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 3izi_1_G DATA FIRST_RESID 3079 DATA SEQUENCE VLPENMKRYM GRDAQRMNIL AGRIIAETVR STLGPKGMDK MLVDDLGDVV DATA SEQUENCE VTNDGVTILR EMSVEHPAAK MLIEVAKTQE KEVGDGTTTA VVVAGELLRK DATA SEQUENCE AEELLDQNVH PTIVVKGYQA AAQKAQELLK TIACEVGAQD KEILTKIAMT DATA SEQUENCE SITGKGAEKA KEKLAEIIVE AVSAVVDDEG KVDKDLIKIE KKSGASIDDT DATA SEQUENCE ELIKGVLVDK ERVSAQMPKK VTDAKIALLN CAIEIKETET DAEIRITDPA DATA SEQUENCE KLMEFIEQEE KMLKDMVAEI KASGANVLFC QKGIDDLAQH YLAKEGIVAA DATA SEQUENCE RRVKKSDMEK LAKATGANVI AAIAALSAQD LGDAGLVEER KISGDSMIFV DATA SEQUENCE EECKHPKAVT MLIRGTTEHV IEEVARAVDD AVGVVGCTIE DGRIVSGGGS DATA SEQUENCE TEVELSMKLR EYAEGISGRE QLAVRAFADA LEVIPRTLAE NAGLDAIEIL DATA SEQUENCE VKVRAAHASN GNKCAGLNVF TGAVEDMCEN GVVEPLRVKT QAIQSAAEST DATA SEQUENCE EMLLRIDDVI AAE 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 3079 V HA 0.000 nan 4.120 nan 0.000 0.244 3079 V C 0.000 176.094 176.094 0.000 0.000 1.182 3079 V CA 0.000 62.300 62.300 0.000 0.000 1.235 3079 V CB 0.000 31.825 31.823 0.003 0.000 1.184 3080 L N 3.838 125.060 121.223 -0.002 0.000 2.312 3080 L HA 0.625 4.965 4.340 -0.001 0.000 0.281 3080 L C -2.016 174.851 176.870 -0.006 0.000 1.070 3080 L CA -1.444 53.394 54.840 -0.003 0.000 0.805 3080 L CB 0.255 42.310 42.059 -0.007 0.000 1.174 3080 L HN 0.169 nan 8.230 nan 0.000 0.434 3081 P HA 0.067 nan 4.420 nan 0.000 0.272 3081 P C -0.635 176.660 177.300 -0.010 0.000 1.223 3081 P CA -0.570 62.526 63.100 -0.006 0.000 0.784 3081 P CB 0.577 32.275 31.700 -0.004 0.000 0.923 3082 E N 1.881 122.075 120.200 -0.010 0.000 2.415 3082 E HA -0.042 4.308 4.350 -0.001 0.000 0.260 3082 E C 0.627 177.220 176.600 -0.013 0.000 1.016 3082 E CA 0.810 57.203 56.400 -0.012 0.000 0.924 3082 E CB -0.439 29.254 29.700 -0.010 0.000 0.961 3082 E HN 0.610 nan 8.360 nan 0.000 0.459 3083 N N 2.356 121.045 118.700 -0.018 0.000 2.990 3083 N HA -0.200 4.540 4.740 -0.001 0.000 0.163 3083 N C -0.634 174.865 175.510 -0.019 0.000 1.452 3083 N CA 0.872 53.912 53.050 -0.017 0.000 1.624 3083 N CB -1.140 37.341 38.487 -0.011 0.000 1.088 3083 N HN 0.483 nan 8.380 nan 0.000 0.695 3084 M N 2.606 122.195 119.600 -0.017 0.000 2.238 3084 M HA 0.259 4.739 4.480 -0.001 0.000 0.350 3084 M C -0.419 175.859 176.300 -0.037 0.000 1.321 3084 M CA 0.493 55.784 55.300 -0.015 0.000 1.097 3084 M CB 0.557 33.153 32.600 -0.007 0.000 1.713 3084 M HN 0.055 nan 8.290 nan 0.000 0.455 3085 K N 4.210 124.586 120.400 -0.040 0.000 2.143 3085 K HA 0.512 4.832 4.320 -0.001 0.000 0.272 3085 K C -0.639 175.871 176.600 -0.150 0.000 1.001 3085 K CA -0.664 55.545 56.287 -0.130 0.000 0.915 3085 K CB 1.422 33.841 32.500 -0.135 0.000 1.047 3085 K HN 0.635 nan 8.250 nan 0.000 0.458 3086 R N 2.450 122.778 120.500 -0.287 0.000 2.628 3086 R HA 0.320 4.660 4.340 -0.001 0.000 0.288 3086 R C -1.601 174.483 176.300 -0.359 0.000 0.980 3086 R CA -0.586 55.399 56.100 -0.191 0.000 0.891 3086 R CB 0.950 31.200 30.300 -0.083 0.000 1.188 3086 R HN 0.534 nan 8.270 nan 0.000 0.450 3087 Y N 4.575 124.886 120.300 0.018 0.000 2.446 3087 Y HA 0.547 5.096 4.550 -0.001 0.000 0.345 3087 Y C 0.262 176.168 175.900 0.010 0.000 0.984 3087 Y CA -0.893 57.217 58.100 0.016 0.000 1.058 3087 Y CB 2.210 40.684 38.460 0.024 0.000 1.220 3087 Y HN 0.404 nan 8.280 nan 0.000 0.455 3088 M N 1.102 120.786 119.600 0.140 0.000 2.534 3088 M HA 0.754 5.234 4.480 -0.001 0.000 0.280 3088 M C 0.042 176.376 176.300 0.057 0.000 1.217 3088 M CA -0.203 55.144 55.300 0.078 0.000 0.893 3088 M CB 1.311 33.936 32.600 0.042 0.000 1.730 3088 M HN 0.846 nan 8.290 nan 0.000 0.483 3089 G N 3.036 111.856 108.800 0.034 0.000 2.629 3089 G HA2 -0.408 3.552 3.960 -0.001 0.000 0.313 3089 G HA3 -0.408 3.552 3.960 -0.001 0.000 0.313 3089 G C 0.510 175.416 174.900 0.010 0.000 1.217 3089 G CA 1.523 46.629 45.100 0.010 0.000 0.994 3089 G HN 1.172 nan 8.290 nan 0.000 0.549 3090 R N 1.028 121.531 120.500 0.005 0.000 2.152 3090 R HA -0.004 4.336 4.340 -0.001 0.000 0.232 3090 R C 2.130 178.448 176.300 0.031 0.000 1.117 3090 R CA 2.630 58.734 56.100 0.005 0.000 0.981 3090 R CB -0.622 29.678 30.300 0.001 0.000 0.870 3090 R HN 0.603 nan 8.270 nan 0.000 0.451 3091 D N -0.421 120.019 120.400 0.067 0.000 2.162 3091 D HA -0.012 4.628 4.640 -0.001 0.000 0.203 3091 D C 1.619 178.016 176.300 0.161 0.000 0.967 3091 D CA 1.380 55.465 54.000 0.141 0.000 0.840 3091 D CB -0.139 40.773 40.800 0.187 0.000 0.972 3091 D HN 0.354 nan 8.370 nan 0.000 0.482 3092 A N 1.095 123.995 122.820 0.133 0.000 1.930 3092 A HA -0.174 4.146 4.320 -0.001 0.000 0.217 3092 A C 2.146 179.723 177.584 -0.012 0.000 1.175 3092 A CA 1.153 53.241 52.037 0.085 0.000 0.627 3092 A CB -0.235 18.817 19.000 0.086 0.000 0.815 3092 A HN 0.064 nan 8.150 nan 0.000 0.443 3093 Q N -0.702 119.094 119.800 -0.006 0.000 2.062 3093 Q HA -0.099 4.241 4.340 -0.001 0.000 0.196 3093 Q C 2.276 178.250 176.000 -0.043 0.000 0.967 3093 Q CA 1.375 57.163 55.803 -0.026 0.000 0.832 3093 Q CB -0.412 28.312 28.738 -0.022 0.000 0.899 3093 Q HN 0.750 nan 8.270 nan 0.000 0.442 3094 R N 0.297 120.777 120.500 -0.032 0.000 2.083 3094 R HA -0.109 4.230 4.340 -0.001 0.000 0.237 3094 R C 2.285 178.523 176.300 -0.105 0.000 1.137 3094 R CA 1.368 57.441 56.100 -0.044 0.000 0.951 3094 R CB -0.175 30.118 30.300 -0.010 0.000 0.851 3094 R HN 0.184 nan 8.270 nan 0.000 0.434 3095 M N 1.034 120.540 119.600 -0.157 0.000 2.086 3095 M HA -0.163 4.317 4.480 -0.001 0.000 0.261 3095 M C 1.157 177.251 176.300 -0.344 0.000 1.067 3095 M CA 1.815 56.912 55.300 -0.338 0.000 1.116 3095 M CB -0.770 31.398 32.600 -0.720 0.000 1.348 3095 M HN 0.136 nan 8.290 nan 0.000 0.407 3096 N N 0.861 119.423 118.700 -0.230 0.000 2.166 3096 N HA -0.080 4.660 4.740 -0.001 0.000 0.186 3096 N C 1.809 177.234 175.510 -0.141 0.000 1.019 3096 N CA 1.438 54.388 53.050 -0.166 0.000 0.856 3096 N CB -0.463 37.971 38.487 -0.088 0.000 0.993 3096 N HN 0.483 nan 8.380 nan 0.000 0.426 3097 I N 0.129 120.630 120.570 -0.115 0.000 2.315 3097 I HA -0.197 3.973 4.170 -0.001 0.000 0.248 3097 I C 1.608 177.655 176.117 -0.117 0.000 1.117 3097 I CA 0.540 61.790 61.300 -0.084 0.000 1.404 3097 I CB -0.033 37.936 38.000 -0.051 0.000 1.071 3097 I HN 0.019 nan 8.210 nan 0.000 0.419 3098 L N 0.658 121.781 121.223 -0.167 0.000 2.093 3098 L HA -0.118 4.221 4.340 -0.001 0.000 0.208 3098 L C 2.662 179.377 176.870 -0.259 0.000 1.085 3098 L CA 1.966 56.693 54.840 -0.189 0.000 0.755 3098 L CB -1.264 40.674 42.059 -0.201 0.000 0.904 3098 L HN 0.183 nan 8.230 nan 0.000 0.435 3099 A N -0.625 121.957 122.820 -0.397 0.000 1.858 3099 A HA -0.086 4.234 4.320 -0.001 0.000 0.216 3099 A C 2.409 179.900 177.584 -0.157 0.000 1.190 3099 A CA 1.721 53.515 52.037 -0.404 0.000 0.617 3099 A CB -1.340 17.407 19.000 -0.421 0.000 0.827 3099 A HN 0.419 nan 8.150 nan 0.000 0.443 3100 G N -0.926 107.802 108.800 -0.120 0.000 2.402 3100 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.216 3100 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.216 3100 G C 1.746 176.609 174.900 -0.060 0.000 1.162 3100 G CA 0.985 46.045 45.100 -0.066 0.000 0.777 3100 G HN 0.551 nan 8.290 nan 0.000 0.539 3101 R N 0.003 120.460 120.500 -0.072 0.000 2.075 3101 R HA 0.065 4.404 4.340 -0.001 0.000 0.232 3101 R C 2.507 178.775 176.300 -0.052 0.000 1.126 3101 R CA 1.040 57.105 56.100 -0.059 0.000 0.963 3101 R CB -0.311 29.954 30.300 -0.058 0.000 0.858 3101 R HN 0.407 nan 8.270 nan 0.000 0.435 3102 I N 0.778 121.312 120.570 -0.060 0.000 2.226 3102 I HA -0.288 3.881 4.170 -0.001 0.000 0.245 3102 I C 2.071 178.172 176.117 -0.026 0.000 1.100 3102 I CA 0.824 62.100 61.300 -0.039 0.000 1.374 3102 I CB -0.190 37.789 38.000 -0.036 0.000 1.057 3102 I HN 0.212 nan 8.210 nan 0.000 0.413 3103 I N 1.063 121.617 120.570 -0.026 0.000 2.179 3103 I HA -0.265 3.905 4.170 -0.001 0.000 0.242 3103 I C 2.831 178.934 176.117 -0.023 0.000 1.088 3103 I CA 1.775 63.065 61.300 -0.017 0.000 1.357 3103 I CB -1.506 36.486 38.000 -0.013 0.000 1.051 3103 I HN 0.186 nan 8.210 nan 0.000 0.409 3104 A N 0.156 122.957 122.820 -0.032 0.000 1.969 3104 A HA -0.158 4.162 4.320 -0.001 0.000 0.218 3104 A C 2.170 179.733 177.584 -0.035 0.000 1.169 3104 A CA 1.174 53.189 52.037 -0.037 0.000 0.635 3104 A CB -0.373 18.600 19.000 -0.045 0.000 0.810 3104 A HN 0.337 nan 8.150 nan 0.000 0.445 3105 E N -0.299 119.881 120.200 -0.033 0.000 2.110 3105 E HA -0.112 4.238 4.350 -0.001 0.000 0.193 3105 E C 2.084 178.669 176.600 -0.025 0.000 0.988 3105 E CA 1.698 58.080 56.400 -0.030 0.000 0.804 3105 E CB -0.608 29.075 29.700 -0.028 0.000 0.745 3105 E HN 0.599 nan 8.360 nan 0.000 0.458 3106 T N 0.739 115.280 114.554 -0.022 0.000 2.770 3106 T HA -0.047 4.302 4.350 -0.001 0.000 0.263 3106 T C 2.121 176.808 174.700 -0.020 0.000 1.039 3106 T CA 0.970 63.059 62.100 -0.018 0.000 1.142 3106 T CB -0.097 68.763 68.868 -0.012 0.000 0.868 3106 T HN -0.036 nan 8.240 nan 0.000 0.435 3107 V N 2.759 122.659 119.914 -0.022 0.000 2.591 3107 V HA -0.112 4.008 4.120 -0.001 0.000 0.249 3107 V C 2.630 178.707 176.094 -0.028 0.000 1.053 3107 V CA 1.500 63.786 62.300 -0.023 0.000 1.068 3107 V CB -0.678 31.131 31.823 -0.023 0.000 0.689 3107 V HN 0.522 nan 8.190 nan 0.000 0.462 3108 R N 1.662 122.143 120.500 -0.033 0.000 2.200 3108 R HA -0.142 4.198 4.340 -0.001 0.000 0.234 3108 R C 2.064 178.342 176.300 -0.037 0.000 1.127 3108 R CA 1.731 57.808 56.100 -0.038 0.000 0.989 3108 R CB -0.884 29.391 30.300 -0.042 0.000 0.869 3108 R HN 0.598 nan 8.270 nan 0.000 0.459 3109 S N 0.287 115.968 115.700 -0.033 0.000 2.555 3109 S HA -0.078 4.392 4.470 -0.001 0.000 0.230 3109 S C 1.699 176.279 174.600 -0.033 0.000 0.978 3109 S CA 0.824 59.005 58.200 -0.033 0.000 0.934 3109 S CB -0.063 63.120 63.200 -0.028 0.000 0.766 3109 S HN 0.587 nan 8.310 nan 0.000 0.533 3110 T N -1.037 113.499 114.554 -0.030 0.000 3.060 3110 T HA 0.333 4.683 4.350 -0.001 0.000 0.249 3110 T C 0.375 175.057 174.700 -0.031 0.000 1.079 3110 T CA -0.496 61.587 62.100 -0.028 0.000 1.013 3110 T CB -0.446 68.409 68.868 -0.021 0.000 0.975 3110 T HN 0.279 nan 8.240 nan 0.000 0.518 3111 L N 2.850 124.051 121.223 -0.036 0.000 2.462 3111 L HA 0.523 4.862 4.340 -0.001 0.000 0.272 3111 L C 0.701 177.543 176.870 -0.048 0.000 1.166 3111 L CA 1.596 56.413 54.840 -0.039 0.000 0.880 3111 L CB -0.668 41.365 42.059 -0.044 0.000 1.142 3111 L HN 0.703 nan 8.230 nan 0.000 0.473 3112 G N 4.045 112.820 108.800 -0.042 0.000 2.663 3112 G HA2 -0.149 3.811 3.960 -0.001 0.000 0.686 3112 G HA3 -0.149 3.811 3.960 -0.001 0.000 0.686 3112 G C -2.117 172.745 174.900 -0.064 0.000 1.288 3112 G CA -0.456 44.612 45.100 -0.055 0.000 0.836 3112 G HN 0.481 nan 8.290 nan 0.000 0.584 3113 P HA -0.009 nan 4.420 nan 0.000 0.219 3113 P C 1.370 178.554 177.300 -0.193 0.000 1.146 3113 P CA 1.478 64.509 63.100 -0.115 0.000 0.808 3113 P CB 0.054 31.605 31.700 -0.247 0.000 0.779 3114 K N -0.781 119.481 120.400 -0.230 0.000 2.437 3114 K HA 0.266 4.585 4.320 -0.001 0.000 0.205 3114 K C 0.932 177.471 176.600 -0.103 0.000 1.026 3114 K CA -0.204 55.974 56.287 -0.181 0.000 1.153 3114 K CB -0.301 32.070 32.500 -0.214 0.000 0.863 3114 K HN 0.016 nan 8.250 nan 0.000 0.502 3115 G N 0.525 109.277 108.800 -0.079 0.000 2.594 3115 G HA2 0.167 4.127 3.960 -0.001 0.000 0.243 3115 G HA3 0.167 4.127 3.960 -0.001 0.000 0.243 3115 G C 0.037 174.913 174.900 -0.040 0.000 1.229 3115 G CA -0.384 44.684 45.100 -0.053 0.000 0.843 3115 G HN -0.020 nan 8.290 nan 0.000 0.578 3116 M N 0.072 119.652 119.600 -0.033 0.000 2.705 3116 M HA 0.401 4.880 4.480 -0.001 0.000 0.272 3116 M C -0.483 175.804 176.300 -0.021 0.000 1.172 3116 M CA -0.577 54.707 55.300 -0.026 0.000 0.901 3116 M CB 1.236 33.820 32.600 -0.027 0.000 1.516 3116 M HN 0.344 nan 8.290 nan 0.000 0.530 3117 D N 0.557 120.946 120.400 -0.019 0.000 2.326 3117 D HA 0.473 5.112 4.640 -0.001 0.000 0.248 3117 D C -0.532 175.757 176.300 -0.019 0.000 1.001 3117 D CA -0.334 53.655 54.000 -0.017 0.000 0.961 3117 D CB 1.271 42.061 40.800 -0.017 0.000 1.183 3117 D HN 0.089 nan 8.370 nan 0.000 0.502 3118 K N 0.778 121.167 120.400 -0.019 0.000 2.259 3118 K HA 0.433 4.752 4.320 -0.001 0.000 0.252 3118 K C -0.579 176.007 176.600 -0.024 0.000 0.936 3118 K CA -0.651 55.624 56.287 -0.019 0.000 0.810 3118 K CB 2.309 34.800 32.500 -0.015 0.000 1.143 3118 K HN 0.428 nan 8.250 nan 0.000 0.427 3119 M N 4.055 123.640 119.600 -0.026 0.000 2.036 3119 M HA 0.262 4.742 4.480 -0.001 0.000 0.337 3119 M C -1.544 174.741 176.300 -0.026 0.000 1.012 3119 M CA -0.923 54.357 55.300 -0.033 0.000 0.962 3119 M CB 0.314 32.892 32.600 -0.036 0.000 1.423 3119 M HN 0.333 nan 8.290 nan 0.000 0.405 3120 L N 5.965 127.173 121.223 -0.025 0.000 2.265 3120 L HA 0.493 4.832 4.340 -0.001 0.000 0.289 3120 L C -0.819 176.041 176.870 -0.016 0.000 1.033 3120 L CA -0.235 54.595 54.840 -0.016 0.000 0.814 3120 L CB 1.663 43.717 42.059 -0.010 0.000 1.203 3120 L HN 0.415 nan 8.230 nan 0.000 0.423 3121 V N 2.956 122.863 119.914 -0.012 0.000 2.384 3121 V HA 0.363 4.482 4.120 -0.001 0.000 0.287 3121 V C -0.197 175.895 176.094 -0.004 0.000 1.020 3121 V CA -0.947 61.347 62.300 -0.010 0.000 0.850 3121 V CB 1.523 33.339 31.823 -0.011 0.000 0.987 3121 V HN 0.789 nan 8.190 nan 0.000 0.436 3122 D N 2.375 122.776 120.400 0.000 0.000 2.447 3122 D HA 0.054 4.694 4.640 -0.001 0.000 0.265 3122 D C 0.889 177.190 176.300 0.002 0.000 1.250 3122 D CA -0.472 53.529 54.000 0.002 0.000 1.046 3122 D CB 0.644 41.448 40.800 0.006 0.000 1.095 3122 D HN 0.429 nan 8.370 nan 0.000 0.555 3123 D N -1.693 118.708 120.400 0.002 0.000 2.219 3123 D HA -0.100 4.540 4.640 -0.001 0.000 0.205 3123 D C 1.494 177.796 176.300 0.003 0.000 0.970 3123 D CA 0.685 54.686 54.000 0.002 0.000 0.851 3123 D CB 0.005 40.806 40.800 0.001 0.000 0.943 3123 D HN 0.193 nan 8.370 nan 0.000 0.488 3124 L N -1.101 120.125 121.223 0.005 0.000 2.558 3124 L HA 0.346 4.686 4.340 -0.001 0.000 0.225 3124 L C 2.043 178.918 176.870 0.008 0.000 1.128 3124 L CA 0.972 55.816 54.840 0.007 0.000 0.868 3124 L CB 0.134 42.198 42.059 0.008 0.000 1.006 3124 L HN 0.276 nan 8.230 nan 0.000 0.454 3125 G N -1.498 107.307 108.800 0.007 0.000 2.213 3125 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.226 3125 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.226 3125 G C 0.321 175.228 174.900 0.011 0.000 0.992 3125 G CA 0.113 45.218 45.100 0.007 0.000 0.632 3125 G HN 0.333 nan 8.290 nan 0.000 0.511 3126 D N 0.951 121.361 120.400 0.017 0.000 2.401 3126 D HA 0.414 5.054 4.640 -0.001 0.000 0.254 3126 D C 0.258 176.569 176.300 0.019 0.000 1.192 3126 D CA 0.505 54.522 54.000 0.029 0.000 0.885 3126 D CB 1.315 42.136 40.800 0.034 0.000 1.147 3126 D HN 0.587 nan 8.370 nan 0.000 0.478 3127 V N 4.886 124.807 119.914 0.012 0.000 2.555 3127 V HA 0.608 4.727 4.120 -0.001 0.000 0.302 3127 V C -1.055 175.012 176.094 -0.044 0.000 1.038 3127 V CA -0.638 61.647 62.300 -0.025 0.000 0.887 3127 V CB 1.906 33.696 31.823 -0.055 0.000 0.991 3127 V HN 0.344 nan 8.190 nan 0.000 0.434 3128 V N 6.930 126.821 119.914 -0.038 0.000 2.604 3128 V HA 0.710 4.830 4.120 -0.001 0.000 0.305 3128 V C -0.894 175.168 176.094 -0.053 0.000 1.043 3128 V CA -0.232 62.048 62.300 -0.032 0.000 0.888 3128 V CB 2.272 34.104 31.823 0.016 0.000 0.995 3128 V HN 0.786 nan 8.190 nan 0.000 0.429 3129 V N 5.855 125.729 119.914 -0.067 0.000 2.417 3129 V HA 0.788 4.908 4.120 -0.001 0.000 0.291 3129 V C 0.090 176.173 176.094 -0.018 0.000 1.024 3129 V CA 0.020 62.289 62.300 -0.052 0.000 0.861 3129 V CB 1.594 33.372 31.823 -0.075 0.000 0.985 3129 V HN 1.074 nan 8.190 nan 0.000 0.436 3130 T N 2.596 117.142 114.554 -0.013 0.000 2.769 3130 T HA 0.312 4.662 4.350 -0.001 0.000 0.306 3130 T C 0.072 174.768 174.700 -0.006 0.000 1.400 3130 T CA -0.360 61.738 62.100 -0.003 0.000 1.007 3130 T CB 1.996 70.866 68.868 0.003 0.000 1.392 3130 T HN 0.655 nan 8.240 nan 0.000 0.500 3131 N N 0.804 119.503 118.700 -0.002 0.000 2.210 3131 N HA 0.082 4.821 4.740 -0.001 0.000 0.203 3131 N C -0.315 175.193 175.510 -0.004 0.000 1.175 3131 N CA 0.014 53.061 53.050 -0.005 0.000 0.894 3131 N CB 0.472 38.956 38.487 -0.004 0.000 1.041 3131 N HN 0.693 nan 8.380 nan 0.000 0.506 3132 D N -0.102 120.298 120.400 -0.001 0.000 2.401 3132 D HA 0.187 4.826 4.640 -0.001 0.000 0.254 3132 D C 1.496 177.795 176.300 -0.003 0.000 1.192 3132 D CA 0.289 54.289 54.000 -0.000 0.000 0.885 3132 D CB 1.014 41.816 40.800 0.004 0.000 1.147 3132 D HN 0.269 nan 8.370 nan 0.000 0.478 3133 G N 2.611 111.408 108.800 -0.005 0.000 2.440 3133 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.218 3133 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.218 3133 G C 1.513 176.411 174.900 -0.004 0.000 1.154 3133 G CA 0.731 45.827 45.100 -0.007 0.000 0.767 3133 G HN 0.488 nan 8.290 nan 0.000 0.552 3134 V N 0.824 120.737 119.914 -0.002 0.000 2.270 3134 V HA -0.171 3.949 4.120 -0.001 0.000 0.245 3134 V C 3.179 179.274 176.094 0.001 0.000 1.043 3134 V CA 2.383 64.683 62.300 0.000 0.000 1.014 3134 V CB -0.905 30.919 31.823 0.001 0.000 0.645 3134 V HN 0.401 nan 8.190 nan 0.000 0.447 3135 T N 0.388 114.943 114.554 0.002 0.000 2.720 3135 T HA -0.182 4.168 4.350 -0.001 0.000 0.268 3135 T C 1.795 176.496 174.700 0.002 0.000 1.037 3135 T CA 1.949 64.051 62.100 0.004 0.000 1.144 3135 T CB -0.312 68.560 68.868 0.006 0.000 0.864 3135 T HN 0.338 nan 8.240 nan 0.000 0.444 3136 I N 0.249 120.819 120.570 -0.000 0.000 2.179 3136 I HA -0.137 4.032 4.170 -0.001 0.000 0.242 3136 I C 2.114 178.230 176.117 -0.000 0.000 1.088 3136 I CA 1.007 62.306 61.300 -0.002 0.000 1.357 3136 I CB -0.282 37.715 38.000 -0.005 0.000 1.051 3136 I HN 0.156 nan 8.210 nan 0.000 0.409 3137 L N 0.170 121.393 121.223 0.000 0.000 2.156 3137 L HA -0.088 4.251 4.340 -0.001 0.000 0.208 3137 L C 2.492 179.364 176.870 0.003 0.000 1.095 3137 L CA 1.495 56.336 54.840 0.002 0.000 0.770 3137 L CB -0.957 41.103 42.059 0.001 0.000 0.914 3137 L HN 0.151 nan 8.230 nan 0.000 0.439 3138 R N -0.105 120.397 120.500 0.003 0.000 2.066 3138 R HA -0.106 4.233 4.340 -0.001 0.000 0.232 3138 R C 1.924 178.226 176.300 0.004 0.000 1.131 3138 R CA 1.239 57.342 56.100 0.004 0.000 0.955 3138 R CB 0.044 30.346 30.300 0.004 0.000 0.851 3138 R HN 0.320 nan 8.270 nan 0.000 0.432 3139 E N 1.037 121.239 120.200 0.003 0.000 2.112 3139 E HA -0.074 4.275 4.350 -0.001 0.000 0.190 3139 E C 1.207 177.808 176.600 0.002 0.000 0.979 3139 E CA 0.535 56.938 56.400 0.004 0.000 0.814 3139 E CB -0.354 29.349 29.700 0.004 0.000 0.762 3139 E HN 0.462 nan 8.360 nan 0.000 0.460 3140 M N 0.713 120.314 119.600 0.002 0.000 2.252 3140 M HA 0.098 4.578 4.480 -0.001 0.000 0.333 3140 M C 0.209 176.510 176.300 0.002 0.000 1.111 3140 M CA 0.139 55.440 55.300 0.002 0.000 1.140 3140 M CB 0.434 33.035 32.600 0.002 0.000 1.538 3140 M HN -0.230 nan 8.290 nan 0.000 0.448 3141 S N 2.358 118.058 115.700 0.000 0.000 2.955 3141 S HA 0.468 4.938 4.470 -0.001 0.000 0.294 3141 S C -0.253 174.345 174.600 -0.003 0.000 1.198 3141 S CA -1.001 57.197 58.200 -0.002 0.000 1.008 3141 S CB -0.357 62.840 63.200 -0.005 0.000 1.279 3141 S HN 0.570 nan 8.310 nan 0.000 0.508 3142 V N 3.391 123.305 119.914 0.000 0.000 2.686 3142 V HA 0.215 4.334 4.120 -0.001 0.000 0.295 3142 V C 1.394 177.478 176.094 -0.016 0.000 1.055 3142 V CA -0.102 62.201 62.300 0.005 0.000 1.050 3142 V CB 1.270 33.103 31.823 0.018 0.000 0.984 3142 V HN 0.874 nan 8.190 nan 0.000 0.482 3143 E N 1.932 122.105 120.200 -0.045 0.000 2.256 3143 E HA 0.034 4.384 4.350 -0.001 0.000 0.198 3143 E C 0.458 176.968 176.600 -0.150 0.000 0.908 3143 E CA 0.195 56.519 56.400 -0.127 0.000 0.915 3143 E CB 0.297 29.863 29.700 -0.224 0.000 0.890 3143 E HN 0.743 nan 8.360 nan 0.000 0.484 3144 H N 1.673 120.732 119.070 -0.019 0.000 2.848 3144 H HA 0.074 4.630 4.556 -0.000 0.000 0.317 3144 H C -1.676 173.637 175.328 -0.026 0.000 1.046 3144 H CA -1.217 54.809 56.048 -0.036 0.000 1.470 3144 H CB 1.138 30.865 29.762 -0.059 0.000 1.483 3144 H HN 0.082 nan 8.280 nan 0.000 0.548 3145 P HA -0.133 nan 4.420 nan 0.000 0.218 3145 P C 1.334 178.660 177.300 0.042 0.000 1.148 3145 P CA 1.493 64.622 63.100 0.048 0.000 0.822 3145 P CB 0.269 31.993 31.700 0.039 0.000 0.784 3146 A N 0.243 123.089 122.820 0.043 0.000 1.902 3146 A HA -0.136 4.184 4.320 -0.001 0.000 0.217 3146 A C 2.331 179.923 177.584 0.013 0.000 1.181 3146 A CA 2.153 54.197 52.037 0.011 0.000 0.623 3146 A CB -1.602 17.380 19.000 -0.032 0.000 0.818 3146 A HN 0.203 nan 8.150 nan 0.000 0.443 3147 A N -0.278 122.561 122.820 0.033 0.000 1.933 3147 A HA -0.140 4.179 4.320 -0.001 0.000 0.218 3147 A C 2.070 179.669 177.584 0.025 0.000 1.175 3147 A CA 1.732 53.786 52.037 0.028 0.000 0.628 3147 A CB -0.408 18.626 19.000 0.055 0.000 0.814 3147 A HN 0.554 nan 8.150 nan 0.000 0.444 3148 K N -0.995 119.423 120.400 0.031 0.000 2.147 3148 K HA -0.065 4.255 4.320 -0.001 0.000 0.205 3148 K C 1.829 178.439 176.600 0.017 0.000 1.049 3148 K CA 1.325 57.625 56.287 0.021 0.000 0.936 3148 K CB -0.185 32.328 32.500 0.021 0.000 0.722 3148 K HN 0.376 nan 8.250 nan 0.000 0.446 3149 M N 0.344 119.955 119.600 0.017 0.000 2.334 3149 M HA -0.026 4.454 4.480 -0.001 0.000 0.266 3149 M C 2.136 178.443 176.300 0.013 0.000 1.082 3149 M CA 1.027 56.336 55.300 0.015 0.000 1.141 3149 M CB -0.606 32.004 32.600 0.017 0.000 1.380 3149 M HN 0.183 nan 8.290 nan 0.000 0.440 3150 L N 0.336 121.565 121.223 0.010 0.000 2.083 3150 L HA -0.198 4.141 4.340 -0.001 0.000 0.209 3150 L C 2.218 179.091 176.870 0.005 0.000 1.083 3150 L CA 1.040 55.883 54.840 0.006 0.000 0.752 3150 L CB -0.198 41.860 42.059 -0.001 0.000 0.899 3150 L HN 0.181 nan 8.230 nan 0.000 0.433 3151 I N -0.318 120.255 120.570 0.006 0.000 2.335 3151 I HA -0.307 3.863 4.170 -0.001 0.000 0.251 3151 I C 2.368 178.488 176.117 0.005 0.000 1.129 3151 I CA 1.039 62.343 61.300 0.005 0.000 1.402 3151 I CB -0.341 37.663 38.000 0.007 0.000 1.069 3151 I HN 0.305 nan 8.210 nan 0.000 0.424 3152 E N 0.394 120.598 120.200 0.008 0.000 2.204 3152 E HA -0.152 4.198 4.350 -0.001 0.000 0.195 3152 E C 2.401 179.006 176.600 0.007 0.000 0.990 3152 E CA 1.061 57.466 56.400 0.008 0.000 0.821 3152 E CB -0.207 29.499 29.700 0.010 0.000 0.750 3152 E HN 0.384 nan 8.360 nan 0.000 0.477 3153 V N 1.486 121.404 119.914 0.007 0.000 2.307 3153 V HA -0.219 3.901 4.120 -0.001 0.000 0.245 3153 V C 2.479 178.574 176.094 0.002 0.000 1.045 3153 V CA 1.754 64.057 62.300 0.006 0.000 1.024 3153 V CB -0.852 30.974 31.823 0.005 0.000 0.651 3153 V HN 0.241 nan 8.190 nan 0.000 0.449 3154 A N -0.284 122.536 122.820 0.000 0.000 1.940 3154 A HA -0.247 4.072 4.320 -0.001 0.000 0.219 3154 A C 2.295 179.879 177.584 0.001 0.000 1.176 3154 A CA 2.028 54.064 52.037 -0.001 0.000 0.631 3154 A CB -0.416 18.583 19.000 -0.002 0.000 0.814 3154 A HN 0.557 nan 8.150 nan 0.000 0.446 3155 K N -1.604 118.797 120.400 0.002 0.000 2.062 3155 K HA -0.082 4.238 4.320 -0.001 0.000 0.205 3155 K C 2.137 178.739 176.600 0.003 0.000 1.051 3155 K CA 1.536 57.824 56.287 0.003 0.000 0.941 3155 K CB -0.368 32.134 32.500 0.004 0.000 0.719 3155 K HN 0.422 nan 8.250 nan 0.000 0.440 3156 T N 0.774 115.330 114.554 0.004 0.000 2.995 3156 T HA -0.073 4.276 4.350 -0.001 0.000 0.269 3156 T C 1.775 176.477 174.700 0.004 0.000 1.091 3156 T CA 0.808 62.911 62.100 0.004 0.000 1.128 3156 T CB 0.066 68.938 68.868 0.006 0.000 0.891 3156 T HN 0.085 nan 8.240 nan 0.000 0.492 3157 Q N 0.958 120.760 119.800 0.003 0.000 2.020 3157 Q HA -0.046 4.293 4.340 -0.001 0.000 0.202 3157 Q C 2.301 178.302 176.000 0.001 0.000 0.982 3157 Q CA 1.237 57.041 55.803 0.001 0.000 0.838 3157 Q CB -0.485 28.253 28.738 -0.001 0.000 0.899 3157 Q HN 0.538 nan 8.270 nan 0.000 0.423 3158 E N 0.903 121.104 120.200 0.001 0.000 2.106 3158 E HA -0.146 4.204 4.350 -0.001 0.000 0.192 3158 E C 1.720 178.321 176.600 0.002 0.000 0.984 3158 E CA 0.954 57.355 56.400 0.002 0.000 0.806 3158 E CB 0.229 29.930 29.700 0.002 0.000 0.750 3158 E HN 0.282 nan 8.360 nan 0.000 0.458 3159 K N 0.073 120.474 120.400 0.002 0.000 2.076 3159 K HA -0.127 4.192 4.320 -0.001 0.000 0.204 3159 K C 2.154 178.755 176.600 0.002 0.000 1.051 3159 K CA 1.184 57.472 56.287 0.002 0.000 0.949 3159 K CB -0.012 32.489 32.500 0.002 0.000 0.726 3159 K HN -0.088 nan 8.250 nan 0.000 0.443 3160 E N 0.337 120.539 120.200 0.002 0.000 2.060 3160 E HA -0.097 4.253 4.350 -0.001 0.000 0.189 3160 E C 1.594 178.196 176.600 0.002 0.000 0.974 3160 E CA 1.104 57.505 56.400 0.003 0.000 0.808 3160 E CB 0.515 30.217 29.700 0.003 0.000 0.768 3160 E HN 0.160 nan 8.360 nan 0.000 0.453 3161 V N -4.940 114.975 119.914 0.002 0.000 3.497 3161 V HA 0.586 4.705 4.120 -0.001 0.000 0.272 3161 V C 1.389 177.485 176.094 0.003 0.000 1.474 3161 V CA 0.742 63.044 62.300 0.003 0.000 1.025 3161 V CB 0.493 32.318 31.823 0.003 0.000 0.820 3161 V HN 0.304 nan 8.190 nan 0.000 0.437 3162 G N 0.693 109.495 108.800 0.002 0.000 3.586 3162 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.212 3162 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.212 3162 G C 0.203 175.104 174.900 0.002 0.000 1.411 3162 G CA 0.499 45.600 45.100 0.003 0.000 0.898 3162 G HN 0.629 nan 8.290 nan 0.000 0.575 3163 D N 0.804 121.205 120.400 0.003 0.000 2.511 3163 D HA 0.495 5.134 4.640 -0.001 0.000 0.276 3163 D C 1.519 177.818 176.300 -0.001 0.000 1.220 3163 D CA 1.158 55.159 54.000 0.002 0.000 1.077 3163 D CB 0.657 41.459 40.800 0.004 0.000 1.126 3163 D HN 1.596 nan 8.370 nan 0.000 0.583 3164 G N -0.629 108.169 108.800 -0.004 0.000 2.143 3164 G HA2 -0.312 3.648 3.960 -0.001 0.000 0.249 3164 G HA3 -0.312 3.648 3.960 -0.001 0.000 0.249 3164 G C 1.036 175.930 174.900 -0.011 0.000 0.981 3164 G CA 1.479 46.574 45.100 -0.008 0.000 0.665 3164 G HN 0.593 nan 8.290 nan 0.000 0.528 3165 T N -2.059 112.490 114.554 -0.009 0.000 2.588 3165 T HA -0.149 4.200 4.350 -0.001 0.000 0.261 3165 T C 2.202 176.893 174.700 -0.016 0.000 1.069 3165 T CA 2.621 64.715 62.100 -0.010 0.000 1.172 3165 T CB -1.009 67.855 68.868 -0.007 0.000 0.863 3165 T HN 0.342 nan 8.240 nan 0.000 0.408 3166 T N 1.849 116.392 114.554 -0.017 0.000 2.635 3166 T HA -0.151 4.199 4.350 -0.001 0.000 0.267 3166 T C 2.275 176.956 174.700 -0.032 0.000 1.040 3166 T CA 2.088 64.173 62.100 -0.024 0.000 1.156 3166 T CB -1.241 67.613 68.868 -0.024 0.000 0.863 3166 T HN 0.566 nan 8.240 nan 0.000 0.430 3167 T N 2.001 116.535 114.554 -0.032 0.000 2.635 3167 T HA -0.161 4.189 4.350 -0.001 0.000 0.267 3167 T C 2.345 177.015 174.700 -0.050 0.000 1.040 3167 T CA 1.529 63.604 62.100 -0.042 0.000 1.156 3167 T CB -0.699 68.147 68.868 -0.036 0.000 0.863 3167 T HN 0.473 nan 8.240 nan 0.000 0.430 3168 A N 0.662 123.459 122.820 -0.038 0.000 1.933 3168 A HA -0.038 4.282 4.320 -0.001 0.000 0.218 3168 A C 2.601 180.160 177.584 -0.042 0.000 1.175 3168 A CA 1.441 53.456 52.037 -0.038 0.000 0.628 3168 A CB -0.906 18.081 19.000 -0.020 0.000 0.814 3168 A HN 0.377 nan 8.150 nan 0.000 0.444 3169 V N -0.508 119.385 119.914 -0.036 0.000 2.358 3169 V HA -0.196 3.924 4.120 -0.001 0.000 0.246 3169 V C 2.548 178.613 176.094 -0.048 0.000 1.047 3169 V CA 1.835 64.115 62.300 -0.035 0.000 1.035 3169 V CB -0.735 31.072 31.823 -0.026 0.000 0.658 3169 V HN 0.362 nan 8.190 nan 0.000 0.452 3170 V N 0.847 120.728 119.914 -0.055 0.000 2.307 3170 V HA -0.199 3.921 4.120 -0.001 0.000 0.245 3170 V C 2.581 178.622 176.094 -0.088 0.000 1.045 3170 V CA 2.184 64.445 62.300 -0.065 0.000 1.024 3170 V CB -0.537 31.248 31.823 -0.063 0.000 0.651 3170 V HN 0.564 nan 8.190 nan 0.000 0.449 3171 V N -0.957 118.892 119.914 -0.109 0.000 2.626 3171 V HA -0.063 4.056 4.120 -0.001 0.000 0.252 3171 V C 2.404 178.396 176.094 -0.170 0.000 1.067 3171 V CA 1.683 63.884 62.300 -0.165 0.000 1.081 3171 V CB -1.229 30.472 31.823 -0.203 0.000 0.686 3171 V HN 0.372 nan 8.190 nan 0.000 0.468 3172 A N 1.574 124.328 122.820 -0.111 0.000 1.873 3172 A HA 0.095 4.415 4.320 -0.001 0.000 0.215 3172 A C 2.396 179.943 177.584 -0.062 0.000 1.186 3172 A CA 1.857 53.849 52.037 -0.076 0.000 0.616 3172 A CB -1.483 17.493 19.000 -0.040 0.000 0.823 3172 A HN 0.670 nan 8.150 nan 0.000 0.442 3173 G N -0.741 108.022 108.800 -0.061 0.000 2.408 3173 G HA2 -0.177 3.782 3.960 -0.001 0.000 0.217 3173 G HA3 -0.177 3.782 3.960 -0.001 0.000 0.217 3173 G C 1.461 176.327 174.900 -0.057 0.000 1.150 3173 G CA 1.290 46.359 45.100 -0.052 0.000 0.776 3173 G HN 0.536 nan 8.290 nan 0.000 0.542 3174 E N 0.336 120.487 120.200 -0.082 0.000 2.072 3174 E HA 0.026 4.376 4.350 -0.001 0.000 0.191 3174 E C 2.528 179.071 176.600 -0.094 0.000 0.985 3174 E CA 0.511 56.857 56.400 -0.091 0.000 0.801 3174 E CB -0.366 29.262 29.700 -0.120 0.000 0.750 3174 E HN 0.418 nan 8.360 nan 0.000 0.452 3175 L N -0.081 121.058 121.223 -0.141 0.000 2.046 3175 L HA -0.183 4.156 4.340 -0.001 0.000 0.208 3175 L C 2.423 179.327 176.870 0.056 0.000 1.077 3175 L CA 0.941 55.686 54.840 -0.158 0.000 0.747 3175 L CB -0.384 41.499 42.059 -0.293 0.000 0.896 3175 L HN 0.220 nan 8.230 nan 0.000 0.432 3176 L N -0.762 120.485 121.223 0.040 0.000 2.046 3176 L HA -0.219 4.120 4.340 -0.001 0.000 0.208 3176 L C 2.825 179.719 176.870 0.041 0.000 1.077 3176 L CA 1.126 56.003 54.840 0.061 0.000 0.747 3176 L CB -0.517 41.550 42.059 0.013 0.000 0.896 3176 L HN 0.256 nan 8.230 nan 0.000 0.432 3177 R N 0.345 120.851 120.500 0.010 0.000 2.083 3177 R HA -0.172 4.168 4.340 -0.001 0.000 0.237 3177 R C 2.286 178.603 176.300 0.029 0.000 1.137 3177 R CA 1.299 57.401 56.100 0.005 0.000 0.951 3177 R CB 0.053 30.345 30.300 -0.015 0.000 0.851 3177 R HN 0.148 nan 8.270 nan 0.000 0.434 3178 K N 0.225 120.655 120.400 0.050 0.000 2.148 3178 K HA -0.050 4.269 4.320 -0.001 0.000 0.204 3178 K C 1.944 178.625 176.600 0.134 0.000 1.050 3178 K CA 1.185 57.525 56.287 0.089 0.000 0.942 3178 K CB -0.328 32.233 32.500 0.102 0.000 0.724 3178 K HN 0.273 nan 8.250 nan 0.000 0.446 3179 A N 1.424 124.344 122.820 0.168 0.000 1.883 3179 A HA -0.225 4.095 4.320 -0.001 0.000 0.217 3179 A C 2.198 179.806 177.584 0.040 0.000 1.186 3179 A CA 1.916 54.029 52.037 0.126 0.000 0.624 3179 A CB -0.465 18.616 19.000 0.135 0.000 0.822 3179 A HN 0.456 nan 8.150 nan 0.000 0.444 3180 E N -0.470 119.748 120.200 0.030 0.000 2.106 3180 E HA -0.225 4.125 4.350 -0.001 0.000 0.192 3180 E C 2.003 178.608 176.600 0.008 0.000 0.984 3180 E CA 1.122 57.526 56.400 0.006 0.000 0.806 3180 E CB -0.149 29.551 29.700 0.001 0.000 0.750 3180 E HN 0.750 nan 8.360 nan 0.000 0.458 3181 E N -0.085 120.128 120.200 0.021 0.000 2.070 3181 E HA -0.235 4.115 4.350 -0.001 0.000 0.197 3181 E C 1.910 178.522 176.600 0.019 0.000 1.004 3181 E CA 1.143 57.555 56.400 0.021 0.000 0.805 3181 E CB 0.050 29.767 29.700 0.030 0.000 0.744 3181 E HN 0.209 nan 8.360 nan 0.000 0.451 3182 L N 0.278 121.517 121.223 0.025 0.000 2.109 3182 L HA -0.123 4.217 4.340 -0.001 0.000 0.207 3182 L C 2.262 179.127 176.870 -0.008 0.000 1.086 3182 L CA 0.962 55.811 54.840 0.015 0.000 0.760 3182 L CB -0.693 41.377 42.059 0.019 0.000 0.910 3182 L HN 0.233 nan 8.230 nan 0.000 0.437 3183 L N -0.652 120.558 121.223 -0.021 0.000 2.083 3183 L HA -0.218 4.122 4.340 -0.001 0.000 0.209 3183 L C 2.121 178.973 176.870 -0.030 0.000 1.083 3183 L CA 1.650 56.464 54.840 -0.043 0.000 0.752 3183 L CB -0.826 41.202 42.059 -0.052 0.000 0.899 3183 L HN 0.280 nan 8.230 nan 0.000 0.433 3184 D N -1.814 118.577 120.400 -0.015 0.000 2.249 3184 D HA -0.110 4.530 4.640 -0.001 0.000 0.205 3184 D C 1.778 178.076 176.300 -0.003 0.000 0.962 3184 D CA 0.469 54.464 54.000 -0.009 0.000 0.860 3184 D CB 0.218 41.016 40.800 -0.004 0.000 0.955 3184 D HN 0.193 nan 8.370 nan 0.000 0.505 3185 Q N 0.141 119.942 119.800 0.001 0.000 2.373 3185 Q HA 0.060 4.399 4.340 -0.001 0.000 0.206 3185 Q C 0.004 176.008 176.000 0.007 0.000 0.942 3185 Q CA 0.133 55.939 55.803 0.006 0.000 0.953 3185 Q CB 0.204 28.949 28.738 0.012 0.000 1.022 3185 Q HN 0.252 nan 8.270 nan 0.000 0.502 3186 N N -0.854 117.848 118.700 0.003 0.000 2.861 3186 N HA -0.138 4.601 4.740 -0.001 0.000 0.247 3186 N C -1.583 173.939 175.510 0.019 0.000 1.117 3186 N CA 0.262 53.318 53.050 0.010 0.000 0.703 3186 N CB -1.071 37.424 38.487 0.013 0.000 1.052 3186 N HN -0.046 nan 8.380 nan 0.000 0.555 3187 V N 1.824 121.744 119.914 0.010 0.000 2.334 3187 V HA 0.231 4.350 4.120 -0.001 0.000 0.281 3187 V C 0.622 176.727 176.094 0.019 0.000 1.016 3187 V CA -0.870 61.442 62.300 0.019 0.000 0.832 3187 V CB 1.246 33.071 31.823 0.004 0.000 0.999 3187 V HN 0.306 nan 8.190 nan 0.000 0.439 3188 H N 7.783 126.833 119.070 -0.033 0.000 2.928 3188 H HA 0.098 4.653 4.556 -0.000 0.000 0.338 3188 H C -1.731 173.565 175.328 -0.053 0.000 1.047 3188 H CA -1.269 54.758 56.048 -0.035 0.000 1.435 3188 H CB 1.946 31.691 29.762 -0.029 0.000 1.428 3188 H HN 0.350 nan 8.280 nan 0.000 0.590 3189 P HA -0.188 nan 4.420 nan 0.000 0.217 3189 P C 1.401 178.728 177.300 0.046 0.000 1.148 3189 P CA 2.459 65.498 63.100 -0.102 0.000 0.834 3189 P CB 0.018 31.610 31.700 -0.182 0.000 0.783 3190 T N -4.103 110.628 114.554 0.295 0.000 2.995 3190 T HA -0.063 4.286 4.350 -0.001 0.000 0.269 3190 T C 1.624 176.347 174.700 0.039 0.000 1.091 3190 T CA 0.806 62.991 62.100 0.141 0.000 1.128 3190 T CB -0.939 67.988 68.868 0.099 0.000 0.891 3190 T HN -0.048 nan 8.240 nan 0.000 0.492 3191 I N 0.878 121.476 120.570 0.046 0.000 2.480 3191 I HA 0.043 4.212 4.170 -0.001 0.000 0.251 3191 I C 2.576 178.640 176.117 -0.088 0.000 1.124 3191 I CA 0.384 61.675 61.300 -0.016 0.000 1.444 3191 I CB -0.283 37.719 38.000 0.004 0.000 1.098 3191 I HN 0.072 nan 8.210 nan 0.000 0.428 3192 V N 0.724 120.552 119.914 -0.144 0.000 2.295 3192 V HA -0.238 3.881 4.120 -0.001 0.000 0.246 3192 V C 2.561 178.323 176.094 -0.553 0.000 1.049 3192 V CA 2.041 64.118 62.300 -0.371 0.000 1.024 3192 V CB -0.768 30.841 31.823 -0.356 0.000 0.648 3192 V HN 0.439 nan 8.190 nan 0.000 0.447 3193 V N -0.706 119.038 119.914 -0.283 0.000 2.667 3193 V HA -0.144 3.976 4.120 -0.001 0.000 0.252 3193 V C 2.361 178.414 176.094 -0.069 0.000 1.065 3193 V CA 2.189 64.397 62.300 -0.153 0.000 1.083 3193 V CB -0.799 30.992 31.823 -0.054 0.000 0.692 3193 V HN 0.514 nan 8.190 nan 0.000 0.468 3194 K N 2.305 122.664 120.400 -0.069 0.000 2.031 3194 K HA 0.106 4.426 4.320 -0.001 0.000 0.205 3194 K C 2.121 178.713 176.600 -0.013 0.000 1.049 3194 K CA 2.009 58.279 56.287 -0.029 0.000 0.939 3194 K CB -1.263 31.221 32.500 -0.026 0.000 0.717 3194 K HN 0.427 nan 8.250 nan 0.000 0.438 3195 G N -0.718 108.066 108.800 -0.027 0.000 2.408 3195 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.217 3195 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.217 3195 G C 1.135 176.109 174.900 0.125 0.000 1.150 3195 G CA 0.715 45.847 45.100 0.054 0.000 0.776 3195 G HN 0.271 nan 8.290 nan 0.000 0.542 3196 Y N 0.342 120.590 120.300 -0.086 0.000 2.263 3196 Y HA -0.021 4.529 4.550 -0.001 0.000 0.292 3196 Y C 2.853 178.537 175.900 -0.359 0.000 1.130 3196 Y CA 0.915 58.889 58.100 -0.210 0.000 1.179 3196 Y CB -0.928 37.603 38.460 0.117 0.000 0.998 3196 Y HN 0.264 nan 8.280 nan 0.000 0.532 3197 Q N 0.422 120.229 119.800 0.012 0.000 2.083 3197 Q HA -0.047 4.292 4.340 -0.001 0.000 0.198 3197 Q C 2.362 178.303 176.000 -0.098 0.000 0.969 3197 Q CA 1.743 57.527 55.803 -0.032 0.000 0.838 3197 Q CB -0.456 28.286 28.738 0.007 0.000 0.900 3197 Q HN 0.319 nan 8.270 nan 0.000 0.436 3198 A N 0.267 123.055 122.820 -0.054 0.000 1.873 3198 A HA -0.010 4.310 4.320 -0.001 0.000 0.215 3198 A C 2.276 179.817 177.584 -0.073 0.000 1.186 3198 A CA 1.853 53.905 52.037 0.024 0.000 0.616 3198 A CB -1.161 17.929 19.000 0.151 0.000 0.823 3198 A HN 0.500 nan 8.150 nan 0.000 0.442 3199 A N -0.300 122.387 122.820 -0.221 0.000 1.930 3199 A HA 0.225 4.544 4.320 -0.001 0.000 0.217 3199 A C 2.452 179.688 177.584 -0.580 0.000 1.175 3199 A CA 1.884 53.654 52.037 -0.445 0.000 0.627 3199 A CB -0.861 17.764 19.000 -0.625 0.000 0.815 3199 A HN 0.996 nan 8.150 nan 0.000 0.443 3200 A N -1.155 121.255 122.820 -0.684 0.000 1.930 3200 A HA -0.132 4.188 4.320 -0.001 0.000 0.217 3200 A C 2.111 179.603 177.584 -0.153 0.000 1.175 3200 A CA 1.491 53.365 52.037 -0.272 0.000 0.627 3200 A CB -0.391 18.525 19.000 -0.140 0.000 0.815 3200 A HN 0.465 nan 8.150 nan 0.000 0.443 3201 Q N -0.308 119.388 119.800 -0.172 0.000 2.119 3201 Q HA -0.167 4.172 4.340 -0.001 0.000 0.201 3201 Q C 2.017 177.910 176.000 -0.178 0.000 0.972 3201 Q CA 1.845 57.572 55.803 -0.127 0.000 0.847 3201 Q CB -0.337 28.348 28.738 -0.087 0.000 0.903 3201 Q HN 0.632 nan 8.270 nan 0.000 0.433 3202 K N 0.911 121.113 120.400 -0.330 0.000 2.148 3202 K HA 0.009 4.329 4.320 -0.001 0.000 0.204 3202 K C 1.821 178.268 176.600 -0.255 0.000 1.050 3202 K CA 1.150 57.173 56.287 -0.441 0.000 0.942 3202 K CB -0.363 31.490 32.500 -1.079 0.000 0.724 3202 K HN 0.125 nan 8.250 nan 0.000 0.446 3203 A N 0.532 123.241 122.820 -0.184 0.000 1.933 3203 A HA -0.196 4.123 4.320 -0.001 0.000 0.218 3203 A C 2.035 179.596 177.584 -0.039 0.000 1.175 3203 A CA 1.579 53.582 52.037 -0.058 0.000 0.628 3203 A CB -0.483 18.546 19.000 0.049 0.000 0.814 3203 A HN 0.496 nan 8.150 nan 0.000 0.444 3204 Q N -0.876 118.894 119.800 -0.051 0.000 2.084 3204 Q HA -0.211 4.128 4.340 -0.001 0.000 0.202 3204 Q C 2.140 178.119 176.000 -0.035 0.000 0.978 3204 Q CA 1.637 57.420 55.803 -0.033 0.000 0.844 3204 Q CB -0.160 28.558 28.738 -0.033 0.000 0.898 3204 Q HN 0.863 nan 8.270 nan 0.000 0.426 3205 E N 0.768 120.934 120.200 -0.057 0.000 2.072 3205 E HA -0.179 4.170 4.350 -0.001 0.000 0.191 3205 E C 1.988 178.567 176.600 -0.035 0.000 0.985 3205 E CA 0.637 57.009 56.400 -0.047 0.000 0.801 3205 E CB 0.000 29.663 29.700 -0.063 0.000 0.750 3205 E HN 0.295 nan 8.360 nan 0.000 0.452 3206 L N 0.600 121.796 121.223 -0.045 0.000 2.042 3206 L HA -0.211 4.128 4.340 -0.001 0.000 0.210 3206 L C 2.565 179.434 176.870 -0.002 0.000 1.076 3206 L CA 0.921 55.748 54.840 -0.021 0.000 0.749 3206 L CB -0.327 41.718 42.059 -0.024 0.000 0.893 3206 L HN 0.265 nan 8.230 nan 0.000 0.432 3207 L N -0.796 120.424 121.223 -0.005 0.000 2.109 3207 L HA -0.135 4.204 4.340 -0.001 0.000 0.207 3207 L C 2.610 179.482 176.870 0.004 0.000 1.086 3207 L CA 0.783 55.626 54.840 0.004 0.000 0.760 3207 L CB -0.429 41.633 42.059 0.004 0.000 0.910 3207 L HN 0.164 nan 8.230 nan 0.000 0.437 3208 K N -0.150 120.249 120.400 -0.003 0.000 2.211 3208 K HA -0.083 4.236 4.320 -0.001 0.000 0.203 3208 K C 2.071 178.672 176.600 0.001 0.000 1.050 3208 K CA 1.769 58.055 56.287 -0.002 0.000 0.945 3208 K CB -0.354 32.142 32.500 -0.006 0.000 0.732 3208 K HN 0.466 nan 8.250 nan 0.000 0.451 3209 T N -1.885 112.670 114.554 0.001 0.000 3.040 3209 T HA 0.062 4.411 4.350 -0.001 0.000 0.252 3209 T C 1.832 176.537 174.700 0.009 0.000 1.064 3209 T CA -0.014 62.088 62.100 0.004 0.000 1.110 3209 T CB -0.007 68.862 68.868 0.002 0.000 0.921 3209 T HN -0.063 nan 8.240 nan 0.000 0.480 3210 I N 2.135 122.714 120.570 0.015 0.000 2.876 3210 I HA 0.442 4.612 4.170 -0.001 0.000 0.264 3210 I C 1.403 177.533 176.117 0.022 0.000 1.204 3210 I CA -0.627 60.688 61.300 0.025 0.000 1.485 3210 I CB -0.618 37.408 38.000 0.043 0.000 1.103 3210 I HN 0.347 nan 8.210 nan 0.000 0.446 3211 A N 0.036 122.865 122.820 0.016 0.000 2.561 3211 A HA 0.097 4.417 4.320 -0.001 0.000 0.234 3211 A C 0.089 177.679 177.584 0.011 0.000 1.055 3211 A CA 0.044 52.089 52.037 0.013 0.000 0.756 3211 A CB -0.468 18.537 19.000 0.009 0.000 0.986 3211 A HN 0.432 nan 8.150 nan 0.000 0.505 3212 C N 3.126 122.433 119.300 0.011 0.000 2.264 3212 C HA 0.434 4.894 4.460 -0.001 0.000 0.324 3212 C C 0.365 175.359 174.990 0.006 0.000 1.267 3212 C CA -0.579 58.444 59.018 0.008 0.000 1.618 3212 C CB -0.509 27.237 27.740 0.010 0.000 2.278 3212 C HN 0.932 nan 8.230 nan 0.000 0.499 3213 E N 1.336 121.539 120.200 0.004 0.000 2.414 3213 E HA 0.358 4.708 4.350 -0.001 0.000 0.263 3213 E C -0.138 176.464 176.600 0.003 0.000 1.000 3213 E CA 0.404 56.806 56.400 0.003 0.000 0.914 3213 E CB 0.521 30.222 29.700 0.002 0.000 0.948 3213 E HN 0.497 nan 8.360 nan 0.000 0.444 3214 V N 2.148 122.064 119.914 0.003 0.000 3.087 3214 V HA 0.627 4.747 4.120 -0.001 0.000 0.306 3214 V C -0.186 175.909 176.094 0.002 0.000 1.187 3214 V CA -0.589 61.713 62.300 0.003 0.000 0.999 3214 V CB 2.255 34.080 31.823 0.003 0.000 1.049 3214 V HN 0.752 nan 8.190 nan 0.000 0.431 3215 G N 3.165 111.966 108.800 0.002 0.000 2.254 3215 G HA2 0.402 4.361 3.960 -0.001 0.000 0.253 3215 G HA3 0.402 4.361 3.960 -0.001 0.000 0.253 3215 G C 1.028 175.929 174.900 0.002 0.000 1.246 3215 G CA 0.383 45.484 45.100 0.002 0.000 0.946 3215 G HN 1.560 nan 8.290 nan 0.000 0.474 3216 A N 2.637 125.459 122.820 0.002 0.000 1.933 3216 A HA -0.070 4.249 4.320 -0.001 0.000 0.218 3216 A C 2.052 179.638 177.584 0.003 0.000 1.175 3216 A CA 1.214 53.253 52.037 0.002 0.000 0.628 3216 A CB -0.023 18.979 19.000 0.002 0.000 0.814 3216 A HN 0.577 nan 8.150 nan 0.000 0.444 3217 Q N -0.208 119.594 119.800 0.003 0.000 2.198 3217 Q HA 0.058 4.398 4.340 -0.001 0.000 0.209 3217 Q C -0.745 175.256 176.000 0.003 0.000 0.848 3217 Q CA -0.124 55.681 55.803 0.003 0.000 0.974 3217 Q CB 0.063 28.803 28.738 0.003 0.000 1.115 3217 Q HN 0.745 nan 8.270 nan 0.000 0.494 3218 D N 1.074 121.475 120.400 0.002 0.000 2.412 3218 D HA -0.048 4.591 4.640 -0.001 0.000 0.257 3218 D C 1.234 177.535 176.300 0.001 0.000 1.217 3218 D CA 0.159 54.160 54.000 0.001 0.000 0.897 3218 D CB 0.916 41.717 40.800 0.001 0.000 1.132 3218 D HN -0.220 nan 8.370 nan 0.000 0.493 3219 K N 2.996 123.397 120.400 0.001 0.000 2.077 3219 K HA -0.257 4.062 4.320 -0.001 0.000 0.213 3219 K C 1.448 178.048 176.600 -0.001 0.000 1.051 3219 K CA 1.687 57.974 56.287 0.000 0.000 0.929 3219 K CB 0.018 32.518 32.500 -0.000 0.000 0.715 3219 K HN 0.492 nan 8.250 nan 0.000 0.451 3220 E N 0.051 120.249 120.200 -0.002 0.000 2.017 3220 E HA -0.185 4.164 4.350 -0.001 0.000 0.193 3220 E C 2.113 178.711 176.600 -0.003 0.000 0.997 3220 E CA 1.400 57.798 56.400 -0.004 0.000 0.804 3220 E CB -0.470 29.228 29.700 -0.004 0.000 0.757 3220 E HN 0.343 nan 8.360 nan 0.000 0.448 3221 I N 1.217 121.786 120.570 -0.001 0.000 2.335 3221 I HA -0.233 3.937 4.170 -0.001 0.000 0.251 3221 I C 2.248 178.365 176.117 0.001 0.000 1.129 3221 I CA 0.941 62.241 61.300 -0.000 0.000 1.402 3221 I CB -0.165 37.836 38.000 0.001 0.000 1.069 3221 I HN 0.036 nan 8.210 nan 0.000 0.424 3222 L N -0.417 120.806 121.223 0.001 0.000 2.056 3222 L HA -0.188 4.151 4.340 -0.001 0.000 0.207 3222 L C 2.496 179.367 176.870 0.001 0.000 1.078 3222 L CA 1.860 56.700 54.840 0.002 0.000 0.749 3222 L CB -1.175 40.885 42.059 0.002 0.000 0.901 3222 L HN 0.406 nan 8.230 nan 0.000 0.433 3223 T N -3.740 110.813 114.554 -0.001 0.000 2.985 3223 T HA -0.093 4.256 4.350 -0.001 0.000 0.266 3223 T C 1.862 176.559 174.700 -0.005 0.000 1.076 3223 T CA 0.576 62.674 62.100 -0.003 0.000 1.135 3223 T CB 0.006 68.871 68.868 -0.005 0.000 0.890 3223 T HN 0.005 nan 8.240 nan 0.000 0.480 3224 K N 0.797 121.194 120.400 -0.005 0.000 2.062 3224 K HA 0.248 4.568 4.320 -0.001 0.000 0.205 3224 K C 2.127 178.727 176.600 -0.001 0.000 1.051 3224 K CA 0.594 56.877 56.287 -0.007 0.000 0.941 3224 K CB -0.430 32.067 32.500 -0.006 0.000 0.719 3224 K HN 0.266 nan 8.250 nan 0.000 0.440 3225 I N 0.742 121.313 120.570 0.002 0.000 2.179 3225 I HA -0.211 3.958 4.170 -0.001 0.000 0.242 3225 I C 2.163 178.284 176.117 0.007 0.000 1.088 3225 I CA 1.439 62.743 61.300 0.006 0.000 1.357 3225 I CB -1.337 36.667 38.000 0.006 0.000 1.051 3225 I HN 0.090 nan 8.210 nan 0.000 0.409 3226 A N 0.815 123.638 122.820 0.005 0.000 1.865 3226 A HA -0.245 4.074 4.320 -0.001 0.000 0.217 3226 A C 2.409 179.998 177.584 0.007 0.000 1.191 3226 A CA 1.999 54.039 52.037 0.006 0.000 0.623 3226 A CB -0.637 18.366 19.000 0.004 0.000 0.826 3226 A HN 0.355 nan 8.150 nan 0.000 0.444 3227 M N -0.309 119.292 119.600 0.003 0.000 2.132 3227 M HA -0.130 4.350 4.480 -0.001 0.000 0.263 3227 M C 2.427 178.734 176.300 0.012 0.000 1.065 3227 M CA 2.019 57.319 55.300 0.000 0.000 1.122 3227 M CB -0.746 31.845 32.600 -0.016 0.000 1.365 3227 M HN 0.725 nan 8.290 nan 0.000 0.411 3228 T N -2.716 111.847 114.554 0.015 0.000 2.867 3228 T HA -0.095 4.255 4.350 -0.001 0.000 0.268 3228 T C 1.888 176.613 174.700 0.042 0.000 1.057 3228 T CA 1.630 63.751 62.100 0.035 0.000 1.136 3228 T CB -0.456 68.430 68.868 0.031 0.000 0.874 3228 T HN 0.298 nan 8.240 nan 0.000 0.466 3229 S N 0.921 116.638 115.700 0.028 0.000 2.368 3229 S HA 0.050 4.520 4.470 -0.001 0.000 0.224 3229 S C 2.001 176.619 174.600 0.029 0.000 1.029 3229 S CA 0.722 58.937 58.200 0.025 0.000 0.988 3229 S CB -0.616 62.594 63.200 0.017 0.000 0.838 3229 S HN 0.589 nan 8.310 nan 0.000 0.462 3230 I N 1.762 122.350 120.570 0.029 0.000 2.361 3230 I HA -0.100 4.069 4.170 -0.001 0.000 0.251 3230 I C 1.275 177.420 176.117 0.047 0.000 1.133 3230 I CA 0.892 62.211 61.300 0.031 0.000 1.413 3230 I CB -0.904 37.110 38.000 0.024 0.000 1.073 3230 I HN 0.428 nan 8.210 nan 0.000 0.424 3231 T N -0.590 114.006 114.554 0.069 0.000 2.932 3231 T HA 0.321 4.671 4.350 -0.001 0.000 0.312 3231 T C 1.161 175.919 174.700 0.097 0.000 1.071 3231 T CA 0.100 62.273 62.100 0.121 0.000 1.128 3231 T CB 1.288 70.282 68.868 0.209 0.000 0.984 3231 T HN 0.603 nan 8.240 nan 0.000 0.549 3232 G N 1.506 110.364 108.800 0.097 0.000 2.176 3232 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.253 3232 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.253 3232 G C -0.068 174.848 174.900 0.028 0.000 0.979 3232 G CA 0.394 45.516 45.100 0.037 0.000 0.641 3232 G HN 0.943 nan 8.290 nan 0.000 0.530 3233 K N -0.940 119.484 120.400 0.040 0.000 2.350 3233 K HA 0.621 4.940 4.320 -0.001 0.000 0.241 3233 K C 1.495 178.116 176.600 0.035 0.000 0.994 3233 K CA -0.521 55.784 56.287 0.030 0.000 0.839 3233 K CB 1.434 33.950 32.500 0.027 0.000 1.244 3233 K HN 0.160 nan 8.250 nan 0.000 0.443 3234 G N 0.376 109.193 108.800 0.028 0.000 2.422 3234 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.218 3234 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.218 3234 G C 1.290 176.208 174.900 0.030 0.000 1.140 3234 G CA 0.985 46.102 45.100 0.029 0.000 0.775 3234 G HN 0.616 nan 8.290 nan 0.000 0.545 3235 A N 1.690 124.527 122.820 0.028 0.000 2.125 3235 A HA -0.029 4.291 4.320 -0.001 0.000 0.219 3235 A C 2.131 179.730 177.584 0.025 0.000 1.156 3235 A CA 1.763 53.815 52.037 0.025 0.000 0.671 3235 A CB -0.438 18.576 19.000 0.023 0.000 0.794 3235 A HN 0.662 nan 8.150 nan 0.000 0.459 3236 E N 1.234 121.454 120.200 0.033 0.000 2.331 3236 E HA -0.294 4.056 4.350 -0.001 0.000 0.199 3236 E C 1.614 178.227 176.600 0.022 0.000 1.008 3236 E CA 1.368 57.788 56.400 0.033 0.000 0.843 3236 E CB -0.547 29.189 29.700 0.060 0.000 0.761 3236 E HN 0.820 nan 8.360 nan 0.000 0.507 3237 K N 0.858 121.273 120.400 0.024 0.000 2.211 3237 K HA -0.073 4.247 4.320 -0.001 0.000 0.204 3237 K C 1.502 178.107 176.600 0.008 0.000 1.047 3237 K CA 1.491 57.787 56.287 0.016 0.000 0.935 3237 K CB -0.006 32.506 32.500 0.019 0.000 0.728 3237 K HN 0.160 nan 8.250 nan 0.000 0.452 3238 A N 1.769 124.595 122.820 0.009 0.000 2.616 3238 A HA 0.144 4.464 4.320 -0.001 0.000 0.294 3238 A C 1.305 178.891 177.584 0.003 0.000 1.091 3238 A CA -0.562 51.478 52.037 0.005 0.000 0.971 3238 A CB -0.055 18.950 19.000 0.008 0.000 1.222 3238 A HN 0.415 nan 8.150 nan 0.000 0.521 3239 K N 0.165 120.566 120.400 0.002 0.000 2.286 3239 K HA -0.211 4.108 4.320 -0.001 0.000 0.203 3239 K C 0.863 177.460 176.600 -0.005 0.000 1.045 3239 K CA 1.929 58.216 56.287 -0.000 0.000 0.935 3239 K CB -0.102 32.395 32.500 -0.004 0.000 0.737 3239 K HN 0.333 nan 8.250 nan 0.000 0.460 3240 E N 1.486 121.680 120.200 -0.009 0.000 2.046 3240 E HA -0.140 4.210 4.350 -0.001 0.000 0.190 3240 E C 1.913 178.510 176.600 -0.004 0.000 0.982 3240 E CA 1.297 57.691 56.400 -0.010 0.000 0.800 3240 E CB -0.072 29.620 29.700 -0.013 0.000 0.756 3240 E HN 0.257 nan 8.360 nan 0.000 0.449 3241 K N 0.335 120.734 120.400 -0.001 0.000 2.097 3241 K HA -0.080 4.240 4.320 -0.001 0.000 0.205 3241 K C 1.636 178.239 176.600 0.005 0.000 1.050 3241 K CA 0.808 57.097 56.287 0.002 0.000 0.938 3241 K CB -0.252 32.251 32.500 0.004 0.000 0.718 3241 K HN 0.005 nan 8.250 nan 0.000 0.442 3242 L N 0.412 121.638 121.223 0.005 0.000 2.093 3242 L HA 0.035 4.375 4.340 -0.001 0.000 0.208 3242 L C 2.277 179.150 176.870 0.006 0.000 1.085 3242 L CA 1.896 56.740 54.840 0.007 0.000 0.755 3242 L CB -1.151 40.913 42.059 0.009 0.000 0.904 3242 L HN 0.269 nan 8.230 nan 0.000 0.435 3243 A N -0.801 122.021 122.820 0.003 0.000 1.898 3243 A HA -0.225 4.094 4.320 -0.001 0.000 0.216 3243 A C 2.314 179.900 177.584 0.002 0.000 1.181 3243 A CA 1.630 53.668 52.037 0.002 0.000 0.620 3243 A CB -0.496 18.502 19.000 -0.002 0.000 0.819 3243 A HN 0.380 nan 8.150 nan 0.000 0.442 3244 E N 0.331 120.532 120.200 0.002 0.000 2.058 3244 E HA -0.158 4.191 4.350 -0.001 0.000 0.194 3244 E C 1.696 178.300 176.600 0.006 0.000 0.997 3244 E CA 1.594 57.996 56.400 0.003 0.000 0.801 3244 E CB -0.388 29.313 29.700 0.002 0.000 0.746 3244 E HN 0.639 nan 8.360 nan 0.000 0.450 3245 I N -0.329 120.245 120.570 0.007 0.000 2.179 3245 I HA -0.234 3.935 4.170 -0.001 0.000 0.242 3245 I C 1.931 178.053 176.117 0.009 0.000 1.088 3245 I CA 0.759 62.065 61.300 0.010 0.000 1.357 3245 I CB -0.153 37.855 38.000 0.012 0.000 1.051 3245 I HN 0.161 nan 8.210 nan 0.000 0.409 3246 I N -0.363 120.212 120.570 0.008 0.000 2.406 3246 I HA -0.163 4.007 4.170 -0.001 0.000 0.249 3246 I C 2.295 178.416 176.117 0.006 0.000 1.122 3246 I CA 1.067 62.371 61.300 0.007 0.000 1.431 3246 I CB -0.286 37.717 38.000 0.006 0.000 1.087 3246 I HN -0.063 nan 8.210 nan 0.000 0.424 3247 V N 0.229 120.146 119.914 0.006 0.000 2.358 3247 V HA -0.258 3.861 4.120 -0.001 0.000 0.246 3247 V C 2.511 178.609 176.094 0.006 0.000 1.047 3247 V CA 1.916 64.219 62.300 0.005 0.000 1.035 3247 V CB -0.546 31.279 31.823 0.004 0.000 0.658 3247 V HN 0.402 nan 8.190 nan 0.000 0.452 3248 E N 0.848 121.053 120.200 0.007 0.000 2.077 3248 E HA -0.163 4.187 4.350 -0.001 0.000 0.193 3248 E C 2.133 178.739 176.600 0.010 0.000 0.989 3248 E CA 1.682 58.088 56.400 0.009 0.000 0.800 3248 E CB -0.493 29.213 29.700 0.010 0.000 0.746 3248 E HN 0.492 nan 8.360 nan 0.000 0.452 3249 A N 0.029 122.855 122.820 0.010 0.000 1.902 3249 A HA -0.137 4.183 4.320 -0.001 0.000 0.217 3249 A C 2.505 180.094 177.584 0.008 0.000 1.181 3249 A CA 1.730 53.772 52.037 0.009 0.000 0.623 3249 A CB -0.784 18.221 19.000 0.008 0.000 0.818 3249 A HN 0.205 nan 8.150 nan 0.000 0.443 3250 V N -0.330 119.588 119.914 0.007 0.000 2.307 3250 V HA -0.194 3.926 4.120 -0.001 0.000 0.245 3250 V C 2.763 178.861 176.094 0.007 0.000 1.045 3250 V CA 2.241 64.544 62.300 0.006 0.000 1.024 3250 V CB -0.852 30.974 31.823 0.005 0.000 0.651 3250 V HN 0.546 nan 8.190 nan 0.000 0.449 3251 S N 0.193 115.898 115.700 0.008 0.000 2.387 3251 S HA -0.220 4.250 4.470 -0.001 0.000 0.230 3251 S C 2.169 176.776 174.600 0.011 0.000 1.035 3251 S CA 1.512 59.717 58.200 0.009 0.000 1.014 3251 S CB -0.473 62.732 63.200 0.009 0.000 0.836 3251 S HN 0.659 nan 8.310 nan 0.000 0.466 3252 A N 1.110 123.938 122.820 0.013 0.000 1.855 3252 A HA -0.043 4.277 4.320 -0.001 0.000 0.215 3252 A C 2.401 179.995 177.584 0.016 0.000 1.191 3252 A CA 1.759 53.806 52.037 0.018 0.000 0.613 3252 A CB -0.819 18.192 19.000 0.019 0.000 0.829 3252 A HN 0.580 nan 8.150 nan 0.000 0.442 3253 V N -3.216 116.705 119.914 0.011 0.000 3.052 3253 V HA 0.041 4.160 4.120 -0.001 0.000 0.254 3253 V C 2.033 178.130 176.094 0.006 0.000 1.100 3253 V CA 1.362 63.667 62.300 0.009 0.000 1.112 3253 V CB -0.363 31.463 31.823 0.005 0.000 0.738 3253 V HN 0.194 nan 8.190 nan 0.000 0.469 3254 V N 0.554 120.472 119.914 0.006 0.000 2.809 3254 V HA -0.059 4.061 4.120 -0.001 0.000 0.256 3254 V C 1.571 177.667 176.094 0.003 0.000 1.080 3254 V CA 2.290 64.592 62.300 0.004 0.000 1.102 3254 V CB -0.538 31.287 31.823 0.004 0.000 0.705 3254 V HN 0.842 nan 8.190 nan 0.000 0.475 3255 D N -0.651 119.751 120.400 0.004 0.000 4.438 3255 D HA -0.218 4.421 4.640 -0.001 0.000 0.158 3255 D C 0.632 176.933 176.300 0.001 0.000 0.686 3255 D CA 1.927 55.928 54.000 0.002 0.000 1.183 3255 D CB -1.243 39.556 40.800 -0.002 0.000 0.623 3255 D HN 0.556 nan 8.370 nan 0.000 0.521 3256 D N 1.021 121.420 120.400 -0.001 0.000 2.393 3256 D HA 0.289 4.929 4.640 -0.001 0.000 0.246 3256 D C -0.157 176.143 176.300 0.000 0.000 1.275 3256 D CA 0.228 54.227 54.000 -0.001 0.000 0.979 3256 D CB 0.402 41.200 40.800 -0.003 0.000 1.101 3256 D HN 0.154 nan 8.370 nan 0.000 0.505 3257 E N -0.605 119.595 120.200 0.000 0.000 2.731 3257 E HA 0.596 4.946 4.350 -0.001 0.000 0.220 3257 E C -0.182 176.418 176.600 0.000 0.000 1.087 3257 E CA -0.503 55.897 56.400 0.001 0.000 1.020 3257 E CB 0.857 30.558 29.700 0.001 0.000 1.339 3257 E HN 0.502 nan 8.360 nan 0.000 0.444 3258 G N 0.589 109.389 108.800 0.000 0.000 2.328 3258 G HA2 0.354 4.313 3.960 -0.001 0.000 0.299 3258 G HA3 0.354 4.313 3.960 -0.001 0.000 0.299 3258 G C -1.738 173.162 174.900 0.000 0.000 1.435 3258 G CA -0.925 44.175 45.100 0.000 0.000 0.865 3258 G HN 0.025 nan 8.290 nan 0.000 0.601 3259 K N 0.300 120.700 120.400 0.000 0.000 2.581 3259 K HA 0.587 4.906 4.320 -0.001 0.000 0.249 3259 K C -1.664 174.936 176.600 0.000 0.000 0.966 3259 K CA -0.581 55.706 56.287 0.000 0.000 0.811 3259 K CB 2.060 34.560 32.500 -0.001 0.000 1.223 3259 K HN 0.880 nan 8.250 nan 0.000 0.438 3260 V N 3.032 122.946 119.914 0.001 0.000 2.547 3260 V HA 0.429 4.548 4.120 -0.001 0.000 0.299 3260 V C -1.123 174.971 176.094 -0.000 0.000 1.040 3260 V CA -0.516 61.784 62.300 0.001 0.000 0.913 3260 V CB 1.694 33.518 31.823 0.001 0.000 0.992 3260 V HN 0.779 nan 8.190 nan 0.000 0.449 3261 D N 4.540 124.940 120.400 -0.001 0.000 2.441 3261 D HA 0.332 4.972 4.640 -0.001 0.000 0.231 3261 D C 0.788 177.086 176.300 -0.003 0.000 1.073 3261 D CA -0.306 53.693 54.000 -0.002 0.000 0.850 3261 D CB 1.678 42.476 40.800 -0.003 0.000 1.062 3261 D HN 0.553 nan 8.370 nan 0.000 0.524 3262 K N 2.043 122.441 120.400 -0.003 0.000 2.280 3262 K HA -0.152 4.168 4.320 -0.001 0.000 0.202 3262 K C 0.883 177.478 176.600 -0.007 0.000 1.047 3262 K CA 0.824 57.109 56.287 -0.004 0.000 0.942 3262 K CB 0.248 32.747 32.500 -0.003 0.000 0.739 3262 K HN 0.355 nan 8.250 nan 0.000 0.457 3263 D N 0.765 121.160 120.400 -0.008 0.000 2.310 3263 D HA -0.072 4.568 4.640 -0.001 0.000 0.212 3263 D C 1.343 177.635 176.300 -0.015 0.000 0.965 3263 D CA 0.628 54.620 54.000 -0.012 0.000 0.879 3263 D CB 0.157 40.950 40.800 -0.012 0.000 0.921 3263 D HN 0.104 nan 8.370 nan 0.000 0.510 3264 L N -0.185 121.031 121.223 -0.011 0.000 2.492 3264 L HA 0.156 4.496 4.340 -0.001 0.000 0.223 3264 L C 0.355 177.218 176.870 -0.011 0.000 1.132 3264 L CA 0.249 55.082 54.840 -0.011 0.000 0.850 3264 L CB 0.131 42.187 42.059 -0.005 0.000 0.966 3264 L HN 0.019 nan 8.230 nan 0.000 0.454 3265 I N 0.566 121.129 120.570 -0.010 0.000 2.390 3265 I HA 0.181 4.350 4.170 -0.001 0.000 0.283 3265 I C -0.088 176.020 176.117 -0.015 0.000 1.016 3265 I CA -0.641 60.653 61.300 -0.009 0.000 1.151 3265 I CB 1.406 39.404 38.000 -0.004 0.000 1.293 3265 I HN -0.148 nan 8.210 nan 0.000 0.458 3266 K N 7.266 127.654 120.400 -0.021 0.000 2.172 3266 K HA 0.452 4.771 4.320 -0.001 0.000 0.276 3266 K C -0.785 175.801 176.600 -0.023 0.000 1.013 3266 K CA -0.239 56.031 56.287 -0.028 0.000 0.913 3266 K CB 0.775 33.248 32.500 -0.045 0.000 1.055 3266 K HN 0.396 nan 8.250 nan 0.000 0.461 3267 I N 3.932 124.489 120.570 -0.021 0.000 2.347 3267 I HA 0.239 4.409 4.170 -0.001 0.000 0.283 3267 I C -0.159 175.944 176.117 -0.022 0.000 1.058 3267 I CA -0.679 60.612 61.300 -0.015 0.000 1.202 3267 I CB 0.344 38.339 38.000 -0.009 0.000 1.386 3267 I HN 0.684 nan 8.210 nan 0.000 0.475 3268 E N 6.971 127.156 120.200 -0.026 0.000 2.214 3268 E HA 0.613 4.962 4.350 -0.001 0.000 0.274 3268 E C -0.784 175.805 176.600 -0.018 0.000 0.977 3268 E CA -0.595 55.785 56.400 -0.034 0.000 0.827 3268 E CB 1.407 31.071 29.700 -0.059 0.000 1.130 3268 E HN 0.563 nan 8.360 nan 0.000 0.394 3269 K N 1.621 122.009 120.400 -0.019 0.000 2.498 3269 K HA 0.688 5.007 4.320 -0.001 0.000 0.254 3269 K C -1.334 175.259 176.600 -0.012 0.000 0.933 3269 K CA -1.213 55.068 56.287 -0.010 0.000 0.806 3269 K CB 1.817 34.310 32.500 -0.011 0.000 1.301 3269 K HN 0.197 nan 8.250 nan 0.000 0.432 3270 K N 1.350 121.749 120.400 -0.001 0.000 2.581 3270 K HA 0.216 4.536 4.320 -0.001 0.000 0.249 3270 K C -1.282 175.320 176.600 0.003 0.000 0.966 3270 K CA -0.339 55.949 56.287 0.001 0.000 0.811 3270 K CB 2.180 34.689 32.500 0.015 0.000 1.223 3270 K HN 0.711 nan 8.250 nan 0.000 0.438 3271 S N 2.580 118.276 115.700 -0.007 0.000 2.568 3271 S HA 0.601 5.070 4.470 -0.001 0.000 0.282 3271 S C 0.136 174.739 174.600 0.004 0.000 1.338 3271 S CA 1.339 59.535 58.200 -0.006 0.000 1.045 3271 S CB -0.223 62.966 63.200 -0.018 0.000 0.873 3271 S HN 1.207 nan 8.310 nan 0.000 0.516 3272 G N 1.788 110.592 108.800 0.007 0.000 2.428 3272 G HA2 0.509 4.469 3.960 -0.001 0.000 0.681 3272 G HA3 0.509 4.469 3.960 -0.001 0.000 0.681 3272 G C -0.098 174.810 174.900 0.014 0.000 1.340 3272 G CA -0.039 45.068 45.100 0.011 0.000 0.915 3272 G HN 2.158 nan 8.290 nan 0.000 0.645 3273 A N -0.815 122.013 122.820 0.013 0.000 6.088 3273 A HA 0.395 4.715 4.320 -0.001 0.000 0.261 3273 A C 1.091 178.682 177.584 0.012 0.000 2.138 3273 A CA 1.913 53.957 52.037 0.012 0.000 0.708 3273 A CB -1.632 17.377 19.000 0.015 0.000 1.068 3273 A HN 2.716 nan 8.150 nan 0.000 0.364 3274 S N -2.555 113.152 115.700 0.012 0.000 2.745 3274 S HA 0.692 5.161 4.470 -0.001 0.000 0.306 3274 S C 1.124 175.733 174.600 0.014 0.000 1.137 3274 S CA 0.144 58.351 58.200 0.012 0.000 0.900 3274 S CB 1.369 64.575 63.200 0.010 0.000 1.176 3274 S HN 1.652 nan 8.310 nan 0.000 0.520 3275 I N 1.117 121.695 120.570 0.014 0.000 2.493 3275 I HA -0.087 4.083 4.170 -0.001 0.000 0.254 3275 I C 1.576 177.701 176.117 0.013 0.000 1.160 3275 I CA 1.602 62.910 61.300 0.014 0.000 1.445 3275 I CB -0.101 37.908 38.000 0.015 0.000 1.086 3275 I HN 0.795 nan 8.210 nan 0.000 0.433 3276 D N 0.754 121.161 120.400 0.011 0.000 2.264 3276 D HA -0.203 4.437 4.640 -0.001 0.000 0.208 3276 D C 1.594 177.900 176.300 0.009 0.000 0.966 3276 D CA 1.117 55.122 54.000 0.008 0.000 0.864 3276 D CB 0.022 40.826 40.800 0.006 0.000 0.933 3276 D HN 0.359 nan 8.370 nan 0.000 0.499 3277 D N -0.462 119.945 120.400 0.011 0.000 2.347 3277 D HA -0.032 4.608 4.640 -0.001 0.000 0.213 3277 D C 0.235 176.547 176.300 0.020 0.000 0.985 3277 D CA 0.385 54.393 54.000 0.013 0.000 0.879 3277 D CB -0.127 40.681 40.800 0.014 0.000 0.919 3277 D HN 0.148 nan 8.370 nan 0.000 0.526 3278 T N 1.564 116.131 114.554 0.021 0.000 2.933 3278 T HA 0.106 4.456 4.350 -0.001 0.000 0.306 3278 T C 0.291 175.007 174.700 0.027 0.000 1.045 3278 T CA 0.675 62.791 62.100 0.026 0.000 1.143 3278 T CB 1.038 69.919 68.868 0.021 0.000 1.003 3278 T HN 0.013 nan 8.240 nan 0.000 0.540 3279 E N 1.483 121.706 120.200 0.038 0.000 2.390 3279 E HA 0.530 4.880 4.350 -0.001 0.000 0.280 3279 E C -1.883 174.748 176.600 0.051 0.000 0.992 3279 E CA -0.813 55.610 56.400 0.038 0.000 0.790 3279 E CB 1.075 30.796 29.700 0.035 0.000 1.248 3279 E HN 0.356 nan 8.360 nan 0.000 0.447 3280 L N 3.340 124.588 121.223 0.042 0.000 2.312 3280 L HA 0.596 4.936 4.340 -0.001 0.000 0.281 3280 L C -1.079 175.827 176.870 0.061 0.000 1.070 3280 L CA -0.182 54.684 54.840 0.043 0.000 0.805 3280 L CB 0.791 42.867 42.059 0.028 0.000 1.174 3280 L HN 0.570 nan 8.230 nan 0.000 0.434 3281 I N 5.455 126.071 120.570 0.076 0.000 2.382 3281 I HA 0.301 4.471 4.170 -0.001 0.000 0.285 3281 I C -0.056 176.099 176.117 0.064 0.000 1.007 3281 I CA -0.461 60.900 61.300 0.102 0.000 1.142 3281 I CB 1.153 39.269 38.000 0.192 0.000 1.289 3281 I HN 0.326 nan 8.210 nan 0.000 0.453 3282 K N 5.780 126.211 120.400 0.051 0.000 2.081 3282 K HA 0.484 4.804 4.320 -0.001 0.000 0.230 3282 K C 0.456 177.077 176.600 0.035 0.000 1.199 3282 K CA -0.004 56.303 56.287 0.034 0.000 1.130 3282 K CB -0.286 32.228 32.500 0.024 0.000 1.386 3282 K HN 0.979 nan 8.250 nan 0.000 0.280 3283 G N -0.661 108.157 108.800 0.029 0.000 2.398 3283 G HA2 0.023 3.982 3.960 -0.001 0.000 0.251 3283 G HA3 0.023 3.982 3.960 -0.001 0.000 0.251 3283 G C -1.606 173.289 174.900 -0.008 0.000 1.277 3283 G CA -0.805 44.305 45.100 0.016 0.000 0.927 3283 G HN 0.085 nan 8.290 nan 0.000 0.477 3284 V N 0.755 120.648 119.914 -0.034 0.000 2.495 3284 V HA 0.705 4.825 4.120 -0.001 0.000 0.298 3284 V C -0.648 175.360 176.094 -0.142 0.000 1.031 3284 V CA -0.623 61.621 62.300 -0.094 0.000 0.871 3284 V CB 1.408 33.150 31.823 -0.136 0.000 0.988 3284 V HN 0.911 nan 8.190 nan 0.000 0.432 3285 L N 7.467 128.567 121.223 -0.204 0.000 2.305 3285 L HA 0.836 5.176 4.340 -0.001 0.000 0.284 3285 L C -0.383 176.316 176.870 -0.286 0.000 1.013 3285 L CA -0.152 54.464 54.840 -0.373 0.000 0.819 3285 L CB 1.692 43.434 42.059 -0.527 0.000 1.227 3285 L HN 0.576 nan 8.230 nan 0.000 0.417 3286 V N 1.573 121.325 119.914 -0.270 0.000 2.769 3286 V HA 0.636 4.755 4.120 -0.001 0.000 0.312 3286 V C -0.493 175.520 176.094 -0.136 0.000 1.061 3286 V CA -0.522 61.673 62.300 -0.174 0.000 0.931 3286 V CB 1.835 33.572 31.823 -0.143 0.000 1.010 3286 V HN 0.822 nan 8.190 nan 0.000 0.433 3287 D N 1.125 121.472 120.400 -0.088 0.000 3.134 3287 D HA 0.340 4.980 4.640 -0.001 0.000 0.248 3287 D C -0.104 176.191 176.300 -0.009 0.000 1.273 3287 D CA -0.264 53.703 54.000 -0.054 0.000 0.904 3287 D CB 0.342 41.114 40.800 -0.047 0.000 1.089 3287 D HN 0.521 nan 8.370 nan 0.000 0.478 3288 K N 0.278 120.688 120.400 0.016 0.000 2.313 3288 K HA 0.534 4.853 4.320 -0.001 0.000 0.235 3288 K C 0.186 176.820 176.600 0.057 0.000 1.035 3288 K CA -0.854 55.465 56.287 0.052 0.000 0.868 3288 K CB 1.729 34.292 32.500 0.106 0.000 1.232 3288 K HN 0.311 nan 8.250 nan 0.000 0.459 3289 E N -0.101 120.129 120.200 0.050 0.000 2.378 3289 E HA 0.481 4.830 4.350 -0.001 0.000 0.265 3289 E C -0.747 175.866 176.600 0.023 0.000 0.932 3289 E CA -1.141 55.282 56.400 0.039 0.000 0.795 3289 E CB 1.118 30.835 29.700 0.028 0.000 1.296 3289 E HN 0.100 nan 8.360 nan 0.000 0.438 3290 R N 1.405 121.911 120.500 0.011 0.000 2.296 3290 R HA 0.074 4.414 4.340 -0.001 0.000 0.323 3290 R C 1.247 177.541 176.300 -0.011 0.000 1.067 3290 R CA 0.159 56.251 56.100 -0.014 0.000 0.946 3290 R CB 0.961 31.251 30.300 -0.016 0.000 0.991 3290 R HN 0.650 nan 8.270 nan 0.000 0.448 3291 V N 0.012 119.914 119.914 -0.020 0.000 2.688 3291 V HA -0.101 4.019 4.120 -0.001 0.000 0.256 3291 V C 0.905 176.996 176.094 -0.006 0.000 1.084 3291 V CA 1.210 63.504 62.300 -0.010 0.000 1.103 3291 V CB -0.251 31.564 31.823 -0.013 0.000 0.688 3291 V HN 0.526 nan 8.190 nan 0.000 0.480 3292 S N -0.903 114.791 115.700 -0.009 0.000 2.521 3292 S HA 0.774 5.244 4.470 -0.001 0.000 0.295 3292 S C 0.828 175.428 174.600 -0.001 0.000 1.098 3292 S CA -0.139 58.061 58.200 -0.000 0.000 0.999 3292 S CB 1.821 65.023 63.200 0.004 0.000 1.034 3292 S HN 0.735 nan 8.310 nan 0.000 0.483 3293 A N 3.476 126.299 122.820 0.005 0.000 2.121 3293 A HA -0.027 4.293 4.320 -0.001 0.000 0.218 3293 A C 1.782 179.369 177.584 0.006 0.000 1.154 3293 A CA 1.114 53.154 52.037 0.006 0.000 0.679 3293 A CB -0.438 18.567 19.000 0.007 0.000 0.795 3293 A HN 0.904 nan 8.150 nan 0.000 0.458 3294 Q N -0.905 118.900 119.800 0.008 0.000 2.389 3294 Q HA 0.144 4.483 4.340 -0.001 0.000 0.204 3294 Q C 0.296 176.288 176.000 -0.013 0.000 0.944 3294 Q CA 0.073 55.878 55.803 0.003 0.000 0.908 3294 Q CB -0.060 28.687 28.738 0.014 0.000 1.002 3294 Q HN 0.665 nan 8.270 nan 0.000 0.493 3295 M N 1.679 121.269 119.600 -0.017 0.000 2.242 3295 M HA 0.178 4.658 4.480 -0.001 0.000 0.344 3295 M C -2.111 174.178 176.300 -0.018 0.000 1.140 3295 M CA -1.921 53.364 55.300 -0.026 0.000 1.160 3295 M CB 0.172 32.752 32.600 -0.034 0.000 1.491 3295 M HN -0.179 nan 8.290 nan 0.000 0.459 3296 P HA 0.006 nan 4.420 nan 0.000 0.266 3296 P C -0.455 176.840 177.300 -0.007 0.000 1.193 3296 P CA 0.277 63.370 63.100 -0.012 0.000 0.770 3296 P CB 0.459 32.151 31.700 -0.014 0.000 0.836 3297 K N 1.270 121.671 120.400 0.001 0.000 2.393 3297 K HA 0.053 4.372 4.320 -0.001 0.000 0.193 3297 K C 0.384 176.996 176.600 0.019 0.000 1.026 3297 K CA 0.474 56.768 56.287 0.011 0.000 1.064 3297 K CB 0.124 32.631 32.500 0.012 0.000 0.833 3297 K HN 0.496 nan 8.250 nan 0.000 0.521 3298 K N -0.383 120.024 120.400 0.012 0.000 2.571 3298 K HA 0.337 4.656 4.320 -0.001 0.000 0.252 3298 K C -1.329 175.278 176.600 0.011 0.000 0.956 3298 K CA -0.788 55.510 56.287 0.018 0.000 0.822 3298 K CB 2.024 34.531 32.500 0.012 0.000 1.286 3298 K HN -0.275 nan 8.250 nan 0.000 0.439 3299 V N 2.096 122.020 119.914 0.017 0.000 2.577 3299 V HA 0.462 4.582 4.120 -0.001 0.000 0.303 3299 V C -0.208 175.898 176.094 0.020 0.000 1.042 3299 V CA -0.539 61.769 62.300 0.012 0.000 0.872 3299 V CB 1.848 33.675 31.823 0.006 0.000 0.998 3299 V HN 1.006 nan 8.190 nan 0.000 0.423 3300 T N -0.166 114.396 114.554 0.013 0.000 2.945 3300 T HA 0.566 4.916 4.350 -0.001 0.000 0.286 3300 T C 0.104 174.811 174.700 0.011 0.000 1.025 3300 T CA -0.256 61.852 62.100 0.013 0.000 1.039 3300 T CB 1.370 70.242 68.868 0.006 0.000 1.068 3300 T HN 0.774 nan 8.240 nan 0.000 0.497 3301 D N 0.060 120.467 120.400 0.011 0.000 2.689 3301 D HA -0.149 4.491 4.640 -0.001 0.000 0.237 3301 D C 0.270 176.579 176.300 0.016 0.000 1.148 3301 D CA 0.846 54.852 54.000 0.010 0.000 0.656 3301 D CB -1.257 39.546 40.800 0.006 0.000 1.050 3301 D HN 1.086 nan 8.370 nan 0.000 0.426 3302 A N 1.308 124.143 122.820 0.024 0.000 2.425 3302 A HA 0.409 4.729 4.320 -0.001 0.000 0.249 3302 A C 0.533 178.137 177.584 0.035 0.000 1.084 3302 A CA 0.060 52.116 52.037 0.031 0.000 0.781 3302 A CB 0.634 19.664 19.000 0.050 0.000 1.019 3302 A HN 0.150 nan 8.150 nan 0.000 0.490 3303 K N 2.722 123.139 120.400 0.030 0.000 2.354 3303 K HA 0.360 4.680 4.320 -0.001 0.000 0.257 3303 K C -1.223 175.403 176.600 0.043 0.000 1.062 3303 K CA -0.194 56.112 56.287 0.032 0.000 0.971 3303 K CB 0.831 33.342 32.500 0.020 0.000 1.305 3303 K HN 0.541 nan 8.250 nan 0.000 0.449 3304 I N 2.197 122.809 120.570 0.070 0.000 2.352 3304 I HA 0.183 4.353 4.170 -0.001 0.000 0.290 3304 I C 0.406 176.582 176.117 0.099 0.000 1.036 3304 I CA -0.130 61.239 61.300 0.115 0.000 1.336 3304 I CB 1.316 39.421 38.000 0.175 0.000 1.407 3304 I HN 0.454 nan 8.210 nan 0.000 0.497 3305 A N 7.635 130.512 122.820 0.095 0.000 2.330 3305 A HA 0.856 5.176 4.320 -0.001 0.000 0.327 3305 A C -0.765 176.894 177.584 0.124 0.000 1.155 3305 A CA -0.583 51.502 52.037 0.080 0.000 0.803 3305 A CB 0.695 19.720 19.000 0.042 0.000 1.208 3305 A HN 0.651 nan 8.150 nan 0.000 0.477 3306 L N 3.336 124.622 121.223 0.106 0.000 2.298 3306 L HA 0.488 4.827 4.340 -0.001 0.000 0.284 3306 L C -0.823 176.091 176.870 0.074 0.000 1.013 3306 L CA -0.189 54.720 54.840 0.114 0.000 0.824 3306 L CB 1.169 43.280 42.059 0.085 0.000 1.221 3306 L HN 0.576 nan 8.230 nan 0.000 0.418 3307 L N 3.098 124.368 121.223 0.078 0.000 2.334 3307 L HA 0.451 4.790 4.340 -0.001 0.000 0.276 3307 L C 0.733 177.635 176.870 0.052 0.000 1.014 3307 L CA -0.379 54.493 54.840 0.053 0.000 0.815 3307 L CB 2.117 44.203 42.059 0.045 0.000 1.268 3307 L HN 0.587 nan 8.230 nan 0.000 0.428 3308 N N 0.482 119.205 118.700 0.037 0.000 2.348 3308 N HA 0.017 4.757 4.740 -0.001 0.000 0.183 3308 N C 0.352 175.878 175.510 0.028 0.000 1.094 3308 N CA -0.049 53.020 53.050 0.032 0.000 0.885 3308 N CB 0.570 39.071 38.487 0.023 0.000 1.065 3308 N HN 0.753 nan 8.380 nan 0.000 0.472 3309 C N 0.802 120.118 119.300 0.026 0.000 2.470 3309 C HA 0.854 5.314 4.460 -0.001 0.000 0.350 3309 C C 1.038 176.044 174.990 0.026 0.000 1.341 3309 C CA -1.259 57.773 59.018 0.023 0.000 2.440 3309 C CB -0.006 27.747 27.740 0.021 0.000 2.295 3309 C HN 0.324 nan 8.230 nan 0.000 0.645 3310 A N 0.764 123.599 122.820 0.024 0.000 2.340 3310 A HA 0.630 4.950 4.320 -0.001 0.000 0.268 3310 A C -0.008 177.593 177.584 0.028 0.000 1.100 3310 A CA -0.640 51.412 52.037 0.026 0.000 0.803 3310 A CB -0.084 18.930 19.000 0.023 0.000 1.043 3310 A HN 0.859 nan 8.150 nan 0.000 0.488 3311 I N 2.245 122.833 120.570 0.030 0.000 2.243 3311 I HA 0.204 4.374 4.170 -0.001 0.000 0.289 3311 I C 0.115 176.258 176.117 0.043 0.000 1.140 3311 I CA 0.471 61.792 61.300 0.036 0.000 1.289 3311 I CB -0.554 37.468 38.000 0.038 0.000 1.498 3311 I HN 0.716 nan 8.210 nan 0.000 0.561 3312 E N 3.529 123.753 120.200 0.039 0.000 2.450 3312 E HA 0.493 4.842 4.350 -0.001 0.000 0.272 3312 E C -0.792 175.832 176.600 0.040 0.000 0.967 3312 E CA -1.120 55.304 56.400 0.040 0.000 0.818 3312 E CB 2.333 32.052 29.700 0.031 0.000 1.401 3312 E HN 0.123 nan 8.360 nan 0.000 0.450 3313 I N 2.309 122.904 120.570 0.041 0.000 2.406 3313 I HA 0.079 4.249 4.170 -0.001 0.000 0.293 3313 I C 0.506 176.642 176.117 0.031 0.000 1.101 3313 I CA 0.174 61.498 61.300 0.041 0.000 1.334 3313 I CB -0.519 37.509 38.000 0.046 0.000 1.421 3313 I HN 0.398 nan 8.210 nan 0.000 0.513 3314 K N 4.903 125.320 120.400 0.029 0.000 2.319 3314 K HA 0.084 4.404 4.320 -0.001 0.000 0.265 3314 K C -0.065 176.548 176.600 0.022 0.000 1.000 3314 K CA -0.200 56.101 56.287 0.023 0.000 0.943 3314 K CB 0.846 33.359 32.500 0.021 0.000 0.950 3314 K HN 0.460 nan 8.250 nan 0.000 0.485 3315 E N 1.422 121.632 120.200 0.016 0.000 2.207 3315 E HA 0.171 4.521 4.350 -0.001 0.000 0.270 3315 E C -1.055 175.553 176.600 0.013 0.000 0.927 3315 E CA -0.590 55.818 56.400 0.013 0.000 0.799 3315 E CB 1.358 31.062 29.700 0.007 0.000 1.172 3315 E HN 0.637 nan 8.360 nan 0.000 0.404 3316 T N 1.101 115.662 114.554 0.013 0.000 2.813 3316 T HA 0.178 4.527 4.350 -0.001 0.000 0.297 3316 T C 0.746 175.451 174.700 0.008 0.000 1.036 3316 T CA -0.379 61.728 62.100 0.012 0.000 1.044 3316 T CB 0.761 69.637 68.868 0.013 0.000 0.993 3316 T HN 0.417 nan 8.240 nan 0.000 0.535 3317 E N 0.334 120.539 120.200 0.008 0.000 2.047 3317 E HA 0.045 4.394 4.350 -0.001 0.000 0.191 3317 E C 1.238 177.841 176.600 0.005 0.000 0.987 3317 E CA 1.032 57.436 56.400 0.006 0.000 0.799 3317 E CB -0.585 29.119 29.700 0.006 0.000 0.752 3317 E HN 0.780 nan 8.360 nan 0.000 0.449 3318 T N 1.314 115.871 114.554 0.006 0.000 2.930 3318 T HA -0.006 4.344 4.350 -0.001 0.000 0.306 3318 T C -0.425 174.277 174.700 0.004 0.000 1.045 3318 T CA -0.692 61.411 62.100 0.005 0.000 1.134 3318 T CB 0.208 69.080 68.868 0.006 0.000 0.961 3318 T HN -0.121 nan 8.240 nan 0.000 0.545 3319 D N 2.828 123.229 120.400 0.001 0.000 2.425 3319 D HA 0.493 5.133 4.640 -0.001 0.000 0.247 3319 D C -0.243 176.055 176.300 -0.002 0.000 1.147 3319 D CA 0.460 54.459 54.000 -0.001 0.000 0.879 3319 D CB 0.867 41.666 40.800 -0.003 0.000 1.179 3319 D HN 0.758 nan 8.370 nan 0.000 0.456 3320 A N 2.640 125.456 122.820 -0.006 0.000 2.547 3320 A HA 0.584 4.904 4.320 -0.001 0.000 0.297 3320 A C -0.849 176.721 177.584 -0.022 0.000 1.056 3320 A CA -0.774 51.258 52.037 -0.008 0.000 0.688 3320 A CB 1.603 20.604 19.000 0.002 0.000 1.282 3320 A HN 0.463 nan 8.150 nan 0.000 0.400 3321 E N 0.925 121.105 120.200 -0.033 0.000 2.314 3321 E HA 0.503 4.853 4.350 -0.001 0.000 0.272 3321 E C -1.428 175.118 176.600 -0.089 0.000 0.884 3321 E CA -0.850 55.514 56.400 -0.061 0.000 0.753 3321 E CB 2.312 31.981 29.700 -0.051 0.000 1.213 3321 E HN 0.497 nan 8.360 nan 0.000 0.432 3322 I N 2.197 122.665 120.570 -0.169 0.000 2.428 3322 I HA 0.153 4.323 4.170 -0.001 0.000 0.289 3322 I C 0.041 176.036 176.117 -0.202 0.000 1.019 3322 I CA -0.187 60.942 61.300 -0.285 0.000 1.351 3322 I CB 0.422 38.012 38.000 -0.682 0.000 1.412 3322 I HN 0.188 nan 8.210 nan 0.000 0.513 3323 R N 6.728 127.150 120.500 -0.130 0.000 2.310 3323 R HA 0.431 4.771 4.340 -0.001 0.000 0.316 3323 R C -0.993 175.295 176.300 -0.021 0.000 1.004 3323 R CA -0.764 55.299 56.100 -0.061 0.000 0.900 3323 R CB 0.854 31.142 30.300 -0.020 0.000 1.152 3323 R HN 0.409 nan 8.270 nan 0.000 0.513 3324 I N 3.047 123.595 120.570 -0.036 0.000 2.416 3324 I HA 0.058 4.228 4.170 -0.001 0.000 0.288 3324 I C 1.642 177.780 176.117 0.035 0.000 1.051 3324 I CA 0.320 61.635 61.300 0.025 0.000 1.375 3324 I CB 1.102 39.107 38.000 0.008 0.000 1.407 3324 I HN 0.519 nan 8.210 nan 0.000 0.516 3325 T N 0.022 114.611 114.554 0.059 0.000 3.040 3325 T HA 0.221 4.570 4.350 -0.001 0.000 0.266 3325 T C 0.261 174.985 174.700 0.040 0.000 1.005 3325 T CA -0.227 61.898 62.100 0.042 0.000 0.906 3325 T CB 0.563 69.457 68.868 0.042 0.000 1.082 3325 T HN 0.576 nan 8.240 nan 0.000 0.531 3326 D N 0.842 121.273 120.400 0.052 0.000 2.886 3326 D HA 0.257 4.897 4.640 -0.001 0.000 0.216 3326 D C -2.301 174.029 176.300 0.050 0.000 1.256 3326 D CA -1.691 52.335 54.000 0.043 0.000 0.844 3326 D CB 2.912 43.735 40.800 0.039 0.000 1.669 3326 D HN -0.242 nan 8.370 nan 0.000 0.513 3327 P HA -0.096 nan 4.420 nan 0.000 0.219 3327 P C 1.042 178.367 177.300 0.041 0.000 1.146 3327 P CA 0.834 63.956 63.100 0.036 0.000 0.808 3327 P CB 0.300 32.015 31.700 0.024 0.000 0.779 3328 A N 0.526 123.367 122.820 0.035 0.000 1.930 3328 A HA -0.156 4.163 4.320 -0.001 0.000 0.217 3328 A C 2.394 180.002 177.584 0.040 0.000 1.175 3328 A CA 1.710 53.765 52.037 0.030 0.000 0.627 3328 A CB -1.071 17.940 19.000 0.017 0.000 0.815 3328 A HN 0.159 nan 8.150 nan 0.000 0.443 3329 K N -0.683 119.754 120.400 0.062 0.000 2.103 3329 K HA -0.073 4.246 4.320 -0.001 0.000 0.204 3329 K C 1.843 178.580 176.600 0.229 0.000 1.052 3329 K CA 1.125 57.476 56.287 0.107 0.000 0.945 3329 K CB -0.258 32.323 32.500 0.135 0.000 0.722 3329 K HN 0.305 nan 8.250 nan 0.000 0.443 3330 L N 1.091 122.420 121.223 0.178 0.000 2.043 3330 L HA -0.205 4.134 4.340 -0.001 0.000 0.212 3330 L C 2.028 179.002 176.870 0.173 0.000 1.075 3330 L CA 1.761 56.706 54.840 0.175 0.000 0.752 3330 L CB -0.304 41.806 42.059 0.085 0.000 0.891 3330 L HN 0.282 nan 8.230 nan 0.000 0.432 3331 M N -1.158 118.507 119.600 0.109 0.000 2.254 3331 M HA -0.118 4.361 4.480 -0.001 0.000 0.265 3331 M C 2.129 178.462 176.300 0.056 0.000 1.066 3331 M CA 1.199 56.543 55.300 0.074 0.000 1.123 3331 M CB -1.035 31.591 32.600 0.043 0.000 1.388 3331 M HN 0.352 nan 8.290 nan 0.000 0.425 3332 E N -0.146 120.070 120.200 0.026 0.000 2.097 3332 E HA -0.199 4.151 4.350 -0.001 0.000 0.196 3332 E C 1.865 178.379 176.600 -0.143 0.000 1.000 3332 E CA 1.399 57.745 56.400 -0.090 0.000 0.804 3332 E CB -0.203 29.388 29.700 -0.182 0.000 0.740 3332 E HN 0.400 nan 8.360 nan 0.000 0.454 3333 F N 0.420 120.376 119.950 0.010 0.000 2.163 3333 F HA -0.067 4.460 4.527 -0.000 0.000 0.297 3333 F C 2.217 178.027 175.800 0.017 0.000 1.094 3333 F CA 0.643 58.650 58.000 0.012 0.000 1.290 3333 F CB -0.177 38.829 39.000 0.010 0.000 1.017 3333 F HN -0.047 nan 8.300 nan 0.000 0.483 3334 I N 0.192 120.885 120.570 0.205 0.000 2.194 3334 I HA -0.321 3.848 4.170 -0.001 0.000 0.246 3334 I C 2.055 178.228 176.117 0.094 0.000 1.093 3334 I CA 1.673 63.047 61.300 0.124 0.000 1.355 3334 I CB -0.458 37.595 38.000 0.089 0.000 1.046 3334 I HN 0.220 nan 8.210 nan 0.000 0.413 3335 E N -0.161 120.080 120.200 0.068 0.000 2.274 3335 E HA -0.242 4.108 4.350 -0.001 0.000 0.194 3335 E C 2.025 178.647 176.600 0.038 0.000 0.996 3335 E CA 0.544 56.974 56.400 0.049 0.000 0.840 3335 E CB 0.020 29.734 29.700 0.022 0.000 0.772 3335 E HN 0.370 nan 8.360 nan 0.000 0.491 3336 Q N 1.151 120.969 119.800 0.030 0.000 2.137 3336 Q HA -0.147 4.193 4.340 -0.001 0.000 0.198 3336 Q C 1.432 177.465 176.000 0.054 0.000 0.960 3336 Q CA 1.329 57.142 55.803 0.017 0.000 0.847 3336 Q CB 0.203 28.933 28.738 -0.015 0.000 0.915 3336 Q HN 0.084 nan 8.270 nan 0.000 0.448 3337 E N 0.175 120.429 120.200 0.091 0.000 2.150 3337 E HA -0.135 4.215 4.350 -0.001 0.000 0.193 3337 E C 1.671 178.339 176.600 0.114 0.000 0.985 3337 E CA 1.147 57.605 56.400 0.097 0.000 0.814 3337 E CB 0.066 29.828 29.700 0.103 0.000 0.752 3337 E HN 0.472 nan 8.360 nan 0.000 0.466 3338 E N 0.425 120.702 120.200 0.128 0.000 2.051 3338 E HA -0.208 4.142 4.350 -0.001 0.000 0.192 3338 E C 1.963 178.622 176.600 0.098 0.000 0.991 3338 E CA 1.047 57.573 56.400 0.210 0.000 0.799 3338 E CB -0.058 29.761 29.700 0.198 0.000 0.748 3338 E HN 0.078 nan 8.360 nan 0.000 0.449 3339 K N 0.833 121.243 120.400 0.017 0.000 2.057 3339 K HA -0.170 4.150 4.320 -0.001 0.000 0.207 3339 K C 2.234 178.789 176.600 -0.075 0.000 1.049 3339 K CA 1.190 57.438 56.287 -0.065 0.000 0.931 3339 K CB -0.062 32.415 32.500 -0.039 0.000 0.714 3339 K HN 0.078 nan 8.250 nan 0.000 0.440 3340 M N 0.766 120.359 119.600 -0.012 0.000 2.067 3340 M HA -0.187 4.293 4.480 -0.001 0.000 0.260 3340 M C 1.876 178.172 176.300 -0.007 0.000 1.069 3340 M CA 1.622 56.921 55.300 -0.001 0.000 1.117 3340 M CB -0.070 32.550 32.600 0.034 0.000 1.334 3340 M HN 0.182 nan 8.290 nan 0.000 0.407 3341 L N -0.010 121.237 121.223 0.041 0.000 2.083 3341 L HA -0.217 4.122 4.340 -0.001 0.000 0.209 3341 L C 2.690 179.546 176.870 -0.022 0.000 1.083 3341 L CA 1.053 55.949 54.840 0.093 0.000 0.752 3341 L CB -0.919 41.290 42.059 0.251 0.000 0.899 3341 L HN 0.379 nan 8.230 nan 0.000 0.433 3342 K N 0.402 120.590 120.400 -0.354 0.000 2.097 3342 K HA -0.208 4.112 4.320 -0.001 0.000 0.206 3342 K C 1.401 177.827 176.600 -0.290 0.000 1.049 3342 K CA 1.733 57.598 56.287 -0.703 0.000 0.933 3342 K CB -0.092 31.849 32.500 -0.933 0.000 0.717 3342 K HN 0.276 nan 8.250 nan 0.000 0.442 3343 D N 0.293 120.590 120.400 -0.173 0.000 2.183 3343 D HA -0.094 4.546 4.640 -0.001 0.000 0.203 3343 D C 1.960 178.224 176.300 -0.060 0.000 0.969 3343 D CA 0.689 54.630 54.000 -0.098 0.000 0.842 3343 D CB 0.050 40.810 40.800 -0.067 0.000 0.957 3343 D HN 0.175 nan 8.370 nan 0.000 0.484 3344 M N 0.212 119.787 119.600 -0.042 0.000 2.132 3344 M HA -0.079 4.400 4.480 -0.001 0.000 0.263 3344 M C 2.252 178.546 176.300 -0.010 0.000 1.065 3344 M CA 0.708 56.002 55.300 -0.011 0.000 1.122 3344 M CB -0.735 31.873 32.600 0.013 0.000 1.365 3344 M HN -0.084 nan 8.290 nan 0.000 0.411 3345 V N 0.299 120.203 119.914 -0.017 0.000 2.453 3345 V HA -0.137 3.982 4.120 -0.001 0.000 0.247 3345 V C 2.669 178.745 176.094 -0.031 0.000 1.048 3345 V CA 1.546 63.840 62.300 -0.009 0.000 1.049 3345 V CB -1.234 30.600 31.823 0.020 0.000 0.672 3345 V HN 0.459 nan 8.190 nan 0.000 0.457 3346 A N -0.015 122.770 122.820 -0.058 0.000 1.972 3346 A HA -0.233 4.087 4.320 -0.001 0.000 0.219 3346 A C 2.168 179.732 177.584 -0.034 0.000 1.169 3346 A CA 1.976 53.981 52.037 -0.054 0.000 0.635 3346 A CB -0.394 18.561 19.000 -0.075 0.000 0.810 3346 A HN 0.550 nan 8.150 nan 0.000 0.446 3347 E N 0.291 120.475 120.200 -0.028 0.000 2.072 3347 E HA -0.088 4.262 4.350 -0.001 0.000 0.190 3347 E C 1.683 178.277 176.600 -0.010 0.000 0.982 3347 E CA 1.195 57.585 56.400 -0.016 0.000 0.803 3347 E CB -0.358 29.335 29.700 -0.012 0.000 0.755 3347 E HN 0.635 nan 8.360 nan 0.000 0.453 3348 I N 0.295 120.860 120.570 -0.008 0.000 2.179 3348 I HA -0.253 3.917 4.170 -0.001 0.000 0.242 3348 I C 2.299 178.412 176.117 -0.007 0.000 1.088 3348 I CA 1.267 62.565 61.300 -0.004 0.000 1.357 3348 I CB -0.250 37.748 38.000 -0.004 0.000 1.051 3348 I HN 0.068 nan 8.210 nan 0.000 0.409 3349 K N 1.578 121.970 120.400 -0.013 0.000 2.097 3349 K HA -0.107 4.212 4.320 -0.001 0.000 0.206 3349 K C 2.035 178.628 176.600 -0.012 0.000 1.049 3349 K CA 1.628 57.906 56.287 -0.014 0.000 0.933 3349 K CB -0.356 32.132 32.500 -0.020 0.000 0.717 3349 K HN 0.276 nan 8.250 nan 0.000 0.442 3350 A N -0.167 122.646 122.820 -0.013 0.000 1.933 3350 A HA -0.119 4.200 4.320 -0.001 0.000 0.218 3350 A C 2.184 179.765 177.584 -0.005 0.000 1.175 3350 A CA 2.063 54.094 52.037 -0.010 0.000 0.628 3350 A CB -0.719 18.273 19.000 -0.012 0.000 0.814 3350 A HN 0.354 nan 8.150 nan 0.000 0.444 3351 S N -1.793 113.906 115.700 -0.003 0.000 2.423 3351 S HA 0.233 4.702 4.470 -0.001 0.000 0.231 3351 S C 1.533 176.135 174.600 0.004 0.000 1.014 3351 S CA 1.258 59.459 58.200 0.002 0.000 0.965 3351 S CB -0.123 63.081 63.200 0.006 0.000 0.785 3351 S HN 1.683 nan 8.310 nan 0.000 0.495 3352 G N 0.580 109.380 108.800 0.001 0.000 2.168 3352 G HA2 -0.072 3.888 3.960 -0.001 0.000 0.197 3352 G HA3 -0.072 3.888 3.960 -0.001 0.000 0.197 3352 G C 0.086 174.987 174.900 0.003 0.000 0.997 3352 G CA -0.178 44.922 45.100 0.002 0.000 0.658 3352 G HN 0.805 nan 8.290 nan 0.000 0.513 3353 A N 0.260 123.081 122.820 0.003 0.000 2.407 3353 A HA 0.638 4.958 4.320 -0.001 0.000 0.248 3353 A C 0.938 178.517 177.584 -0.007 0.000 1.082 3353 A CA 0.943 52.981 52.037 0.003 0.000 0.785 3353 A CB 0.251 19.253 19.000 0.005 0.000 1.020 3353 A HN 1.296 nan 8.150 nan 0.000 0.489 3354 N N -0.633 118.060 118.700 -0.011 0.000 2.036 3354 N HA 0.202 4.942 4.740 -0.001 0.000 0.228 3354 N C -0.959 174.524 175.510 -0.045 0.000 1.368 3354 N CA 0.053 53.089 53.050 -0.024 0.000 0.846 3354 N CB 0.483 38.961 38.487 -0.015 0.000 1.145 3354 N HN 0.268 nan 8.380 nan 0.000 0.502 3355 V N 1.519 121.403 119.914 -0.050 0.000 2.656 3355 V HA 0.561 4.681 4.120 -0.001 0.000 0.307 3355 V C -1.145 174.860 176.094 -0.148 0.000 1.051 3355 V CA -0.770 61.457 62.300 -0.122 0.000 0.893 3355 V CB 2.402 34.197 31.823 -0.047 0.000 0.999 3355 V HN 0.230 nan 8.190 nan 0.000 0.426 3356 L N 5.462 126.497 121.223 -0.312 0.000 2.441 3356 L HA 0.615 4.954 4.340 -0.001 0.000 0.270 3356 L C -1.927 174.706 176.870 -0.395 0.000 0.973 3356 L CA -0.104 54.604 54.840 -0.220 0.000 0.842 3356 L CB 1.600 43.590 42.059 -0.115 0.000 1.239 3356 L HN 0.598 nan 8.230 nan 0.000 0.406 3357 F N 4.391 124.345 119.950 0.006 0.000 2.402 3357 F HA 0.361 4.887 4.527 -0.001 0.000 0.355 3357 F C 0.397 176.199 175.800 0.005 0.000 1.123 3357 F CA -0.479 57.524 58.000 0.004 0.000 1.021 3357 F CB 1.492 40.492 39.000 -0.001 0.000 1.160 3357 F HN 0.437 nan 8.300 nan 0.000 0.451 3358 C N 5.190 124.577 119.300 0.145 0.000 2.281 3358 C HA 0.221 4.681 4.460 -0.001 0.000 0.325 3358 C C 1.624 176.667 174.990 0.088 0.000 1.282 3358 C CA -0.473 58.599 59.018 0.091 0.000 1.640 3358 C CB 0.650 28.420 27.740 0.050 0.000 2.288 3358 C HN 0.960 nan 8.230 nan 0.000 0.507 3359 Q N 3.530 123.372 119.800 0.070 0.000 2.170 3359 Q HA -0.062 4.277 4.340 -0.001 0.000 0.203 3359 Q C 0.751 176.774 176.000 0.038 0.000 0.976 3359 Q CA 1.631 57.463 55.803 0.049 0.000 0.858 3359 Q CB 0.188 28.946 28.738 0.034 0.000 0.907 3359 Q HN 0.761 nan 8.270 nan 0.000 0.433 3360 K N -1.159 119.262 120.400 0.036 0.000 2.632 3360 K HA 0.446 4.765 4.320 -0.001 0.000 0.267 3360 K C 0.319 176.936 176.600 0.030 0.000 1.028 3360 K CA -0.202 56.102 56.287 0.028 0.000 1.045 3360 K CB 0.189 32.703 32.500 0.024 0.000 1.400 3360 K HN 0.112 nan 8.250 nan 0.000 0.522 3361 G N 0.261 109.076 108.800 0.024 0.000 2.599 3361 G HA2 0.436 4.396 3.960 -0.001 0.000 0.264 3361 G HA3 0.436 4.396 3.960 -0.001 0.000 0.264 3361 G C -0.528 174.385 174.900 0.023 0.000 1.200 3361 G CA -0.527 44.586 45.100 0.022 0.000 0.896 3361 G HN 0.367 nan 8.290 nan 0.000 0.536 3362 I N 0.246 120.828 120.570 0.021 0.000 2.499 3362 I HA 0.169 4.339 4.170 -0.001 0.000 0.288 3362 I C -0.494 175.637 176.117 0.022 0.000 1.048 3362 I CA -0.788 60.525 61.300 0.023 0.000 1.062 3362 I CB 2.157 40.167 38.000 0.017 0.000 1.238 3362 I HN 0.429 nan 8.210 nan 0.000 0.426 3363 D N 5.314 125.733 120.400 0.031 0.000 2.443 3363 D HA -0.074 4.566 4.640 -0.001 0.000 0.239 3363 D C 0.755 177.066 176.300 0.018 0.000 1.136 3363 D CA 0.062 54.079 54.000 0.028 0.000 0.879 3363 D CB 1.331 42.157 40.800 0.043 0.000 1.195 3363 D HN 0.639 nan 8.370 nan 0.000 0.443 3364 D N 3.567 123.968 120.400 0.002 0.000 2.158 3364 D HA -0.257 4.383 4.640 -0.001 0.000 0.197 3364 D C 1.956 178.234 176.300 -0.036 0.000 0.995 3364 D CA 0.777 54.769 54.000 -0.015 0.000 0.846 3364 D CB -0.373 40.412 40.800 -0.024 0.000 0.941 3364 D HN 0.362 nan 8.370 nan 0.000 0.456 3365 L N 0.562 121.756 121.223 -0.048 0.000 2.072 3365 L HA 0.147 4.487 4.340 -0.001 0.000 0.205 3365 L C 2.378 179.161 176.870 -0.145 0.000 1.079 3365 L CA 1.862 56.621 54.840 -0.135 0.000 0.752 3365 L CB -0.991 41.017 42.059 -0.085 0.000 0.906 3365 L HN 0.103 nan 8.230 nan 0.000 0.436 3366 A N -1.131 121.718 122.820 0.048 0.000 1.972 3366 A HA -0.244 4.076 4.320 -0.001 0.000 0.219 3366 A C 2.165 179.805 177.584 0.093 0.000 1.169 3366 A CA 1.731 53.867 52.037 0.166 0.000 0.635 3366 A CB -0.520 18.561 19.000 0.136 0.000 0.810 3366 A HN 0.667 nan 8.150 nan 0.000 0.446 3367 Q N -1.654 118.167 119.800 0.034 0.000 2.124 3367 Q HA -0.216 4.123 4.340 -0.001 0.000 0.202 3367 Q C 2.045 178.055 176.000 0.016 0.000 0.977 3367 Q CA 1.681 57.496 55.803 0.020 0.000 0.850 3367 Q CB -0.317 28.427 28.738 0.011 0.000 0.901 3367 Q HN 0.933 nan 8.270 nan 0.000 0.429 3368 H N -0.391 118.610 119.070 -0.115 0.000 2.353 3368 H HA -0.172 4.383 4.556 -0.001 0.000 0.300 3368 H C 1.356 176.632 175.328 -0.087 0.000 1.090 3368 H CA 1.716 57.673 56.048 -0.151 0.000 1.327 3368 H CB -0.079 29.518 29.762 -0.275 0.000 1.383 3368 H HN 0.224 nan 8.280 nan 0.000 0.508 3369 Y N 0.179 120.456 120.300 -0.039 0.000 2.224 3369 Y HA -0.133 4.416 4.550 -0.001 0.000 0.289 3369 Y C 2.566 178.404 175.900 -0.104 0.000 1.146 3369 Y CA 1.040 59.087 58.100 -0.089 0.000 1.182 3369 Y CB -0.645 37.813 38.460 -0.004 0.000 0.983 3369 Y HN 0.218 nan 8.280 nan 0.000 0.524 3370 L N -1.034 120.236 121.223 0.079 0.000 2.046 3370 L HA -0.226 4.114 4.340 -0.001 0.000 0.208 3370 L C 2.641 179.491 176.870 -0.035 0.000 1.077 3370 L CA 1.239 56.088 54.840 0.014 0.000 0.747 3370 L CB -0.832 41.228 42.059 0.003 0.000 0.896 3370 L HN 0.183 nan 8.230 nan 0.000 0.432 3371 A N -0.122 122.656 122.820 -0.069 0.000 1.930 3371 A HA -0.246 4.074 4.320 -0.001 0.000 0.217 3371 A C 2.368 179.881 177.584 -0.119 0.000 1.175 3371 A CA 1.823 53.805 52.037 -0.092 0.000 0.627 3371 A CB -0.425 18.517 19.000 -0.096 0.000 0.815 3371 A HN 0.328 nan 8.150 nan 0.000 0.443 3372 K N -0.425 119.867 120.400 -0.180 0.000 2.147 3372 K HA -0.142 4.177 4.320 -0.001 0.000 0.205 3372 K C 1.031 177.595 176.600 -0.059 0.000 1.049 3372 K CA 1.485 57.686 56.287 -0.143 0.000 0.936 3372 K CB 0.005 32.421 32.500 -0.140 0.000 0.722 3372 K HN 0.335 nan 8.250 nan 0.000 0.446 3373 E N -0.719 119.458 120.200 -0.039 0.000 2.479 3373 E HA 0.058 4.408 4.350 -0.001 0.000 0.193 3373 E C 0.688 177.271 176.600 -0.028 0.000 1.049 3373 E CA 0.665 57.049 56.400 -0.026 0.000 0.870 3373 E CB 0.828 30.517 29.700 -0.018 0.000 0.944 3373 E HN 0.538 nan 8.360 nan 0.000 0.492 3374 G N 1.925 110.704 108.800 -0.036 0.000 2.147 3374 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.244 3374 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.244 3374 G C 0.229 175.108 174.900 -0.034 0.000 1.005 3374 G CA 0.100 45.181 45.100 -0.032 0.000 0.713 3374 G HN 0.271 nan 8.290 nan 0.000 0.515 3375 I N 1.137 121.683 120.570 -0.040 0.000 2.325 3375 I HA 0.403 4.573 4.170 -0.001 0.000 0.291 3375 I C 1.074 177.151 176.117 -0.066 0.000 1.019 3375 I CA -1.053 60.218 61.300 -0.049 0.000 1.302 3375 I CB 1.490 39.465 38.000 -0.043 0.000 1.401 3375 I HN 0.153 nan 8.210 nan 0.000 0.485 3376 V N 3.908 123.771 119.914 -0.085 0.000 2.546 3376 V HA 0.905 5.025 4.120 -0.001 0.000 0.284 3376 V C 0.094 176.071 176.094 -0.195 0.000 1.050 3376 V CA -0.253 61.979 62.300 -0.112 0.000 0.981 3376 V CB 1.101 32.865 31.823 -0.098 0.000 0.990 3376 V HN 0.834 nan 8.190 nan 0.000 0.474 3377 A N 3.533 126.238 122.820 -0.191 0.000 2.549 3377 A HA 1.015 5.334 4.320 -0.001 0.000 0.297 3377 A C -0.400 177.066 177.584 -0.196 0.000 1.061 3377 A CA -0.287 51.607 52.037 -0.238 0.000 0.690 3377 A CB 1.817 20.737 19.000 -0.133 0.000 1.287 3377 A HN 2.381 nan 8.150 nan 0.000 0.402 3378 A N 1.391 124.078 122.820 -0.220 0.000 2.449 3378 A HA 0.848 5.167 4.320 -0.001 0.000 0.302 3378 A C -0.302 177.295 177.584 0.022 0.000 1.048 3378 A CA -0.607 51.399 52.037 -0.053 0.000 0.708 3378 A CB 1.157 20.184 19.000 0.045 0.000 1.274 3378 A HN 1.404 nan 8.150 nan 0.000 0.410 3379 R N 1.386 121.909 120.500 0.037 0.000 2.832 3379 R HA 0.795 5.135 4.340 -0.001 0.000 0.271 3379 R C -0.471 175.861 176.300 0.052 0.000 0.996 3379 R CA -0.768 55.358 56.100 0.044 0.000 0.977 3379 R CB 0.802 31.117 30.300 0.025 0.000 1.168 3379 R HN 0.577 nan 8.270 nan 0.000 0.482 3380 R N -0.134 120.394 120.500 0.048 0.000 3.532 3380 R HA -0.097 4.243 4.340 -0.001 0.000 0.284 3380 R C -0.773 175.553 176.300 0.043 0.000 1.140 3380 R CA 0.602 56.725 56.100 0.038 0.000 0.768 3380 R CB -2.349 27.967 30.300 0.027 0.000 1.252 3380 R HN 0.548 nan 8.270 nan 0.000 0.454 3381 V N 1.497 121.449 119.914 0.063 0.000 2.572 3381 V HA 0.063 4.182 4.120 -0.001 0.000 0.291 3381 V C 1.426 177.531 176.094 0.018 0.000 1.039 3381 V CA -0.112 62.222 62.300 0.057 0.000 1.055 3381 V CB 1.333 33.216 31.823 0.101 0.000 0.969 3381 V HN 0.137 nan 8.190 nan 0.000 0.482 3382 K N 4.155 124.552 120.400 -0.004 0.000 2.448 3382 K HA 0.029 4.349 4.320 -0.001 0.000 0.278 3382 K C 1.388 177.975 176.600 -0.022 0.000 1.009 3382 K CA -0.242 56.036 56.287 -0.014 0.000 0.995 3382 K CB 0.356 32.841 32.500 -0.025 0.000 0.917 3382 K HN 0.609 nan 8.250 nan 0.000 0.481 3383 K N 2.140 122.531 120.400 -0.014 0.000 2.074 3383 K HA -0.197 4.122 4.320 -0.001 0.000 0.209 3383 K C 1.766 178.349 176.600 -0.028 0.000 1.048 3383 K CA 1.958 58.235 56.287 -0.016 0.000 0.926 3383 K CB -0.230 32.265 32.500 -0.009 0.000 0.713 3383 K HN 0.683 nan 8.250 nan 0.000 0.444 3384 S N 1.037 116.718 115.700 -0.031 0.000 2.370 3384 S HA -0.163 4.306 4.470 -0.001 0.000 0.226 3384 S C 1.378 175.941 174.600 -0.061 0.000 1.033 3384 S CA 1.794 59.970 58.200 -0.040 0.000 1.011 3384 S CB -0.216 62.962 63.200 -0.036 0.000 0.852 3384 S HN 0.303 nan 8.310 nan 0.000 0.457 3385 D N 0.837 121.191 120.400 -0.076 0.000 2.144 3385 D HA -0.044 4.596 4.640 -0.001 0.000 0.199 3385 D C 2.000 178.207 176.300 -0.155 0.000 0.984 3385 D CA 0.923 54.849 54.000 -0.123 0.000 0.834 3385 D CB -0.252 40.471 40.800 -0.130 0.000 0.955 3385 D HN 0.384 nan 8.370 nan 0.000 0.465 3386 M N 0.449 119.985 119.600 -0.107 0.000 2.175 3386 M HA -0.081 4.398 4.480 -0.001 0.000 0.264 3386 M C 1.902 178.156 176.300 -0.077 0.000 1.063 3386 M CA 1.192 56.437 55.300 -0.091 0.000 1.119 3386 M CB -0.774 31.806 32.600 -0.033 0.000 1.377 3386 M HN 0.111 nan 8.290 nan 0.000 0.415 3387 E N 0.087 120.251 120.200 -0.061 0.000 2.072 3387 E HA -0.135 4.215 4.350 -0.001 0.000 0.190 3387 E C 2.061 178.628 176.600 -0.056 0.000 0.982 3387 E CA 0.836 57.208 56.400 -0.046 0.000 0.803 3387 E CB -0.005 29.674 29.700 -0.034 0.000 0.755 3387 E HN 0.500 nan 8.360 nan 0.000 0.453 3388 K N 0.648 121.003 120.400 -0.075 0.000 2.097 3388 K HA -0.096 4.224 4.320 -0.001 0.000 0.206 3388 K C 2.200 178.745 176.600 -0.091 0.000 1.049 3388 K CA 0.807 57.048 56.287 -0.077 0.000 0.933 3388 K CB -0.087 32.359 32.500 -0.090 0.000 0.717 3388 K HN 0.110 nan 8.250 nan 0.000 0.442 3389 L N 0.508 121.650 121.223 -0.135 0.000 2.083 3389 L HA -0.182 4.157 4.340 -0.001 0.000 0.209 3389 L C 2.585 179.412 176.870 -0.072 0.000 1.083 3389 L CA 1.083 55.834 54.840 -0.149 0.000 0.752 3389 L CB -0.548 41.347 42.059 -0.274 0.000 0.899 3389 L HN 0.198 nan 8.230 nan 0.000 0.433 3390 A N -0.269 122.519 122.820 -0.052 0.000 1.898 3390 A HA -0.166 4.153 4.320 -0.001 0.000 0.216 3390 A C 2.340 179.917 177.584 -0.012 0.000 1.181 3390 A CA 1.319 53.344 52.037 -0.020 0.000 0.620 3390 A CB -0.241 18.750 19.000 -0.015 0.000 0.819 3390 A HN 0.187 nan 8.150 nan 0.000 0.442 3391 K N -0.007 120.381 120.400 -0.020 0.000 2.002 3391 K HA -0.064 4.256 4.320 -0.001 0.000 0.209 3391 K C 2.342 178.941 176.600 -0.002 0.000 1.048 3391 K CA 1.443 57.723 56.287 -0.011 0.000 0.930 3391 K CB -0.875 31.615 32.500 -0.016 0.000 0.714 3391 K HN 0.435 nan 8.250 nan 0.000 0.438 3392 A N 1.270 124.083 122.820 -0.011 0.000 1.841 3392 A HA -0.146 4.173 4.320 -0.001 0.000 0.214 3392 A C 2.380 179.972 177.584 0.014 0.000 1.195 3392 A CA 2.727 54.764 52.037 -0.001 0.000 0.611 3392 A CB -1.075 17.915 19.000 -0.016 0.000 0.835 3392 A HN 0.517 nan 8.150 nan 0.000 0.443 3393 T N -4.474 110.086 114.554 0.010 0.000 3.043 3393 T HA 0.368 4.718 4.350 -0.001 0.000 0.263 3393 T C 1.490 176.209 174.700 0.032 0.000 1.094 3393 T CA 1.252 63.367 62.100 0.025 0.000 1.127 3393 T CB -0.070 68.817 68.868 0.032 0.000 0.905 3393 T HN 1.833 nan 8.240 nan 0.000 0.490 3394 G N 1.466 110.281 108.800 0.025 0.000 2.143 3394 G HA2 -0.022 3.937 3.960 -0.001 0.000 0.249 3394 G HA3 -0.022 3.937 3.960 -0.001 0.000 0.249 3394 G C 0.280 175.195 174.900 0.025 0.000 0.981 3394 G CA -0.003 45.113 45.100 0.026 0.000 0.665 3394 G HN 1.185 nan 8.290 nan 0.000 0.528 3395 A N -0.285 122.551 122.820 0.027 0.000 2.445 3395 A HA 0.561 4.880 4.320 -0.001 0.000 0.242 3395 A C 0.428 178.027 177.584 0.026 0.000 1.075 3395 A CA 0.671 52.730 52.037 0.035 0.000 0.777 3395 A CB 0.391 19.423 19.000 0.052 0.000 1.013 3395 A HN 0.884 nan 8.150 nan 0.000 0.493 3396 N N 1.488 120.206 118.700 0.030 0.000 2.417 3396 N HA 0.375 5.115 4.740 -0.001 0.000 0.274 3396 N C -1.009 174.518 175.510 0.027 0.000 0.987 3396 N CA -0.420 52.644 53.050 0.023 0.000 0.912 3396 N CB 1.375 39.873 38.487 0.020 0.000 1.177 3396 N HN 0.283 nan 8.380 nan 0.000 0.490 3397 V N 4.815 124.742 119.914 0.022 0.000 2.485 3397 V HA 0.177 4.297 4.120 -0.001 0.000 0.287 3397 V C 0.335 176.443 176.094 0.022 0.000 1.022 3397 V CA -0.070 62.245 62.300 0.025 0.000 1.067 3397 V CB -0.114 31.718 31.823 0.016 0.000 0.967 3397 V HN 0.516 nan 8.190 nan 0.000 0.479 3398 I N 4.126 124.713 120.570 0.027 0.000 2.404 3398 I HA 0.423 4.592 4.170 -0.001 0.000 0.293 3398 I C 1.026 177.156 176.117 0.022 0.000 0.992 3398 I CA -0.369 60.944 61.300 0.022 0.000 1.149 3398 I CB 1.407 39.420 38.000 0.022 0.000 1.315 3398 I HN 0.626 nan 8.210 nan 0.000 0.446 3399 A N 5.381 128.212 122.820 0.017 0.000 1.872 3399 A HA 0.313 4.633 4.320 -0.001 0.000 0.214 3399 A C 1.111 178.705 177.584 0.017 0.000 1.187 3399 A CA 1.117 53.163 52.037 0.016 0.000 0.614 3399 A CB -0.037 18.971 19.000 0.013 0.000 0.826 3399 A HN 0.734 nan 8.150 nan 0.000 0.442 3400 A N -0.904 121.925 122.820 0.015 0.000 2.317 3400 A HA 0.654 4.973 4.320 -0.001 0.000 0.327 3400 A C 0.767 178.360 177.584 0.015 0.000 1.178 3400 A CA -0.599 51.446 52.037 0.015 0.000 0.817 3400 A CB 0.422 19.429 19.000 0.012 0.000 1.189 3400 A HN 0.306 nan 8.150 nan 0.000 0.489 3401 I N 1.899 122.478 120.570 0.015 0.000 2.264 3401 I HA -0.311 3.859 4.170 -0.001 0.000 0.248 3401 I C 2.752 178.875 176.117 0.010 0.000 1.111 3401 I CA 1.795 63.103 61.300 0.014 0.000 1.382 3401 I CB -0.205 37.804 38.000 0.014 0.000 1.060 3401 I HN 0.760 nan 8.210 nan 0.000 0.418 3402 A N 0.657 123.482 122.820 0.009 0.000 1.972 3402 A HA -0.128 4.192 4.320 -0.001 0.000 0.219 3402 A C 2.421 180.009 177.584 0.006 0.000 1.169 3402 A CA 1.720 53.761 52.037 0.006 0.000 0.635 3402 A CB -0.654 18.349 19.000 0.006 0.000 0.810 3402 A HN 0.447 nan 8.150 nan 0.000 0.446 3403 A N -0.700 122.125 122.820 0.009 0.000 2.206 3403 A HA 0.341 4.661 4.320 -0.001 0.000 0.211 3403 A C 0.915 178.504 177.584 0.010 0.000 1.158 3403 A CA -0.125 51.917 52.037 0.009 0.000 0.761 3403 A CB -0.493 18.513 19.000 0.010 0.000 0.801 3403 A HN 0.456 nan 8.150 nan 0.000 0.473 3404 L N 1.529 122.758 121.223 0.010 0.000 2.490 3404 L HA 0.193 4.533 4.340 -0.001 0.000 0.274 3404 L C 0.719 177.594 176.870 0.009 0.000 1.201 3404 L CA 0.167 55.014 54.840 0.011 0.000 0.869 3404 L CB 0.559 42.625 42.059 0.011 0.000 1.123 3404 L HN 0.470 nan 8.230 nan 0.000 0.484 3405 S N 1.319 117.025 115.700 0.010 0.000 2.651 3405 S HA 0.612 5.081 4.470 -0.001 0.000 0.279 3405 S C 0.439 175.046 174.600 0.011 0.000 1.148 3405 S CA -0.283 57.922 58.200 0.009 0.000 0.837 3405 S CB 1.652 64.857 63.200 0.008 0.000 1.138 3405 S HN 0.598 nan 8.310 nan 0.000 0.478 3406 A N 0.592 123.418 122.820 0.009 0.000 1.978 3406 A HA -0.068 4.251 4.320 -0.001 0.000 0.220 3406 A C 1.947 179.540 177.584 0.014 0.000 1.170 3406 A CA 1.335 53.378 52.037 0.011 0.000 0.636 3406 A CB -0.845 18.160 19.000 0.009 0.000 0.810 3406 A HN 0.731 nan 8.150 nan 0.000 0.448 3407 Q N 0.118 119.926 119.800 0.013 0.000 2.436 3407 Q HA -0.090 4.249 4.340 -0.001 0.000 0.209 3407 Q C 0.389 176.399 176.000 0.017 0.000 0.965 3407 Q CA 0.938 56.749 55.803 0.014 0.000 0.910 3407 Q CB -0.189 28.555 28.738 0.011 0.000 0.980 3407 Q HN 0.658 nan 8.270 nan 0.000 0.491 3408 D N -0.182 120.229 120.400 0.018 0.000 2.339 3408 D HA 0.083 4.723 4.640 -0.001 0.000 0.217 3408 D C 0.407 176.723 176.300 0.028 0.000 1.050 3408 D CA 0.104 54.117 54.000 0.022 0.000 0.856 3408 D CB 0.606 41.418 40.800 0.021 0.000 0.922 3408 D HN 0.197 nan 8.370 nan 0.000 0.518 3409 L N 0.777 122.017 121.223 0.028 0.000 2.371 3409 L HA 0.430 4.770 4.340 -0.001 0.000 0.272 3409 L C 1.120 178.012 176.870 0.036 0.000 1.124 3409 L CA -0.531 54.330 54.840 0.034 0.000 0.816 3409 L CB 1.394 43.470 42.059 0.029 0.000 1.129 3409 L HN -0.138 nan 8.230 nan 0.000 0.448 3410 G N 1.122 109.949 108.800 0.045 0.000 2.471 3410 G HA2 0.481 4.440 3.960 -0.001 0.000 0.332 3410 G HA3 0.481 4.440 3.960 -0.001 0.000 0.332 3410 G C -1.247 173.681 174.900 0.046 0.000 1.176 3410 G CA -0.459 44.667 45.100 0.044 0.000 0.949 3410 G HN 0.520 nan 8.290 nan 0.000 0.488 3411 D N -0.176 120.248 120.400 0.040 0.000 2.248 3411 D HA 0.620 5.260 4.640 -0.001 0.000 0.246 3411 D C -0.285 176.035 176.300 0.033 0.000 1.027 3411 D CA 0.042 54.063 54.000 0.034 0.000 0.853 3411 D CB 2.137 42.952 40.800 0.026 0.000 1.243 3411 D HN 0.580 nan 8.370 nan 0.000 0.462 3412 A N 0.428 123.269 122.820 0.035 0.000 2.486 3412 A HA 0.629 4.948 4.320 -0.001 0.000 0.300 3412 A C 0.928 178.528 177.584 0.026 0.000 1.048 3412 A CA -0.420 51.638 52.037 0.035 0.000 0.696 3412 A CB 1.718 20.755 19.000 0.062 0.000 1.278 3412 A HN 0.500 nan 8.150 nan 0.000 0.405 3413 G N 0.221 109.031 108.800 0.016 0.000 2.404 3413 G HA2 0.291 4.250 3.960 -0.001 0.000 0.215 3413 G HA3 0.291 4.250 3.960 -0.001 0.000 0.215 3413 G C 0.305 175.218 174.900 0.021 0.000 1.174 3413 G CA 1.681 46.786 45.100 0.009 0.000 0.780 3413 G HN 1.158 nan 8.290 nan 0.000 0.537 3414 L N -0.046 121.199 121.223 0.036 0.000 2.493 3414 L HA 0.647 4.986 4.340 -0.001 0.000 0.265 3414 L C -1.354 175.564 176.870 0.079 0.000 0.954 3414 L CA -0.806 54.061 54.840 0.046 0.000 0.844 3414 L CB 2.579 44.658 42.059 0.033 0.000 1.302 3414 L HN -0.120 nan 8.230 nan 0.000 0.405 3415 V N 4.429 124.394 119.914 0.084 0.000 2.376 3415 V HA 0.638 4.758 4.120 -0.001 0.000 0.287 3415 V C -0.537 175.621 176.094 0.106 0.000 1.015 3415 V CA -0.441 61.932 62.300 0.122 0.000 0.834 3415 V CB 1.418 33.318 31.823 0.128 0.000 1.001 3415 V HN 0.829 nan 8.190 nan 0.000 0.428 3416 E N 3.154 123.441 120.200 0.145 0.000 2.308 3416 E HA 0.388 4.738 4.350 -0.001 0.000 0.275 3416 E C -1.020 175.687 176.600 0.177 0.000 0.890 3416 E CA -0.655 55.816 56.400 0.119 0.000 0.754 3416 E CB 2.194 31.938 29.700 0.073 0.000 1.207 3416 E HN 0.751 nan 8.360 nan 0.000 0.426 3417 E N 4.328 124.602 120.200 0.123 0.000 2.152 3417 E HA 0.237 4.587 4.350 -0.001 0.000 0.285 3417 E C -0.907 175.769 176.600 0.127 0.000 1.043 3417 E CA -0.206 56.273 56.400 0.133 0.000 0.839 3417 E CB 0.678 30.425 29.700 0.078 0.000 1.069 3417 E HN 0.351 nan 8.360 nan 0.000 0.399 3418 R N 3.702 124.321 120.500 0.199 0.000 2.686 3418 R HA 0.396 4.736 4.340 -0.001 0.000 0.283 3418 R C -0.818 175.579 176.300 0.162 0.000 0.978 3418 R CA -0.908 55.281 56.100 0.148 0.000 0.897 3418 R CB 2.021 32.382 30.300 0.101 0.000 1.192 3418 R HN 0.333 nan 8.270 nan 0.000 0.457 3419 K N 2.682 123.138 120.400 0.094 0.000 2.367 3419 K HA 0.406 4.726 4.320 -0.001 0.000 0.263 3419 K C -0.885 175.758 176.600 0.072 0.000 1.000 3419 K CA -0.490 55.845 56.287 0.080 0.000 0.891 3419 K CB 1.215 33.744 32.500 0.049 0.000 1.117 3419 K HN 0.290 nan 8.250 nan 0.000 0.443 3420 I N 1.689 122.314 120.570 0.092 0.000 2.382 3420 I HA 0.083 4.253 4.170 -0.001 0.000 0.286 3420 I C 0.573 176.723 176.117 0.054 0.000 1.002 3420 I CA -0.054 61.292 61.300 0.076 0.000 1.135 3420 I CB 1.907 39.978 38.000 0.118 0.000 1.288 3420 I HN 0.666 nan 8.210 nan 0.000 0.448 3421 S N 4.432 120.154 115.700 0.036 0.000 3.672 3421 S HA -0.181 4.289 4.470 -0.001 0.000 0.319 3421 S C 1.263 175.876 174.600 0.022 0.000 1.151 3421 S CA 1.370 59.585 58.200 0.025 0.000 0.911 3421 S CB -1.248 61.966 63.200 0.023 0.000 0.939 3421 S HN 1.697 nan 8.310 nan 0.000 0.524 3422 G N -0.019 108.795 108.800 0.024 0.000 2.383 3422 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.229 3422 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.229 3422 G C -0.294 174.621 174.900 0.026 0.000 1.089 3422 G CA 0.290 45.403 45.100 0.021 0.000 0.640 3422 G HN 0.688 nan 8.290 nan 0.000 0.510 3423 D N 1.269 121.686 120.400 0.029 0.000 2.345 3423 D HA 0.471 5.110 4.640 -0.001 0.000 0.247 3423 D C 0.447 176.774 176.300 0.045 0.000 1.108 3423 D CA 0.646 54.664 54.000 0.029 0.000 0.894 3423 D CB 1.573 42.386 40.800 0.021 0.000 1.203 3423 D HN 0.259 nan 8.370 nan 0.000 0.430 3424 S N 2.050 117.774 115.700 0.041 0.000 2.523 3424 S HA 0.481 4.951 4.470 -0.001 0.000 0.275 3424 S C -0.131 174.499 174.600 0.050 0.000 1.281 3424 S CA -0.728 57.505 58.200 0.056 0.000 1.050 3424 S CB 0.047 63.274 63.200 0.046 0.000 0.937 3424 S HN 0.406 nan 8.310 nan 0.000 0.492 3425 M N 4.536 124.183 119.600 0.078 0.000 2.421 3425 M HA 0.524 5.004 4.480 -0.001 0.000 0.287 3425 M C -1.867 174.471 176.300 0.064 0.000 1.183 3425 M CA -0.643 54.665 55.300 0.013 0.000 0.916 3425 M CB 1.087 33.639 32.600 -0.079 0.000 1.701 3425 M HN 0.419 nan 8.290 nan 0.000 0.470 3426 I N 2.917 123.491 120.570 0.006 0.000 2.336 3426 I HA 0.422 4.591 4.170 -0.001 0.000 0.292 3426 I C -1.170 174.927 176.117 -0.033 0.000 0.991 3426 I CA -0.392 60.973 61.300 0.110 0.000 1.227 3426 I CB 1.115 39.235 38.000 0.199 0.000 1.366 3426 I HN 0.503 nan 8.210 nan 0.000 0.466 3427 F N 5.826 125.813 119.950 0.063 0.000 2.391 3427 F HA 0.352 4.879 4.527 -0.001 0.000 0.359 3427 F C 0.136 175.970 175.800 0.056 0.000 1.122 3427 F CA -0.649 57.377 58.000 0.042 0.000 1.120 3427 F CB 1.292 40.308 39.000 0.027 0.000 1.142 3427 F HN 0.030 nan 8.300 nan 0.000 0.483 3428 V N 4.380 124.385 119.914 0.152 0.000 2.293 3428 V HA 0.352 4.472 4.120 -0.001 0.000 0.275 3428 V C -0.307 175.845 176.094 0.098 0.000 1.021 3428 V CA -0.559 61.812 62.300 0.118 0.000 0.815 3428 V CB 0.486 32.349 31.823 0.066 0.000 1.025 3428 V HN 0.824 nan 8.190 nan 0.000 0.448 3429 E N 3.046 123.309 120.200 0.107 0.000 2.433 3429 E HA 0.644 4.994 4.350 -0.001 0.000 0.273 3429 E C -0.692 175.937 176.600 0.048 0.000 0.950 3429 E CA -0.872 55.578 56.400 0.083 0.000 0.796 3429 E CB 1.618 31.384 29.700 0.110 0.000 1.330 3429 E HN 0.193 nan 8.360 nan 0.000 0.455 3430 E N -0.955 119.262 120.200 0.028 0.000 2.513 3430 E HA -0.161 4.189 4.350 -0.001 0.000 0.257 3430 E C -0.490 176.104 176.600 -0.010 0.000 1.098 3430 E CA 0.677 57.080 56.400 0.005 0.000 0.752 3430 E CB -2.478 27.224 29.700 0.004 0.000 1.324 3430 E HN 0.593 nan 8.360 nan 0.000 0.403 3431 C N 0.469 119.765 119.300 -0.007 0.000 2.705 3431 C HA 0.071 4.531 4.460 -0.001 0.000 0.382 3431 C C 2.362 177.308 174.990 -0.073 0.000 1.322 3431 C CA -0.066 58.941 59.018 -0.018 0.000 2.290 3431 C CB 0.423 28.164 27.740 0.002 0.000 2.650 3431 C HN 0.408 nan 8.230 nan 0.000 0.695 3432 K N 0.301 120.639 120.400 -0.102 0.000 1.969 3432 K HA -0.106 4.214 4.320 -0.001 0.000 0.216 3432 K C 0.416 176.717 176.600 -0.497 0.000 1.048 3432 K CA 1.468 57.590 56.287 -0.275 0.000 0.948 3432 K CB -0.113 32.276 32.500 -0.184 0.000 0.726 3432 K HN 0.670 nan 8.250 nan 0.000 0.442 3433 H N 0.247 119.323 119.070 0.010 0.000 2.448 3433 H HA 0.225 4.781 4.556 -0.001 0.000 0.237 3433 H C -2.506 172.826 175.328 0.006 0.000 1.391 3433 H CA -2.013 54.039 56.048 0.007 0.000 1.477 3433 H CB 0.614 30.379 29.762 0.006 0.000 1.520 3433 H HN 0.189 nan 8.280 nan 0.000 0.502 3434 P HA 0.069 nan 4.420 nan 0.000 0.271 3434 P C 0.682 178.010 177.300 0.047 0.000 1.226 3434 P CA -0.405 62.721 63.100 0.045 0.000 0.765 3434 P CB 1.674 33.388 31.700 0.023 0.000 0.835 3435 K N 0.937 121.357 120.400 0.034 0.000 2.358 3435 K HA 0.375 4.695 4.320 -0.001 0.000 0.197 3435 K C 0.598 177.204 176.600 0.010 0.000 1.025 3435 K CA 0.004 56.305 56.287 0.023 0.000 1.104 3435 K CB 0.739 33.251 32.500 0.019 0.000 0.855 3435 K HN 0.551 nan 8.250 nan 0.000 0.531 3436 A N 0.898 123.721 122.820 0.005 0.000 2.486 3436 A HA 0.620 4.940 4.320 -0.001 0.000 0.300 3436 A C -0.559 177.022 177.584 -0.005 0.000 1.048 3436 A CA -0.714 51.319 52.037 -0.006 0.000 0.696 3436 A CB 1.516 20.504 19.000 -0.019 0.000 1.278 3436 A HN -0.063 nan 8.150 nan 0.000 0.405 3437 V N -1.216 118.694 119.914 -0.006 0.000 3.102 3437 V HA 0.979 5.099 4.120 -0.001 0.000 0.312 3437 V C -0.433 175.654 176.094 -0.011 0.000 1.135 3437 V CA -0.622 61.677 62.300 -0.002 0.000 1.022 3437 V CB 1.639 33.467 31.823 0.008 0.000 1.056 3437 V HN 0.900 nan 8.190 nan 0.000 0.436 3438 T N 3.331 117.882 114.554 -0.005 0.000 2.861 3438 T HA 0.580 4.930 4.350 -0.001 0.000 0.287 3438 T C -0.631 174.072 174.700 0.006 0.000 1.003 3438 T CA -0.259 61.830 62.100 -0.017 0.000 0.977 3438 T CB 1.515 70.353 68.868 -0.051 0.000 0.996 3438 T HN 0.982 nan 8.240 nan 0.000 0.448 3439 M N 4.257 123.857 119.600 0.001 0.000 2.066 3439 M HA 0.540 5.020 4.480 -0.001 0.000 0.340 3439 M C -1.502 174.807 176.300 0.014 0.000 1.053 3439 M CA -1.103 54.206 55.300 0.015 0.000 0.983 3439 M CB 0.572 33.178 32.600 0.010 0.000 1.520 3439 M HN 0.476 nan 8.290 nan 0.000 0.428 3440 L N 7.577 128.823 121.223 0.039 0.000 2.255 3440 L HA 0.524 4.864 4.340 -0.001 0.000 0.289 3440 L C -1.231 175.664 176.870 0.041 0.000 1.046 3440 L CA 0.064 54.932 54.840 0.047 0.000 0.816 3440 L CB 0.513 42.638 42.059 0.110 0.000 1.197 3440 L HN 0.673 nan 8.230 nan 0.000 0.427 3441 I N 5.884 126.469 120.570 0.025 0.000 2.331 3441 I HA 0.437 4.607 4.170 -0.001 0.000 0.292 3441 I C 0.136 176.267 176.117 0.022 0.000 0.998 3441 I CA -0.585 60.727 61.300 0.021 0.000 1.267 3441 I CB 0.580 38.588 38.000 0.013 0.000 1.386 3441 I HN 0.526 nan 8.210 nan 0.000 0.476 3442 R N 4.124 124.638 120.500 0.023 0.000 2.873 3442 R HA 0.899 5.239 4.340 -0.001 0.000 0.264 3442 R C -0.272 176.038 176.300 0.017 0.000 1.026 3442 R CA -1.041 55.072 56.100 0.021 0.000 1.002 3442 R CB 1.944 32.259 30.300 0.025 0.000 1.174 3442 R HN 0.864 nan 8.270 nan 0.000 0.488 3443 G N -1.033 107.776 108.800 0.015 0.000 2.340 3443 G HA2 -0.002 3.958 3.960 -0.001 0.000 0.298 3443 G HA3 -0.002 3.958 3.960 -0.001 0.000 0.298 3443 G C -0.074 174.834 174.900 0.013 0.000 1.498 3443 G CA -0.250 44.859 45.100 0.014 0.000 0.847 3443 G HN 0.377 nan 8.290 nan 0.000 0.594 3444 T N -0.551 114.012 114.554 0.015 0.000 3.035 3444 T HA 0.315 4.665 4.350 -0.001 0.000 0.268 3444 T C 0.776 175.485 174.700 0.014 0.000 1.109 3444 T CA 2.113 64.221 62.100 0.014 0.000 1.119 3444 T CB -0.236 68.642 68.868 0.016 0.000 0.900 3444 T HN 0.699 nan 8.240 nan 0.000 0.503 3445 T N 0.193 114.757 114.554 0.016 0.000 2.894 3445 T HA 0.298 4.647 4.350 -0.001 0.000 0.309 3445 T C 0.284 174.980 174.700 -0.007 0.000 1.208 3445 T CA -0.682 61.426 62.100 0.013 0.000 1.016 3445 T CB 2.160 71.054 68.868 0.043 0.000 1.192 3445 T HN -0.078 nan 8.240 nan 0.000 0.491 3446 E N 0.707 120.871 120.200 -0.061 0.000 2.085 3446 E HA -0.194 4.155 4.350 -0.001 0.000 0.194 3446 E C 1.565 178.083 176.600 -0.137 0.000 0.994 3446 E CA 1.836 58.157 56.400 -0.133 0.000 0.801 3446 E CB -0.059 29.500 29.700 -0.234 0.000 0.743 3446 E HN 0.608 nan 8.360 nan 0.000 0.453 3447 H N -0.886 118.187 119.070 0.005 0.000 2.495 3447 H HA 0.019 4.575 4.556 -0.001 0.000 0.287 3447 H C 2.034 177.365 175.328 0.005 0.000 1.033 3447 H CA 1.145 57.196 56.048 0.004 0.000 1.307 3447 H CB 0.114 29.878 29.762 0.004 0.000 1.401 3447 H HN 0.113 nan 8.280 nan 0.000 0.555 3448 V N 1.968 121.947 119.914 0.108 0.000 2.283 3448 V HA -0.201 3.919 4.120 -0.001 0.000 0.243 3448 V C 2.656 178.775 176.094 0.043 0.000 1.039 3448 V CA 1.670 64.009 62.300 0.065 0.000 1.016 3448 V CB -0.519 31.331 31.823 0.046 0.000 0.650 3448 V HN 0.401 nan 8.190 nan 0.000 0.449 3449 I N -1.077 119.509 120.570 0.026 0.000 2.756 3449 I HA -0.150 4.020 4.170 -0.001 0.000 0.262 3449 I C 2.240 178.365 176.117 0.015 0.000 1.225 3449 I CA 1.859 63.168 61.300 0.015 0.000 1.472 3449 I CB -0.499 37.503 38.000 0.003 0.000 1.094 3449 I HN 0.422 nan 8.210 nan 0.000 0.454 3450 E N 1.798 122.011 120.200 0.022 0.000 2.046 3450 E HA -0.272 4.078 4.350 -0.001 0.000 0.190 3450 E C 2.232 178.858 176.600 0.042 0.000 0.982 3450 E CA 1.062 57.482 56.400 0.033 0.000 0.800 3450 E CB -0.144 29.593 29.700 0.061 0.000 0.756 3450 E HN 0.542 nan 8.360 nan 0.000 0.449 3451 E N 0.596 120.828 120.200 0.054 0.000 2.153 3451 E HA -0.148 4.202 4.350 -0.001 0.000 0.194 3451 E C 2.093 178.711 176.600 0.029 0.000 0.988 3451 E CA 1.037 57.462 56.400 0.041 0.000 0.811 3451 E CB 0.102 29.828 29.700 0.043 0.000 0.746 3451 E HN 0.215 nan 8.360 nan 0.000 0.466 3452 V N 1.377 121.307 119.914 0.027 0.000 2.358 3452 V HA -0.212 3.907 4.120 -0.001 0.000 0.246 3452 V C 2.667 178.771 176.094 0.017 0.000 1.047 3452 V CA 1.631 63.944 62.300 0.021 0.000 1.035 3452 V CB -0.929 30.906 31.823 0.020 0.000 0.658 3452 V HN 0.359 nan 8.190 nan 0.000 0.452 3453 A N 0.506 123.336 122.820 0.015 0.000 1.908 3453 A HA -0.302 4.017 4.320 -0.001 0.000 0.218 3453 A C 2.310 179.900 177.584 0.011 0.000 1.181 3453 A CA 2.435 54.478 52.037 0.010 0.000 0.627 3453 A CB -0.553 18.452 19.000 0.007 0.000 0.818 3453 A HN 0.469 nan 8.150 nan 0.000 0.445 3454 R N 0.035 120.544 120.500 0.014 0.000 2.075 3454 R HA 0.011 4.351 4.340 -0.001 0.000 0.232 3454 R C 2.174 178.481 176.300 0.012 0.000 1.126 3454 R CA 1.884 57.991 56.100 0.013 0.000 0.963 3454 R CB -0.892 29.417 30.300 0.016 0.000 0.858 3454 R HN 0.393 nan 8.270 nan 0.000 0.435 3455 A N 0.133 122.962 122.820 0.015 0.000 1.883 3455 A HA -0.140 4.180 4.320 -0.001 0.000 0.217 3455 A C 2.224 179.816 177.584 0.013 0.000 1.186 3455 A CA 2.072 54.118 52.037 0.016 0.000 0.624 3455 A CB -0.967 18.044 19.000 0.019 0.000 0.822 3455 A HN 0.329 nan 8.150 nan 0.000 0.444 3456 V N -2.438 117.483 119.914 0.012 0.000 2.871 3456 V HA -0.117 4.002 4.120 -0.001 0.000 0.256 3456 V C 1.913 178.012 176.094 0.007 0.000 1.082 3456 V CA 2.015 64.321 62.300 0.010 0.000 1.105 3456 V CB -0.661 31.168 31.823 0.009 0.000 0.713 3456 V HN 0.549 nan 8.190 nan 0.000 0.473 3457 D N 1.521 121.925 120.400 0.007 0.000 2.104 3457 D HA -0.263 4.377 4.640 -0.001 0.000 0.194 3457 D C 1.625 177.928 176.300 0.005 0.000 0.994 3457 D CA 2.300 56.303 54.000 0.004 0.000 0.830 3457 D CB -0.069 40.733 40.800 0.004 0.000 0.959 3457 D HN 0.601 nan 8.370 nan 0.000 0.452 3458 D N 0.111 120.515 120.400 0.007 0.000 2.144 3458 D HA -0.061 4.578 4.640 -0.001 0.000 0.200 3458 D C 2.039 178.343 176.300 0.007 0.000 0.978 3458 D CA 1.371 55.375 54.000 0.007 0.000 0.833 3458 D CB -0.263 40.542 40.800 0.008 0.000 0.961 3458 D HN 0.255 nan 8.370 nan 0.000 0.470 3459 A N 0.384 123.209 122.820 0.008 0.000 1.908 3459 A HA -0.166 4.154 4.320 -0.001 0.000 0.218 3459 A C 2.365 179.953 177.584 0.006 0.000 1.181 3459 A CA 1.181 53.223 52.037 0.008 0.000 0.627 3459 A CB -0.839 18.166 19.000 0.009 0.000 0.818 3459 A HN 0.152 nan 8.150 nan 0.000 0.445 3460 V N -0.114 119.803 119.914 0.005 0.000 2.295 3460 V HA -0.197 3.923 4.120 -0.001 0.000 0.246 3460 V C 2.830 178.926 176.094 0.004 0.000 1.049 3460 V CA 2.011 64.313 62.300 0.004 0.000 1.024 3460 V CB -1.494 30.331 31.823 0.003 0.000 0.648 3460 V HN 0.618 nan 8.190 nan 0.000 0.447 3461 G N 0.458 109.260 108.800 0.004 0.000 2.446 3461 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.217 3461 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.217 3461 G C 1.724 176.626 174.900 0.004 0.000 1.168 3461 G CA 1.664 46.766 45.100 0.003 0.000 0.771 3461 G HN 0.594 nan 8.290 nan 0.000 0.551 3462 V N -1.440 118.477 119.914 0.005 0.000 2.591 3462 V HA -0.010 4.110 4.120 -0.001 0.000 0.249 3462 V C 2.653 178.750 176.094 0.005 0.000 1.053 3462 V CA 1.369 63.672 62.300 0.005 0.000 1.068 3462 V CB -0.486 31.341 31.823 0.007 0.000 0.689 3462 V HN 0.132 nan 8.190 nan 0.000 0.462 3463 V N 1.990 121.907 119.914 0.005 0.000 2.453 3463 V HA -0.024 4.095 4.120 -0.001 0.000 0.247 3463 V C 2.904 179.001 176.094 0.004 0.000 1.048 3463 V CA 2.138 64.441 62.300 0.005 0.000 1.049 3463 V CB -1.298 30.528 31.823 0.005 0.000 0.672 3463 V HN 0.625 nan 8.190 nan 0.000 0.457 3464 G N -1.116 107.686 108.800 0.004 0.000 2.422 3464 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.218 3464 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.218 3464 G C 1.722 176.624 174.900 0.003 0.000 1.146 3464 G CA 1.292 46.394 45.100 0.003 0.000 0.769 3464 G HN 0.536 nan 8.290 nan 0.000 0.547 3465 C N 0.541 119.843 119.300 0.003 0.000 2.429 3465 C HA -0.024 4.435 4.460 -0.001 0.000 0.277 3465 C C 3.208 178.200 174.990 0.004 0.000 1.262 3465 C CA 1.506 60.526 59.018 0.003 0.000 1.733 3465 C CB -1.038 26.705 27.740 0.004 0.000 2.010 3465 C HN 0.427 nan 8.230 nan 0.000 0.483 3466 T N 1.099 115.655 114.554 0.004 0.000 2.833 3466 T HA -0.043 4.307 4.350 -0.001 0.000 0.269 3466 T C 1.567 176.269 174.700 0.003 0.000 1.054 3466 T CA 1.206 63.308 62.100 0.004 0.000 1.135 3466 T CB -0.212 68.659 68.868 0.004 0.000 0.869 3466 T HN 0.514 nan 8.240 nan 0.000 0.466 3467 I N 0.461 121.032 120.570 0.003 0.000 2.480 3467 I HA -0.017 4.153 4.170 -0.001 0.000 0.251 3467 I C 2.518 178.637 176.117 0.002 0.000 1.124 3467 I CA 0.940 62.242 61.300 0.003 0.000 1.444 3467 I CB -0.211 37.790 38.000 0.003 0.000 1.098 3467 I HN 0.227 nan 8.210 nan 0.000 0.428 3468 E N 0.133 120.334 120.200 0.002 0.000 2.110 3468 E HA -0.176 4.173 4.350 -0.001 0.000 0.193 3468 E C 0.532 177.134 176.600 0.002 0.000 0.988 3468 E CA 0.829 57.230 56.400 0.002 0.000 0.804 3468 E CB 0.165 29.866 29.700 0.002 0.000 0.745 3468 E HN 0.257 nan 8.360 nan 0.000 0.458 3469 D N -1.045 119.356 120.400 0.002 0.000 2.620 3469 D HA 0.126 4.765 4.640 -0.001 0.000 0.252 3469 D C -0.194 176.107 176.300 0.003 0.000 1.207 3469 D CA -0.363 53.639 54.000 0.002 0.000 0.884 3469 D CB 1.596 42.397 40.800 0.002 0.000 1.262 3469 D HN 0.056 nan 8.370 nan 0.000 0.552 3470 G N 3.398 112.199 108.800 0.002 0.000 3.340 3470 G HA2 0.084 4.044 3.960 -0.001 0.000 0.240 3470 G HA3 0.084 4.044 3.960 -0.001 0.000 0.240 3470 G C 0.406 175.307 174.900 0.003 0.000 1.327 3470 G CA -0.140 44.962 45.100 0.003 0.000 1.170 3470 G HN 0.293 nan 8.290 nan 0.000 0.520 3471 R N -0.460 120.042 120.500 0.004 0.000 2.621 3471 R HA 0.621 4.961 4.340 -0.001 0.000 0.292 3471 R C -0.761 175.543 176.300 0.006 0.000 0.969 3471 R CA -0.789 55.314 56.100 0.005 0.000 0.887 3471 R CB 2.044 32.346 30.300 0.005 0.000 1.180 3471 R HN 0.265 nan 8.270 nan 0.000 0.450 3472 I N -1.052 119.523 120.570 0.007 0.000 3.002 3472 I HA 0.775 4.944 4.170 -0.001 0.000 0.310 3472 I C -0.538 175.587 176.117 0.012 0.000 1.087 3472 I CA -1.188 60.118 61.300 0.009 0.000 1.017 3472 I CB 2.084 40.089 38.000 0.009 0.000 1.226 3472 I HN 0.359 nan 8.210 nan 0.000 0.443 3473 V N -0.140 119.783 119.914 0.015 0.000 2.962 3473 V HA 0.820 4.940 4.120 -0.001 0.000 0.313 3473 V C 0.059 176.168 176.094 0.024 0.000 1.099 3473 V CA -0.467 61.846 62.300 0.021 0.000 0.971 3473 V CB 1.125 32.960 31.823 0.020 0.000 1.028 3473 V HN 1.139 nan 8.190 nan 0.000 0.430 3474 S N 2.184 117.904 115.700 0.033 0.000 2.562 3474 S HA 0.650 5.119 4.470 -0.001 0.000 0.281 3474 S C 0.589 175.209 174.600 0.033 0.000 1.333 3474 S CA 0.160 58.383 58.200 0.037 0.000 1.052 3474 S CB 0.867 64.099 63.200 0.052 0.000 0.884 3474 S HN 1.772 nan 8.310 nan 0.000 0.506 3475 G N 0.576 109.395 108.800 0.032 0.000 2.630 3475 G HA2 0.532 4.492 3.960 -0.001 0.000 0.223 3475 G HA3 0.532 4.492 3.960 -0.001 0.000 0.223 3475 G C 0.931 175.847 174.900 0.027 0.000 1.434 3475 G CA -0.541 44.575 45.100 0.027 0.000 1.057 3475 G HN 2.040 nan 8.290 nan 0.000 0.570 3476 G N -1.915 106.901 108.800 0.026 0.000 2.225 3476 G HA2 0.232 4.191 3.960 -0.001 0.000 0.267 3476 G HA3 0.232 4.191 3.960 -0.001 0.000 0.267 3476 G C 1.478 176.374 174.900 -0.006 0.000 1.024 3476 G CA 1.214 46.327 45.100 0.020 0.000 0.784 3476 G HN 2.457 nan 8.290 nan 0.000 0.507 3477 G N -1.402 107.385 108.800 -0.021 0.000 2.162 3477 G HA2 -0.140 3.820 3.960 -0.001 0.000 0.260 3477 G HA3 -0.140 3.820 3.960 -0.001 0.000 0.260 3477 G C 1.509 176.357 174.900 -0.086 0.000 0.976 3477 G CA 1.692 46.760 45.100 -0.053 0.000 0.655 3477 G HN 1.956 nan 8.290 nan 0.000 0.533 3478 S N 0.119 115.787 115.700 -0.053 0.000 2.370 3478 S HA -0.184 4.286 4.470 -0.001 0.000 0.226 3478 S C 2.801 177.316 174.600 -0.142 0.000 1.033 3478 S CA 2.847 61.001 58.200 -0.076 0.000 1.011 3478 S CB -0.592 62.660 63.200 0.086 0.000 0.852 3478 S HN 1.399 nan 8.310 nan 0.000 0.457 3479 T N 0.025 114.546 114.554 -0.054 0.000 2.614 3479 T HA -0.096 4.254 4.350 -0.001 0.000 0.263 3479 T C 1.568 176.215 174.700 -0.089 0.000 1.055 3479 T CA 1.625 63.700 62.100 -0.041 0.000 1.162 3479 T CB -1.064 67.794 68.868 -0.017 0.000 0.863 3479 T HN 0.417 nan 8.240 nan 0.000 0.414 3480 E N 0.935 121.080 120.200 -0.092 0.000 2.187 3480 E HA -0.076 4.274 4.350 -0.001 0.000 0.199 3480 E C 2.240 178.759 176.600 -0.135 0.000 1.004 3480 E CA 0.967 57.306 56.400 -0.102 0.000 0.813 3480 E CB -0.703 28.937 29.700 -0.099 0.000 0.736 3480 E HN 0.436 nan 8.360 nan 0.000 0.468 3481 V N 0.436 120.216 119.914 -0.223 0.000 2.453 3481 V HA -0.200 3.919 4.120 -0.001 0.000 0.247 3481 V C 2.262 178.170 176.094 -0.311 0.000 1.048 3481 V CA 1.760 63.877 62.300 -0.304 0.000 1.049 3481 V CB -0.365 31.175 31.823 -0.470 0.000 0.672 3481 V HN 0.217 nan 8.190 nan 0.000 0.457 3482 E N 0.783 120.771 120.200 -0.354 0.000 2.077 3482 E HA -0.196 4.154 4.350 -0.001 0.000 0.193 3482 E C 2.017 178.628 176.600 0.019 0.000 0.989 3482 E CA 1.572 57.972 56.400 0.000 0.000 0.800 3482 E CB -0.419 29.366 29.700 0.141 0.000 0.746 3482 E HN 0.553 nan 8.360 nan 0.000 0.452 3483 L N -0.010 121.202 121.223 -0.017 0.000 2.046 3483 L HA -0.145 4.194 4.340 -0.001 0.000 0.208 3483 L C 2.665 179.554 176.870 0.031 0.000 1.077 3483 L CA 1.354 56.203 54.840 0.015 0.000 0.747 3483 L CB -0.669 41.394 42.059 0.007 0.000 0.896 3483 L HN 0.195 nan 8.230 nan 0.000 0.432 3484 S N -0.315 115.382 115.700 -0.006 0.000 2.356 3484 S HA -0.200 4.270 4.470 -0.001 0.000 0.223 3484 S C 2.126 176.749 174.600 0.038 0.000 1.032 3484 S CA 1.256 59.462 58.200 0.008 0.000 1.005 3484 S CB -0.016 63.167 63.200 -0.027 0.000 0.867 3484 S HN 0.211 nan 8.310 nan 0.000 0.449 3485 M N 0.890 120.512 119.600 0.037 0.000 2.117 3485 M HA 0.032 4.512 4.480 -0.001 0.000 0.262 3485 M C 1.997 178.343 176.300 0.076 0.000 1.065 3485 M CA 1.467 56.805 55.300 0.064 0.000 1.114 3485 M CB -0.997 31.661 32.600 0.096 0.000 1.361 3485 M HN 0.239 nan 8.290 nan 0.000 0.408 3486 K N -0.008 120.439 120.400 0.079 0.000 2.211 3486 K HA 0.194 4.513 4.320 -0.001 0.000 0.201 3486 K C 2.066 178.737 176.600 0.117 0.000 1.052 3486 K CA 0.568 56.906 56.287 0.085 0.000 0.973 3486 K CB -0.225 32.313 32.500 0.064 0.000 0.766 3486 K HN 0.352 nan 8.250 nan 0.000 0.466 3487 L N 0.348 121.643 121.223 0.120 0.000 2.240 3487 L HA -0.011 4.329 4.340 -0.001 0.000 0.211 3487 L C 2.299 179.294 176.870 0.208 0.000 1.106 3487 L CA 0.749 55.703 54.840 0.189 0.000 0.793 3487 L CB -0.195 41.979 42.059 0.192 0.000 0.927 3487 L HN 0.076 nan 8.230 nan 0.000 0.446 3488 R N 0.038 120.622 120.500 0.140 0.000 2.148 3488 R HA -0.116 4.224 4.340 -0.001 0.000 0.223 3488 R C 1.977 178.334 176.300 0.095 0.000 1.088 3488 R CA 0.980 57.144 56.100 0.107 0.000 0.985 3488 R CB -0.052 30.293 30.300 0.075 0.000 0.880 3488 R HN 0.446 nan 8.270 nan 0.000 0.451 3489 E N -0.497 119.768 120.200 0.109 0.000 2.112 3489 E HA -0.172 4.178 4.350 -0.001 0.000 0.190 3489 E C 1.438 178.107 176.600 0.116 0.000 0.979 3489 E CA 0.677 57.133 56.400 0.094 0.000 0.814 3489 E CB -0.052 29.701 29.700 0.090 0.000 0.762 3489 E HN 0.280 nan 8.360 nan 0.000 0.460 3490 Y N 1.593 121.909 120.300 0.027 0.000 2.224 3490 Y HA -0.208 4.342 4.550 -0.001 0.000 0.289 3490 Y C 2.180 178.091 175.900 0.019 0.000 1.146 3490 Y CA 1.256 59.368 58.100 0.019 0.000 1.182 3490 Y CB -0.383 38.088 38.460 0.017 0.000 0.983 3490 Y HN -0.012 nan 8.280 nan 0.000 0.524 3491 A N 0.241 123.065 122.820 0.006 0.000 1.940 3491 A HA -0.181 4.139 4.320 -0.001 0.000 0.219 3491 A C 2.119 179.649 177.584 -0.090 0.000 1.176 3491 A CA 1.860 53.864 52.037 -0.055 0.000 0.631 3491 A CB -0.533 18.496 19.000 0.047 0.000 0.814 3491 A HN 0.523 nan 8.150 nan 0.000 0.446 3492 E N -0.497 119.673 120.200 -0.051 0.000 2.072 3492 E HA -0.128 4.222 4.350 -0.001 0.000 0.191 3492 E C 2.186 178.740 176.600 -0.077 0.000 0.985 3492 E CA 1.172 57.546 56.400 -0.043 0.000 0.801 3492 E CB -0.696 28.998 29.700 -0.010 0.000 0.750 3492 E HN 0.590 nan 8.360 nan 0.000 0.452 3493 G N 1.301 110.031 108.800 -0.117 0.000 2.422 3493 G HA2 -0.169 3.791 3.960 -0.001 0.000 0.218 3493 G HA3 -0.169 3.791 3.960 -0.001 0.000 0.218 3493 G C 1.584 176.375 174.900 -0.182 0.000 1.140 3493 G CA 0.250 45.269 45.100 -0.135 0.000 0.775 3493 G HN 0.110 nan 8.290 nan 0.000 0.545 3494 I N 0.211 120.618 120.570 -0.270 0.000 2.233 3494 I HA 0.025 4.194 4.170 -0.001 0.000 0.243 3494 I C 1.678 177.718 176.117 -0.129 0.000 1.093 3494 I CA 1.028 62.182 61.300 -0.243 0.000 1.380 3494 I CB -1.118 36.695 38.000 -0.311 0.000 1.067 3494 I HN 0.301 nan 8.210 nan 0.000 0.413 3495 S N -1.115 114.524 115.700 -0.101 0.000 3.513 3495 S HA -0.107 4.363 4.470 -0.001 0.000 0.636 3495 S C 0.750 175.323 174.600 -0.046 0.000 2.452 3495 S CA 1.349 59.514 58.200 -0.059 0.000 2.644 3495 S CB -1.365 61.805 63.200 -0.050 0.000 0.331 3495 S HN 1.421 nan 8.310 nan 0.000 1.787 3496 G N 1.121 109.902 108.800 -0.031 0.000 2.578 3496 G HA2 -0.326 3.634 3.960 -0.001 0.000 0.275 3496 G HA3 -0.326 3.634 3.960 -0.001 0.000 0.275 3496 G C 0.341 175.233 174.900 -0.014 0.000 1.271 3496 G CA 1.639 46.726 45.100 -0.022 0.000 0.941 3496 G HN 1.880 nan 8.290 nan 0.000 0.564 3497 R N 0.401 120.896 120.500 -0.009 0.000 2.236 3497 R HA 0.228 4.568 4.340 -0.001 0.000 0.208 3497 R C 2.003 178.302 176.300 -0.001 0.000 1.036 3497 R CA 1.646 57.746 56.100 0.000 0.000 1.001 3497 R CB -0.201 30.102 30.300 0.006 0.000 0.896 3497 R HN 0.664 nan 8.270 nan 0.000 0.464 3498 E N 1.567 121.759 120.200 -0.013 0.000 2.204 3498 E HA -0.219 4.130 4.350 -0.001 0.000 0.194 3498 E C 1.808 178.403 176.600 -0.008 0.000 0.989 3498 E CA 1.432 57.822 56.400 -0.017 0.000 0.824 3498 E CB 0.064 29.742 29.700 -0.037 0.000 0.756 3498 E HN 0.596 nan 8.360 nan 0.000 0.477 3499 Q N 0.681 120.471 119.800 -0.017 0.000 2.230 3499 Q HA -0.134 4.205 4.340 -0.001 0.000 0.202 3499 Q C 1.984 178.007 176.000 0.038 0.000 0.963 3499 Q CA 0.948 56.745 55.803 -0.009 0.000 0.866 3499 Q CB -0.305 28.419 28.738 -0.024 0.000 0.931 3499 Q HN 0.207 nan 8.270 nan 0.000 0.452 3500 L N 0.346 121.594 121.223 0.041 0.000 2.109 3500 L HA 0.179 4.519 4.340 -0.001 0.000 0.207 3500 L C 2.245 179.183 176.870 0.114 0.000 1.086 3500 L CA 1.795 56.673 54.840 0.065 0.000 0.760 3500 L CB -0.986 41.100 42.059 0.045 0.000 0.910 3500 L HN 0.301 nan 8.230 nan 0.000 0.437 3501 A N -1.151 121.733 122.820 0.107 0.000 1.898 3501 A HA -0.126 4.194 4.320 -0.001 0.000 0.216 3501 A C 2.232 180.025 177.584 0.349 0.000 1.181 3501 A CA 1.943 54.086 52.037 0.177 0.000 0.620 3501 A CB -1.003 18.013 19.000 0.027 0.000 0.819 3501 A HN 0.266 nan 8.150 nan 0.000 0.442 3502 V N -0.178 119.873 119.914 0.228 0.000 2.427 3502 V HA -0.207 3.913 4.120 -0.001 0.000 0.248 3502 V C 2.618 178.871 176.094 0.265 0.000 1.051 3502 V CA 2.150 64.603 62.300 0.254 0.000 1.048 3502 V CB -0.775 31.157 31.823 0.181 0.000 0.666 3502 V HN 0.620 nan 8.190 nan 0.000 0.456 3503 R N 0.083 120.694 120.500 0.184 0.000 2.096 3503 R HA -0.128 4.211 4.340 -0.001 0.000 0.235 3503 R C 2.258 178.644 176.300 0.144 0.000 1.127 3503 R CA 1.545 57.730 56.100 0.142 0.000 0.968 3503 R CB -0.345 30.011 30.300 0.093 0.000 0.861 3503 R HN 0.503 nan 8.270 nan 0.000 0.440 3504 A N 0.032 122.962 122.820 0.183 0.000 1.929 3504 A HA -0.142 4.178 4.320 -0.001 0.000 0.216 3504 A C 1.895 179.549 177.584 0.117 0.000 1.176 3504 A CA 0.821 52.956 52.037 0.163 0.000 0.628 3504 A CB -0.634 18.504 19.000 0.231 0.000 0.816 3504 A HN 0.479 nan 8.150 nan 0.000 0.444 3505 F N 1.151 121.114 119.950 0.023 0.000 2.095 3505 F HA -0.151 4.375 4.527 -0.001 0.000 0.298 3505 F C 2.528 178.259 175.800 -0.115 0.000 1.104 3505 F CA 1.489 59.373 58.000 -0.195 0.000 1.232 3505 F CB -0.362 38.572 39.000 -0.109 0.000 0.987 3505 F HN 0.249 nan 8.300 nan 0.000 0.475 3506 A N -0.436 122.469 122.820 0.142 0.000 1.902 3506 A HA -0.241 4.078 4.320 -0.001 0.000 0.217 3506 A C 1.982 179.533 177.584 -0.056 0.000 1.181 3506 A CA 1.952 54.017 52.037 0.046 0.000 0.623 3506 A CB -1.175 17.896 19.000 0.118 0.000 0.818 3506 A HN 0.498 nan 8.150 nan 0.000 0.443 3507 D N 0.020 120.400 120.400 -0.032 0.000 2.123 3507 D HA -0.073 4.567 4.640 -0.001 0.000 0.196 3507 D C 2.044 178.280 176.300 -0.107 0.000 0.992 3507 D CA 1.620 55.591 54.000 -0.049 0.000 0.833 3507 D CB -0.248 40.544 40.800 -0.012 0.000 0.954 3507 D HN 0.334 nan 8.370 nan 0.000 0.455 3508 A N -0.117 122.596 122.820 -0.179 0.000 1.898 3508 A HA -0.087 4.232 4.320 -0.001 0.000 0.216 3508 A C 2.146 179.572 177.584 -0.263 0.000 1.181 3508 A CA 0.902 52.796 52.037 -0.237 0.000 0.620 3508 A CB -0.670 18.120 19.000 -0.349 0.000 0.819 3508 A HN 0.300 nan 8.150 nan 0.000 0.442 3509 L N 0.218 121.242 121.223 -0.330 0.000 2.191 3509 L HA -0.124 4.215 4.340 -0.001 0.000 0.212 3509 L C 2.140 178.911 176.870 -0.166 0.000 1.103 3509 L CA 1.723 56.398 54.840 -0.275 0.000 0.769 3509 L CB -0.799 41.086 42.059 -0.289 0.000 0.908 3509 L HN 0.482 nan 8.230 nan 0.000 0.438 3510 E N -1.374 118.745 120.200 -0.135 0.000 2.333 3510 E HA -0.179 4.170 4.350 -0.001 0.000 0.198 3510 E C 2.262 178.808 176.600 -0.090 0.000 1.007 3510 E CA 0.728 57.070 56.400 -0.098 0.000 0.845 3510 E CB -0.158 29.498 29.700 -0.074 0.000 0.766 3510 E HN 0.291 nan 8.360 nan 0.000 0.507 3511 V N 1.133 120.987 119.914 -0.101 0.000 2.720 3511 V HA -0.213 3.907 4.120 -0.001 0.000 0.256 3511 V C 1.717 177.764 176.094 -0.078 0.000 1.082 3511 V CA 1.088 63.337 62.300 -0.085 0.000 1.101 3511 V CB -0.206 31.562 31.823 -0.091 0.000 0.693 3511 V HN 0.258 nan 8.190 nan 0.000 0.479 3512 I N 0.602 121.120 120.570 -0.086 0.000 2.162 3512 I HA -0.034 4.135 4.170 -0.001 0.000 0.238 3512 I C 0.221 176.299 176.117 -0.065 0.000 1.076 3512 I CA 1.467 62.722 61.300 -0.074 0.000 1.353 3512 I CB -2.838 35.115 38.000 -0.078 0.000 1.063 3512 I HN 0.311 nan 8.210 nan 0.000 0.408 3513 P HA -0.171 nan 4.420 nan 0.000 0.216 3513 P C 1.797 179.066 177.300 -0.053 0.000 1.154 3513 P CA 1.754 64.818 63.100 -0.060 0.000 0.865 3513 P CB -0.159 31.500 31.700 -0.068 0.000 0.789 3514 R N -1.468 119.000 120.500 -0.054 0.000 2.075 3514 R HA -0.023 4.317 4.340 -0.001 0.000 0.232 3514 R C 2.032 178.303 176.300 -0.048 0.000 1.126 3514 R CA 1.717 57.788 56.100 -0.048 0.000 0.963 3514 R CB -1.003 29.268 30.300 -0.048 0.000 0.858 3514 R HN 0.199 nan 8.270 nan 0.000 0.435 3515 T N 1.080 115.603 114.554 -0.052 0.000 3.051 3515 T HA 0.132 4.481 4.350 -0.001 0.000 0.255 3515 T C 1.807 176.474 174.700 -0.055 0.000 1.085 3515 T CA 0.138 62.207 62.100 -0.052 0.000 1.109 3515 T CB 0.143 68.980 68.868 -0.052 0.000 0.921 3515 T HN 0.063 nan 8.240 nan 0.000 0.488 3516 L N 0.953 122.142 121.223 -0.057 0.000 2.043 3516 L HA -0.172 4.168 4.340 -0.001 0.000 0.212 3516 L C 2.824 179.650 176.870 -0.074 0.000 1.075 3516 L CA 1.641 56.442 54.840 -0.064 0.000 0.752 3516 L CB -0.443 41.582 42.059 -0.056 0.000 0.891 3516 L HN 0.258 nan 8.230 nan 0.000 0.432 3517 A N -1.251 121.531 122.820 -0.063 0.000 2.030 3517 A HA -0.120 4.200 4.320 -0.001 0.000 0.215 3517 A C 2.186 179.735 177.584 -0.058 0.000 1.164 3517 A CA 0.706 52.705 52.037 -0.063 0.000 0.697 3517 A CB -0.261 18.709 19.000 -0.049 0.000 0.827 3517 A HN 0.417 nan 8.150 nan 0.000 0.457 3518 E N 0.627 120.796 120.200 -0.051 0.000 2.070 3518 E HA -0.260 4.089 4.350 -0.001 0.000 0.197 3518 E C 1.372 177.943 176.600 -0.050 0.000 1.004 3518 E CA 1.625 57.998 56.400 -0.046 0.000 0.805 3518 E CB -0.130 29.544 29.700 -0.042 0.000 0.744 3518 E HN 0.540 nan 8.360 nan 0.000 0.451 3519 N N -0.038 118.627 118.700 -0.058 0.000 2.396 3519 N HA -0.073 4.667 4.740 -0.001 0.000 0.180 3519 N C 1.361 176.827 175.510 -0.074 0.000 1.028 3519 N CA 1.020 54.033 53.050 -0.061 0.000 0.893 3519 N CB -0.142 38.306 38.487 -0.064 0.000 0.967 3519 N HN 0.227 nan 8.380 nan 0.000 0.440 3520 A N 0.065 122.832 122.820 -0.088 0.000 2.119 3520 A HA 0.299 4.618 4.320 -0.001 0.000 0.216 3520 A C 1.467 179.009 177.584 -0.069 0.000 1.152 3520 A CA 1.053 53.029 52.037 -0.101 0.000 0.708 3520 A CB -0.384 18.540 19.000 -0.127 0.000 0.805 3520 A HN 0.306 nan 8.150 nan 0.000 0.460 3521 G N -1.331 107.437 108.800 -0.054 0.000 2.142 3521 G HA2 -0.179 3.780 3.960 -0.001 0.000 0.225 3521 G HA3 -0.179 3.780 3.960 -0.001 0.000 0.225 3521 G C -0.050 174.829 174.900 -0.034 0.000 1.015 3521 G CA 0.280 45.356 45.100 -0.039 0.000 0.716 3521 G HN 0.438 nan 8.290 nan 0.000 0.508 3522 L N -0.150 121.050 121.223 -0.038 0.000 2.387 3522 L HA 0.548 4.887 4.340 -0.001 0.000 0.266 3522 L C 0.357 177.211 176.870 -0.026 0.000 1.059 3522 L CA -1.096 53.725 54.840 -0.031 0.000 0.801 3522 L CB 0.913 42.951 42.059 -0.035 0.000 1.223 3522 L HN 0.099 nan 8.230 nan 0.000 0.456 3523 D N 0.721 121.109 120.400 -0.020 0.000 2.338 3523 D HA 0.199 4.839 4.640 -0.001 0.000 0.255 3523 D C 0.740 177.029 176.300 -0.019 0.000 1.237 3523 D CA -0.007 53.982 54.000 -0.017 0.000 0.883 3523 D CB 1.850 42.642 40.800 -0.012 0.000 1.087 3523 D HN 0.588 nan 8.370 nan 0.000 0.485 3524 A N 5.216 128.023 122.820 -0.021 0.000 1.978 3524 A HA -0.179 4.141 4.320 -0.001 0.000 0.220 3524 A C 2.064 179.637 177.584 -0.018 0.000 1.170 3524 A CA 0.890 52.913 52.037 -0.023 0.000 0.636 3524 A CB -0.328 18.657 19.000 -0.025 0.000 0.810 3524 A HN 0.700 nan 8.150 nan 0.000 0.448 3525 I N -0.533 120.029 120.570 -0.014 0.000 2.235 3525 I HA -0.153 4.017 4.170 -0.001 0.000 0.241 3525 I C 2.434 178.547 176.117 -0.008 0.000 1.085 3525 I CA 1.681 62.975 61.300 -0.011 0.000 1.378 3525 I CB -1.464 36.531 38.000 -0.008 0.000 1.076 3525 I HN 0.572 nan 8.210 nan 0.000 0.415 3526 E N 1.554 121.750 120.200 -0.007 0.000 2.051 3526 E HA -0.218 4.131 4.350 -0.001 0.000 0.192 3526 E C 2.336 178.934 176.600 -0.003 0.000 0.991 3526 E CA 1.637 58.035 56.400 -0.004 0.000 0.799 3526 E CB -0.094 29.604 29.700 -0.004 0.000 0.748 3526 E HN 0.591 nan 8.360 nan 0.000 0.449 3527 I N -0.892 119.674 120.570 -0.007 0.000 2.439 3527 I HA -0.128 4.041 4.170 -0.001 0.000 0.251 3527 I C 2.388 178.501 176.117 -0.007 0.000 1.139 3527 I CA 0.591 61.887 61.300 -0.006 0.000 1.438 3527 I CB -0.271 37.721 38.000 -0.013 0.000 1.085 3527 I HN 0.120 nan 8.210 nan 0.000 0.427 3528 L N 1.231 122.448 121.223 -0.011 0.000 2.046 3528 L HA -0.080 4.260 4.340 -0.001 0.000 0.208 3528 L C 2.342 179.210 176.870 -0.004 0.000 1.077 3528 L CA 1.772 56.604 54.840 -0.012 0.000 0.747 3528 L CB -0.477 41.572 42.059 -0.015 0.000 0.896 3528 L HN 0.119 nan 8.230 nan 0.000 0.432 3529 V N -0.523 119.391 119.914 0.000 0.000 2.302 3529 V HA -0.208 3.911 4.120 -0.001 0.000 0.243 3529 V C 2.520 178.622 176.094 0.012 0.000 1.036 3529 V CA 1.884 64.188 62.300 0.006 0.000 1.020 3529 V CB -0.568 31.258 31.823 0.005 0.000 0.657 3529 V HN 0.401 nan 8.190 nan 0.000 0.453 3530 K N -0.256 120.150 120.400 0.011 0.000 2.103 3530 K HA -0.062 4.257 4.320 -0.001 0.000 0.204 3530 K C 2.046 178.660 176.600 0.025 0.000 1.052 3530 K CA 1.101 57.398 56.287 0.016 0.000 0.945 3530 K CB -0.222 32.285 32.500 0.012 0.000 0.722 3530 K HN 0.300 nan 8.250 nan 0.000 0.443 3531 V N 1.308 121.236 119.914 0.022 0.000 2.379 3531 V HA -0.181 3.939 4.120 -0.001 0.000 0.245 3531 V C 2.382 178.508 176.094 0.054 0.000 1.044 3531 V CA 1.433 63.754 62.300 0.034 0.000 1.036 3531 V CB -0.445 31.387 31.823 0.015 0.000 0.664 3531 V HN 0.297 nan 8.190 nan 0.000 0.453 3532 R N 0.544 121.064 120.500 0.034 0.000 2.083 3532 R HA -0.212 4.128 4.340 -0.001 0.000 0.237 3532 R C 2.265 178.612 176.300 0.077 0.000 1.137 3532 R CA 1.972 58.099 56.100 0.046 0.000 0.951 3532 R CB -0.472 29.840 30.300 0.021 0.000 0.851 3532 R HN 0.474 nan 8.270 nan 0.000 0.434 3533 A N 0.538 123.389 122.820 0.052 0.000 1.898 3533 A HA -0.054 4.266 4.320 -0.001 0.000 0.216 3533 A C 2.361 179.974 177.584 0.048 0.000 1.181 3533 A CA 1.576 53.640 52.037 0.044 0.000 0.620 3533 A CB -0.743 18.274 19.000 0.028 0.000 0.819 3533 A HN 0.562 nan 8.150 nan 0.000 0.442 3534 A N -0.939 121.913 122.820 0.053 0.000 1.902 3534 A HA -0.167 4.152 4.320 -0.001 0.000 0.217 3534 A C 2.025 179.642 177.584 0.055 0.000 1.181 3534 A CA 2.115 54.180 52.037 0.047 0.000 0.623 3534 A CB -0.852 18.177 19.000 0.048 0.000 0.818 3534 A HN 0.780 nan 8.150 nan 0.000 0.443 3535 H N -0.265 118.808 119.070 0.006 0.000 2.299 3535 H HA 0.090 4.646 4.556 -0.000 0.000 0.302 3535 H C 2.211 177.543 175.328 0.007 0.000 1.078 3535 H CA 1.989 58.041 56.048 0.006 0.000 1.323 3535 H CB -0.264 29.502 29.762 0.005 0.000 1.381 3535 H HN 0.371 nan 8.280 nan 0.000 0.498 3536 A N -0.594 122.279 122.820 0.088 0.000 1.940 3536 A HA -0.197 4.123 4.320 -0.001 0.000 0.219 3536 A C 2.578 180.145 177.584 -0.028 0.000 1.176 3536 A CA 2.081 54.140 52.037 0.038 0.000 0.631 3536 A CB -1.063 17.983 19.000 0.076 0.000 0.814 3536 A HN 0.521 nan 8.150 nan 0.000 0.446 3537 S N -0.617 115.071 115.700 -0.021 0.000 2.371 3537 S HA -0.077 4.393 4.470 -0.001 0.000 0.219 3537 S C 1.834 176.406 174.600 -0.046 0.000 1.040 3537 S CA 1.038 59.224 58.200 -0.023 0.000 0.958 3537 S CB -0.379 62.818 63.200 -0.006 0.000 0.860 3537 S HN 0.602 nan 8.310 nan 0.000 0.487 3538 N N 1.053 119.721 118.700 -0.055 0.000 2.409 3538 N HA 0.242 4.981 4.740 -0.001 0.000 0.179 3538 N C 1.053 176.504 175.510 -0.098 0.000 1.032 3538 N CA 0.974 53.990 53.050 -0.058 0.000 0.898 3538 N CB 0.163 38.629 38.487 -0.034 0.000 0.971 3538 N HN 0.609 nan 8.380 nan 0.000 0.441 3539 G N 0.606 109.292 108.800 -0.189 0.000 2.342 3539 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.220 3539 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.220 3539 G C 0.150 174.799 174.900 -0.418 0.000 1.243 3539 G CA 0.140 45.088 45.100 -0.253 0.000 1.083 3539 G HN 0.271 nan 8.290 nan 0.000 0.500 3540 N N 0.140 118.701 118.700 -0.232 0.000 2.436 3540 N HA -0.008 4.732 4.740 -0.001 0.000 0.178 3540 N C 1.622 177.149 175.510 0.028 0.000 1.026 3540 N CA 1.427 54.435 53.050 -0.070 0.000 0.880 3540 N CB -0.140 38.364 38.487 0.027 0.000 1.061 3540 N HN 0.837 nan 8.380 nan 0.000 0.434 3541 K N -0.223 120.175 120.400 -0.003 0.000 2.387 3541 K HA 0.325 4.644 4.320 -0.001 0.000 0.198 3541 K C -0.152 176.451 176.600 0.005 0.000 1.022 3541 K CA -0.158 56.136 56.287 0.012 0.000 1.128 3541 K CB 0.039 32.542 32.500 0.005 0.000 0.853 3541 K HN 0.034 nan 8.250 nan 0.000 0.523 3542 C N 1.213 120.509 119.300 -0.008 0.000 2.955 3542 C HA 0.690 5.150 4.460 -0.001 0.000 0.229 3542 C C 0.382 175.374 174.990 0.003 0.000 1.842 3542 C CA -0.488 58.525 59.018 -0.008 0.000 1.539 3542 C CB -0.683 27.041 27.740 -0.027 0.000 2.869 3542 C HN 0.654 nan 8.230 nan 0.000 0.503 3543 A N 0.042 122.885 122.820 0.039 0.000 5.810 3543 A HA 0.946 5.266 4.320 -0.001 0.000 0.151 3543 A C 0.149 177.781 177.584 0.080 0.000 0.903 3543 A CA 0.405 52.484 52.037 0.070 0.000 1.207 3543 A CB -0.379 18.681 19.000 0.102 0.000 2.339 3543 A HN 1.963 nan 8.150 nan 0.000 1.102 3544 G N -1.855 107.007 108.800 0.103 0.000 2.787 3544 G HA2 0.366 4.326 3.960 -0.001 0.000 0.685 3544 G HA3 0.366 4.326 3.960 -0.001 0.000 0.685 3544 G C -0.754 174.174 174.900 0.047 0.000 1.437 3544 G CA -0.011 45.129 45.100 0.066 0.000 0.872 3544 G HN 2.037 nan 8.290 nan 0.000 0.566 3545 L N 0.696 121.937 121.223 0.030 0.000 2.275 3545 L HA 0.742 5.082 4.340 -0.001 0.000 0.288 3545 L C 0.200 177.092 176.870 0.037 0.000 1.046 3545 L CA -0.995 53.859 54.840 0.024 0.000 0.805 3545 L CB 1.536 43.597 42.059 0.003 0.000 1.193 3545 L HN 0.747 nan 8.230 nan 0.000 0.426 3546 N N 3.003 121.734 118.700 0.051 0.000 2.501 3546 N HA 0.222 4.961 4.740 -0.001 0.000 0.245 3546 N C 0.807 176.356 175.510 0.064 0.000 0.974 3546 N CA -0.271 52.835 53.050 0.094 0.000 0.941 3546 N CB 1.199 39.756 38.487 0.117 0.000 1.122 3546 N HN 0.510 nan 8.380 nan 0.000 0.507 3547 V N 1.621 121.536 119.914 0.001 0.000 2.913 3547 V HA -0.012 4.107 4.120 -0.001 0.000 0.260 3547 V C 1.404 177.405 176.094 -0.154 0.000 1.098 3547 V CA 1.234 63.465 62.300 -0.116 0.000 1.121 3547 V CB -1.200 30.487 31.823 -0.227 0.000 0.714 3547 V HN 0.473 nan 8.190 nan 0.000 0.487 3548 F N 2.523 122.472 119.950 -0.003 0.000 2.259 3548 F HA -0.042 4.485 4.527 -0.000 0.000 0.298 3548 F C 2.675 178.474 175.800 -0.001 0.000 1.088 3548 F CA 1.850 59.849 58.000 -0.002 0.000 1.358 3548 F CB -0.367 38.633 39.000 -0.001 0.000 1.040 3548 F HN 0.380 nan 8.300 nan 0.000 0.505 3549 T N -4.043 110.613 114.554 0.171 0.000 3.022 3549 T HA 0.362 4.711 4.350 -0.001 0.000 0.250 3549 T C 1.546 176.276 174.700 0.049 0.000 1.060 3549 T CA 0.422 62.578 62.100 0.093 0.000 1.013 3549 T CB 0.270 69.183 68.868 0.077 0.000 0.982 3549 T HN 0.355 nan 8.240 nan 0.000 0.508 3550 G N 1.085 109.905 108.800 0.033 0.000 2.225 3550 G HA2 0.231 4.190 3.960 -0.001 0.000 0.264 3550 G HA3 0.231 4.190 3.960 -0.001 0.000 0.264 3550 G C 0.099 175.005 174.900 0.010 0.000 1.060 3550 G CA -0.182 44.921 45.100 0.006 0.000 0.833 3550 G HN 1.435 nan 8.290 nan 0.000 0.498 3551 A N -1.840 120.992 122.820 0.021 0.000 2.608 3551 A HA 0.869 5.189 4.320 -0.001 0.000 0.292 3551 A C 0.031 177.631 177.584 0.027 0.000 1.066 3551 A CA 0.149 52.198 52.037 0.020 0.000 0.676 3551 A CB 1.350 20.363 19.000 0.022 0.000 1.277 3551 A HN 1.779 nan 8.150 nan 0.000 0.413 3552 V N 1.617 121.545 119.914 0.024 0.000 2.673 3552 V HA 0.395 4.514 4.120 -0.001 0.000 0.303 3552 V C 0.010 176.124 176.094 0.032 0.000 1.046 3552 V CA 0.964 63.282 62.300 0.029 0.000 1.126 3552 V CB 0.480 32.320 31.823 0.029 0.000 0.934 3552 V HN 0.917 nan 8.190 nan 0.000 0.487 3553 E N 3.804 124.026 120.200 0.038 0.000 2.359 3553 E HA 0.388 4.738 4.350 -0.001 0.000 0.223 3553 E C -1.406 175.215 176.600 0.034 0.000 0.877 3553 E CA -0.679 55.742 56.400 0.035 0.000 0.887 3553 E CB 0.726 30.451 29.700 0.041 0.000 1.890 3553 E HN 0.704 nan 8.360 nan 0.000 0.419 3554 D N 1.262 121.679 120.400 0.028 0.000 2.472 3554 D HA 0.180 4.820 4.640 -0.001 0.000 0.234 3554 D C 0.840 177.156 176.300 0.027 0.000 1.088 3554 D CA -0.279 53.736 54.000 0.025 0.000 0.882 3554 D CB 0.647 41.456 40.800 0.015 0.000 1.037 3554 D HN 0.188 nan 8.370 nan 0.000 0.520 3555 M N 1.660 121.282 119.600 0.036 0.000 2.159 3555 M HA -0.143 4.337 4.480 -0.001 0.000 0.263 3555 M C 2.321 178.636 176.300 0.025 0.000 1.063 3555 M CA 0.784 56.106 55.300 0.037 0.000 1.110 3555 M CB -1.143 31.484 32.600 0.045 0.000 1.374 3555 M HN 0.530 nan 8.290 nan 0.000 0.411 3556 C N 0.641 119.954 119.300 0.022 0.000 2.432 3556 C HA -0.170 4.290 4.460 -0.001 0.000 0.277 3556 C C 2.705 177.700 174.990 0.007 0.000 1.249 3556 C CA 1.408 60.434 59.018 0.014 0.000 1.725 3556 C CB -0.922 26.827 27.740 0.014 0.000 2.028 3556 C HN 0.636 nan 8.230 nan 0.000 0.477 3557 E N 0.030 120.234 120.200 0.007 0.000 2.110 3557 E HA -0.173 4.176 4.350 -0.001 0.000 0.193 3557 E C 1.377 177.975 176.600 -0.003 0.000 0.988 3557 E CA 1.165 57.566 56.400 0.001 0.000 0.804 3557 E CB -0.182 29.519 29.700 0.002 0.000 0.745 3557 E HN 0.654 nan 8.360 nan 0.000 0.458 3558 N N -0.370 118.329 118.700 -0.001 0.000 2.398 3558 N HA 0.004 4.743 4.740 -0.001 0.000 0.188 3558 N C 0.757 176.256 175.510 -0.019 0.000 1.122 3558 N CA 0.906 53.949 53.050 -0.012 0.000 0.866 3558 N CB 0.977 39.461 38.487 -0.005 0.000 0.970 3558 N HN 0.332 nan 8.380 nan 0.000 0.462 3559 G N 0.470 109.265 108.800 -0.009 0.000 2.153 3559 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.252 3559 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.252 3559 G C 0.047 174.946 174.900 -0.002 0.000 0.994 3559 G CA 0.097 45.192 45.100 -0.009 0.000 0.698 3559 G HN 0.205 nan 8.290 nan 0.000 0.521 3560 V N 1.488 121.408 119.914 0.010 0.000 2.222 3560 V HA 0.495 4.615 4.120 -0.001 0.000 0.253 3560 V C 0.766 176.877 176.094 0.029 0.000 1.210 3560 V CA 0.161 62.477 62.300 0.028 0.000 1.079 3560 V CB 0.413 32.267 31.823 0.052 0.000 1.265 3560 V HN 1.065 nan 8.190 nan 0.000 0.494 3561 V N 1.482 121.409 119.914 0.021 0.000 3.007 3561 V HA 0.894 5.013 4.120 -0.001 0.000 0.311 3561 V C -0.717 175.387 176.094 0.017 0.000 1.120 3561 V CA -0.759 61.553 62.300 0.019 0.000 0.980 3561 V CB 2.561 34.393 31.823 0.015 0.000 1.033 3561 V HN 0.637 nan 8.190 nan 0.000 0.429 3562 E N 1.909 122.119 120.200 0.016 0.000 2.369 3562 E HA 0.660 5.009 4.350 -0.001 0.000 0.270 3562 E C -3.241 173.365 176.600 0.010 0.000 0.909 3562 E CA -2.406 54.002 56.400 0.013 0.000 0.775 3562 E CB 2.153 31.860 29.700 0.012 0.000 1.270 3562 E HN 0.467 nan 8.360 nan 0.000 0.445 3563 P HA -0.008 nan 4.420 nan 0.000 0.268 3563 P C 0.865 178.169 177.300 0.006 0.000 1.205 3563 P CA -0.349 62.755 63.100 0.007 0.000 0.771 3563 P CB 0.478 32.181 31.700 0.006 0.000 0.858 3564 L N 4.534 125.760 121.223 0.006 0.000 2.042 3564 L HA -0.194 4.145 4.340 -0.001 0.000 0.210 3564 L C 2.200 179.073 176.870 0.005 0.000 1.076 3564 L CA 1.895 56.738 54.840 0.006 0.000 0.749 3564 L CB -0.697 41.365 42.059 0.006 0.000 0.893 3564 L HN 0.272 nan 8.230 nan 0.000 0.432 3565 R N -1.197 119.305 120.500 0.004 0.000 2.117 3565 R HA -0.164 4.175 4.340 -0.001 0.000 0.243 3565 R C 2.117 178.419 176.300 0.003 0.000 1.143 3565 R CA 1.616 57.718 56.100 0.004 0.000 0.968 3565 R CB -0.726 29.576 30.300 0.003 0.000 0.863 3565 R HN 0.346 nan 8.270 nan 0.000 0.444 3566 V N 1.326 121.242 119.914 0.003 0.000 2.261 3566 V HA -0.241 3.879 4.120 -0.001 0.000 0.246 3566 V C 2.225 178.319 176.094 0.000 0.000 1.047 3566 V CA 1.687 63.988 62.300 0.002 0.000 1.015 3566 V CB -0.299 31.525 31.823 0.002 0.000 0.642 3566 V HN 0.217 nan 8.190 nan 0.000 0.446 3567 K N -0.345 120.055 120.400 0.000 0.000 2.167 3567 K HA -0.010 4.310 4.320 -0.001 0.000 0.203 3567 K C 2.174 178.775 176.600 0.001 0.000 1.052 3567 K CA 1.263 57.548 56.287 -0.003 0.000 0.956 3567 K CB -0.560 31.938 32.500 -0.003 0.000 0.735 3567 K HN 0.482 nan 8.250 nan 0.000 0.451 3568 T N 1.255 115.812 114.554 0.004 0.000 2.812 3568 T HA -0.128 4.222 4.350 -0.001 0.000 0.264 3568 T C 1.900 176.606 174.700 0.010 0.000 1.042 3568 T CA 1.212 63.316 62.100 0.007 0.000 1.140 3568 T CB -0.005 68.866 68.868 0.005 0.000 0.870 3568 T HN 0.129 nan 8.240 nan 0.000 0.445 3569 Q N 1.254 121.058 119.800 0.007 0.000 2.123 3569 Q HA 0.158 4.497 4.340 -0.001 0.000 0.199 3569 Q C 2.269 178.274 176.000 0.009 0.000 0.966 3569 Q CA 1.504 57.312 55.803 0.008 0.000 0.845 3569 Q CB -0.619 28.122 28.738 0.006 0.000 0.907 3569 Q HN 0.476 nan 8.270 nan 0.000 0.439 3570 A N 0.507 123.329 122.820 0.003 0.000 1.858 3570 A HA -0.160 4.160 4.320 -0.001 0.000 0.216 3570 A C 1.934 179.518 177.584 -0.000 0.000 1.190 3570 A CA 1.615 53.650 52.037 -0.003 0.000 0.617 3570 A CB -0.713 18.280 19.000 -0.011 0.000 0.827 3570 A HN 0.443 nan 8.150 nan 0.000 0.443 3571 I N -0.118 120.457 120.570 0.008 0.000 2.252 3571 I HA -0.224 3.946 4.170 -0.001 0.000 0.245 3571 I C 2.650 178.808 176.117 0.068 0.000 1.102 3571 I CA 1.774 63.092 61.300 0.030 0.000 1.385 3571 I CB -1.483 36.547 38.000 0.050 0.000 1.064 3571 I HN 0.595 nan 8.210 nan 0.000 0.414 3572 Q N 0.879 120.709 119.800 0.051 0.000 2.002 3572 Q HA -0.205 4.135 4.340 -0.001 0.000 0.204 3572 Q C 2.385 178.414 176.000 0.048 0.000 0.988 3572 Q CA 2.725 58.557 55.803 0.049 0.000 0.843 3572 Q CB 0.091 28.845 28.738 0.027 0.000 0.908 3572 Q HN 0.360 nan 8.270 nan 0.000 0.420 3573 S N 0.286 116.005 115.700 0.032 0.000 2.368 3573 S HA -0.102 4.368 4.470 -0.001 0.000 0.224 3573 S C 1.937 176.556 174.600 0.032 0.000 1.029 3573 S CA 0.885 59.102 58.200 0.028 0.000 0.988 3573 S CB -0.339 62.871 63.200 0.017 0.000 0.838 3573 S HN 0.571 nan 8.310 nan 0.000 0.462 3574 A N 1.669 124.504 122.820 0.025 0.000 1.877 3574 A HA 0.079 4.399 4.320 -0.001 0.000 0.216 3574 A C 2.359 179.967 177.584 0.040 0.000 1.186 3574 A CA 1.753 53.798 52.037 0.013 0.000 0.620 3574 A CB -1.126 17.863 19.000 -0.018 0.000 0.822 3574 A HN 0.515 nan 8.150 nan 0.000 0.443 3575 A N -0.585 122.288 122.820 0.089 0.000 1.933 3575 A HA -0.118 4.201 4.320 -0.001 0.000 0.218 3575 A C 1.976 179.652 177.584 0.153 0.000 1.175 3575 A CA 2.110 54.257 52.037 0.183 0.000 0.628 3575 A CB -0.419 18.774 19.000 0.323 0.000 0.814 3575 A HN 0.543 nan 8.150 nan 0.000 0.444 3576 E N -0.151 120.109 120.200 0.101 0.000 2.072 3576 E HA -0.112 4.238 4.350 -0.001 0.000 0.190 3576 E C 2.221 178.863 176.600 0.070 0.000 0.982 3576 E CA 1.449 57.896 56.400 0.079 0.000 0.803 3576 E CB -0.341 29.390 29.700 0.053 0.000 0.755 3576 E HN 0.461 nan 8.360 nan 0.000 0.453 3577 S N -1.279 114.455 115.700 0.057 0.000 2.383 3577 S HA -0.112 4.358 4.470 -0.001 0.000 0.227 3577 S C 1.885 176.518 174.600 0.054 0.000 1.026 3577 S CA 1.657 59.884 58.200 0.044 0.000 0.981 3577 S CB -0.543 62.675 63.200 0.029 0.000 0.818 3577 S HN 0.407 nan 8.310 nan 0.000 0.472 3578 T N 1.731 116.328 114.554 0.071 0.000 2.652 3578 T HA -0.124 4.225 4.350 -0.001 0.000 0.267 3578 T C 1.761 176.541 174.700 0.133 0.000 1.039 3578 T CA 1.649 63.806 62.100 0.094 0.000 1.153 3578 T CB -0.481 68.451 68.868 0.107 0.000 0.863 3578 T HN 0.587 nan 8.240 nan 0.000 0.428 3579 E N 0.583 120.883 120.200 0.166 0.000 2.085 3579 E HA -0.172 4.178 4.350 -0.001 0.000 0.194 3579 E C 2.253 178.900 176.600 0.077 0.000 0.994 3579 E CA 1.068 57.553 56.400 0.142 0.000 0.801 3579 E CB -0.234 29.550 29.700 0.141 0.000 0.743 3579 E HN 0.458 nan 8.360 nan 0.000 0.453 3580 M N 0.240 119.879 119.600 0.064 0.000 2.082 3580 M HA -0.242 4.237 4.480 -0.001 0.000 0.258 3580 M C 1.951 178.272 176.300 0.035 0.000 1.069 3580 M CA 1.423 56.748 55.300 0.043 0.000 1.102 3580 M CB -0.050 32.572 32.600 0.037 0.000 1.336 3580 M HN 0.178 nan 8.290 nan 0.000 0.404 3581 L N 0.390 121.635 121.223 0.036 0.000 2.083 3581 L HA -0.154 4.186 4.340 -0.001 0.000 0.209 3581 L C 2.142 179.024 176.870 0.019 0.000 1.083 3581 L CA 1.655 56.509 54.840 0.022 0.000 0.752 3581 L CB -0.919 41.151 42.059 0.017 0.000 0.899 3581 L HN 0.402 nan 8.230 nan 0.000 0.433 3582 L N -1.585 119.659 121.223 0.034 0.000 2.395 3582 L HA -0.099 4.241 4.340 -0.001 0.000 0.218 3582 L C 2.489 179.364 176.870 0.008 0.000 1.130 3582 L CA 0.429 55.280 54.840 0.019 0.000 0.826 3582 L CB -0.361 41.715 42.059 0.028 0.000 0.941 3582 L HN 0.206 nan 8.230 nan 0.000 0.451 3583 R N 0.015 120.526 120.500 0.018 0.000 2.115 3583 R HA -0.026 4.314 4.340 -0.001 0.000 0.230 3583 R C 0.274 176.583 176.300 0.016 0.000 1.111 3583 R CA 0.618 56.728 56.100 0.017 0.000 0.976 3583 R CB -0.149 30.165 30.300 0.023 0.000 0.870 3583 R HN 0.140 nan 8.270 nan 0.000 0.445 3584 I N 2.165 122.744 120.570 0.015 0.000 2.496 3584 I HA -0.063 4.107 4.170 -0.001 0.000 0.285 3584 I C 0.657 176.783 176.117 0.015 0.000 1.080 3584 I CA 0.241 61.551 61.300 0.018 0.000 1.404 3584 I CB 1.157 39.168 38.000 0.019 0.000 1.403 3584 I HN 0.140 nan 8.210 nan 0.000 0.539 3585 D N 2.270 122.682 120.400 0.020 0.000 2.469 3585 D HA 0.176 4.815 4.640 -0.001 0.000 0.213 3585 D C -0.311 176.010 176.300 0.035 0.000 1.135 3585 D CA -0.007 54.005 54.000 0.019 0.000 0.834 3585 D CB 0.320 41.128 40.800 0.013 0.000 1.009 3585 D HN 0.359 nan 8.370 nan 0.000 0.507 3586 D N -0.283 120.143 120.400 0.044 0.000 2.812 3586 D HA 0.218 4.858 4.640 -0.001 0.000 0.210 3586 D C -1.672 174.666 176.300 0.064 0.000 1.260 3586 D CA -0.512 53.521 54.000 0.056 0.000 0.817 3586 D CB 2.193 43.017 40.800 0.040 0.000 1.694 3586 D HN -0.183 nan 8.370 nan 0.000 0.530 3587 V N 4.070 124.040 119.914 0.094 0.000 2.384 3587 V HA 0.544 4.663 4.120 -0.001 0.000 0.287 3587 V C 0.044 176.186 176.094 0.079 0.000 1.020 3587 V CA -0.588 61.772 62.300 0.100 0.000 0.850 3587 V CB 1.215 33.138 31.823 0.166 0.000 0.987 3587 V HN 0.415 nan 8.190 nan 0.000 0.436 3588 I N 4.511 125.115 120.570 0.056 0.000 2.355 3588 I HA 0.671 4.840 4.170 -0.001 0.000 0.288 3588 I C 0.432 176.572 176.117 0.038 0.000 0.999 3588 I CA -0.106 61.218 61.300 0.040 0.000 1.163 3588 I CB 1.745 39.762 38.000 0.028 0.000 1.316 3588 I HN 0.652 nan 8.210 nan 0.000 0.454 3589 A N 5.115 127.956 122.820 0.035 0.000 2.276 3589 A HA 0.884 5.203 4.320 -0.001 0.000 0.316 3589 A C 0.168 177.763 177.584 0.018 0.000 1.229 3589 A CA -0.568 51.486 52.037 0.029 0.000 0.851 3589 A CB 0.693 19.714 19.000 0.034 0.000 1.165 3589 A HN 0.780 nan 8.150 nan 0.000 0.513 3590 A N 1.972 124.801 122.820 0.015 0.000 2.371 3590 A HA 0.474 4.794 4.320 -0.001 0.000 0.257 3590 A C 0.593 178.182 177.584 0.008 0.000 1.089 3590 A CA -0.156 51.887 52.037 0.010 0.000 0.794 3590 A CB 0.086 19.092 19.000 0.010 0.000 1.029 3590 A HN 0.951 nan 8.150 nan 0.000 0.488 3591 E N 0.000 120.203 120.200 0.005 0.000 2.725 3591 E HA 0.000 4.350 4.350 -0.001 0.000 0.291 3591 E CA 0.000 56.402 56.400 0.003 0.000 0.976 3591 E CB 0.000 29.701 29.700 0.002 0.000 0.812 3591 E HN 0.000 nan 8.360 nan 0.000 0.440