0.000 1.015 498 V CB -1.603 30.181 31.823 -0.065 0.000 0.642 498 V HN 1.085 nan 8.190 nan 0.000 0.446 499 S N 0.668 116.305 115.700 -0.104 0.000 2.419 499 S HA -0.098 4.372 4.470 0.000 0.000 0.233 499 S C 2.070 176.621 174.600 -0.082 0.000 1.016 499 S CA 1.335 59.474 58.200 -0.100 0.000 0.974 499 S CB -0.881 62.271 63.200 -0.080 0.000 0.786 499 S HN 0.563 nan 8.310 nan 0.000 0.492 500 G N 2.167 110.921 108.800 -0.076 0.000 2.421 500 G HA2 -0.146 3.814 3.960 0.000 0.000 0.216 500 G HA3 -0.146 3.814 3.960 0.000 0.000 0.216 500 G C 1.314 176.179 174.900 -0.059 0.000 1.171 500 G CA 0.981 46.041 45.100 -0.068 0.000 0.775 500 G HN 0.470 nan 8.290 nan 0.000 0.543 501 L N 0.580 121.769 121.223 -0.058 0.000 2.051 501 L HA -0.087 4.253 4.340 0.000 0.000 0.214 501 L C 2.751 179.592 176.870 -0.048 0.000 1.076 501 L CA 1.555 56.366 54.840 -0.048 0.000 0.758 501 L CB -0.458 41.566 42.059 -0.058 0.000 0.890 501 L HN 0.252 nan 8.230 nan 0.000 0.433 502 L N -1.136 120.044 121.223 -0.071 0.000 2.093 502 L HA -0.210 4.130 4.340 0.000 0.000 0.208 502 L C 2.526 179.378 176.870 -0.031 0.000 1.085 502 L CA 1.343 56.143 54.840 -0.067 0.000 0.755 502 L CB -0.560 41.439 42.059 -0.099 0.000 0.904 502 L HN 0.242 nan 8.230 nan 0.000 0.435 503 K N 0.093 120.472 120.400 -0.035 0.000 2.211 503 K HA -0.085 4.235 4.320 0.000 0.000 0.203 503 K C 1.986 178.591 176.600 0.009 0.000 1.050 503 K CA 1.110 57.386 56.287 -0.018 0.000 0.945 503 K CB -0.017 32.455 32.500 -0.046 0.000 0.732 503 K HN 0.301 nan 8.250 nan 0.000 0.451 504 I N 0.555 121.124 120.570 -0.002 0.000 2.296 504 I HA -0.181 3.989 4.170 0.000 0.000 0.242 504 I C 2.179 178.356 176.117 0.100 0.000 1.087 504 I CA 0.772 62.089 61.300 0.029 0.000 1.393 504 I CB -0.160 37.841 38.000 0.002 0.000 1.093 504 I HN 0.022 nan 8.210 nan 0.000 0.421 505 I N 1.256 121.856 120.570 0.050 0.000 2.236 505 I HA -0.287 3.883 4.170 0.000 0.000 0.249 505 I C 2.360 178.516 176.117 0.064 0.000 1.102 505 I CA 1.799 63.127 61.300 0.046 0.000 1.365 505 I CB -0.562 37.441 38.000 0.004 0.000 1.051 505 I HN 0.314 nan 8.210 nan 0.000 0.420 506 G N -0.949 107.896 108.800 0.075 0.000 2.744 506 G HA2 -0.175 3.785 3.960 0.000 0.000 0.211 506 G HA3 -0.175 3.785 3.960 0.000 0.000 0.211 506 G C 1.308 176.293 174.900 0.141 0.000 1.143 506 G CA -0.046 45.101 45.100 0.078 0.000 0.788 506 G HN 0.253 nan 8.290 nan 0.000 0.534 507 F N 0.990 120.936 119.950 -0.007 0.000 2.222 507 F HA 0.117 4.644 4.527 0.000 0.000 0.285 507 F C 2.854 178.656 175.800 0.004 0.000 1.068 507 F CA 1.164 59.164 58.000 -0.000 0.000 1.265 507 F CB -0.437 38.563 39.000 -0.001 0.000 1.087 507 F HN 0.155 nan 8.300 nan 0.000 0.511 508 S N -0.610 115.202 115.700 0.188 0.000 2.393 508 S HA -0.304 4.166 4.470 0.000 0.000 0.234 508 S C 2.060 176.668 174.600 0.013 0.000 1.064 508 S CA 2.577 60.824 58.200 0.078 0.000 1.088 508 S CB -0.812 62.433 63.200 0.076 0.000 0.939 508 S HN 0.519 nan 8.310 nan 0.000 0.448 509 T N 0.848 115.413 114.554 0.017 0.000 2.809 509 T HA 0.023 4.373 4.350 0.000 0.000 0.260 509 T C 2.161 176.847 174.700 -0.023 0.000 1.039 509 T CA 1.335 63.438 62.100 0.004 0.000 1.141 509 T CB -0.591 68.284 68.868 0.012 0.000 0.869 509 T HN 0.448 nan 8.240 nan 0.000 0.437 510 S N 1.150 116.817 115.700 -0.055 0.000 2.372 510 S HA -0.155 4.315 4.470 0.000 0.000 0.227 510 S C 2.372 176.907 174.600 -0.109 0.000 1.044 510 S CA 1.767 59.912 58.200 -0.092 0.000 1.050 510 S CB -0.500 62.607 63.200 -0.155 0.000 0.901 510 S HN 0.553 nan 8.310 nan 0.000 0.447 511 V N -1.963 117.853 119.914 -0.164 0.000 2.685 511 V HA 0.044 4.164 4.120 0.000 0.000 0.244 511 V C 2.056 178.111 176.094 -0.065 0.000 1.054 511 V CA 1.469 63.677 62.300 -0.154 0.000 1.076 511 V CB -1.572 30.090 31.823 -0.268 0.000 0.725 511 V HN 0.292 nan 8.190 nan 0.000 0.467 512 T N 1.414 115.942 114.554 -0.044 0.000 2.721 512 T HA -0.230 4.120 4.350 0.000 0.000 0.268 512 T C 2.063 176.794 174.700 0.051 0.000 1.038 512 T CA 2.517 64.609 62.100 -0.014 0.000 1.145 512 T CB -0.544 68.323 68.868 -0.002 0.000 0.858 512 T HN 0.797 nan 8.240 nan 0.000 0.459 513 A N 0.725 123.580 122.820 0.057 0.000 1.873 513 A HA 0.064 4.385 4.320 0.000 0.000 0.215 513 A C 2.245 179.899 177.584 0.117 0.000 1.186 513 A CA 1.401 53.500 52.037 0.103 0.000 0.616 513 A CB -0.749 18.280 19.000 0.048 0.000 0.823 513 A HN 0.512 nan 8.150 nan 0.000 0.442 514 L N -0.358 120.897 121.223 0.053 0.000 2.291 514 L HA 0.080 4.420 4.340 0.000 0.000 0.214 514 L C 2.173 179.095 176.870 0.088 0.000 1.120 514 L CA 1.506 56.383 54.840 0.062 0.000 0.799 514 L CB -0.355 41.709 42.059 0.009 0.000 0.925 514 L HN 0.306 nan 8.230 nan 0.000 0.446 515 G N -1.031 107.804 108.800 0.058 0.000 2.471 515 G HA2 -0.261 3.699 3.960 0.000 0.000 0.219 515 G HA3 -0.261 3.699 3.960 0.000 0.000 0.219 515 G C 1.258 176.205 174.900 0.079 0.000 1.125 515 G CA 0.347 45.467 45.100 0.033 0.000 0.775 515 G HN 0.389 nan 8.290 nan 0.000 0.548 516 F N 0.844 120.821 119.950 0.045 0.000 2.387 516 F HA 0.083 4.610 4.527 0.000 0.000 0.294 516 F C 2.642 178.488 175.800 0.076 0.000 1.093 516 F CA 0.458 58.502 58.000 0.074 0.000 1.420 516 F CB -0.091 38.930 39.000 0.036 0.000 1.086 516 F HN 0.067 nan 8.300 nan 0.000 0.531 517 V N -1.153 118.937 119.914 0.294 0.000 2.667 517 V HA -0.139 3.981 4.120 0.000 0.000 0.252 517 V C 1.948 178.202 176.094 0.267 0.000 1.065 517 V CA 1.506 63.951 62.300 0.242 0.000 1.083 517 V CB -0.655 31.301 31.823 0.222 0.000 0.692 517 V HN 0.295 nan 8.190 nan 0.000 0.468 518 L N -1.331 120.023 121.223 0.218 0.000 2.179 518 L HA -0.022 4.318 4.340 0.000 0.000 0.208 518 L C 2.583 179.564 176.870 0.186 0.000 1.096 518 L CA 1.946 56.898 54.840 0.186 0.000 0.779 518 L CB -0.552 41.583 42.059 0.128 0.000 0.922 518 L HN 0.479 nan 8.230 nan 0.000 0.443 519 Y N 1.175 121.517 120.300 0.071 0.000 2.337 519 Y HA -0.226 4.324 4.550 0.000 0.000 0.293 519 Y C 2.562 178.484 175.900 0.037 0.000 1.123 519 Y CA 1.505 59.624 58.100 0.032 0.000 1.201 519 Y CB 0.044 38.475 38.460 -0.049 0.000 1.011 519 Y HN -0.012 nan 8.280 nan 0.000 0.545 520 K N -0.688 119.700 120.400 -0.020 0.000 2.148 520 K HA -0.147 4.173 4.320 0.000 0.000 0.204 520 K C 0.668 176.976 176.600 -0.487 0.000 1.050 520 K CA 1.751 57.856 56.287 -0.303 0.000 0.942 520 K CB -0.483 31.791 32.500 -0.377 0.000 0.724 520 K HN 0.452 nan 8.250 nan 0.000 0.446 521 Y N 0.912 121.198 120.300 -0.024 0.000 2.607 521 Y HA 0.258 4.808 4.550 0.000 0.000 0.266 521 Y C -0.527 175.349 175.900 -0.040 0.000 1.178 521 Y CA -0.623 57.459 58.100 -0.030 0.000 1.226 521 Y CB 0.341 38.798 38.460 -0.006 0.000 1.144 521 Y HN -0.067 nan 8.280 nan 0.000 0.528 522 K N 0.518 120.923 120.400 0.009 0.000 3.071 522 K HA -0.226 4.094 4.320 0.000 0.000 0.262 522 K C -0.232 176.397 176.600 0.048 0.000 0.977 522 K CA 0.635 56.917 56.287 -0.007 0.000 0.721 522 K CB -1.961 30.524 32.500 -0.024 0.000 1.293 522 K HN 0.480 nan 8.250 nan 0.000 0.475 523 L N 0.630 121.902 121.223 0.082 0.000 3.062 523 L HA 0.183 4.523 4.340 0.000 0.000 0.255 523 L C 0.378 177.289 176.870 0.069 0.000 1.274 523 L CA -0.727 54.157 54.840 0.074 0.000 1.047 523 L CB 0.033 42.140 42.059 0.081 0.000 1.402 523 L HN 0.134 nan 8.230 nan 0.000 0.550 524 L N 0.000 121.268 121.223 0.076 0.000 2.949 524 L HA 0.000 4.340 4.340 0.000 0.000 0.249 524 L CA 0.000 54.883 54.840 0.071 0.000 0.813 524 L CB 0.000 42.114 42.059 0.093 0.000 0.961 524 L HN 0.000 nan 8.230 nan 0.000 0.502