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 1f07_1_D DATA FIRST_RESID 3001 DATA SEQUENCE MKFGIEFVPN EPIEKIVKLV KLAEDVGFEY AWITDHYNNK NVYETLALIA DATA SEQUENCE EGTETIKLGP GVTNPYVRSP AITASAIATL DELSNGRATL GIGPGDKATF DATA SEQUENCE DALGIEWVKP VSTIRDAIAM MRTLLAGEKT ESGAQLMGVK AVQEKIPIYM DATA SEQUENCE GAQGPMMLKT AGEISDGALI NASNPKDFEA AVPLIKEGAE AAGKSIADID DATA SEQUENCE VAAYTCCSID EDAAAAANAA KIVVAFIAAG SPPPVFERHG LPADTGKKFG DATA SEQUENCE ELLGKGDFGG AIGAVDDALM EAFSVVGTPD EFIPKIEALG EMGVTQYVAG DATA SEQUENCE SPIGPDKEKS IKLLGEVIAS F 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 3001 M HA 0.000 nan 4.480 nan 0.000 0.227 3001 M C 0.000 176.237 176.300 -0.105 0.000 1.140 3001 M CA 0.000 55.241 55.300 -0.098 0.000 0.988 3001 M CB 0.000 32.431 32.600 -0.281 0.000 1.302 3002 K N 3.697 124.003 120.400 -0.156 0.000 2.098 3002 K HA 0.384 nan 4.320 nan 0.000 0.258 3002 K C -1.470 175.007 176.600 -0.205 0.000 0.973 3002 K CA -1.446 54.863 56.287 0.036 0.000 0.898 3002 K CB 2.220 34.850 32.500 0.217 0.000 1.057 3002 K HN 0.447 8.600 8.250 -0.162 0.000 0.447 3003 F N -0.789 119.256 119.950 0.158 0.000 2.495 3003 F HA 0.629 nan 4.527 nan 0.000 0.327 3003 F C -0.357 175.712 175.800 0.448 0.000 1.103 3003 F CA -1.392 56.730 58.000 0.203 0.000 0.949 3003 F CB 3.426 42.368 39.000 -0.097 0.000 1.142 3003 F HN -0.015 8.576 8.300 0.485 0.000 0.457 3004 G N 0.865 110.014 108.800 0.583 0.000 2.569 3004 G HA2 0.829 nan 3.960 nan 0.000 0.300 3004 G HA3 0.829 nan 3.960 nan 0.000 0.300 3004 G C -3.050 172.103 174.900 0.422 0.000 1.269 3004 G CA -1.982 43.434 45.100 0.527 0.000 0.959 3004 G HN 0.994 9.420 8.290 0.416 0.114 0.478 3005 I N -1.042 119.626 120.570 0.163 0.000 2.722 3005 I HA 0.705 nan 4.170 nan 0.000 0.295 3005 I C -2.983 173.091 176.117 -0.072 0.000 1.161 3005 I CA -2.118 59.087 61.300 -0.157 0.000 1.032 3005 I CB 3.995 41.577 38.000 -0.697 0.000 1.244 3005 I HN 0.529 8.861 8.210 0.203 0.000 0.421 3006 E N 7.220 127.306 120.200 -0.190 0.000 2.191 3006 E HA 0.639 nan 4.350 nan 0.000 0.274 3006 E C -1.557 174.794 176.600 -0.416 0.000 0.948 3006 E CA -1.644 54.721 56.400 -0.058 0.000 0.802 3006 E CB 3.280 33.092 29.700 0.186 0.000 1.137 3006 E HN 0.014 8.231 8.360 -0.237 0.000 0.397 3007 F N 4.436 124.421 119.950 0.058 0.000 2.565 3007 F HA 0.203 nan 4.527 nan 0.000 0.313 3007 F C -1.674 174.134 175.800 0.013 0.000 1.091 3007 F CA -0.823 57.183 58.000 0.010 0.000 0.915 3007 F CB 4.120 43.108 39.000 -0.020 0.000 1.208 3007 F HN 0.543 8.999 8.300 0.262 0.000 0.453 3008 V N 3.349 123.359 119.914 0.160 0.000 2.350 3008 V HA 0.284 nan 4.120 nan 0.000 0.276 3008 V C -0.844 175.293 176.094 0.071 0.000 1.028 3008 V CA -3.740 58.608 62.300 0.080 0.000 0.860 3008 V CB 0.727 32.559 31.823 0.016 0.000 0.990 3008 V HN 0.515 8.798 8.190 0.155 0.000 0.453 3009 P HA 0.148 nan 4.420 nan 0.000 0.231 3009 P C -1.376 175.922 177.300 -0.005 0.000 1.756 3009 P CA 0.000 63.108 63.100 0.013 0.000 0.990 3009 P CB -1.909 29.785 31.700 -0.009 0.000 1.973 3010 N N -1.686 117.013 118.700 -0.002 0.000 2.238 3010 N HA -0.010 nan 4.740 nan 0.000 0.235 3010 N C -0.998 174.504 175.510 -0.013 0.000 1.209 3010 N CA -0.873 52.165 53.050 -0.020 0.000 0.879 3010 N CB 1.050 39.515 38.487 -0.038 0.000 1.136 3010 N HN 0.386 8.706 8.380 0.015 0.069 0.517 3011 E N 0.095 120.293 120.200 -0.004 0.000 2.433 3011 E HA 0.335 nan 4.350 nan 0.000 0.273 3011 E C -2.989 173.603 176.600 -0.012 0.000 0.950 3011 E CA -3.071 53.326 56.400 -0.005 0.000 0.796 3011 E CB -0.029 29.675 29.700 0.007 0.000 1.330 3011 E HN -0.775 7.526 8.360 0.001 0.059 0.455 3012 P HA -0.090 nan 4.420 nan 0.000 0.261 3012 P C 0.331 177.610 177.300 -0.035 0.000 1.173 3012 P CA 0.246 63.333 63.100 -0.022 0.000 0.760 3012 P CB 0.489 32.178 31.700 -0.020 0.000 0.783 3013 I N 5.503 126.050 120.570 -0.037 0.000 2.264 3013 I HA -0.514 nan 4.170 nan 0.000 0.248 3013 I C 1.659 177.735 176.117 -0.070 0.000 1.111 3013 I CA 3.697 64.965 61.300 -0.055 0.000 1.382 3013 I CB -0.345 37.630 38.000 -0.042 0.000 1.060 3013 I HN 0.165 8.358 8.210 -0.028 0.000 0.418 3014 E N -0.673 119.496 120.200 -0.053 0.000 2.160 3014 E HA -0.338 nan 4.350 nan 0.000 0.195 3014 E C 1.832 178.390 176.600 -0.069 0.000 0.991 3014 E CA 3.146 59.513 56.400 -0.055 0.000 0.810 3014 E CB -1.425 28.252 29.700 -0.038 0.000 0.742 3014 E HN 0.527 8.854 8.360 -0.040 0.009 0.466 3015 K N -0.251 120.110 120.400 -0.065 0.000 2.062 3015 K HA -0.193 nan 4.320 nan 0.000 0.205 3015 K C 2.120 178.646 176.600 -0.124 0.000 1.051 3015 K CA 2.653 58.899 56.287 -0.069 0.000 0.941 3015 K CB -0.124 32.352 32.500 -0.040 0.000 0.719 3015 K HN -0.828 7.283 8.250 -0.053 0.107 0.440 3016 I N -0.143 120.333 120.570 -0.157 0.000 2.286 3016 I HA -0.501 nan 4.170 nan 0.000 0.248 3016 I C 1.835 177.721 176.117 -0.385 0.000 1.115 3016 I CA 3.901 65.012 61.300 -0.316 0.000 1.392 3016 I CB -0.105 37.739 38.000 -0.261 0.000 1.065 3016 I HN -0.425 7.636 8.210 -0.113 0.081 0.418 3017 V N 0.282 120.057 119.914 -0.232 0.000 2.287 3017 V HA -0.581 nan 4.120 nan 0.000 0.248 3017 V C 1.892 177.877 176.094 -0.182 0.000 1.053 3017 V CA 5.079 67.263 62.300 -0.194 0.000 1.027 3017 V CB -1.163 30.589 31.823 -0.119 0.000 0.646 3017 V HN 0.489 8.567 8.190 -0.172 0.008 0.447 3018 K N -0.918 119.396 120.400 -0.143 0.000 2.063 3018 K HA -0.348 nan 4.320 nan 0.000 0.208 3018 K C 2.489 179.019 176.600 -0.118 0.000 1.048 3018 K CA 3.468 59.693 56.287 -0.103 0.000 0.928 3018 K CB -0.348 32.111 32.500 -0.069 0.000 0.713 3018 K HN -0.661 7.511 8.250 -0.129 0.000 0.442 3019 L N -1.235 119.878 121.223 -0.182 0.000 2.093 3019 L HA -0.338 nan 4.340 nan 0.000 0.208 3019 L C 2.190 178.938 176.870 -0.203 0.000 1.085 3019 L CA 3.116 57.862 54.840 -0.156 0.000 0.755 3019 L CB -0.333 41.635 42.059 -0.152 0.000 0.904 3019 L HN -0.157 7.872 8.230 -0.216 0.071 0.435 3020 V N 0.193 119.853 119.914 -0.422 0.000 2.358 3020 V HA -0.479 nan 4.120 nan 0.000 0.246 3020 V C 2.005 178.045 176.094 -0.091 0.000 1.047 3020 V CA 4.545 66.680 62.300 -0.276 0.000 1.035 3020 V CB -1.086 30.544 31.823 -0.321 0.000 0.658 3020 V HN 0.340 8.219 8.190 -0.519 0.000 0.452 3021 K N 0.126 120.469 120.400 -0.095 0.000 2.063 3021 K HA -0.277 nan 4.320 nan 0.000 0.208 3021 K C 1.807 178.408 176.600 0.002 0.000 1.048 3021 K CA 2.301 58.563 56.287 -0.041 0.000 0.928 3021 K CB -0.657 31.814 32.500 -0.049 0.000 0.713 3021 K HN -0.179 7.987 8.250 -0.141 0.000 0.442 3022 L N -1.029 120.197 121.223 0.004 0.000 2.012 3022 L HA -0.344 nan 4.340 nan 0.000 0.210 3022 L C 1.574 178.509 176.870 0.108 0.000 1.073 3022 L CA 3.017 57.885 54.840 0.045 0.000 0.748 3022 L CB -0.676 41.409 42.059 0.044 0.000 0.891 3022 L HN -0.034 8.111 8.230 -0.029 0.068 0.431 3023 A N -2.271 120.627 122.820 0.130 0.000 1.902 3023 A HA -0.416 nan 4.320 nan 0.000 0.217 3023 A C 1.992 179.782 177.584 0.343 0.000 1.181 3023 A CA 3.128 55.327 52.037 0.270 0.000 0.623 3023 A CB -1.044 17.967 19.000 0.018 0.000 0.818 3023 A HN 0.039 8.159 8.150 0.075 0.076 0.443 3024 E N -1.003 119.300 120.200 0.171 0.000 2.051 3024 E HA -0.355 nan 4.350 nan 0.000 0.192 3024 E C 2.702 179.358 176.600 0.094 0.000 0.991 3024 E CA 3.196 59.669 56.400 0.122 0.000 0.799 3024 E CB -0.037 29.689 29.700 0.044 0.000 0.748 3024 E HN 0.188 8.414 8.360 0.105 0.196 0.449 3025 D N 0.025 120.469 120.400 0.073 0.000 2.263 3025 D HA -0.223 nan 4.640 nan 0.000 0.208 3025 D C 1.706 178.033 176.300 0.045 0.000 0.971 3025 D CA 2.801 56.828 54.000 0.046 0.000 0.867 3025 D CB -0.031 40.789 40.800 0.032 0.000 0.929 3025 D HN 0.336 8.569 8.370 0.070 0.179 0.492 3026 V N -9.188 110.776 119.914 0.083 0.000 3.542 3026 V HA 0.468 nan 4.120 nan 0.000 0.296 3026 V C 0.068 176.133 176.094 -0.048 0.000 1.364 3026 V CA -1.750 60.570 62.300 0.033 0.000 1.118 3026 V CB -1.137 30.727 31.823 0.069 0.000 0.972 3026 V HN -0.546 7.579 8.190 0.148 0.154 0.430 3027 G N -0.909 107.884 108.800 -0.011 0.000 2.184 3027 G HA2 -0.263 nan 3.960 nan 0.000 0.206 3027 G HA3 -0.263 nan 3.960 nan 0.000 0.206 3027 G C -0.719 174.123 174.900 -0.097 0.000 0.995 3027 G CA -0.307 44.738 45.100 -0.092 0.000 0.651 3027 G HN -0.432 7.709 8.290 0.057 0.183 0.511 3028 F N 0.897 120.880 119.950 0.055 0.000 2.484 3028 F HA -0.193 nan 4.527 nan 0.000 0.360 3028 F C -0.647 175.206 175.800 0.088 0.000 1.101 3028 F CA 1.868 59.947 58.000 0.132 0.000 1.251 3028 F CB 0.547 39.634 39.000 0.145 0.000 1.132 3028 F HN -0.189 8.290 8.300 0.298 0.000 0.570 3029 E N 0.574 120.944 120.200 0.284 0.000 2.364 3029 E HA 0.073 nan 4.350 nan 0.000 0.196 3029 E C -0.141 176.342 176.600 -0.195 0.000 0.990 3029 E CA 1.488 57.910 56.400 0.036 0.000 0.886 3029 E CB 1.768 31.488 29.700 0.034 0.000 0.866 3029 E HN 0.354 8.958 8.360 0.407 0.000 0.493 3030 Y N -2.149 118.187 120.300 0.059 0.000 2.477 3030 Y HA 0.405 nan 4.550 nan 0.000 0.347 3030 Y C -2.142 173.620 175.900 -0.231 0.000 0.981 3030 Y CA -1.825 56.154 58.100 -0.202 0.000 1.033 3030 Y CB 3.441 41.717 38.460 -0.308 0.000 1.245 3030 Y HN -0.398 8.170 8.280 0.480 0.000 0.455 3031 A N 1.127 123.783 122.820 -0.274 0.000 2.330 3031 A HA 0.681 nan 4.320 nan 0.000 0.313 3031 A C -2.587 174.791 177.584 -0.343 0.000 1.124 3031 A CA -1.401 50.545 52.037 -0.151 0.000 0.774 3031 A CB 2.093 21.063 19.000 -0.051 0.000 1.198 3031 A HN 1.105 8.913 8.150 -0.396 0.104 0.465 3032 W N 2.252 123.571 121.300 0.030 0.000 2.471 3032 W HA 0.520 nan 4.660 nan 0.000 0.318 3032 W C -1.493 175.064 176.519 0.063 0.000 1.034 3032 W CA -2.000 55.334 57.345 -0.019 0.000 1.224 3032 W CB 2.245 31.603 29.460 -0.169 0.000 1.335 3032 W HN 1.011 9.213 8.180 0.216 0.108 0.452 3033 I N 3.998 124.726 120.570 0.263 0.000 2.354 3033 I HA 0.635 nan 4.170 nan 0.000 0.292 3033 I C 0.254 176.436 176.117 0.109 0.000 0.989 3033 I CA -2.590 58.809 61.300 0.166 0.000 1.188 3033 I CB 1.225 39.263 38.000 0.063 0.000 1.342 3033 I HN 0.434 8.784 8.210 0.233 0.000 0.457 3034 T N 4.082 118.683 114.554 0.079 0.000 2.898 3034 T HA 0.084 nan 4.350 nan 0.000 0.301 3034 T C -0.975 173.631 174.700 -0.157 0.000 1.049 3034 T CA -0.826 61.258 62.100 -0.027 0.000 1.095 3034 T CB 0.399 69.271 68.868 0.006 0.000 0.976 3034 T HN 0.139 8.444 8.240 0.109 0.000 0.539 3035 D N 3.658 123.844 120.400 -0.356 0.000 2.462 3035 D HA 0.176 nan 4.640 nan 0.000 0.245 3035 D C -1.479 174.472 176.300 -0.583 0.000 1.122 3035 D CA -0.730 53.060 54.000 -0.351 0.000 0.864 3035 D CB 1.079 41.739 40.800 -0.235 0.000 1.098 3035 D HN 0.222 8.329 8.370 -0.437 0.000 0.541 3036 H N 4.033 123.075 119.070 -0.046 0.000 2.954 3036 H HA 0.342 nan 4.556 nan 0.000 0.361 3036 H C 0.369 175.646 175.328 -0.085 0.000 1.122 3036 H CA -0.838 55.169 56.048 -0.068 0.000 1.217 3036 H CB 3.376 33.039 29.762 -0.165 0.000 1.776 3036 H HN 0.202 8.420 8.280 -0.104 0.000 0.533 3037 Y N 3.872 124.239 120.300 0.111 0.000 2.256 3037 Y HA -0.421 nan 4.550 nan 0.000 0.288 3037 Y C -0.581 175.348 175.900 0.049 0.000 1.155 3037 Y CA 2.538 60.679 58.100 0.068 0.000 1.203 3037 Y CB -0.249 38.251 38.460 0.066 0.000 0.980 3037 Y HN 0.329 8.828 8.280 0.364 0.000 0.530 3038 N N -4.067 113.978 118.700 -1.092 0.000 2.515 3038 N HA -0.088 nan 4.740 nan 0.000 0.185 3038 N C -0.294 175.041 175.510 -0.291 0.000 1.109 3038 N CA 0.090 52.683 53.050 -0.762 0.000 0.903 3038 N CB -0.291 37.687 38.487 -0.849 0.000 0.969 3038 N HN 0.047 7.664 8.380 -1.239 0.019 0.450 3039 N N 0.012 118.604 118.700 -0.180 0.000 2.741 3039 N HA 0.312 nan 4.740 nan 0.000 0.310 3039 N C -1.137 174.346 175.510 -0.044 0.000 1.295 3039 N CA -0.880 52.119 53.050 -0.086 0.000 0.893 3039 N CB 2.691 41.148 38.487 -0.050 0.000 1.247 3039 N HN -0.638 7.469 8.380 -0.178 0.166 0.596 3040 K N 0.230 120.612 120.400 -0.029 0.000 2.380 3040 K HA -0.124 nan 4.320 nan 0.000 0.267 3040 K C -0.597 175.992 176.600 -0.018 0.000 0.990 3040 K CA 0.232 56.510 56.287 -0.015 0.000 0.946 3040 K CB 0.586 33.077 32.500 -0.015 0.000 0.937 3040 K HN 0.299 8.531 8.250 -0.030 0.000 0.491 3041 N N 0.374 119.073 118.700 -0.001 0.000 2.411 3041 N HA -0.170 nan 4.740 nan 0.000 0.261 3041 N C 1.184 176.657 175.510 -0.062 0.000 1.248 3041 N CA 0.766 53.814 53.050 -0.004 0.000 0.885 3041 N CB 0.888 39.402 38.487 0.046 0.000 1.062 3041 N HN 0.025 8.412 8.380 0.012 0.000 0.471 3042 V N 6.246 126.057 119.914 -0.171 0.000 2.490 3042 V HA -0.320 nan 4.120 nan 0.000 0.250 3042 V C 1.082 176.985 176.094 -0.317 0.000 1.061 3042 V CA 3.014 65.139 62.300 -0.292 0.000 1.064 3042 V CB -0.136 31.415 31.823 -0.453 0.000 0.670 3042 V HN 0.805 8.892 8.190 -0.172 0.000 0.461 3043 Y N -1.695 118.619 120.300 0.023 0.000 2.286 3043 Y HA -0.382 nan 4.550 nan 0.000 0.293 3043 Y C 2.257 178.161 175.900 0.007 0.000 1.124 3043 Y CA 3.399 61.509 58.100 0.016 0.000 1.178 3043 Y CB -0.057 38.415 38.460 0.021 0.000 1.010 3043 Y HN -0.366 7.928 8.280 -0.241 -0.158 0.536 3044 E N -0.442 119.829 120.200 0.119 0.000 2.106 3044 E HA -0.367 nan 4.350 nan 0.000 0.192 3044 E C 2.606 179.223 176.600 0.028 0.000 0.984 3044 E CA 3.526 59.966 56.400 0.067 0.000 0.806 3044 E CB -0.246 29.483 29.700 0.047 0.000 0.750 3044 E HN 0.040 8.789 8.360 0.106 -0.326 0.458 3045 T N 3.142 117.697 114.554 0.002 0.000 2.701 3045 T HA -0.192 nan 4.350 nan 0.000 0.263 3045 T C 2.080 176.766 174.700 -0.024 0.000 1.040 3045 T CA 4.888 66.972 62.100 -0.025 0.000 1.147 3045 T CB -0.402 68.439 68.868 -0.044 0.000 0.865 3045 T HN -0.383 7.843 8.240 -0.006 0.010 0.426 3046 L N 0.181 121.400 121.223 -0.008 0.000 2.079 3046 L HA -0.420 nan 4.340 nan 0.000 0.210 3046 L C 1.771 178.651 176.870 0.017 0.000 1.081 3046 L CA 3.272 58.116 54.840 0.007 0.000 0.752 3046 L CB -0.651 41.441 42.059 0.056 0.000 0.896 3046 L HN 0.160 8.274 8.230 -0.015 0.107 0.433 3047 A N -0.602 122.242 122.820 0.040 0.000 1.873 3047 A HA -0.284 nan 4.320 nan 0.000 0.215 3047 A C 2.073 179.656 177.584 -0.002 0.000 1.186 3047 A CA 3.193 55.246 52.037 0.027 0.000 0.616 3047 A CB -0.849 18.175 19.000 0.040 0.000 0.823 3047 A HN 0.078 8.247 8.150 0.062 0.018 0.442 3048 L N -2.325 118.891 121.223 -0.010 0.000 2.156 3048 L HA -0.354 nan 4.340 nan 0.000 0.208 3048 L C 2.367 179.209 176.870 -0.046 0.000 1.095 3048 L CA 2.616 57.440 54.840 -0.027 0.000 0.770 3048 L CB -0.158 41.883 42.059 -0.030 0.000 0.914 3048 L HN -0.651 7.577 8.230 -0.004 0.000 0.439 3049 I N -0.721 119.816 120.570 -0.056 0.000 2.252 3049 I HA -0.552 nan 4.170 nan 0.000 0.245 3049 I C 1.845 177.924 176.117 -0.063 0.000 1.102 3049 I CA 3.969 65.221 61.300 -0.081 0.000 1.385 3049 I CB -0.449 37.492 38.000 -0.098 0.000 1.064 3049 I HN 0.081 8.166 8.210 -0.047 0.097 0.414 3050 A N -0.320 122.473 122.820 -0.045 0.000 1.908 3050 A HA -0.369 nan 4.320 nan 0.000 0.218 3050 A C 2.281 179.843 177.584 -0.036 0.000 1.181 3050 A CA 3.345 55.359 52.037 -0.039 0.000 0.627 3050 A CB -1.115 17.872 19.000 -0.023 0.000 0.818 3050 A HN 0.339 8.361 8.150 -0.035 0.108 0.445 3051 E N -1.904 118.277 120.200 -0.031 0.000 2.153 3051 E HA -0.255 nan 4.350 nan 0.000 0.194 3051 E C 1.702 178.282 176.600 -0.034 0.000 0.988 3051 E CA 1.902 58.285 56.400 -0.028 0.000 0.811 3051 E CB -0.085 29.600 29.700 -0.024 0.000 0.746 3051 E HN -0.319 8.019 8.360 -0.029 0.005 0.466 3052 G N -2.809 105.965 108.800 -0.044 0.000 3.141 3052 G HA2 0.178 nan 3.960 nan 0.000 0.218 3052 G HA3 0.178 nan 3.960 nan 0.000 0.218 3052 G C -1.367 173.504 174.900 -0.049 0.000 1.170 3052 G CA -0.457 44.615 45.100 -0.047 0.000 0.769 3052 G HN -0.478 7.643 8.290 -0.049 0.139 0.546 3053 T N -4.599 109.927 114.554 -0.047 0.000 2.864 3053 T HA 0.451 nan 4.350 nan 0.000 0.289 3053 T C -0.689 173.988 174.700 -0.038 0.000 1.082 3053 T CA -2.138 59.935 62.100 -0.045 0.000 1.009 3053 T CB 2.783 71.617 68.868 -0.056 0.000 1.234 3053 T HN -0.792 7.249 8.240 -0.046 0.171 0.526 3054 E N -2.830 117.349 120.200 -0.036 0.000 2.505 3054 E HA 0.196 nan 4.350 nan 0.000 0.212 3054 E C -0.013 176.563 176.600 -0.039 0.000 0.825 3054 E CA 0.714 57.094 56.400 -0.033 0.000 1.333 3054 E CB 2.575 32.260 29.700 -0.025 0.000 1.319 3054 E HN 0.008 8.835 8.360 -0.034 -0.488 0.658 3055 T N -6.065 108.463 114.554 -0.043 0.000 2.992 3055 T HA 0.157 nan 4.350 nan 0.000 0.255 3055 T C -0.012 174.638 174.700 -0.084 0.000 0.938 3055 T CA 0.218 62.286 62.100 -0.055 0.000 0.895 3055 T CB 1.948 70.792 68.868 -0.041 0.000 1.221 3055 T HN -0.090 8.710 8.240 -0.038 -0.582 0.512 3056 I N 3.853 124.378 120.570 -0.076 0.000 2.752 3056 I HA -0.111 nan 4.170 nan 0.000 0.287 3056 I C -1.349 174.663 176.117 -0.175 0.000 1.188 3056 I CA 0.696 61.930 61.300 -0.109 0.000 1.427 3056 I CB 1.337 39.306 38.000 -0.052 0.000 1.365 3056 I HN 0.407 9.081 8.210 -0.055 -0.497 0.585 3057 K N 6.950 127.172 120.400 -0.296 0.000 2.218 3057 K HA 0.406 nan 4.320 nan 0.000 0.276 3057 K C -1.515 174.893 176.600 -0.321 0.000 1.022 3057 K CA 0.553 56.641 56.287 -0.332 0.000 0.946 3057 K CB 0.555 32.734 32.500 -0.534 0.000 1.000 3057 K HN 0.446 8.366 8.250 -0.369 0.109 0.468 3058 L N -1.981 119.084 121.223 -0.265 0.000 2.445 3058 L HA 0.940 nan 4.340 nan 0.000 0.262 3058 L C -1.338 175.403 176.870 -0.216 0.000 0.974 3058 L CA -1.873 52.807 54.840 -0.266 0.000 0.822 3058 L CB 2.542 44.511 42.059 -0.149 0.000 1.339 3058 L HN 0.402 8.511 8.230 -0.201 0.000 0.409 3059 G N -2.057 106.607 108.800 -0.227 0.000 2.523 3059 G HA2 0.324 nan 3.960 nan 0.000 0.291 3059 G HA3 0.324 nan 3.960 nan 0.000 0.291 3059 G C -3.474 171.491 174.900 0.109 0.000 1.450 3059 G CA -0.030 45.050 45.100 -0.033 0.000 0.790 3059 G HN -0.081 8.039 8.290 -0.283 0.000 0.496 3060 P HA 0.096 nan 4.420 nan 0.000 0.271 3060 P C -1.252 176.247 177.300 0.332 0.000 1.216 3060 P CA -0.406 62.781 63.100 0.146 0.000 0.771 3060 P CB 0.513 32.238 31.700 0.041 0.000 0.864 3061 G N 1.261 110.234 108.800 0.287 0.000 3.712 3061 G HA2 0.129 nan 3.960 nan 0.000 0.327 3061 G HA3 0.129 nan 3.960 nan 0.000 0.327 3061 G C -1.906 173.095 174.900 0.168 0.000 1.566 3061 G CA 0.059 45.299 45.100 0.233 0.000 0.953 3061 G HN 0.505 8.791 8.290 0.196 0.122 0.488 3062 V N -3.632 116.324 119.914 0.070 0.000 3.074 3062 V HA 0.756 nan 4.120 nan 0.000 0.314 3062 V C -1.355 174.761 176.094 0.036 0.000 1.117 3062 V CA -3.309 59.035 62.300 0.074 0.000 1.014 3062 V CB 2.646 34.514 31.823 0.075 0.000 1.057 3062 V HN -0.766 7.435 8.190 0.019 0.000 0.438 3063 T N 0.698 115.305 114.554 0.088 0.000 2.902 3063 T HA 0.664 nan 4.350 nan 0.000 0.287 3063 T C -1.865 172.927 174.700 0.154 0.000 1.048 3063 T CA -2.030 60.124 62.100 0.090 0.000 0.941 3063 T CB 1.381 70.335 68.868 0.143 0.000 1.432 3063 T HN 0.632 8.848 8.240 0.129 0.102 0.586 3064 N N -1.848 116.973 118.700 0.201 0.000 2.610 3064 N HA 0.521 nan 4.740 nan 0.000 0.264 3064 N C -2.267 173.352 175.510 0.182 0.000 1.348 3064 N CA -1.581 51.630 53.050 0.269 0.000 0.819 3064 N CB 1.132 39.904 38.487 0.475 0.000 1.521 3064 N HN -0.014 8.483 8.380 0.195 0.000 0.497 3065 P HA 0.104 nan 4.420 nan 0.000 0.253 3065 P C -1.373 175.737 177.300 -0.318 0.000 1.260 3065 P CA 1.414 64.413 63.100 -0.168 0.000 0.800 3065 P CB -0.039 31.482 31.700 -0.299 0.000 1.162 3066 Y N -3.158 117.136 120.300 -0.010 0.000 2.500 3066 Y HA -0.077 nan 4.550 nan 0.000 0.284 3066 Y C 1.505 177.356 175.900 -0.081 0.000 1.118 3066 Y CA 1.273 59.278 58.100 -0.159 0.000 1.241 3066 Y CB -0.207 37.884 38.460 -0.615 0.000 1.171 3066 Y HN -0.185 8.117 8.280 0.205 0.102 0.540 3067 V N -6.810 113.230 119.914 0.211 0.000 3.306 3067 V HA 0.009 nan 4.120 nan 0.000 0.264 3067 V C -0.163 176.011 176.094 0.133 0.000 1.149 3067 V CA 0.738 63.152 62.300 0.189 0.000 1.143 3067 V CB -0.228 31.756 31.823 0.268 0.000 0.767 3067 V HN -0.284 8.077 8.190 0.285 0.000 0.476 3068 R N -1.928 118.641 120.500 0.114 0.000 2.668 3068 R HA 0.238 nan 4.340 nan 0.000 0.272 3068 R C -1.719 174.608 176.300 0.045 0.000 1.019 3068 R CA -1.563 54.589 56.100 0.088 0.000 0.894 3068 R CB 3.190 33.564 30.300 0.122 0.000 1.228 3068 R HN -0.420 7.871 8.270 0.116 0.049 0.460 3069 S N 2.896 118.611 115.700 0.025 0.000 2.549 3069 S HA 0.112 nan 4.470 nan 0.000 0.286 3069 S C -0.141 174.459 174.600 -0.000 0.000 1.314 3069 S CA -1.105 57.094 58.200 -0.001 0.000 1.062 3069 S CB 0.913 64.112 63.200 -0.002 0.000 0.865 3069 S HN 0.248 8.576 8.310 0.030 0.000 0.498 3070 P HA -0.205 nan 4.420 nan 0.000 0.218 3070 P C 0.084 177.381 177.300 -0.006 0.000 1.146 3070 P CA 2.643 65.738 63.100 -0.007 0.000 0.813 3070 P CB -0.019 31.666 31.700 -0.023 0.000 0.778 3071 A N -2.668 120.145 122.820 -0.012 0.000 1.930 3071 A HA -0.192 nan 4.320 nan 0.000 0.217 3071 A C 2.063 179.631 177.584 -0.026 0.000 1.175 3071 A CA 3.115 55.142 52.037 -0.016 0.000 0.627 3071 A CB -0.727 18.264 19.000 -0.015 0.000 0.815 3071 A HN -0.175 7.930 8.150 -0.013 0.037 0.443 3072 I N -1.882 118.674 120.570 -0.022 0.000 2.252 3072 I HA -0.441 nan 4.170 nan 0.000 0.245 3072 I C 2.085 178.153 176.117 -0.081 0.000 1.102 3072 I CA 2.606 63.883 61.300 -0.039 0.000 1.385 3072 I CB -1.142 36.853 38.000 -0.008 0.000 1.064 3072 I HN -0.196 7.906 8.210 -0.011 0.102 0.414 3073 T N 2.278 116.809 114.554 -0.039 0.000 2.708 3073 T HA -0.305 nan 4.350 nan 0.000 0.266 3073 T C 1.554 176.204 174.700 -0.083 0.000 1.037 3073 T CA 5.247 67.321 62.100 -0.044 0.000 1.146 3073 T CB -0.483 68.424 68.868 0.065 0.000 0.865 3073 T HN -0.188 7.970 8.240 -0.005 0.078 0.435 3074 A N 1.055 123.851 122.820 -0.040 0.000 1.883 3074 A HA -0.324 nan 4.320 nan 0.000 0.217 3074 A C 1.812 179.355 177.584 -0.067 0.000 1.186 3074 A CA 3.372 55.390 52.037 -0.032 0.000 0.624 3074 A CB -1.017 17.974 19.000 -0.015 0.000 0.822 3074 A HN 0.293 8.430 8.150 -0.021 0.000 0.444 3075 S N -1.249 114.400 115.700 -0.084 0.000 2.368 3075 S HA -0.324 nan 4.470 nan 0.000 0.225 3075 S C 2.042 176.547 174.600 -0.158 0.000 1.030 3075 S CA 3.328 61.471 58.200 -0.095 0.000 0.999 3075 S CB -0.288 62.864 63.200 -0.080 0.000 0.844 3075 S HN -0.217 8.050 8.310 -0.071 0.000 0.459 3076 A N 1.760 124.408 122.820 -0.286 0.000 1.930 3076 A HA -0.203 nan 4.320 nan 0.000 0.217 3076 A C 2.461 179.826 177.584 -0.364 0.000 1.175 3076 A CA 3.081 54.810 52.037 -0.512 0.000 0.627 3076 A CB -0.768 17.467 19.000 -1.274 0.000 0.815 3076 A HN 0.162 8.059 8.150 -0.274 0.088 0.443 3077 I N -1.740 118.694 120.570 -0.227 0.000 2.286 3077 I HA -0.381 nan 4.170 nan 0.000 0.245 3077 I C 2.026 178.124 176.117 -0.032 0.000 1.104 3077 I CA 1.549 62.818 61.300 -0.052 0.000 1.397 3077 I CB -1.300 36.713 38.000 0.021 0.000 1.072 3077 I HN 0.193 8.269 8.210 -0.224 0.000 0.417 3078 A N -0.110 122.682 122.820 -0.047 0.000 1.930 3078 A HA -0.296 nan 4.320 nan 0.000 0.217 3078 A C 2.183 179.748 177.584 -0.032 0.000 1.175 3078 A CA 3.666 55.686 52.037 -0.029 0.000 0.627 3078 A CB -0.842 18.140 19.000 -0.029 0.000 0.815 3078 A HN 0.315 8.425 8.150 -0.066 0.000 0.443 3079 T N 2.402 116.924 114.554 -0.054 0.000 2.746 3079 T HA -0.267 nan 4.350 nan 0.000 0.267 3079 T C 1.905 176.591 174.700 -0.023 0.000 1.039 3079 T CA 4.528 66.602 62.100 -0.043 0.000 1.142 3079 T CB -0.466 68.364 68.868 -0.064 0.000 0.866 3079 T HN -0.215 7.967 8.240 -0.081 0.009 0.444 3080 L N 0.761 121.974 121.223 -0.017 0.000 2.093 3080 L HA -0.249 nan 4.340 nan 0.000 0.208 3080 L C 0.966 177.837 176.870 0.001 0.000 1.085 3080 L CA 3.035 57.882 54.840 0.012 0.000 0.755 3080 L CB -0.237 41.854 42.059 0.053 0.000 0.904 3080 L HN -0.350 7.762 8.230 -0.039 0.094 0.435 3081 D N -1.053 119.346 120.400 -0.002 0.000 2.144 3081 D HA -0.336 nan 4.640 nan 0.000 0.199 3081 D C 2.292 178.587 176.300 -0.009 0.000 0.984 3081 D CA 3.742 57.739 54.000 -0.005 0.000 0.834 3081 D CB -0.143 40.657 40.800 0.000 0.000 0.955 3081 D HN 0.239 8.421 8.370 -0.004 0.186 0.465 3082 E N -0.536 119.657 120.200 -0.010 0.000 2.072 3082 E HA -0.222 nan 4.350 nan 0.000 0.190 3082 E C 3.205 179.798 176.600 -0.011 0.000 0.982 3082 E CA 2.757 59.151 56.400 -0.011 0.000 0.803 3082 E CB 0.085 29.778 29.700 -0.012 0.000 0.755 3082 E HN -0.395 7.852 8.360 -0.012 0.106 0.453 3083 L N -1.743 119.473 121.223 -0.010 0.000 2.083 3083 L HA -0.268 nan 4.340 nan 0.000 0.209 3083 L C 1.687 178.548 176.870 -0.015 0.000 1.083 3083 L CA 2.435 57.269 54.840 -0.011 0.000 0.752 3083 L CB 0.216 42.271 42.059 -0.006 0.000 0.899 3083 L HN -0.217 7.932 8.230 -0.009 0.075 0.433 3084 S N -4.814 110.875 115.700 -0.018 0.000 2.556 3084 S HA -0.055 nan 4.470 nan 0.000 0.216 3084 S C -0.391 174.193 174.600 -0.027 0.000 0.970 3084 S CA -0.308 57.876 58.200 -0.027 0.000 0.912 3084 S CB 0.621 63.800 63.200 -0.034 0.000 0.790 3084 S HN 0.036 8.320 8.310 -0.014 0.017 0.504 3085 N N 1.506 120.193 118.700 -0.020 0.000 2.708 3085 N HA -0.394 nan 4.740 nan 0.000 0.255 3085 N C 0.069 175.567 175.510 -0.020 0.000 1.046 3085 N CA 0.222 53.261 53.050 -0.018 0.000 0.715 3085 N CB -1.317 37.159 38.487 -0.019 0.000 0.895 3085 N HN -0.529 7.642 8.380 -0.017 0.198 0.545 3086 G N -4.169 104.620 108.800 -0.018 0.000 2.132 3086 G HA2 -0.431 nan 3.960 nan 0.000 0.228 3086 G HA3 -0.431 nan 3.960 nan 0.000 0.228 3086 G C -0.270 174.614 174.900 -0.028 0.000 1.000 3086 G CA 0.139 45.229 45.100 -0.017 0.000 0.693 3086 G HN 0.517 8.682 8.290 -0.015 0.116 0.515 3087 R N -1.603 118.873 120.500 -0.040 0.000 2.432 3087 R HA 0.098 nan 4.340 nan 0.000 0.260 3087 R C -0.863 175.393 176.300 -0.073 0.000 0.935 3087 R CA -1.022 55.036 56.100 -0.070 0.000 1.080 3087 R CB 0.655 30.903 30.300 -0.088 0.000 1.155 3087 R HN -0.142 8.107 8.270 -0.035 0.000 0.531 3088 A N 0.150 122.950 122.820 -0.034 0.000 2.445 3088 A HA 0.162 nan 4.320 nan 0.000 0.242 3088 A C -0.876 176.711 177.584 0.004 0.000 1.075 3088 A CA 0.720 52.748 52.037 -0.016 0.000 0.777 3088 A CB 0.355 19.366 19.000 0.018 0.000 1.013 3088 A HN -0.529 7.789 8.150 -0.021 -0.181 0.493 3089 T N -2.410 112.141 114.554 -0.004 0.000 2.901 3089 T HA 0.470 nan 4.350 nan 0.000 0.293 3089 T C -1.550 173.243 174.700 0.155 0.000 1.084 3089 T CA -1.700 60.440 62.100 0.066 0.000 1.008 3089 T CB 2.884 71.667 68.868 -0.141 0.000 1.170 3089 T HN 0.163 8.386 8.240 -0.029 0.000 0.509 3090 L N 1.590 122.988 121.223 0.292 0.000 2.415 3090 L HA 0.445 nan 4.340 nan 0.000 0.268 3090 L C -1.925 175.181 176.870 0.393 0.000 0.984 3090 L CA -0.593 54.431 54.840 0.305 0.000 0.853 3090 L CB 3.249 45.444 42.059 0.227 0.000 1.215 3090 L HN 0.552 9.008 8.230 0.376 0.000 0.419 3091 G N 6.047 115.093 108.800 0.410 0.000 2.335 3091 G HA2 0.694 nan 3.960 nan 0.000 0.316 3091 G HA3 0.694 nan 3.960 nan 0.000 0.316 3091 G C -2.846 172.172 174.900 0.197 0.000 1.129 3091 G CA -1.606 43.664 45.100 0.283 0.000 0.899 3091 G HN 0.140 8.680 8.290 0.417 0.000 0.448 3092 I N 3.739 124.408 120.570 0.164 0.000 2.686 3092 I HA 0.863 nan 4.170 nan 0.000 0.295 3092 I C -2.190 174.009 176.117 0.137 0.000 1.114 3092 I CA -2.416 58.973 61.300 0.148 0.000 1.038 3092 I CB 3.850 41.935 38.000 0.142 0.000 1.238 3092 I HN 1.029 9.339 8.210 0.167 0.000 0.420 3093 G N 4.448 113.345 108.800 0.161 0.000 2.798 3093 G HA2 0.572 nan 3.960 nan 0.000 0.286 3093 G HA3 0.572 nan 3.960 nan 0.000 0.286 3093 G C -3.024 172.049 174.900 0.288 0.000 1.389 3093 G CA -1.331 43.880 45.100 0.184 0.000 0.894 3093 G HN 0.676 8.960 8.290 0.173 0.110 0.488 3094 P HA -0.040 nan 4.420 nan 0.000 0.229 3094 P C -0.255 177.531 177.300 0.809 0.000 1.160 3094 P CA 0.652 64.114 63.100 0.603 0.000 0.777 3094 P CB 0.761 32.769 31.700 0.512 0.000 0.814 3095 G N -0.442 108.645 108.800 0.478 0.000 2.615 3095 G HA2 -0.382 nan 3.960 nan 0.000 0.218 3095 G HA3 -0.382 nan 3.960 nan 0.000 0.218 3095 G C -2.600 172.217 174.900 -0.138 0.000 1.339 3095 G CA -0.485 44.749 45.100 0.225 0.000 0.884 3095 G HN -0.233 8.223 8.290 0.354 0.046 0.559 3096 D N -2.689 117.188 120.400 -0.871 0.000 2.756 3096 D HA 0.222 nan 4.640 nan 0.000 0.226 3096 D C -0.390 175.041 176.300 -1.449 0.000 1.186 3096 D CA -1.287 52.154 54.000 -0.931 0.000 0.845 3096 D CB 2.391 42.904 40.800 -0.478 0.000 1.610 3096 D HN -0.193 7.366 8.370 -1.353 0.000 0.465 3097 K N 2.483 122.130 120.400 -1.255 0.000 2.063 3097 K HA -0.454 nan 4.320 nan 0.000 0.208 3097 K C 1.330 177.657 176.600 -0.456 0.000 1.048 3097 K CA 3.558 59.380 56.287 -0.775 0.000 0.928 3097 K CB -0.066 32.317 32.500 -0.195 0.000 0.713 3097 K HN 0.592 8.236 8.250 -1.010 0.000 0.442 3098 A N -2.711 119.895 122.820 -0.357 0.000 1.873 3098 A HA -0.263 nan 4.320 nan 0.000 0.218 3098 A C 2.381 179.818 177.584 -0.244 0.000 1.193 3098 A CA 3.168 55.071 52.037 -0.223 0.000 0.629 3098 A CB -1.029 17.871 19.000 -0.167 0.000 0.826 3098 A HN 0.129 8.065 8.150 -0.357 0.000 0.447 3099 T N 2.671 116.993 114.554 -0.388 0.000 2.635 3099 T HA -0.332 nan 4.350 nan 0.000 0.267 3099 T C 2.268 176.814 174.700 -0.257 0.000 1.040 3099 T CA 4.808 66.719 62.100 -0.316 0.000 1.156 3099 T CB -0.431 68.152 68.868 -0.476 0.000 0.863 3099 T HN 0.016 8.350 8.240 -0.489 -0.387 0.430 3100 F N -0.847 118.943 119.950 -0.266 0.000 2.234 3100 F HA -0.274 nan 4.527 nan 0.000 0.299 3100 F C 1.743 177.443 175.800 -0.167 0.000 1.087 3100 F CA 0.870 58.719 58.000 -0.253 0.000 1.340 3100 F CB -1.388 37.365 39.000 -0.412 0.000 1.031 3100 F HN -0.534 7.149 8.300 -1.029 0.000 0.500 3101 D N 0.091 120.490 120.400 -0.002 0.000 2.117 3101 D HA -0.263 nan 4.640 nan 0.000 0.198 3101 D C 2.951 179.240 176.300 -0.020 0.000 0.982 3101 D CA 3.471 57.470 54.000 -0.001 0.000 0.828 3101 D CB -0.595 40.195 40.800 -0.016 0.000 0.967 3101 D HN 0.086 8.405 8.370 -0.083 0.000 0.464 3102 A N -0.309 122.482 122.820 -0.048 0.000 2.019 3102 A HA -0.127 nan 4.320 nan 0.000 0.219 3102 A C 1.198 178.715 177.584 -0.113 0.000 1.164 3102 A CA 2.603 54.599 52.037 -0.067 0.000 0.644 3102 A CB -0.190 18.775 19.000 -0.058 0.000 0.805 3102 A HN -0.351 7.760 8.150 -0.065 0.000 0.449 3103 L N -6.375 114.789 121.223 -0.099 0.000 2.607 3103 L HA 0.118 nan 4.340 nan 0.000 0.228 3103 L C 0.290 177.140 176.870 -0.034 0.000 1.123 3103 L CA -0.565 54.212 54.840 -0.105 0.000 0.890 3103 L CB 0.272 42.279 42.059 -0.088 0.000 1.103 3103 L HN -0.617 7.428 8.230 -0.052 0.153 0.468 3104 G N -0.410 108.383 108.800 -0.010 0.000 2.246 3104 G HA2 -0.323 nan 3.960 nan 0.000 0.273 3104 G HA3 -0.323 nan 3.960 nan 0.000 0.273 3104 G C -0.475 174.431 174.900 0.010 0.000 1.055 3104 G CA 0.541 45.643 45.100 0.002 0.000 0.851 3104 G HN -0.478 7.615 8.290 -0.010 0.190 0.500 3105 I N -0.375 120.206 120.570 0.019 0.000 2.404 3105 I HA 0.022 nan 4.170 nan 0.000 0.293 3105 I C -0.722 175.380 176.117 -0.025 0.000 0.992 3105 I CA -0.944 60.342 61.300 -0.024 0.000 1.149 3105 I CB 1.308 39.240 38.000 -0.113 0.000 1.315 3105 I HN 0.107 8.235 8.210 0.047 0.110 0.446 3106 E N 6.790 126.990 120.200 0.001 0.000 2.324 3106 E HA -0.095 nan 4.350 nan 0.000 0.271 3106 E C -0.688 175.934 176.600 0.037 0.000 1.028 3106 E CA -0.439 55.990 56.400 0.047 0.000 0.890 3106 E CB 0.430 30.167 29.700 0.062 0.000 1.004 3106 E HN 0.274 8.640 8.360 0.010 0.000 0.431 3107 W N 6.422 127.620 121.300 -0.170 0.000 1.738 3107 W HA -0.009 nan 4.660 nan 0.000 0.399 3107 W C -1.030 175.437 176.519 -0.086 0.000 0.744 3107 W CA -2.167 54.995 57.345 -0.304 0.000 1.695 3107 W CB -1.006 28.388 29.460 -0.109 0.000 1.820 3107 W HN 0.159 8.482 8.180 0.237 0.000 0.262 3108 V N 1.208 121.206 119.914 0.140 0.000 2.498 3108 V HA 0.150 nan 4.120 nan 0.000 0.279 3108 V C -0.588 175.539 176.094 0.055 0.000 1.048 3108 V CA -1.951 60.396 62.300 0.078 0.000 0.967 3108 V CB 0.729 32.614 31.823 0.104 0.000 0.988 3108 V HN -0.730 7.560 8.190 0.232 0.039 0.473 3109 K N 1.690 122.056 120.400 -0.056 0.000 4.923 3109 K HA -0.310 nan 4.320 nan 0.000 0.290 3109 K C -1.146 175.442 176.600 -0.020 0.000 0.699 3109 K CA 0.375 56.618 56.287 -0.073 0.000 0.799 3109 K CB -1.552 30.926 32.500 -0.037 0.000 2.041 3109 K HN 0.280 8.483 8.250 -0.078 0.000 0.378 3110 P HA -0.278 nan 4.420 nan 0.000 0.215 3110 P C 0.598 177.931 177.300 0.055 0.000 1.157 3110 P CA 2.534 65.674 63.100 0.067 0.000 0.874 3110 P CB -0.199 31.454 31.700 -0.078 0.000 0.790 3111 V N -4.084 115.828 119.914 -0.003 0.000 2.237 3111 V HA -0.396 nan 4.120 nan 0.000 0.245 3111 V C 1.804 177.899 176.094 0.003 0.000 1.046 3111 V CA 4.504 66.807 62.300 0.005 0.000 1.007 3111 V CB -0.843 30.972 31.823 -0.013 0.000 0.638 3111 V HN 0.288 8.450 8.190 -0.045 0.000 0.445 3112 S N -1.291 114.404 115.700 -0.008 0.000 2.423 3112 S HA -0.323 nan 4.470 nan 0.000 0.231 3112 S C 2.106 176.695 174.600 -0.019 0.000 1.014 3112 S CA 3.421 61.614 58.200 -0.011 0.000 0.965 3112 S CB -1.010 62.181 63.200 -0.013 0.000 0.785 3112 S HN -0.100 8.201 8.310 -0.015 0.000 0.495 3113 T N 5.984 120.525 114.554 -0.021 0.000 2.812 3113 T HA -0.177 nan 4.350 nan 0.000 0.264 3113 T C 2.153 176.801 174.700 -0.086 0.000 1.042 3113 T CA 4.732 66.784 62.100 -0.079 0.000 1.140 3113 T CB -0.485 68.301 68.868 -0.136 0.000 0.870 3113 T HN -0.236 7.894 8.240 0.001 0.110 0.445 3114 I N 2.175 122.728 120.570 -0.029 0.000 2.252 3114 I HA -0.536 nan 4.170 nan 0.000 0.245 3114 I C 1.062 177.177 176.117 -0.003 0.000 1.102 3114 I CA 4.221 65.520 61.300 -0.001 0.000 1.385 3114 I CB -0.361 37.669 38.000 0.050 0.000 1.064 3114 I HN 0.224 8.435 8.210 0.002 0.000 0.414 3115 R N 0.089 120.588 120.500 -0.002 0.000 2.083 3115 R HA -0.487 nan 4.340 nan 0.000 0.237 3115 R C 2.038 178.332 176.300 -0.010 0.000 1.137 3115 R CA 4.238 60.337 56.100 -0.002 0.000 0.951 3115 R CB -0.311 29.987 30.300 -0.004 0.000 0.851 3115 R HN 0.395 8.557 8.270 -0.001 0.107 0.434 3116 D N -1.068 119.319 120.400 -0.021 0.000 2.144 3116 D HA -0.221 nan 4.640 nan 0.000 0.200 3116 D C 2.124 178.407 176.300 -0.027 0.000 0.978 3116 D CA 3.032 57.017 54.000 -0.025 0.000 0.833 3116 D CB -0.584 40.196 40.800 -0.034 0.000 0.961 3116 D HN -0.029 8.216 8.370 -0.026 0.109 0.470 3117 A N 0.304 123.100 122.820 -0.039 0.000 1.877 3117 A HA -0.249 nan 4.320 nan 0.000 0.216 3117 A C 2.178 179.758 177.584 -0.006 0.000 1.186 3117 A CA 3.144 55.161 52.037 -0.034 0.000 0.620 3117 A CB -0.566 18.404 19.000 -0.049 0.000 0.822 3117 A HN 0.083 8.023 8.150 -0.049 0.181 0.443 3118 I N -1.609 118.964 120.570 0.006 0.000 2.226 3118 I HA -0.592 nan 4.170 nan 0.000 0.245 3118 I C 1.707 177.832 176.117 0.013 0.000 1.100 3118 I CA 3.930 65.242 61.300 0.020 0.000 1.374 3118 I CB -0.319 37.696 38.000 0.026 0.000 1.057 3118 I HN 0.330 8.541 8.210 0.002 0.000 0.413 3119 A N -0.208 122.614 122.820 0.004 0.000 1.883 3119 A HA -0.393 nan 4.320 nan 0.000 0.217 3119 A C 1.882 179.467 177.584 0.001 0.000 1.186 3119 A CA 3.270 55.308 52.037 0.002 0.000 0.624 3119 A CB -0.961 18.038 19.000 -0.003 0.000 0.822 3119 A HN -0.169 7.981 8.150 0.000 0.000 0.444 3120 M N -1.036 118.563 119.600 -0.003 0.000 2.117 3120 M HA -0.439 nan 4.480 nan 0.000 0.262 3120 M C 2.060 178.360 176.300 0.001 0.000 1.065 3120 M CA 3.771 59.068 55.300 -0.004 0.000 1.114 3120 M CB 0.159 32.753 32.600 -0.011 0.000 1.361 3120 M HN -0.329 7.958 8.290 -0.006 0.000 0.408 3121 M N -1.000 118.604 119.600 0.007 0.000 2.175 3121 M HA -0.462 nan 4.480 nan 0.000 0.264 3121 M C 2.130 178.440 176.300 0.017 0.000 1.063 3121 M CA 4.043 59.351 55.300 0.014 0.000 1.119 3121 M CB -0.410 32.207 32.600 0.027 0.000 1.377 3121 M HN 0.217 8.511 8.290 0.007 0.000 0.415 3122 R N -0.973 119.538 120.500 0.018 0.000 2.080 3122 R HA -0.299 nan 4.340 nan 0.000 0.236 3122 R C 2.539 178.846 176.300 0.012 0.000 1.137 3122 R CA 3.058 59.169 56.100 0.018 0.000 0.943 3122 R CB -1.021 29.288 30.300 0.015 0.000 0.846 3122 R HN 0.482 8.655 8.270 0.017 0.107 0.431 3123 T N 3.233 117.791 114.554 0.007 0.000 2.622 3123 T HA -0.259 nan 4.350 nan 0.000 0.266 3123 T C 2.184 176.885 174.700 0.003 0.000 1.047 3123 T CA 4.804 66.906 62.100 0.004 0.000 1.159 3123 T CB -0.497 68.371 68.868 0.001 0.000 0.863 3123 T HN -0.482 7.762 8.240 0.006 0.000 0.422 3124 L N 0.104 121.328 121.223 0.001 0.000 2.042 3124 L HA -0.366 nan 4.340 nan 0.000 0.210 3124 L C 2.518 179.388 176.870 -0.001 0.000 1.076 3124 L CA 3.271 58.109 54.840 -0.002 0.000 0.749 3124 L CB -0.440 41.615 42.059 -0.006 0.000 0.893 3124 L HN 0.044 8.275 8.230 0.001 0.000 0.432 3125 L N -2.425 118.801 121.223 0.005 0.000 2.275 3125 L HA -0.303 nan 4.340 nan 0.000 0.215 3125 L C 1.103 177.977 176.870 0.008 0.000 1.119 3125 L CA 2.344 57.188 54.840 0.008 0.000 0.790 3125 L CB -0.465 41.605 42.059 0.018 0.000 0.919 3125 L HN 0.231 8.357 8.230 0.008 0.109 0.443 3126 A N -4.301 118.523 122.820 0.008 0.000 2.238 3126 A HA -0.023 nan 4.320 nan 0.000 0.208 3126 A C 0.344 177.930 177.584 0.003 0.000 1.177 3126 A CA 0.389 52.430 52.037 0.007 0.000 0.804 3126 A CB -0.197 18.808 19.000 0.007 0.000 0.823 3126 A HN -0.389 7.632 8.150 0.008 0.134 0.482 3127 G N -2.313 106.487 108.800 0.001 0.000 2.162 3127 G HA2 -0.415 nan 3.960 nan 0.000 0.260 3127 G HA3 -0.415 nan 3.960 nan 0.000 0.260 3127 G C -0.164 174.736 174.900 -0.001 0.000 0.976 3127 G CA 0.196 45.295 45.100 -0.001 0.000 0.655 3127 G HN -0.232 7.839 8.290 0.001 0.220 0.533 3128 E N -0.409 119.791 120.200 -0.000 0.000 2.322 3128 E HA 0.136 nan 4.350 nan 0.000 0.257 3128 E C -1.561 175.038 176.600 -0.002 0.000 1.155 3128 E CA -1.332 55.067 56.400 -0.001 0.000 0.936 3128 E CB 1.699 31.399 29.700 0.000 0.000 1.130 3128 E HN -0.428 7.871 8.360 0.000 0.061 0.465 3129 K N -0.182 120.217 120.400 -0.002 0.000 2.206 3129 K HA 0.219 nan 4.320 nan 0.000 0.264 3129 K C -0.116 176.482 176.600 -0.003 0.000 0.967 3129 K CA -1.372 54.913 56.287 -0.003 0.000 0.844 3129 K CB 1.467 33.965 32.500 -0.003 0.000 1.099 3129 K HN -0.122 8.127 8.250 -0.002 0.000 0.441 3130 T N 3.488 118.039 114.554 -0.004 0.000 2.828 3130 T HA 0.270 nan 4.350 nan 0.000 0.290 3130 T C 1.346 176.044 174.700 -0.004 0.000 1.019 3130 T CA -1.376 60.722 62.100 -0.004 0.000 1.031 3130 T CB 1.246 70.111 68.868 -0.005 0.000 1.001 3130 T HN 0.371 8.609 8.240 -0.004 0.000 0.531 3131 E N 2.063 122.261 120.200 -0.004 0.000 2.209 3131 E HA -0.346 nan 4.350 nan 0.000 0.196 3131 E C 0.490 177.088 176.600 -0.004 0.000 0.993 3131 E CA 2.809 59.207 56.400 -0.004 0.000 0.819 3131 E CB -0.374 29.324 29.700 -0.004 0.000 0.745 3131 E HN 0.581 8.939 8.360 -0.004 0.000 0.477 3132 S N -3.941 111.756 115.700 -0.005 0.000 2.607 3132 S HA -0.080 nan 4.470 nan 0.000 0.224 3132 S C 0.060 174.657 174.600 -0.004 0.000 0.969 3132 S CA 0.557 58.754 58.200 -0.005 0.000 0.927 3132 S CB 0.136 63.333 63.200 -0.006 0.000 0.772 3132 S HN -0.187 8.091 8.310 -0.005 0.029 0.533 3133 G N -0.115 108.683 108.800 -0.004 0.000 2.176 3133 G HA2 -0.402 nan 3.960 nan 0.000 0.232 3133 G HA3 -0.402 nan 3.960 nan 0.000 0.232 3133 G C -0.737 174.160 174.900 -0.005 0.000 0.986 3133 G CA -0.232 44.865 45.100 -0.004 0.000 0.643 3133 G HN -0.064 8.016 8.290 -0.004 0.208 0.522 3134 A N 0.729 123.546 122.820 -0.006 0.000 2.440 3134 A HA 0.029 nan 4.320 nan 0.000 0.251 3134 A C -1.716 175.865 177.584 -0.006 0.000 1.089 3134 A CA 0.340 52.373 52.037 -0.007 0.000 0.779 3134 A CB 1.061 20.056 19.000 -0.008 0.000 1.022 3134 A HN -0.346 7.748 8.150 -0.006 0.052 0.492 3135 Q N 0.519 120.315 119.800 -0.007 0.000 2.352 3135 Q HA 0.315 nan 4.340 nan 0.000 0.270 3135 Q C -1.588 174.407 176.000 -0.009 0.000 1.006 3135 Q CA -0.848 54.951 55.803 -0.007 0.000 0.880 3135 Q CB 3.829 32.563 28.738 -0.005 0.000 1.392 3135 Q HN 0.034 8.299 8.270 -0.008 0.000 0.401 3136 L N 5.211 126.428 121.223 -0.010 0.000 2.416 3136 L HA 0.010 nan 4.340 nan 0.000 0.272 3136 L C -0.216 176.648 176.870 -0.010 0.000 1.161 3136 L CA 1.017 55.849 54.840 -0.012 0.000 0.845 3136 L CB 0.360 42.410 42.059 -0.014 0.000 1.119 3136 L HN 0.613 8.838 8.230 -0.009 0.000 0.464 3137 M N 2.831 122.424 119.600 -0.011 0.000 2.817 3137 M HA 0.085 nan 4.480 nan 0.000 0.228 3137 M C 0.866 177.160 176.300 -0.009 0.000 1.644 3137 M CA 0.746 56.041 55.300 -0.009 0.000 1.177 3137 M CB -0.130 32.465 32.600 -0.008 0.000 1.302 3137 M HN 0.048 8.331 8.290 -0.013 0.000 0.565 3138 G N -0.940 107.853 108.800 -0.011 0.000 3.284 3138 G HA2 -0.040 nan 3.960 nan 0.000 0.236 3138 G HA3 -0.040 nan 3.960 nan 0.000 0.236 3138 G C -1.178 173.713 174.900 -0.014 0.000 1.158 3138 G CA 0.138 45.231 45.100 -0.011 0.000 0.774 3138 G HN -0.300 7.983 8.290 -0.012 0.000 0.545 3139 V N -0.490 119.415 119.914 -0.015 0.000 2.969 3139 V HA 0.424 nan 4.120 nan 0.000 0.304 3139 V C -2.275 173.810 176.094 -0.015 0.000 1.192 3139 V CA -0.753 61.537 62.300 -0.018 0.000 0.962 3139 V CB 2.810 34.617 31.823 -0.026 0.000 1.045 3139 V HN -0.799 7.301 8.190 -0.014 0.081 0.428 3140 K N 5.914 126.306 120.400 -0.013 0.000 2.501 3140 K HA 0.297 nan 4.320 nan 0.000 0.252 3140 K C -1.429 175.167 176.600 -0.008 0.000 0.934 3140 K CA -0.960 55.321 56.287 -0.009 0.000 0.797 3140 K CB 3.950 36.446 32.500 -0.007 0.000 1.270 3140 K HN 0.545 9.128 8.250 -0.014 -0.341 0.431 3141 A N 4.242 127.059 122.820 -0.005 0.000 2.425 3141 A HA 0.124 nan 4.320 nan 0.000 0.242 3141 A C -0.960 176.624 177.584 -0.000 0.000 1.077 3141 A CA 0.307 52.344 52.037 -0.001 0.000 0.781 3141 A CB 0.805 19.808 19.000 0.005 0.000 1.020 3141 A HN 0.409 8.557 8.150 -0.004 0.000 0.494 3142 V N 1.126 121.040 119.914 0.000 0.000 2.492 3142 V HA 0.024 nan 4.120 nan 0.000 0.241 3142 V C 0.674 176.770 176.094 0.003 0.000 1.041 3142 V CA 1.491 63.790 62.300 -0.001 0.000 1.057 3142 V CB 0.480 32.300 31.823 -0.004 0.000 0.711 3142 V HN 0.559 9.116 8.190 0.001 -0.367 0.468 3143 Q N -1.080 118.725 119.800 0.007 0.000 2.392 3143 Q HA -0.064 nan 4.340 nan 0.000 0.262 3143 Q C 0.443 176.452 176.000 0.015 0.000 1.003 3143 Q CA 0.194 56.005 55.803 0.012 0.000 0.888 3143 Q CB 0.649 29.399 28.738 0.021 0.000 1.260 3143 Q HN -0.432 8.180 8.270 0.007 -0.338 0.435 3144 E N 1.838 122.048 120.200 0.015 0.000 2.106 3144 E HA -0.218 nan 4.350 nan 0.000 0.192 3144 E C 0.082 176.694 176.600 0.019 0.000 0.984 3144 E CA 1.724 58.133 56.400 0.015 0.000 0.806 3144 E CB 0.389 30.097 29.700 0.014 0.000 0.750 3144 E HN 0.320 8.689 8.360 0.015 0.000 0.458 3145 K N -0.607 119.809 120.400 0.027 0.000 2.716 3145 K HA 0.132 nan 4.320 nan 0.000 0.249 3145 K C -1.270 175.360 176.600 0.050 0.000 1.004 3145 K CA -0.894 55.413 56.287 0.034 0.000 0.968 3145 K CB 0.768 33.286 32.500 0.031 0.000 1.214 3145 K HN -0.581 7.677 8.250 0.028 0.008 0.476 3146 I N 6.298 126.901 120.570 0.055 0.000 2.598 3146 I HA 0.012 nan 4.170 nan 0.000 0.284 3146 I C -1.478 174.707 176.117 0.113 0.000 1.140 3146 I CA -1.625 59.723 61.300 0.079 0.000 1.420 3146 I CB 0.099 38.142 38.000 0.072 0.000 1.387 3146 I HN 0.194 8.431 8.210 0.045 0.000 0.553 3147 P HA 0.057 nan 4.420 nan 0.000 0.271 3147 P C -1.747 175.726 177.300 0.288 0.000 1.216 3147 P CA 0.002 63.233 63.100 0.217 0.000 0.771 3147 P CB 0.291 32.209 31.700 0.363 0.000 0.864 3148 I N 2.783 123.476 120.570 0.204 0.000 2.382 3148 I HA 0.379 nan 4.170 nan 0.000 0.286 3148 I C -1.319 174.930 176.117 0.221 0.000 1.002 3148 I CA -0.675 60.768 61.300 0.237 0.000 1.135 3148 I CB 2.069 40.148 38.000 0.133 0.000 1.288 3148 I HN 0.281 8.901 8.210 0.100 -0.351 0.448 3149 Y N 6.628 127.014 120.300 0.143 0.000 2.342 3149 Y HA 0.500 nan 4.550 nan 0.000 0.334 3149 Y C -1.261 174.659 175.900 0.034 0.000 1.067 3149 Y CA -1.708 56.436 58.100 0.074 0.000 1.128 3149 Y CB 2.328 40.812 38.460 0.040 0.000 1.200 3149 Y HN 1.072 9.607 8.280 0.620 0.117 0.464 3150 M N 2.651 122.333 119.600 0.137 0.000 2.268 3150 M HA 0.375 nan 4.480 nan 0.000 0.344 3150 M C -0.003 176.342 176.300 0.074 0.000 1.106 3150 M CA -0.916 54.442 55.300 0.096 0.000 1.010 3150 M CB 2.898 35.537 32.600 0.064 0.000 1.649 3150 M HN 0.668 9.011 8.290 0.088 0.000 0.443 3151 G N 1.800 110.644 108.800 0.073 0.000 2.361 3151 G HA2 0.138 nan 3.960 nan 0.000 0.260 3151 G HA3 0.138 nan 3.960 nan 0.000 0.260 3151 G C -1.875 173.062 174.900 0.062 0.000 1.261 3151 G CA -0.406 44.731 45.100 0.061 0.000 0.897 3151 G HN 0.473 8.699 8.290 0.090 0.118 0.499 3152 A N 6.326 129.173 122.820 0.044 0.000 2.385 3152 A HA 0.311 nan 4.320 nan 0.000 0.290 3152 A C -1.018 176.571 177.584 0.008 0.000 1.094 3152 A CA -0.295 51.760 52.037 0.031 0.000 0.729 3152 A CB 1.719 20.733 19.000 0.024 0.000 1.194 3152 A HN -0.305 7.870 8.150 0.041 0.000 0.442 3153 Q N 1.718 121.522 119.800 0.007 0.000 2.189 3153 Q HA 0.115 nan 4.340 nan 0.000 0.223 3153 Q C -0.054 175.933 176.000 -0.022 0.000 0.828 3153 Q CA -0.665 55.127 55.803 -0.018 0.000 0.967 3153 Q CB 1.202 29.935 28.738 -0.008 0.000 1.139 3153 Q HN 0.412 8.697 8.270 0.025 0.000 0.497 3154 G N -1.088 107.706 108.800 -0.011 0.000 2.658 3154 G HA2 0.531 nan 3.960 nan 0.000 0.292 3154 G HA3 0.531 nan 3.960 nan 0.000 0.292 3154 G C -2.261 172.628 174.900 -0.018 0.000 1.320 3154 G CA -1.916 43.174 45.100 -0.016 0.000 0.933 3154 G HN -0.698 7.592 8.290 0.000 0.000 0.476 3155 P HA -0.305 nan 4.420 nan 0.000 0.215 3155 P C 1.762 179.054 177.300 -0.014 0.000 1.157 3155 P CA 2.609 65.698 63.100 -0.019 0.000 0.874 3155 P CB 0.594 32.283 31.700 -0.019 0.000 0.790 3156 M N -2.968 116.624 119.600 -0.014 0.000 2.175 3156 M HA -0.234 nan 4.480 nan 0.000 0.264 3156 M C 1.661 177.958 176.300 -0.005 0.000 1.063 3156 M CA 3.746 59.039 55.300 -0.012 0.000 1.119 3156 M CB -0.155 32.435 32.600 -0.017 0.000 1.377 3156 M HN -0.130 8.150 8.290 -0.016 0.000 0.415 3157 M N -1.483 118.117 119.600 -0.001 0.000 2.175 3157 M HA -0.280 nan 4.480 nan 0.000 0.264 3157 M C 2.574 178.879 176.300 0.009 0.000 1.063 3157 M CA 2.652 57.959 55.300 0.011 0.000 1.119 3157 M CB -1.290 31.324 32.600 0.023 0.000 1.377 3157 M HN -0.098 8.189 8.290 -0.004 0.000 0.415 3158 L N -0.620 120.604 121.223 0.001 0.000 2.017 3158 L HA -0.485 nan 4.340 nan 0.000 0.208 3158 L C 1.828 178.697 176.870 -0.001 0.000 1.073 3158 L CA 3.377 58.217 54.840 -0.000 0.000 0.745 3158 L CB -0.749 41.306 42.059 -0.008 0.000 0.894 3158 L HN 0.292 8.520 8.230 -0.003 0.000 0.432 3159 K N -1.319 119.079 120.400 -0.003 0.000 2.057 3159 K HA -0.388 nan 4.320 nan 0.000 0.207 3159 K C 2.316 178.914 176.600 -0.003 0.000 1.049 3159 K CA 3.823 60.107 56.287 -0.004 0.000 0.931 3159 K CB -0.096 32.401 32.500 -0.006 0.000 0.714 3159 K HN -0.066 8.181 8.250 -0.005 0.000 0.440 3160 T N 1.315 115.869 114.554 -0.001 0.000 2.821 3160 T HA -0.220 nan 4.350 nan 0.000 0.267 3160 T C 1.671 176.372 174.700 0.002 0.000 1.046 3160 T CA 4.378 66.479 62.100 0.001 0.000 1.139 3160 T CB -0.596 68.275 68.868 0.005 0.000 0.871 3160 T HN -0.268 7.967 8.240 -0.000 0.005 0.454 3161 A N 0.714 123.535 122.820 0.003 0.000 1.908 3161 A HA -0.226 nan 4.320 nan 0.000 0.218 3161 A C 2.349 179.924 177.584 -0.015 0.000 1.181 3161 A CA 2.956 54.992 52.037 -0.002 0.000 0.627 3161 A CB -0.928 18.074 19.000 0.002 0.000 0.818 3161 A HN 0.302 8.268 8.150 0.005 0.187 0.445 3162 G N -1.260 107.533 108.800 -0.011 0.000 2.418 3162 G HA2 -0.390 nan 3.960 nan 0.000 0.217 3162 G HA3 -0.390 nan 3.960 nan 0.000 0.217 3162 G C 1.115 176.007 174.900 -0.014 0.000 1.158 3162 G CA 1.915 47.006 45.100 -0.015 0.000 0.771 3162 G HN 0.026 8.232 8.290 -0.006 0.080 0.545 3163 E N 1.053 121.247 120.200 -0.009 0.000 2.072 3163 E HA -0.222 nan 4.350 nan 0.000 0.191 3163 E C 1.764 178.360 176.600 -0.008 0.000 0.985 3163 E CA 2.423 58.819 56.400 -0.007 0.000 0.801 3163 E CB 0.288 29.985 29.700 -0.005 0.000 0.750 3163 E HN -0.467 7.817 8.360 -0.007 0.071 0.452 3164 I N -9.910 110.656 120.570 -0.007 0.000 4.240 3164 I HA 0.389 nan 4.170 nan 0.000 0.331 3164 I C -0.839 175.273 176.117 -0.007 0.000 1.381 3164 I CA -0.667 60.631 61.300 -0.004 0.000 1.136 3164 I CB 1.805 39.807 38.000 0.003 0.000 1.137 3164 I HN -0.059 8.147 8.210 -0.006 0.000 0.411 3165 S N 1.200 116.888 115.700 -0.020 0.000 2.766 3165 S HA 0.457 nan 4.470 nan 0.000 0.307 3165 S C -0.464 174.083 174.600 -0.089 0.000 1.121 3165 S CA -1.020 57.157 58.200 -0.038 0.000 0.980 3165 S CB 3.185 66.364 63.200 -0.036 0.000 1.159 3165 S HN -0.150 8.049 8.310 -0.023 0.097 0.546 3166 D N -1.165 119.138 120.400 -0.162 0.000 2.398 3166 D HA 0.298 nan 4.640 nan 0.000 0.210 3166 D C -0.602 175.397 176.300 -0.503 0.000 1.094 3166 D CA 0.698 54.552 54.000 -0.244 0.000 0.839 3166 D CB 1.707 42.396 40.800 -0.185 0.000 0.963 3166 D HN 0.329 8.607 8.370 -0.154 0.000 0.506 3167 G N -3.105 105.350 108.800 -0.575 0.000 2.547 3167 G HA2 0.381 nan 3.960 nan 0.000 0.291 3167 G HA3 0.381 nan 3.960 nan 0.000 0.291 3167 G C -3.355 171.421 174.900 -0.206 0.000 1.471 3167 G CA 0.277 44.977 45.100 -0.667 0.000 0.798 3167 G HN -1.014 6.996 8.290 -0.368 0.059 0.504 3168 A N -0.149 122.658 122.820 -0.022 0.000 2.335 3168 A HA 0.841 nan 4.320 nan 0.000 0.304 3168 A C -2.051 175.577 177.584 0.073 0.000 1.118 3168 A CA -1.709 50.356 52.037 0.046 0.000 0.757 3168 A CB 2.496 21.517 19.000 0.034 0.000 1.188 3168 A HN 0.570 8.709 8.150 -0.019 0.000 0.460 3169 L N 4.789 126.028 121.223 0.027 0.000 2.259 3169 L HA 0.495 nan 4.340 nan 0.000 0.288 3169 L C -1.161 175.744 176.870 0.058 0.000 1.051 3169 L CA -0.765 54.032 54.840 -0.072 0.000 0.824 3169 L CB 0.518 42.418 42.059 -0.266 0.000 1.206 3169 L HN 0.282 8.426 8.230 0.040 0.110 0.429 3170 I N 4.336 124.974 120.570 0.113 0.000 2.321 3170 I HA 0.065 nan 4.170 nan 0.000 0.291 3170 I C -1.154 175.034 176.117 0.117 0.000 0.998 3170 I CA -1.165 60.192 61.300 0.095 0.000 1.227 3170 I CB 1.073 39.127 38.000 0.090 0.000 1.368 3170 I HN 0.842 9.128 8.210 0.128 0.000 0.466 3171 N N 9.451 128.166 118.700 0.026 0.000 2.671 3171 N HA -0.095 nan 4.740 nan 0.000 0.274 3171 N C -1.745 173.755 175.510 -0.016 0.000 1.188 3171 N CA 0.605 53.643 53.050 -0.019 0.000 1.065 3171 N CB -0.493 37.929 38.487 -0.109 0.000 1.415 3171 N HN 0.379 9.082 8.380 -0.005 -0.326 0.511 3172 A N 2.241 125.098 122.820 0.061 0.000 2.604 3172 A HA 0.316 nan 4.320 nan 0.000 0.295 3172 A C -1.886 175.848 177.584 0.249 0.000 1.067 3172 A CA -0.267 51.802 52.037 0.053 0.000 0.683 3172 A CB 2.590 21.426 19.000 -0.273 0.000 1.281 3172 A HN -0.369 7.848 8.150 0.162 0.030 0.407 3173 S N -1.355 114.470 115.700 0.208 0.000 2.733 3173 S HA 0.200 nan 4.470 nan 0.000 0.247 3173 S C -0.707 174.004 174.600 0.184 0.000 1.043 3173 S CA 0.088 58.413 58.200 0.209 0.000 1.066 3173 S CB 2.234 65.494 63.200 0.099 0.000 1.045 3173 S HN 0.551 8.939 8.310 0.130 0.000 0.586 3174 N N 1.800 120.612 118.700 0.187 0.000 2.314 3174 N HA 0.454 nan 4.740 nan 0.000 0.304 3174 N C -1.944 173.736 175.510 0.283 0.000 1.073 3174 N CA -2.960 50.173 53.050 0.139 0.000 0.822 3174 N CB 2.347 40.829 38.487 -0.009 0.000 1.280 3174 N HN -1.114 7.514 8.380 0.186 -0.136 0.489 3175 P HA -0.339 nan 4.420 nan 0.000 0.216 3175 P C 0.684 178.101 177.300 0.194 0.000 1.154 3175 P CA 2.491 65.724 63.100 0.222 0.000 0.865 3175 P CB 0.466 32.231 31.700 0.108 0.000 0.789 3176 K N -3.589 116.885 120.400 0.124 0.000 2.147 3176 K HA -0.364 nan 4.320 nan 0.000 0.205 3176 K C 2.453 179.035 176.600 -0.031 0.000 1.049 3176 K CA 3.344 59.648 56.287 0.029 0.000 0.936 3176 K CB -0.424 32.052 32.500 -0.041 0.000 0.722 3176 K HN 0.194 8.889 8.250 0.138 -0.362 0.446 3177 D N -0.541 119.842 120.400 -0.028 0.000 2.117 3177 D HA -0.202 nan 4.640 nan 0.000 0.198 3177 D C 2.294 178.405 176.300 -0.314 0.000 0.982 3177 D CA 3.234 57.103 54.000 -0.217 0.000 0.828 3177 D CB -0.322 40.291 40.800 -0.312 0.000 0.967 3177 D HN -0.493 7.904 8.370 0.084 0.023 0.464 3178 F N -1.684 118.269 119.950 0.005 0.000 2.407 3178 F HA -0.156 nan 4.527 nan 0.000 0.299 3178 F C 2.098 177.894 175.800 -0.007 0.000 1.097 3178 F CA 2.717 60.716 58.000 -0.001 0.000 1.422 3178 F CB -0.239 38.763 39.000 0.002 0.000 1.067 3178 F HN -0.788 7.581 8.300 0.115 0.000 0.539 3179 E N 0.493 120.765 120.200 0.120 0.000 2.150 3179 E HA -0.310 nan 4.350 nan 0.000 0.193 3179 E C 0.751 177.361 176.600 0.017 0.000 0.985 3179 E CA 2.742 59.180 56.400 0.063 0.000 0.814 3179 E CB -0.135 29.587 29.700 0.037 0.000 0.752 3179 E HN -0.187 8.099 8.360 0.114 0.143 0.466 3180 A N -1.946 120.859 122.820 -0.025 0.000 1.943 3180 A HA -0.051 nan 4.320 nan 0.000 0.213 3180 A C 1.445 179.004 177.584 -0.042 0.000 1.181 3180 A CA 1.799 53.809 52.037 -0.045 0.000 0.653 3180 A CB 0.020 18.972 19.000 -0.080 0.000 0.833 3180 A HN -0.630 7.373 8.150 -0.044 0.121 0.451 3181 A N -1.114 121.670 122.820 -0.061 0.000 1.854 3181 A HA -0.170 nan 4.320 nan 0.000 0.214 3181 A C 1.888 179.479 177.584 0.011 0.000 1.192 3181 A CA 2.864 54.871 52.037 -0.049 0.000 0.611 3181 A CB -0.542 18.386 19.000 -0.120 0.000 0.832 3181 A HN -0.323 7.697 8.150 -0.084 0.080 0.442 3182 V N -0.784 119.168 119.914 0.063 0.000 2.278 3182 V HA -0.384 nan 4.120 nan 0.000 0.251 3182 V C -0.684 175.430 176.094 0.033 0.000 1.062 3182 V CA 5.852 68.194 62.300 0.069 0.000 1.038 3182 V CB -2.771 29.108 31.823 0.092 0.000 0.646 3182 V HN -0.192 8.054 8.190 0.093 0.000 0.447 3183 P HA -0.226 nan 4.420 nan 0.000 0.216 3183 P C 1.570 178.873 177.300 0.005 0.000 1.150 3183 P CA 3.368 66.474 63.100 0.011 0.000 0.837 3183 P CB -0.494 31.209 31.700 0.006 0.000 0.786 3184 L N -3.402 117.821 121.223 0.001 0.000 2.056 3184 L HA -0.332 nan 4.340 nan 0.000 0.207 3184 L C 2.059 178.929 176.870 -0.000 0.000 1.078 3184 L CA 2.969 57.807 54.840 -0.003 0.000 0.749 3184 L CB -0.330 41.722 42.059 -0.010 0.000 0.901 3184 L HN -0.444 7.677 8.230 0.001 0.109 0.433 3185 I N -0.961 119.613 120.570 0.006 0.000 2.226 3185 I HA -0.615 nan 4.170 nan 0.000 0.245 3185 I C 1.762 177.880 176.117 0.002 0.000 1.100 3185 I CA 4.302 65.605 61.300 0.005 0.000 1.374 3185 I CB -0.496 37.513 38.000 0.014 0.000 1.057 3185 I HN -0.380 7.760 8.210 0.010 0.076 0.413 3186 K N -0.171 120.232 120.400 0.006 0.000 2.057 3186 K HA -0.428 nan 4.320 nan 0.000 0.207 3186 K C 1.717 178.318 176.600 0.001 0.000 1.049 3186 K CA 3.875 60.164 56.287 0.004 0.000 0.931 3186 K CB -0.341 32.163 32.500 0.007 0.000 0.714 3186 K HN 0.276 8.532 8.250 0.010 0.000 0.440 3187 E N -1.230 118.970 120.200 0.000 0.000 2.077 3187 E HA -0.309 nan 4.350 nan 0.000 0.193 3187 E C 2.409 179.007 176.600 -0.003 0.000 0.989 3187 E CA 2.884 59.283 56.400 -0.001 0.000 0.800 3187 E CB -0.246 29.453 29.700 -0.002 0.000 0.746 3187 E HN -0.239 8.040 8.360 0.001 0.082 0.452 3188 G N -2.003 106.795 108.800 -0.003 0.000 2.402 3188 G HA2 -0.260 nan 3.960 nan 0.000 0.216 3188 G HA3 -0.260 nan 3.960 nan 0.000 0.216 3188 G C 0.818 175.715 174.900 -0.005 0.000 1.162 3188 G CA 1.479 46.577 45.100 -0.004 0.000 0.777 3188 G HN -0.350 7.938 8.290 -0.003 0.000 0.539 3189 A N 1.573 124.390 122.820 -0.006 0.000 1.883 3189 A HA -0.302 nan 4.320 nan 0.000 0.217 3189 A C 2.215 179.796 177.584 -0.005 0.000 1.186 3189 A CA 2.858 54.891 52.037 -0.007 0.000 0.624 3189 A CB -0.780 18.215 19.000 -0.008 0.000 0.822 3189 A HN -0.098 7.969 8.150 -0.005 0.080 0.444 3190 E N -1.288 118.910 120.200 -0.003 0.000 2.085 3190 E HA -0.419 nan 4.350 nan 0.000 0.194 3190 E C 2.722 179.320 176.600 -0.002 0.000 0.994 3190 E CA 2.811 59.209 56.400 -0.002 0.000 0.801 3190 E CB -0.201 29.498 29.700 -0.001 0.000 0.743 3190 E HN -0.215 8.143 8.360 -0.003 0.000 0.453 3191 A N -1.173 121.645 122.820 -0.003 0.000 2.024 3191 A HA -0.172 nan 4.320 nan 0.000 0.220 3191 A C 0.676 178.258 177.584 -0.003 0.000 1.164 3191 A CA 2.481 54.516 52.037 -0.003 0.000 0.643 3191 A CB -0.546 18.452 19.000 -0.003 0.000 0.806 3191 A HN -0.382 7.766 8.150 -0.003 0.000 0.451 3192 A N -3.671 119.146 122.820 -0.004 0.000 2.345 3192 A HA 0.106 nan 4.320 nan 0.000 0.225 3192 A C 0.039 177.621 177.584 -0.003 0.000 1.243 3192 A CA -0.631 51.404 52.037 -0.004 0.000 0.875 3192 A CB 0.255 19.252 19.000 -0.005 0.000 0.929 3192 A HN -0.427 7.550 8.150 -0.004 0.171 0.502 3193 G N -1.819 106.979 108.800 -0.003 0.000 2.160 3193 G HA2 -0.413 nan 3.960 nan 0.000 0.251 3193 G HA3 -0.413 nan 3.960 nan 0.000 0.251 3193 G C -0.618 174.280 174.900 -0.002 0.000 1.008 3193 G CA 0.405 45.504 45.100 -0.002 0.000 0.724 3193 G HN -0.076 8.054 8.290 -0.002 0.159 0.514 3194 K N -1.028 119.370 120.400 -0.004 0.000 2.303 3194 K HA 0.647 nan 4.320 nan 0.000 0.233 3194 K C -1.513 175.085 176.600 -0.004 0.000 1.046 3194 K CA -2.036 54.248 56.287 -0.005 0.000 0.895 3194 K CB 2.475 34.970 32.500 -0.009 0.000 1.220 3194 K HN -0.081 8.131 8.250 -0.004 0.035 0.470 3195 S N -0.351 115.346 115.700 -0.005 0.000 2.536 3195 S HA 0.238 nan 4.470 nan 0.000 0.298 3195 S C 0.973 175.570 174.600 -0.006 0.000 1.083 3195 S CA -2.151 56.047 58.200 -0.003 0.000 0.995 3195 S CB 2.169 65.369 63.200 -0.001 0.000 1.058 3195 S HN 0.690 9.401 8.310 -0.006 -0.404 0.488 3196 I N 6.157 126.725 120.570 -0.003 0.000 2.530 3196 I HA -0.265 nan 4.170 nan 0.000 0.257 3196 I C 0.333 176.447 176.117 -0.006 0.000 1.179 3196 I CA 1.110 62.407 61.300 -0.004 0.000 1.440 3196 I CB -0.019 37.983 38.000 0.003 0.000 1.087 3196 I HN 0.669 8.879 8.210 -0.001 0.000 0.440 3197 A N -0.739 122.080 122.820 -0.002 0.000 2.121 3197 A HA -0.177 nan 4.320 nan 0.000 0.218 3197 A C 0.883 178.465 177.584 -0.005 0.000 1.154 3197 A CA 2.174 54.211 52.037 -0.000 0.000 0.679 3197 A CB -0.660 18.343 19.000 0.005 0.000 0.795 3197 A HN -0.505 7.617 8.150 -0.001 0.028 0.458 3198 D N -4.114 116.279 120.400 -0.012 0.000 2.347 3198 D HA -0.028 nan 4.640 nan 0.000 0.213 3198 D C -0.388 175.885 176.300 -0.044 0.000 0.985 3198 D CA 1.396 55.384 54.000 -0.020 0.000 0.879 3198 D CB 0.644 41.433 40.800 -0.018 0.000 0.919 3198 D HN -0.197 8.004 8.370 -0.010 0.164 0.526 3199 I N -0.461 120.080 120.570 -0.049 0.000 2.321 3199 I HA -0.035 nan 4.170 nan 0.000 0.291 3199 I C -1.510 174.557 176.117 -0.083 0.000 0.998 3199 I CA -1.499 59.749 61.300 -0.087 0.000 1.227 3199 I CB 0.999 38.959 38.000 -0.066 0.000 1.368 3199 I HN -0.775 7.241 8.210 -0.032 0.175 0.466 3200 D N 8.983 129.297 120.400 -0.142 0.000 2.352 3200 D HA 0.031 nan 4.640 nan 0.000 0.245 3200 D C -0.684 175.592 176.300 -0.039 0.000 1.224 3200 D CA -0.511 53.448 54.000 -0.069 0.000 0.879 3200 D CB 0.619 41.407 40.800 -0.020 0.000 1.057 3200 D HN 0.376 8.485 8.370 -0.252 0.111 0.491 3201 V N 6.893 126.795 119.914 -0.021 0.000 2.370 3201 V HA 0.127 nan 4.120 nan 0.000 0.257 3201 V C -1.260 174.813 176.094 -0.035 0.000 1.064 3201 V CA -0.315 61.987 62.300 0.003 0.000 0.975 3201 V CB -0.395 31.436 31.823 0.013 0.000 1.067 3201 V HN -0.102 8.072 8.190 -0.027 0.000 0.485 3202 A N 8.550 131.369 122.820 -0.003 0.000 2.274 3202 A HA 0.733 nan 4.320 nan 0.000 0.309 3202 A C -2.065 175.478 177.584 -0.068 0.000 1.226 3202 A CA -2.378 49.596 52.037 -0.104 0.000 0.853 3202 A CB 2.361 21.257 19.000 -0.174 0.000 1.146 3202 A HN 0.835 9.014 8.150 0.050 0.000 0.518 3203 A N 5.134 127.849 122.820 -0.175 0.000 2.391 3203 A HA 0.329 nan 4.320 nan 0.000 0.316 3203 A C -1.744 175.796 177.584 -0.073 0.000 1.381 3203 A CA -1.598 50.421 52.037 -0.031 0.000 0.998 3203 A CB 0.467 19.283 19.000 -0.307 0.000 1.147 3203 A HN 0.845 8.836 8.150 -0.266 0.000 0.545 3204 Y N 8.642 128.889 120.300 -0.088 0.000 2.636 3204 Y HA 0.000 nan 4.550 nan 0.000 0.341 3204 Y C -1.016 174.813 175.900 -0.118 0.000 1.169 3204 Y CA -1.661 56.330 58.100 -0.182 0.000 1.498 3204 Y CB -1.131 37.215 38.460 -0.190 0.000 1.362 3204 Y HN 0.358 8.681 8.280 0.243 0.103 0.494 3205 T N 1.637 116.220 114.554 0.049 0.000 2.918 3205 T HA 0.181 nan 4.350 nan 0.000 0.283 3205 T C -1.331 173.387 174.700 0.029 0.000 1.001 3205 T CA -2.166 59.951 62.100 0.028 0.000 1.041 3205 T CB 2.572 71.438 68.868 -0.003 0.000 1.028 3205 T HN -0.343 7.818 8.240 -0.106 0.015 0.511 3206 C N 3.783 123.104 119.300 0.036 0.000 2.464 3206 C HA 0.414 nan 4.460 nan 0.000 0.370 3206 C C -1.354 173.687 174.990 0.085 0.000 1.267 3206 C CA -1.529 57.504 59.018 0.026 0.000 1.781 3206 C CB -1.422 26.328 27.740 0.017 0.000 2.431 3206 C HN 0.068 8.328 8.230 0.050 0.000 0.556 3207 C N 9.709 129.080 119.300 0.119 0.000 2.408 3207 C HA 0.726 nan 4.460 nan 0.000 0.321 3207 C C -2.573 172.560 174.990 0.237 0.000 1.245 3207 C CA -1.971 57.197 59.018 0.250 0.000 1.523 3207 C CB 2.115 30.077 27.740 0.370 0.000 2.178 3207 C HN 0.481 8.644 8.230 0.073 0.111 0.488 3208 S N 6.635 122.537 115.700 0.337 0.000 2.750 3208 S HA 0.565 nan 4.470 nan 0.000 0.276 3208 S C -2.313 172.520 174.600 0.389 0.000 1.165 3208 S CA -0.457 57.899 58.200 0.259 0.000 1.047 3208 S CB 1.566 64.858 63.200 0.154 0.000 1.056 3208 S HN 0.347 8.916 8.310 0.432 0.000 0.481 3209 I N 5.278 125.972 120.570 0.206 0.000 2.569 3209 I HA 0.666 nan 4.170 nan 0.000 0.296 3209 I C -3.061 173.060 176.117 0.007 0.000 1.028 3209 I CA -1.529 59.790 61.300 0.031 0.000 1.082 3209 I CB 2.839 40.534 38.000 -0.508 0.000 1.264 3209 I HN 0.424 8.708 8.210 0.123 0.000 0.429 3210 D N 7.217 127.629 120.400 0.021 0.000 2.683 3210 D HA 0.137 nan 4.640 nan 0.000 0.246 3210 D C -1.305 175.009 176.300 0.023 0.000 1.238 3210 D CA -0.834 53.177 54.000 0.017 0.000 0.759 3210 D CB 2.621 43.444 40.800 0.038 0.000 1.349 3210 D HN 0.127 8.529 8.370 0.053 0.000 0.426 3211 E N -0.402 119.806 120.200 0.013 0.000 2.118 3211 E HA -0.265 nan 4.350 nan 0.000 0.195 3211 E C 0.340 176.958 176.600 0.030 0.000 0.992 3211 E CA 1.710 58.120 56.400 0.017 0.000 0.804 3211 E CB 0.200 29.906 29.700 0.010 0.000 0.741 3211 E HN 0.236 8.600 8.360 0.008 0.000 0.458 3212 D N -0.149 120.270 120.400 0.033 0.000 2.411 3212 D HA 0.085 nan 4.640 nan 0.000 0.225 3212 D C -0.329 176.002 176.300 0.051 0.000 1.156 3212 D CA -1.218 52.805 54.000 0.038 0.000 0.874 3212 D CB 0.496 41.316 40.800 0.032 0.000 1.034 3212 D HN -0.066 8.751 8.370 0.028 -0.430 0.502 3213 A N 6.611 129.466 122.820 0.058 0.000 1.986 3213 A HA -0.329 nan 4.320 nan 0.000 0.220 3213 A C 1.200 178.822 177.584 0.064 0.000 1.171 3213 A CA 2.973 55.054 52.037 0.072 0.000 0.640 3213 A CB -0.388 18.652 19.000 0.067 0.000 0.811 3213 A HN 0.367 8.547 8.150 0.051 0.000 0.451 3214 A N -2.510 120.341 122.820 0.051 0.000 1.873 3214 A HA -0.258 nan 4.320 nan 0.000 0.215 3214 A C 1.672 179.286 177.584 0.049 0.000 1.186 3214 A CA 2.758 54.823 52.037 0.047 0.000 0.616 3214 A CB -0.706 18.318 19.000 0.039 0.000 0.823 3214 A HN 0.024 8.356 8.150 0.046 -0.155 0.442 3215 A N -1.949 120.899 122.820 0.047 0.000 1.940 3215 A HA -0.306 nan 4.320 nan 0.000 0.219 3215 A C 1.886 179.503 177.584 0.054 0.000 1.176 3215 A CA 2.776 54.840 52.037 0.045 0.000 0.631 3215 A CB -0.703 18.320 19.000 0.039 0.000 0.814 3215 A HN -0.160 8.365 8.150 0.044 -0.349 0.446 3216 A N -2.200 120.661 122.820 0.067 0.000 1.858 3216 A HA -0.306 nan 4.320 nan 0.000 0.216 3216 A C 1.845 179.480 177.584 0.085 0.000 1.190 3216 A CA 2.791 54.881 52.037 0.089 0.000 0.617 3216 A CB -0.661 18.416 19.000 0.128 0.000 0.827 3216 A HN -0.223 7.853 8.150 0.066 0.114 0.443 3217 A N -2.243 120.622 122.820 0.076 0.000 1.908 3217 A HA -0.367 nan 4.320 nan 0.000 0.218 3217 A C 2.094 179.713 177.584 0.059 0.000 1.181 3217 A CA 3.025 55.100 52.037 0.065 0.000 0.627 3217 A CB -0.663 18.371 19.000 0.056 0.000 0.818 3217 A HN -0.223 7.971 8.150 0.074 0.000 0.445 3218 N N -2.117 116.617 118.700 0.055 0.000 2.166 3218 N HA -0.319 nan 4.740 nan 0.000 0.186 3218 N C 1.899 177.438 175.510 0.048 0.000 1.019 3218 N CA 2.733 55.815 53.050 0.052 0.000 0.856 3218 N CB -0.373 38.142 38.487 0.048 0.000 0.993 3218 N HN -0.266 8.147 8.380 0.055 0.000 0.426 3219 A N -2.758 120.089 122.820 0.045 0.000 2.119 3219 A HA -0.016 nan 4.320 nan 0.000 0.217 3219 A C 0.542 178.143 177.584 0.028 0.000 1.153 3219 A CA 1.991 54.048 52.037 0.034 0.000 0.692 3219 A CB -0.409 18.611 19.000 0.034 0.000 0.799 3219 A HN -0.650 7.529 8.150 0.050 0.000 0.458 3220 A N -2.887 119.957 122.820 0.039 0.000 2.147 3220 A HA 0.051 nan 4.320 nan 0.000 0.211 3220 A C 1.482 179.084 177.584 0.030 0.000 1.160 3220 A CA 1.455 53.511 52.037 0.032 0.000 0.781 3220 A CB 0.023 19.052 19.000 0.048 0.000 0.842 3220 A HN -0.568 7.453 8.150 0.049 0.159 0.475 3221 K N 0.132 120.559 120.400 0.044 0.000 2.034 3221 K HA -0.421 nan 4.320 nan 0.000 0.214 3221 K C 2.001 178.639 176.600 0.063 0.000 1.051 3221 K CA 3.479 59.801 56.287 0.058 0.000 0.931 3221 K CB -0.446 32.102 32.500 0.079 0.000 0.715 3221 K HN -0.623 7.656 8.250 0.048 0.000 0.446 3222 I N -1.748 118.860 120.570 0.064 0.000 2.208 3222 I HA -0.365 nan 4.170 nan 0.000 0.245 3222 I C 1.376 177.564 176.117 0.118 0.000 1.097 3222 I CA 2.673 64.030 61.300 0.095 0.000 1.363 3222 I CB -0.201 37.814 38.000 0.026 0.000 1.051 3222 I HN -0.008 8.232 8.210 0.049 0.000 0.413 3223 V N -0.496 119.425 119.914 0.011 0.000 2.295 3223 V HA -0.384 nan 4.120 nan 0.000 0.246 3223 V C 2.258 178.346 176.094 -0.009 0.000 1.049 3223 V CA 3.917 66.196 62.300 -0.035 0.000 1.024 3223 V CB -0.781 30.998 31.823 -0.073 0.000 0.648 3223 V HN -0.777 7.401 8.190 -0.007 0.008 0.447 3224 V N -0.837 119.063 119.914 -0.024 0.000 2.407 3224 V HA -0.458 nan 4.120 nan 0.000 0.248 3224 V C 1.653 177.610 176.094 -0.228 0.000 1.055 3224 V CA 4.263 66.514 62.300 -0.081 0.000 1.049 3224 V CB -1.802 30.008 31.823 -0.021 0.000 0.662 3224 V HN 0.218 8.406 8.190 -0.003 0.000 0.455 3225 A N 0.485 123.202 122.820 -0.172 0.000 1.851 3225 A HA -0.314 nan 4.320 nan 0.000 0.216 3225 A C 1.711 179.143 177.584 -0.254 0.000 1.195 3225 A CA 3.434 55.276 52.037 -0.326 0.000 0.622 3225 A CB -0.863 18.162 19.000 0.041 0.000 0.831 3225 A HN 0.033 8.058 8.150 -0.033 0.105 0.444 3226 F N -2.329 117.508 119.950 -0.188 0.000 2.171 3226 F HA -0.346 nan 4.527 nan 0.000 0.300 3226 F C 2.179 177.841 175.800 -0.230 0.000 1.090 3226 F CA 4.009 61.910 58.000 -0.165 0.000 1.293 3226 F CB -0.376 38.525 39.000 -0.166 0.000 1.013 3226 F HN -0.672 7.867 8.300 0.399 0.000 0.486 3227 I N -0.518 119.975 120.570 -0.128 0.000 2.163 3227 I HA -0.682 nan 4.170 nan 0.000 0.243 3227 I C 1.737 177.537 176.117 -0.529 0.000 1.085 3227 I CA 4.143 65.252 61.300 -0.319 0.000 1.347 3227 I CB -0.543 37.231 38.000 -0.378 0.000 1.044 3227 I HN -0.077 7.993 8.210 -0.085 0.089 0.408 3228 A N -1.022 121.417 122.820 -0.635 0.000 1.877 3228 A HA -0.340 nan 4.320 nan 0.000 0.216 3228 A C 2.204 179.777 177.584 -0.018 0.000 1.186 3228 A CA 3.166 54.925 52.037 -0.464 0.000 0.620 3228 A CB -1.093 17.624 19.000 -0.471 0.000 0.822 3228 A HN 0.264 8.061 8.150 -0.588 0.000 0.443 3229 A N -0.488 122.280 122.820 -0.087 0.000 1.948 3229 A HA -0.246 nan 4.320 nan 0.000 0.220 3229 A C 1.664 179.253 177.584 0.009 0.000 1.177 3229 A CA 2.583 54.620 52.037 -0.001 0.000 0.636 3229 A CB -0.303 18.638 19.000 -0.098 0.000 0.815 3229 A HN 0.319 8.284 8.150 -0.205 0.062 0.449 3230 G N -4.202 104.574 108.800 -0.040 0.000 3.371 3230 G HA2 0.016 nan 3.960 nan 0.000 0.248 3230 G HA3 0.016 nan 3.960 nan 0.000 0.248 3230 G C -0.893 173.987 174.900 -0.033 0.000 1.161 3230 G CA -0.034 45.051 45.100 -0.024 0.000 0.796 3230 G HN -0.128 8.001 8.290 -0.095 0.104 0.539 3231 S N 1.840 117.527 115.700 -0.021 0.000 2.475 3231 S HA 0.309 nan 4.470 nan 0.000 0.298 3231 S C -1.951 172.737 174.600 0.147 0.000 1.119 3231 S CA -2.261 55.906 58.200 -0.055 0.000 1.085 3231 S CB 1.190 64.152 63.200 -0.397 0.000 1.028 3231 S HN -0.440 7.700 8.310 0.030 0.188 0.489 3232 P HA 0.331 nan 4.420 nan 0.000 0.274 3232 P C -0.765 176.679 177.300 0.240 0.000 1.231 3232 P CA -2.163 61.021 63.100 0.140 0.000 0.790 3232 P CB -0.098 31.642 31.700 0.067 0.000 0.951 3233 P HA -0.126 nan 4.420 nan 0.000 0.217 3233 P C -0.346 177.100 177.300 0.243 0.000 1.151 3233 P CA 4.061 67.354 63.100 0.322 0.000 0.849 3233 P CB -2.309 29.488 31.700 0.160 0.000 0.787 3234 P HA -0.074 nan 4.420 nan 0.000 0.223 3234 P C 1.714 179.029 177.300 0.026 0.000 1.144 3234 P CA 2.226 65.362 63.100 0.061 0.000 0.783 3234 P CB -0.608 31.107 31.700 0.025 0.000 0.771 3235 V N -0.713 119.215 119.914 0.024 0.000 2.407 3235 V HA -0.292 nan 4.120 nan 0.000 0.245 3235 V C 1.979 178.045 176.094 -0.047 0.000 1.041 3235 V CA 4.367 66.625 62.300 -0.070 0.000 1.040 3235 V CB -0.596 31.156 31.823 -0.117 0.000 0.671 3235 V HN -0.039 8.031 8.190 0.072 0.164 0.455 3236 F N -1.178 118.884 119.950 0.187 0.000 2.293 3236 F HA -0.376 nan 4.527 nan 0.000 0.300 3236 F C 1.860 177.720 175.800 0.100 0.000 1.086 3236 F CA 3.964 62.090 58.000 0.209 0.000 1.375 3236 F CB -0.410 38.702 39.000 0.186 0.000 1.045 3236 F HN -0.921 7.445 8.300 0.244 0.081 0.516 3237 E N 0.091 120.414 120.200 0.206 0.000 2.051 3237 E HA -0.415 nan 4.350 nan 0.000 0.192 3237 E C 2.701 179.303 176.600 0.004 0.000 0.991 3237 E CA 3.421 59.879 56.400 0.097 0.000 0.799 3237 E CB -0.307 29.434 29.700 0.067 0.000 0.748 3237 E HN 0.143 8.523 8.360 0.222 0.113 0.449 3238 R N -1.322 119.118 120.500 -0.099 0.000 2.105 3238 R HA -0.315 nan 4.340 nan 0.000 0.239 3238 R C 1.878 177.986 176.300 -0.321 0.000 1.135 3238 R CA 2.740 58.687 56.100 -0.256 0.000 0.967 3238 R CB 0.031 30.076 30.300 -0.426 0.000 0.861 3238 R HN -0.591 7.548 8.270 -0.080 0.083 0.442 3239 H N -4.375 114.662 119.070 -0.054 0.000 2.519 3239 H HA 0.072 nan 4.556 nan 0.000 0.289 3239 H C 0.339 175.652 175.328 -0.025 0.000 1.040 3239 H CA -0.760 55.235 56.048 -0.088 0.000 1.165 3239 H CB -0.599 29.031 29.762 -0.220 0.000 1.462 3239 H HN -0.699 7.386 8.280 -0.125 0.121 0.555 3240 G N -0.496 108.356 108.800 0.086 0.000 2.198 3240 G HA2 -0.471 nan 3.960 nan 0.000 0.260 3240 G HA3 -0.471 nan 3.960 nan 0.000 0.260 3240 G C -0.961 174.008 174.900 0.115 0.000 1.025 3240 G CA 0.734 45.883 45.100 0.081 0.000 0.769 3240 G HN -0.443 7.696 8.290 0.046 0.178 0.507 3241 L N -1.078 120.256 121.223 0.184 0.000 2.332 3241 L HA 0.367 nan 4.340 nan 0.000 0.269 3241 L C -2.144 174.845 176.870 0.198 0.000 1.016 3241 L CA -3.275 51.702 54.840 0.228 0.000 0.809 3241 L CB 0.996 43.296 42.059 0.401 0.000 1.280 3241 L HN -0.007 8.322 8.230 0.209 0.026 0.447 3242 P HA 0.000 nan 4.420 nan 0.000 0.266 3242 P C 0.072 177.364 177.300 -0.014 0.000 1.215 3242 P CA -0.187 62.936 63.100 0.039 0.000 0.763 3242 P CB 0.452 32.151 31.700 -0.003 0.000 0.806 3243 A N 5.147 127.983 122.820 0.028 0.000 2.148 3243 A HA -0.296 nan 4.320 nan 0.000 0.222 3243 A C 0.048 177.565 177.584 -0.111 0.000 1.161 3243 A CA 2.476 54.533 52.037 0.034 0.000 0.662 3243 A CB -0.677 18.354 19.000 0.052 0.000 0.799 3243 A HN 0.511 8.686 8.150 0.042 0.000 0.466 3244 D N -7.350 112.946 120.400 -0.173 0.000 2.363 3244 D HA 0.015 nan 4.640 nan 0.000 0.214 3244 D C 1.181 177.283 176.300 -0.330 0.000 1.093 3244 D CA 0.394 54.271 54.000 -0.205 0.000 0.837 3244 D CB -0.234 40.498 40.800 -0.114 0.000 0.948 3244 D HN -0.269 7.920 8.370 -0.137 0.099 0.507 3245 T N 2.730 116.949 114.554 -0.557 0.000 2.665 3245 T HA -0.272 nan 4.350 nan 0.000 0.268 3245 T C 1.890 176.357 174.700 -0.388 0.000 1.035 3245 T CA 5.375 67.177 62.100 -0.495 0.000 1.151 3245 T CB -0.456 68.052 68.868 -0.600 0.000 0.862 3245 T HN 0.681 8.389 8.240 -0.597 0.173 0.438 3246 G N -0.093 108.188 108.800 -0.865 0.000 2.440 3246 G HA2 -0.351 nan 3.960 nan 0.000 0.218 3246 G HA3 -0.351 nan 3.960 nan 0.000 0.218 3246 G C 0.795 175.689 174.900 -0.010 0.000 1.154 3246 G CA 1.984 47.010 45.100 -0.124 0.000 0.767 3246 G HN 0.531 7.766 8.290 -1.739 0.011 0.552 3247 K N 1.515 121.862 120.400 -0.089 0.000 2.057 3247 K HA -0.381 nan 4.320 nan 0.000 0.207 3247 K C 2.350 178.909 176.600 -0.068 0.000 1.049 3247 K CA 3.345 59.598 56.287 -0.057 0.000 0.931 3247 K CB -0.447 32.012 32.500 -0.069 0.000 0.714 3247 K HN -0.271 7.875 8.250 -0.174 0.000 0.440 3248 K N -0.973 119.362 120.400 -0.109 0.000 2.001 3248 K HA -0.314 nan 4.320 nan 0.000 0.214 3248 K C 2.632 179.096 176.600 -0.225 0.000 1.050 3248 K CA 2.842 59.015 56.287 -0.190 0.000 0.934 3248 K CB -0.454 31.881 32.500 -0.275 0.000 0.718 3248 K HN -0.384 7.713 8.250 -0.129 0.076 0.443 3249 F N -2.175 117.709 119.950 -0.111 0.000 2.269 3249 F HA -0.248 nan 4.527 nan 0.000 0.301 3249 F C 2.201 177.913 175.800 -0.146 0.000 1.082 3249 F CA 3.268 61.199 58.000 -0.115 0.000 1.360 3249 F CB -0.606 38.328 39.000 -0.110 0.000 1.041 3249 F HN -0.273 8.107 8.300 0.133 0.000 0.512 3250 G N -0.506 108.313 108.800 0.031 0.000 2.459 3250 G HA2 -0.409 nan 3.960 nan 0.000 0.217 3250 G HA3 -0.409 nan 3.960 nan 0.000 0.217 3250 G C 1.155 176.022 174.900 -0.054 0.000 1.183 3250 G CA 2.049 47.131 45.100 -0.029 0.000 0.776 3250 G HN 0.227 8.406 8.290 0.050 0.142 0.552 3251 E N 2.492 122.654 120.200 -0.063 0.000 2.051 3251 E HA -0.382 nan 4.350 nan 0.000 0.192 3251 E C 2.484 179.039 176.600 -0.075 0.000 0.991 3251 E CA 2.885 59.243 56.400 -0.069 0.000 0.799 3251 E CB -0.229 29.423 29.700 -0.079 0.000 0.748 3251 E HN -0.340 7.979 8.360 -0.068 0.000 0.449 3252 L N -0.944 120.222 121.223 -0.095 0.000 1.989 3252 L HA -0.388 nan 4.340 nan 0.000 0.211 3252 L C 2.265 179.116 176.870 -0.031 0.000 1.071 3252 L CA 3.263 58.054 54.840 -0.081 0.000 0.749 3252 L CB -0.323 41.668 42.059 -0.113 0.000 0.890 3252 L HN -0.483 7.673 8.230 -0.123 0.000 0.431 3253 L N -4.211 116.991 121.223 -0.034 0.000 2.131 3253 L HA -0.364 nan 4.340 nan 0.000 0.210 3253 L C 2.144 179.031 176.870 0.028 0.000 1.092 3253 L CA 1.998 56.831 54.840 -0.010 0.000 0.759 3253 L CB -0.452 41.382 42.059 -0.377 0.000 0.903 3253 L HN 0.077 8.270 8.230 -0.061 0.000 0.435 3254 G N -1.976 106.808 108.800 -0.027 0.000 2.453 3254 G HA2 -0.217 nan 3.960 nan 0.000 0.215 3254 G HA3 -0.217 nan 3.960 nan 0.000 0.215 3254 G C 0.795 175.681 174.900 -0.024 0.000 1.201 3254 G CA 1.147 46.238 45.100 -0.015 0.000 0.784 3254 G HN -0.087 7.961 8.290 -0.053 0.210 0.545 3255 K N 0.458 120.827 120.400 -0.052 0.000 2.074 3255 K HA -0.272 nan 4.320 nan 0.000 0.209 3255 K C 0.957 177.480 176.600 -0.128 0.000 1.048 3255 K CA 1.283 57.523 56.287 -0.078 0.000 0.926 3255 K CB 0.428 32.877 32.500 -0.086 0.000 0.713 3255 K HN -0.052 8.166 8.250 -0.053 0.000 0.444 3256 G N -3.240 105.456 108.800 -0.173 0.000 2.148 3256 G HA2 -0.284 nan 3.960 nan 0.000 0.157 3256 G HA3 -0.284 nan 3.960 nan 0.000 0.157 3256 G C -0.936 173.551 174.900 -0.688 0.000 1.012 3256 G CA -0.570 44.248 45.100 -0.470 0.000 0.677 3256 G HN -0.228 7.910 8.290 -0.095 0.095 0.506 3257 D N 1.773 122.005 120.400 -0.280 0.000 2.608 3257 D HA 0.140 nan 4.640 nan 0.000 0.224 3257 D C 0.453 176.778 176.300 0.042 0.000 1.123 3257 D CA -2.034 51.871 54.000 -0.159 0.000 1.030 3257 D CB -1.327 39.420 40.800 -0.088 0.000 1.093 3257 D HN -0.023 8.253 8.370 -0.158 0.000 0.497 3258 F N 1.778 121.742 119.950 0.023 0.000 2.134 3258 F HA -0.367 nan 4.527 nan 0.000 0.299 3258 F C 1.877 177.710 175.800 0.055 0.000 1.097 3258 F CA 2.029 60.064 58.000 0.059 0.000 1.264 3258 F CB -0.269 38.784 39.000 0.089 0.000 1.001 3258 F HN -0.339 7.642 8.300 -0.444 0.052 0.479 3259 G N -2.209 106.716 108.800 0.209 0.000 2.440 3259 G HA2 -0.394 nan 3.960 nan 0.000 0.218 3259 G HA3 -0.394 nan 3.960 nan 0.000 0.218 3259 G C 1.156 176.111 174.900 0.092 0.000 1.154 3259 G CA 1.730 46.906 45.100 0.126 0.000 0.767 3259 G HN 0.430 8.816 8.290 0.160 0.000 0.552 3260 G N 0.813 109.647 108.800 0.058 0.000 2.408 3260 G HA2 -0.304 nan 3.960 nan 0.000 0.217 3260 G HA3 -0.304 nan 3.960 nan 0.000 0.217 3260 G C 0.703 175.618 174.900 0.025 0.000 1.150 3260 G CA 1.198 46.308 45.100 0.016 0.000 0.776 3260 G HN -0.630 7.886 8.290 0.048 -0.198 0.542 3261 A N 2.245 125.114 122.820 0.081 0.000 1.877 3261 A HA -0.272 nan 4.320 nan 0.000 0.216 3261 A C 2.057 179.794 177.584 0.255 0.000 1.186 3261 A CA 2.791 54.920 52.037 0.154 0.000 0.620 3261 A CB -0.705 18.437 19.000 0.236 0.000 0.822 3261 A HN -0.404 7.714 8.150 0.113 0.099 0.443 3262 I N -2.907 117.784 120.570 0.202 0.000 2.208 3262 I HA -0.524 nan 4.170 nan 0.000 0.245 3262 I C 2.530 178.737 176.117 0.150 0.000 1.097 3262 I CA 3.353 64.757 61.300 0.174 0.000 1.363 3262 I CB -0.298 37.784 38.000 0.137 0.000 1.051 3262 I HN 0.237 8.562 8.210 0.192 0.000 0.413 3263 G N -1.864 107.002 108.800 0.111 0.000 2.443 3263 G HA2 -0.224 nan 3.960 nan 0.000 0.219 3263 G HA3 -0.224 nan 3.960 nan 0.000 0.219 3263 G C 0.134 175.084 174.900 0.084 0.000 1.131 3263 G CA 1.139 46.287 45.100 0.079 0.000 0.775 3263 G HN -0.328 7.948 8.290 0.101 0.074 0.547 3264 A N 0.456 123.333 122.820 0.095 0.000 2.067 3264 A HA -0.022 nan 4.320 nan 0.000 0.217 3264 A C 0.432 178.186 177.584 0.284 0.000 1.156 3264 A CA 0.734 52.816 52.037 0.074 0.000 0.683 3264 A CB 0.479 19.345 19.000 -0.223 0.000 0.808 3264 A HN -0.520 7.542 8.150 0.102 0.149 0.455 3265 V N 1.920 122.043 119.914 0.348 0.000 2.450 3265 V HA -0.211 nan 4.120 nan 0.000 0.281 3265 V C -1.100 175.099 176.094 0.175 0.000 1.019 3265 V CA 1.104 63.577 62.300 0.289 0.000 1.062 3265 V CB -1.573 30.363 31.823 0.188 0.000 0.979 3265 V HN -0.695 7.572 8.190 0.330 0.121 0.477 3266 D N 5.338 125.835 120.400 0.162 0.000 2.616 3266 D HA 0.117 nan 4.640 nan 0.000 0.260 3266 D C 0.368 176.715 176.300 0.078 0.000 1.158 3266 D CA -2.058 52.005 54.000 0.106 0.000 1.085 3266 D CB 1.841 42.700 40.800 0.099 0.000 1.222 3266 D HN -0.512 7.976 8.370 0.196 0.000 0.626 3267 D N -0.605 119.827 120.400 0.054 0.000 2.144 3267 D HA -0.235 nan 4.640 nan 0.000 0.199 3267 D C 2.144 178.452 176.300 0.013 0.000 0.984 3267 D CA 3.910 57.928 54.000 0.030 0.000 0.834 3267 D CB -0.275 40.539 40.800 0.024 0.000 0.955 3267 D HN 0.352 8.754 8.370 0.054 0.000 0.465 3268 A N -0.185 122.651 122.820 0.026 0.000 1.933 3268 A HA -0.136 nan 4.320 nan 0.000 0.218 3268 A C 2.420 179.984 177.584 -0.032 0.000 1.175 3268 A CA 2.650 54.691 52.037 0.006 0.000 0.628 3268 A CB -0.617 18.408 19.000 0.043 0.000 0.814 3268 A HN 0.130 8.342 8.150 0.044 -0.036 0.444 3269 L N -2.170 119.073 121.223 0.034 0.000 2.068 3269 L HA -0.355 nan 4.340 nan 0.000 0.204 3269 L C 2.225 179.088 176.870 -0.012 0.000 1.076 3269 L CA 2.746 57.621 54.840 0.058 0.000 0.753 3269 L CB -0.133 42.030 42.059 0.173 0.000 0.910 3269 L HN -0.504 7.970 8.230 0.071 -0.202 0.439 3270 M N -1.499 118.104 119.600 0.006 0.000 2.106 3270 M HA -0.471 nan 4.480 nan 0.000 0.259 3270 M C 2.681 178.932 176.300 -0.082 0.000 1.068 3270 M CA 2.338 57.633 55.300 -0.009 0.000 1.100 3270 M CB -1.363 31.241 32.600 0.007 0.000 1.351 3270 M HN -0.383 7.924 8.290 0.029 0.000 0.404 3271 E N -1.350 118.781 120.200 -0.115 0.000 2.106 3271 E HA -0.243 nan 4.350 nan 0.000 0.192 3271 E C 1.538 177.957 176.600 -0.302 0.000 0.984 3271 E CA 2.524 58.830 56.400 -0.157 0.000 0.806 3271 E CB -0.207 29.423 29.700 -0.116 0.000 0.750 3271 E HN -0.241 8.071 8.360 -0.080 0.000 0.458 3272 A N -2.622 119.887 122.820 -0.518 0.000 1.975 3272 A HA 0.005 nan 4.320 nan 0.000 0.215 3272 A C 1.087 177.973 177.584 -1.163 0.000 1.170 3272 A CA 2.225 53.588 52.037 -1.123 0.000 0.656 3272 A CB 0.632 18.674 19.000 -1.596 0.000 0.821 3272 A HN -0.613 7.175 8.150 -0.395 0.125 0.449 3273 F N -5.529 114.258 119.950 -0.273 0.000 2.698 3273 F HA 0.182 nan 4.527 nan 0.000 0.304 3273 F C -1.713 174.016 175.800 -0.119 0.000 1.108 3273 F CA -0.839 57.042 58.000 -0.199 0.000 1.263 3273 F CB 1.179 40.059 39.000 -0.199 0.000 1.013 3273 F HN 0.072 8.146 8.300 -0.375 0.000 0.532 3274 S N -2.497 113.204 115.700 0.002 0.000 2.636 3274 S HA 0.377 nan 4.470 nan 0.000 0.268 3274 S C -2.377 172.197 174.600 -0.044 0.000 1.159 3274 S CA -1.120 57.087 58.200 0.013 0.000 0.815 3274 S CB 2.618 65.834 63.200 0.027 0.000 1.130 3274 S HN -0.638 7.618 8.310 -0.090 0.000 0.471 3275 V N 1.237 121.117 119.914 -0.056 0.000 2.357 3275 V HA 0.376 nan 4.120 nan 0.000 0.281 3275 V C -1.757 174.152 176.094 -0.309 0.000 1.015 3275 V CA -0.460 61.685 62.300 -0.258 0.000 0.827 3275 V CB 0.654 32.319 31.823 -0.265 0.000 1.018 3275 V HN 0.344 8.540 8.190 0.011 0.000 0.432 3276 V N 5.533 125.311 119.914 -0.227 0.000 3.001 3276 V HA 0.759 nan 4.120 nan 0.000 0.314 3276 V C -0.702 175.439 176.094 0.079 0.000 1.099 3276 V CA -2.199 60.110 62.300 0.015 0.000 0.989 3276 V CB 3.229 35.088 31.823 0.060 0.000 1.040 3276 V HN 0.229 8.291 8.190 -0.214 0.000 0.434 3277 G N 3.739 112.723 108.800 0.306 0.000 2.293 3277 G HA2 -0.121 nan 3.960 nan 0.000 0.282 3277 G HA3 -0.121 nan 3.960 nan 0.000 0.282 3277 G C -1.845 173.258 174.900 0.338 0.000 1.299 3277 G CA -0.186 45.074 45.100 0.268 0.000 1.018 3277 G HN -0.034 8.471 8.290 0.357 0.000 0.478 3278 T N -3.134 111.560 114.554 0.234 0.000 2.874 3278 T HA 0.514 nan 4.350 nan 0.000 0.281 3278 T C -0.846 173.952 174.700 0.162 0.000 0.994 3278 T CA -2.210 59.975 62.100 0.142 0.000 1.015 3278 T CB -0.167 68.755 68.868 0.090 0.000 1.028 3278 T HN 0.318 9.118 8.240 0.192 -0.445 0.523 3279 P HA -0.298 nan 4.420 nan 0.000 0.216 3279 P C 0.944 178.303 177.300 0.098 0.000 1.157 3279 P CA 3.356 66.434 63.100 -0.037 0.000 0.880 3279 P CB 0.175 31.836 31.700 -0.064 0.000 0.791 3280 D N -4.255 116.196 120.400 0.086 0.000 2.149 3280 D HA -0.292 nan 4.640 nan 0.000 0.198 3280 D C 2.434 178.812 176.300 0.130 0.000 0.990 3280 D CA 3.426 57.479 54.000 0.088 0.000 0.839 3280 D CB -0.501 40.332 40.800 0.055 0.000 0.948 3280 D HN 0.440 8.838 8.370 0.063 0.009 0.460 3281 E N -0.464 119.839 120.200 0.172 0.000 2.150 3281 E HA -0.236 nan 4.350 nan 0.000 0.193 3281 E C 2.152 178.856 176.600 0.174 0.000 0.985 3281 E CA 2.244 58.737 56.400 0.154 0.000 0.814 3281 E CB -0.055 29.731 29.700 0.143 0.000 0.752 3281 E HN -0.424 7.925 8.360 0.189 0.125 0.466 3282 F N -1.167 118.799 119.950 0.026 0.000 2.171 3282 F HA -0.256 nan 4.527 nan 0.000 0.300 3282 F C 1.567 177.393 175.800 0.044 0.000 1.090 3282 F CA 3.883 61.887 58.000 0.008 0.000 1.293 3282 F CB -0.306 38.686 39.000 -0.012 0.000 1.013 3282 F HN -0.586 7.978 8.300 0.596 0.094 0.486 3283 I N -1.295 119.448 120.570 0.289 0.000 2.091 3283 I HA -0.410 nan 4.170 nan 0.000 0.239 3283 I C -0.766 175.487 176.117 0.227 0.000 1.061 3283 I CA 6.143 67.624 61.300 0.302 0.000 1.317 3283 I CB -2.595 35.498 38.000 0.156 0.000 1.031 3283 I HN -0.828 7.512 8.210 0.270 0.033 0.401 3284 P HA -0.187 nan 4.420 nan 0.000 0.218 3284 P C 1.655 178.992 177.300 0.061 0.000 1.149 3284 P CA 2.764 65.909 63.100 0.076 0.000 0.817 3284 P CB -0.609 31.115 31.700 0.040 0.000 0.785 3285 K N -0.890 119.524 120.400 0.024 0.000 2.025 3285 K HA -0.246 nan 4.320 nan 0.000 0.207 3285 K C 2.761 179.340 176.600 -0.034 0.000 1.049 3285 K CA 3.389 59.655 56.287 -0.035 0.000 0.933 3285 K CB -0.251 32.169 32.500 -0.134 0.000 0.714 3285 K HN -0.934 7.314 8.250 0.028 0.019 0.438 3286 I N -0.333 120.212 120.570 -0.043 0.000 2.286 3286 I HA -0.544 nan 4.170 nan 0.000 0.248 3286 I C 1.790 177.920 176.117 0.022 0.000 1.115 3286 I CA 4.019 65.238 61.300 -0.135 0.000 1.392 3286 I CB -0.277 37.498 38.000 -0.375 0.000 1.065 3286 I HN 0.168 8.377 8.210 -0.003 0.000 0.418 3287 E N -0.509 119.822 120.200 0.218 0.000 2.077 3287 E HA -0.432 nan 4.350 nan 0.000 0.193 3287 E C 2.369 179.020 176.600 0.085 0.000 0.989 3287 E CA 3.400 59.930 56.400 0.216 0.000 0.800 3287 E CB -0.422 29.380 29.700 0.170 0.000 0.746 3287 E HN -0.143 8.383 8.360 0.276 0.000 0.452 3288 A N -0.610 122.241 122.820 0.052 0.000 1.933 3288 A HA -0.230 nan 4.320 nan 0.000 0.218 3288 A C 2.280 179.870 177.584 0.009 0.000 1.175 3288 A CA 2.938 54.993 52.037 0.029 0.000 0.628 3288 A CB -0.681 18.333 19.000 0.025 0.000 0.814 3288 A HN -0.181 8.003 8.150 0.057 0.000 0.444 3289 L N -3.074 118.134 121.223 -0.024 0.000 2.027 3289 L HA -0.405 nan 4.340 nan 0.000 0.206 3289 L C 2.486 179.280 176.870 -0.127 0.000 1.074 3289 L CA 2.379 57.157 54.840 -0.104 0.000 0.745 3289 L CB -0.355 41.604 42.059 -0.166 0.000 0.898 3289 L HN -0.366 7.746 8.230 -0.020 0.106 0.433 3290 G N -2.157 106.595 108.800 -0.080 0.000 2.442 3290 G HA2 -0.372 nan 3.960 nan 0.000 0.219 3290 G HA3 -0.372 nan 3.960 nan 0.000 0.219 3290 G C 1.632 176.520 174.900 -0.020 0.000 1.141 3290 G CA 1.890 46.957 45.100 -0.055 0.000 0.763 3290 G HN 0.121 8.305 8.290 -0.052 0.075 0.554 3291 E N 1.144 121.347 120.200 0.005 0.000 2.333 3291 E HA -0.229 nan 4.350 nan 0.000 0.198 3291 E C 1.138 177.747 176.600 0.015 0.000 1.007 3291 E CA 2.020 58.430 56.400 0.016 0.000 0.845 3291 E CB -0.080 29.635 29.700 0.024 0.000 0.766 3291 E HN -0.105 8.177 8.360 0.013 0.086 0.507 3292 M N -3.722 115.884 119.600 0.009 0.000 2.431 3292 M HA 0.164 nan 4.480 nan 0.000 0.237 3292 M C 0.227 176.548 176.300 0.035 0.000 1.130 3292 M CA -1.668 53.657 55.300 0.041 0.000 1.002 3292 M CB -0.110 32.547 32.600 0.095 0.000 1.524 3292 M HN -0.474 7.618 8.290 -0.012 0.191 0.482 3293 G N -3.410 105.383 108.800 -0.012 0.000 2.231 3293 G HA2 -0.248 nan 3.960 nan 0.000 0.206 3293 G HA3 -0.248 nan 3.960 nan 0.000 0.206 3293 G C -1.041 173.814 174.900 -0.074 0.000 0.996 3293 G CA -0.142 44.950 45.100 -0.014 0.000 0.645 3293 G HN -0.379 7.729 8.290 -0.023 0.168 0.498 3294 V N 1.486 121.288 119.914 -0.187 0.000 2.485 3294 V HA -0.161 nan 4.120 nan 0.000 0.287 3294 V C 0.530 176.513 176.094 -0.185 0.000 1.022 3294 V CA 1.781 63.902 62.300 -0.299 0.000 1.067 3294 V CB -0.989 30.520 31.823 -0.525 0.000 0.967 3294 V HN -0.559 7.461 8.190 -0.188 0.058 0.479 3295 T N 3.147 117.614 114.554 -0.145 0.000 2.985 3295 T HA 0.155 nan 4.350 nan 0.000 0.254 3295 T C -0.776 173.847 174.700 -0.129 0.000 1.021 3295 T CA -0.007 62.033 62.100 -0.100 0.000 0.957 3295 T CB 1.138 69.981 68.868 -0.041 0.000 1.047 3295 T HN 0.736 8.890 8.240 -0.142 0.000 0.511 3296 Q N 1.586 121.279 119.800 -0.178 0.000 2.274 3296 Q HA 0.508 nan 4.340 nan 0.000 0.268 3296 Q C -2.889 172.954 176.000 -0.261 0.000 1.015 3296 Q CA -1.028 54.647 55.803 -0.213 0.000 0.775 3296 Q CB 3.746 32.363 28.738 -0.202 0.000 1.256 3296 Q HN -0.505 7.652 8.270 -0.188 0.000 0.442 3297 Y N 7.515 127.546 120.300 -0.449 0.000 2.353 3297 Y HA 0.458 nan 4.550 nan 0.000 0.340 3297 Y C -2.554 173.277 175.900 -0.115 0.000 0.972 3297 Y CA -1.651 56.234 58.100 -0.359 0.000 1.157 3297 Y CB 1.947 40.072 38.460 -0.557 0.000 1.157 3297 Y HN 0.964 8.876 8.280 -0.444 0.101 0.495 3298 V N 9.110 128.615 119.914 -0.681 0.000 2.370 3298 V HA 0.342 nan 4.120 nan 0.000 0.279 3298 V C -1.481 174.327 176.094 -0.477 0.000 1.029 3298 V CA -2.034 60.041 62.300 -0.375 0.000 0.870 3298 V CB 0.752 32.334 31.823 -0.402 0.000 0.984 3298 V HN 0.507 8.265 8.190 -0.720 0.000 0.451 3299 A N 8.318 131.099 122.820 -0.065 0.000 2.539 3299 A HA 0.387 nan 4.320 nan 0.000 0.306 3299 A C -0.889 176.695 177.584 0.001 0.000 1.392 3299 A CA -0.872 51.223 52.037 0.096 0.000 1.060 3299 A CB -0.177 19.031 19.000 0.347 0.000 1.134 3299 A HN 0.896 9.038 8.150 0.162 0.105 0.542 3300 G N 1.691 110.505 108.800 0.025 0.000 2.522 3300 G HA2 0.358 nan 3.960 nan 0.000 0.304 3300 G HA3 0.358 nan 3.960 nan 0.000 0.304 3300 G C -0.692 174.192 174.900 -0.027 0.000 1.210 3300 G CA -1.936 43.185 45.100 0.035 0.000 0.960 3300 G HN -0.360 7.936 8.290 0.011 0.000 0.497 3301 S N 0.786 116.443 115.700 -0.073 0.000 2.571 3301 S HA -0.196 nan 4.470 nan 0.000 0.298 3301 S C 0.085 174.656 174.600 -0.049 0.000 1.280 3301 S CA 0.706 58.854 58.200 -0.087 0.000 1.052 3301 S CB -0.608 62.522 63.200 -0.117 0.000 0.799 3301 S HN -0.085 8.523 8.310 -0.074 -0.343 0.501 3302 P HA 0.113 nan 4.420 nan 0.000 0.249 3302 P C 0.370 177.649 177.300 -0.035 0.000 1.229 3302 P CA 0.377 63.453 63.100 -0.041 0.000 0.788 3302 P CB 0.496 32.183 31.700 -0.022 0.000 1.072 3303 I N -3.985 116.581 120.570 -0.007 0.000 4.327 3303 I HA -0.555 nan 4.170 nan 0.000 0.074 3303 I C -1.097 175.052 176.117 0.053 0.000 0.569 3303 I CA 2.342 63.645 61.300 0.005 0.000 1.123 3303 I CB -1.065 36.876 38.000 -0.098 0.000 1.000 3303 I HN 0.751 8.881 8.210 0.014 0.088 0.171 3304 G N -5.399 103.421 108.800 0.033 0.000 2.328 3304 G HA2 0.130 nan 3.960 nan 0.000 0.295 3304 G HA3 0.130 nan 3.960 nan 0.000 0.295 3304 G C -3.416 171.502 174.900 0.030 0.000 1.413 3304 G CA -0.436 44.691 45.100 0.045 0.000 0.817 3304 G HN -0.602 7.590 8.290 0.010 0.104 0.546 3305 P HA -0.176 nan 4.420 nan 0.000 0.216 3305 P C -1.209 176.104 177.300 0.022 0.000 1.153 3305 P CA 1.462 64.578 63.100 0.027 0.000 0.858 3305 P CB 0.569 32.288 31.700 0.030 0.000 0.789 3306 D N -2.667 117.746 120.400 0.022 0.000 2.505 3306 D HA 0.189 nan 4.640 nan 0.000 0.250 3306 D C -0.109 176.206 176.300 0.025 0.000 1.164 3306 D CA -2.116 51.897 54.000 0.022 0.000 0.870 3306 D CB 1.597 42.409 40.800 0.020 0.000 1.160 3306 D HN -0.385 7.983 8.370 0.023 0.016 0.549 3307 K N 5.656 126.076 120.400 0.033 0.000 2.009 3307 K HA -0.424 nan 4.320 nan 0.000 0.210 3307 K C 1.421 178.055 176.600 0.056 0.000 1.049 3307 K CA 3.977 60.292 56.287 0.045 0.000 0.929 3307 K CB 0.073 32.622 32.500 0.082 0.000 0.714 3307 K HN 0.585 8.855 8.250 0.033 0.000 0.440 3308 E N -1.815 118.417 120.200 0.054 0.000 2.058 3308 E HA -0.360 nan 4.350 nan 0.000 0.194 3308 E C 2.158 178.781 176.600 0.039 0.000 0.997 3308 E CA 3.445 59.875 56.400 0.050 0.000 0.801 3308 E CB -0.222 29.499 29.700 0.035 0.000 0.746 3308 E HN -0.266 8.224 8.360 0.049 -0.101 0.450 3309 K N -1.438 118.978 120.400 0.027 0.000 2.026 3309 K HA -0.305 nan 4.320 nan 0.000 0.208 3309 K C 2.677 179.284 176.600 0.013 0.000 1.048 3309 K CA 3.127 59.424 56.287 0.017 0.000 0.929 3309 K CB -0.102 32.405 32.500 0.012 0.000 0.713 3309 K HN -0.626 7.803 8.250 0.027 -0.163 0.439 3310 S N 0.758 116.466 115.700 0.013 0.000 2.383 3310 S HA -0.286 nan 4.470 nan 0.000 0.229 3310 S C 2.125 176.739 174.600 0.022 0.000 1.030 3310 S CA 4.141 62.340 58.200 -0.001 0.000 1.002 3310 S CB -0.383 62.820 63.200 0.005 0.000 0.829 3310 S HN -0.008 8.313 8.310 0.019 0.000 0.467 3311 I N 1.769 122.374 120.570 0.057 0.000 2.226 3311 I HA -0.570 nan 4.170 nan 0.000 0.245 3311 I C 1.419 177.616 176.117 0.134 0.000 1.100 3311 I CA 4.116 65.494 61.300 0.130 0.000 1.374 3311 I CB -0.270 37.800 38.000 0.118 0.000 1.057 3311 I HN 0.206 8.445 8.210 0.050 0.000 0.413 3312 K N -0.221 120.220 120.400 0.068 0.000 2.063 3312 K HA -0.335 nan 4.320 nan 0.000 0.208 3312 K C 2.650 179.249 176.600 -0.001 0.000 1.048 3312 K CA 3.495 59.804 56.287 0.036 0.000 0.928 3312 K CB -0.206 32.306 32.500 0.019 0.000 0.713 3312 K HN -0.645 7.578 8.250 0.057 0.061 0.442 3313 L N -1.457 119.752 121.223 -0.024 0.000 2.083 3313 L HA -0.337 nan 4.340 nan 0.000 0.209 3313 L C 2.237 179.035 176.870 -0.120 0.000 1.083 3313 L CA 2.805 57.599 54.840 -0.077 0.000 0.752 3313 L CB -0.252 41.744 42.059 -0.105 0.000 0.899 3313 L HN 0.159 8.201 8.230 -0.010 0.182 0.433 3314 L N -2.263 118.914 121.223 -0.077 0.000 2.141 3314 L HA -0.350 nan 4.340 nan 0.000 0.209 3314 L C 2.189 178.951 176.870 -0.181 0.000 1.094 3314 L CA 2.881 57.667 54.840 -0.090 0.000 0.763 3314 L CB -0.760 41.425 42.059 0.210 0.000 0.908 3314 L HN 0.451 8.473 8.230 -0.013 0.200 0.437 3315 G N -1.879 106.863 108.800 -0.096 0.000 2.442 3315 G HA2 -0.384 nan 3.960 nan 0.000 0.219 3315 G HA3 -0.384 nan 3.960 nan 0.000 0.219 3315 G C 0.751 175.546 174.900 -0.174 0.000 1.141 3315 G CA 2.476 47.483 45.100 -0.155 0.000 0.763 3315 G HN 0.183 8.340 8.290 -0.005 0.130 0.554 3316 E N 0.897 121.021 120.200 -0.126 0.000 2.077 3316 E HA -0.308 nan 4.350 nan 0.000 0.193 3316 E C 2.378 178.911 176.600 -0.112 0.000 0.989 3316 E CA 2.575 58.914 56.400 -0.102 0.000 0.800 3316 E CB -0.291 29.363 29.700 -0.076 0.000 0.746 3316 E HN -0.734 7.457 8.360 -0.105 0.106 0.452 3317 V N -0.197 119.628 119.914 -0.148 0.000 2.295 3317 V HA -0.317 nan 4.120 nan 0.000 0.246 3317 V C 2.553 178.562 176.094 -0.142 0.000 1.049 3317 V CA 3.907 66.153 62.300 -0.090 0.000 1.024 3317 V CB -0.697 31.049 31.823 -0.129 0.000 0.648 3317 V HN -0.691 7.279 8.190 -0.180 0.112 0.447 3318 I N -0.214 120.055 120.570 -0.502 0.000 2.208 3318 I HA -0.510 nan 4.170 nan 0.000 0.245 3318 I C 1.858 177.831 176.117 -0.241 0.000 1.097 3318 I CA 4.017 64.866 61.300 -0.752 0.000 1.363 3318 I CB -0.599 36.830 38.000 -0.951 0.000 1.051 3318 I HN 0.231 8.123 8.210 -0.530 0.000 0.413 3319 A N -0.940 121.778 122.820 -0.170 0.000 2.125 3319 A HA -0.190 nan 4.320 nan 0.000 0.219 3319 A C 1.088 178.646 177.584 -0.043 0.000 1.156 3319 A CA 2.692 54.678 52.037 -0.085 0.000 0.671 3319 A CB -0.757 18.195 19.000 -0.080 0.000 0.794 3319 A HN -0.072 7.952 8.150 -0.211 0.000 0.459 3320 S N -2.639 113.053 115.700 -0.015 0.000 2.558 3320 S HA 0.023 nan 4.470 nan 0.000 0.217 3320 S C -0.471 173.998 174.600 -0.219 0.000 0.975 3320 S CA 1.593 59.740 58.200 -0.088 0.000 0.912 3320 S CB 0.738 63.887 63.200 -0.086 0.000 0.776 3320 S HN -0.323 7.789 8.310 0.011 0.204 0.526 3321 F N 0.000 119.939 119.950 -0.019 0.000 2.286 3321 F HA 0.000 nan 4.527 nan 0.000 0.279 3321 F CA 0.000 58.040 58.000 0.066 0.000 1.383 3321 F CB 0.000 39.140 39.000 0.233 0.000 1.145 3321 F HN 0.000 8.272 8.300 0.241 0.173 0.574