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 3hwc_1_A DATA FIRST_RESID 3001 DATA SEQUENCE MRTGKQYLES LNDGRVVWVG NEKIDNVATH PLTRDYAERV AQFYDLHHRP DATA SEQUENCE DLQDVLTFVD ADGVRRSRQW QDPKDAAGLR VKRKYHETIL REIAAGSYGR DATA SEQUENCE LPDAHNYTFT TYADDPEVWE KQSIGAEGRN LTQNIHNFLK LLREKDLNCP DATA SEQUENCE LNFVDPQTDR SSDAAQARSP NLRIVEKTDD GIIVNGVKAV GTGIAFGDYM DATA SEQUENCE HIGCLYRPGI PGEQVIFAAI PTNTPGVTVF CRESTVKNDP AEHPLASQGD DATA SEQUENCE ELDSTTVFDN VFIPWEQVFH IGNPEHAKLY PQRIFDWVHY HILIRQVLRA DATA SEQUENCE ELIVGLAILI TEHIGTSKLP TVSARVAKLV AFHLAMQAHL IASEETGFHT DATA SEQUENCE KGGRYKPNPL IYDFGRAHFL QNQMSVMYEL LDLAGRSSLM IPSEGQWDDS DATA SEQUENCE QSGQWFVKLN NGPKGNPRER VQIGRVIRDL YLTDWGGRQF MFENFNGTPL DATA SEQUENCE FAVFAATMTR DDMSAAGTYG KFASQVCGIE FG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3001 M HA 0.000 nan 4.480 nan 0.000 0.227 3001 M C 0.000 176.404 176.300 0.173 0.000 1.140 3001 M CA 0.000 55.335 55.300 0.058 0.000 0.988 3001 M CB 0.000 32.525 32.600 -0.126 0.000 1.302 3002 R N 1.656 122.212 120.500 0.092 0.000 2.679 3002 R HA 0.396 4.741 4.340 0.009 0.000 0.268 3002 R C -0.014 176.369 176.300 0.139 0.000 1.044 3002 R CA 0.539 56.639 56.100 0.001 0.000 1.105 3002 R CB 0.801 30.930 30.300 -0.286 0.000 0.989 3002 R HN 0.715 nan 8.270 nan 0.000 0.447 3003 T N 0.784 115.396 114.554 0.096 0.000 2.918 3003 T HA 0.314 4.670 4.350 0.009 0.000 0.283 3003 T C 1.389 176.176 174.700 0.145 0.000 1.001 3003 T CA -0.442 61.739 62.100 0.134 0.000 1.041 3003 T CB 1.733 70.595 68.868 -0.011 0.000 1.028 3003 T HN 0.627 nan 8.240 nan 0.000 0.511 3004 G N 0.608 109.553 108.800 0.242 0.000 2.440 3004 G HA2 -0.239 3.727 3.960 0.009 0.000 0.218 3004 G HA3 -0.239 3.727 3.960 0.009 0.000 0.218 3004 G C 1.356 176.395 174.900 0.233 0.000 1.154 3004 G CA 1.024 46.308 45.100 0.307 0.000 0.767 3004 G HN 0.868 nan 8.290 nan 0.000 0.552 3005 K N 0.052 120.530 120.400 0.130 0.000 2.063 3005 K HA -0.140 4.185 4.320 0.009 0.000 0.208 3005 K C 2.603 179.237 176.600 0.057 0.000 1.048 3005 K CA 1.568 57.902 56.287 0.078 0.000 0.928 3005 K CB -0.197 32.326 32.500 0.038 0.000 0.713 3005 K HN 0.400 nan 8.250 nan 0.000 0.442 3006 Q N -0.837 118.992 119.800 0.049 0.000 2.084 3006 Q HA -0.220 4.125 4.340 0.009 0.000 0.202 3006 Q C 1.972 177.993 176.000 0.035 0.000 0.978 3006 Q CA 1.867 57.682 55.803 0.020 0.000 0.844 3006 Q CB -0.253 28.483 28.738 -0.003 0.000 0.898 3006 Q HN 0.434 nan 8.270 nan 0.000 0.426 3007 Y N 0.949 121.224 120.300 -0.041 0.000 2.114 3007 Y HA -0.261 4.295 4.550 0.009 0.000 0.284 3007 Y C 1.802 177.744 175.900 0.069 0.000 1.143 3007 Y CA 1.103 59.205 58.100 0.003 0.000 1.135 3007 Y CB -0.375 38.131 38.460 0.077 0.000 0.980 3007 Y HN 0.024 nan 8.280 nan 0.000 0.499 3008 L N 1.127 122.289 121.223 -0.101 0.000 2.043 3008 L HA -0.258 4.087 4.340 0.009 0.000 0.212 3008 L C 2.355 179.121 176.870 -0.172 0.000 1.075 3008 L CA 2.080 56.817 54.840 -0.172 0.000 0.752 3008 L CB -1.303 40.771 42.059 0.024 0.000 0.891 3008 L HN 0.384 nan 8.230 nan 0.000 0.432 3009 E N -1.153 118.990 120.200 -0.095 0.000 2.106 3009 E HA -0.168 4.187 4.350 0.009 0.000 0.192 3009 E C 2.165 178.707 176.600 -0.095 0.000 0.984 3009 E CA 1.257 57.614 56.400 -0.073 0.000 0.806 3009 E CB -0.125 29.553 29.700 -0.037 0.000 0.750 3009 E HN 0.597 nan 8.360 nan 0.000 0.458 3010 S N 0.549 116.179 115.700 -0.118 0.000 2.474 3010 S HA -0.095 4.380 4.470 0.009 0.000 0.235 3010 S C 1.831 176.353 174.600 -0.130 0.000 0.997 3010 S CA 0.474 58.618 58.200 -0.094 0.000 0.949 3010 S CB -0.062 63.111 63.200 -0.045 0.000 0.766 3010 S HN 0.059 nan 8.310 nan 0.000 0.517 3011 L N 1.934 123.028 121.223 -0.216 0.000 2.291 3011 L HA 0.268 4.614 4.340 0.009 0.000 0.214 3011 L C 1.033 177.827 176.870 -0.128 0.000 1.120 3011 L CA 0.884 55.606 54.840 -0.197 0.000 0.799 3011 L CB -1.328 40.574 42.059 -0.262 0.000 0.925 3011 L HN 0.318 nan 8.230 nan 0.000 0.446 3012 N N 0.881 119.519 118.700 -0.103 0.000 3.034 3012 N HA 0.045 4.791 4.740 0.009 0.000 0.265 3012 N C -0.297 175.175 175.510 -0.063 0.000 1.166 3012 N CA 0.080 53.086 53.050 -0.075 0.000 1.081 3012 N CB -0.123 38.330 38.487 -0.058 0.000 1.378 3012 N HN 0.242 nan 8.380 nan 0.000 0.520 3013 D N -0.203 120.156 120.400 -0.068 0.000 2.620 3013 D HA 0.200 4.845 4.640 0.009 0.000 0.260 3013 D C 0.957 177.221 176.300 -0.059 0.000 1.367 3013 D CA -0.262 53.703 54.000 -0.059 0.000 0.805 3013 D CB -0.415 40.349 40.800 -0.060 0.000 1.096 3013 D HN 0.255 nan 8.370 nan 0.000 0.488 3014 G N 1.873 110.636 108.800 -0.062 0.000 2.153 3014 G HA2 -0.369 3.596 3.960 0.009 0.000 0.252 3014 G HA3 -0.369 3.596 3.960 0.009 0.000 0.252 3014 G C 0.334 175.193 174.900 -0.070 0.000 0.994 3014 G CA 0.154 45.219 45.100 -0.059 0.000 0.698 3014 G HN 0.759 nan 8.290 nan 0.000 0.521 3015 R N -0.761 119.688 120.500 -0.085 0.000 2.698 3015 R HA 0.388 4.733 4.340 0.009 0.000 0.266 3015 R C -0.242 175.995 176.300 -0.105 0.000 1.026 3015 R CA -0.154 55.885 56.100 -0.100 0.000 1.102 3015 R CB 0.796 31.029 30.300 -0.112 0.000 0.978 3015 R HN 0.222 nan 8.270 nan 0.000 0.436 3016 V N 3.886 123.731 119.914 -0.115 0.000 2.320 3016 V HA 0.229 4.355 4.120 0.009 0.000 0.265 3016 V C -0.231 175.786 176.094 -0.128 0.000 1.048 3016 V CA -0.565 61.675 62.300 -0.099 0.000 0.865 3016 V CB 1.082 32.850 31.823 -0.091 0.000 1.043 3016 V HN 0.544 nan 8.190 nan 0.000 0.474 3017 V N 4.287 124.146 119.914 -0.093 0.000 2.588 3017 V HA 0.520 4.645 4.120 0.009 0.000 0.304 3017 V C -0.982 175.124 176.094 0.019 0.000 1.042 3017 V CA -0.756 61.488 62.300 -0.094 0.000 0.877 3017 V CB 2.106 33.833 31.823 -0.161 0.000 0.996 3017 V HN 0.820 nan 8.190 nan 0.000 0.425 3018 W N 3.179 124.319 121.300 -0.266 0.000 2.520 3018 W HA 0.700 5.365 4.660 0.009 0.000 0.323 3018 W C -0.465 176.016 176.519 -0.063 0.000 1.062 3018 W CA -0.865 56.410 57.345 -0.116 0.000 1.215 3018 W CB 1.806 31.303 29.460 0.063 0.000 1.340 3018 W HN 0.263 nan 8.180 nan 0.000 0.516 3019 V N 4.908 124.882 119.914 0.101 0.000 2.304 3019 V HA 0.647 4.773 4.120 0.009 0.000 0.278 3019 V C 0.800 176.969 176.094 0.125 0.000 1.018 3019 V CA 0.071 62.428 62.300 0.093 0.000 0.814 3019 V CB 0.448 32.279 31.823 0.014 0.000 1.021 3019 V HN 0.952 nan 8.190 nan 0.000 0.440 3020 G N 5.653 114.565 108.800 0.186 0.000 2.583 3020 G HA2 -0.327 3.638 3.960 0.009 0.000 0.292 3020 G HA3 -0.327 3.638 3.960 0.009 0.000 0.292 3020 G C 0.759 175.821 174.900 0.270 0.000 1.203 3020 G CA 0.666 45.875 45.100 0.181 0.000 0.987 3020 G HN 0.597 nan 8.290 nan 0.000 0.554 3021 N N 2.209 121.006 118.700 0.162 0.000 2.515 3021 N HA 0.092 4.838 4.740 0.009 0.000 0.185 3021 N C 0.316 175.762 175.510 -0.106 0.000 1.109 3021 N CA 0.881 54.007 53.050 0.127 0.000 0.903 3021 N CB 0.093 38.623 38.487 0.073 0.000 0.969 3021 N HN 0.546 nan 8.380 nan 0.000 0.450 3022 E N 1.107 121.244 120.200 -0.106 0.000 2.200 3022 E HA 0.109 4.464 4.350 0.009 0.000 0.283 3022 E C -0.017 176.310 176.600 -0.456 0.000 1.015 3022 E CA -0.466 55.791 56.400 -0.237 0.000 0.819 3022 E CB 1.506 31.147 29.700 -0.099 0.000 1.081 3022 E HN -0.062 nan 8.360 nan 0.000 0.397 3023 K N 3.205 123.215 120.400 -0.650 0.000 2.276 3023 K HA 0.184 4.509 4.320 0.009 0.000 0.283 3023 K C -0.507 175.841 176.600 -0.419 0.000 1.044 3023 K CA -0.368 55.504 56.287 -0.691 0.000 0.944 3023 K CB 0.395 32.467 32.500 -0.712 0.000 1.012 3023 K HN 0.310 nan 8.250 nan 0.000 0.472 3024 I N 5.418 125.761 120.570 -0.377 0.000 2.304 3024 I HA 0.069 4.244 4.170 0.009 0.000 0.291 3024 I C 0.734 176.738 176.117 -0.188 0.000 1.018 3024 I CA -0.430 60.643 61.300 -0.379 0.000 1.260 3024 I CB 0.940 38.703 38.000 -0.394 0.000 1.390 3024 I HN 0.846 nan 8.210 nan 0.000 0.475 3025 D N 5.024 125.376 120.400 -0.080 0.000 2.123 3025 D HA -0.131 4.515 4.640 0.009 0.000 0.200 3025 D C 0.534 176.808 176.300 -0.042 0.000 0.976 3025 D CA 0.922 54.897 54.000 -0.042 0.000 0.831 3025 D CB 0.239 41.040 40.800 0.001 0.000 0.974 3025 D HN 0.622 nan 8.370 nan 0.000 0.469 3026 N N -0.645 118.046 118.700 -0.016 0.000 2.519 3026 N HA 0.150 4.896 4.740 0.009 0.000 0.291 3026 N C 0.119 175.616 175.510 -0.022 0.000 1.107 3026 N CA -0.390 52.641 53.050 -0.032 0.000 0.904 3026 N CB 2.220 40.697 38.487 -0.017 0.000 1.500 3026 N HN -0.231 nan 8.380 nan 0.000 0.510 3027 V N 2.894 122.753 119.914 -0.091 0.000 2.568 3027 V HA -0.204 3.922 4.120 0.009 0.000 0.253 3027 V C 2.279 178.374 176.094 0.002 0.000 1.072 3027 V CA 2.432 64.662 62.300 -0.117 0.000 1.084 3027 V CB -0.601 31.035 31.823 -0.312 0.000 0.676 3027 V HN 0.820 nan 8.190 nan 0.000 0.469 3028 A N 0.119 122.935 122.820 -0.006 0.000 2.014 3028 A HA -0.134 4.191 4.320 0.009 0.000 0.218 3028 A C 2.287 179.915 177.584 0.074 0.000 1.163 3028 A CA 2.100 54.161 52.037 0.040 0.000 0.652 3028 A CB -0.404 18.580 19.000 -0.026 0.000 0.808 3028 A HN 0.642 nan 8.150 nan 0.000 0.449 3029 T N -4.987 109.606 114.554 0.066 0.000 2.975 3029 T HA 0.200 4.555 4.350 0.009 0.000 0.261 3029 T C 0.495 175.236 174.700 0.069 0.000 0.984 3029 T CA 0.086 62.221 62.100 0.058 0.000 0.911 3029 T CB -0.505 68.378 68.868 0.026 0.000 1.127 3029 T HN 0.456 nan 8.240 nan 0.000 0.514 3030 H N 3.016 122.093 119.070 0.012 0.000 2.848 3030 H HA 0.251 4.812 4.556 0.009 0.000 0.341 3030 H C -1.684 173.665 175.328 0.034 0.000 1.060 3030 H CA -1.228 54.825 56.048 0.008 0.000 1.444 3030 H CB 1.178 30.933 29.762 -0.011 0.000 1.446 3030 H HN -0.107 nan 8.280 nan 0.000 0.583 3031 P HA -0.226 nan 4.420 nan 0.000 0.217 3031 P C 1.106 178.483 177.300 0.130 0.000 1.151 3031 P CA 0.939 64.010 63.100 -0.049 0.000 0.849 3031 P CB 0.232 31.832 31.700 -0.167 0.000 0.787 3032 L N -1.523 119.912 121.223 0.354 0.000 2.395 3032 L HA 0.006 4.351 4.340 0.009 0.000 0.218 3032 L C 1.835 178.862 176.870 0.262 0.000 1.130 3032 L CA 2.123 57.140 54.840 0.295 0.000 0.826 3032 L CB -1.665 40.569 42.059 0.291 0.000 0.941 3032 L HN 0.166 nan 8.230 nan 0.000 0.451 3033 T N -5.461 109.268 114.554 0.291 0.000 2.993 3033 T HA 0.052 4.408 4.350 0.009 0.000 0.260 3033 T C 1.728 176.661 174.700 0.388 0.000 0.939 3033 T CA -0.027 62.287 62.100 0.358 0.000 0.886 3033 T CB -0.011 68.992 68.868 0.225 0.000 1.209 3033 T HN 0.271 nan 8.240 nan 0.000 0.518 3034 R N 1.867 122.523 120.500 0.260 0.000 2.127 3034 R HA -0.070 4.275 4.340 0.009 0.000 0.238 3034 R C 1.255 177.677 176.300 0.203 0.000 1.134 3034 R CA 1.770 57.996 56.100 0.210 0.000 0.975 3034 R CB -0.739 29.639 30.300 0.131 0.000 0.865 3034 R HN 0.263 nan 8.270 nan 0.000 0.447 3035 D N 0.380 120.895 120.400 0.193 0.000 2.103 3035 D HA -0.167 4.478 4.640 0.009 0.000 0.199 3035 D C 1.764 178.147 176.300 0.138 0.000 0.978 3035 D CA 1.208 55.296 54.000 0.147 0.000 0.829 3035 D CB -0.345 40.531 40.800 0.126 0.000 0.981 3035 D HN 0.300 nan 8.370 nan 0.000 0.464 3036 Y N 1.781 122.098 120.300 0.028 0.000 2.200 3036 Y HA -0.158 4.397 4.550 0.009 0.000 0.290 3036 Y C 2.376 178.197 175.900 -0.133 0.000 1.137 3036 Y CA 1.622 59.594 58.100 -0.214 0.000 1.163 3036 Y CB -0.053 38.126 38.460 -0.469 0.000 0.988 3036 Y HN -0.071 nan 8.280 nan 0.000 0.518 3037 A N 0.488 123.406 122.820 0.164 0.000 1.917 3037 A HA -0.269 4.057 4.320 0.009 0.000 0.219 3037 A C 1.978 179.686 177.584 0.206 0.000 1.182 3037 A CA 2.195 54.439 52.037 0.346 0.000 0.633 3037 A CB -0.714 18.562 19.000 0.459 0.000 0.819 3037 A HN 0.676 nan 8.150 nan 0.000 0.448 3038 E N -1.027 119.244 120.200 0.118 0.000 2.274 3038 E HA -0.096 4.259 4.350 0.009 0.000 0.194 3038 E C 2.128 178.744 176.600 0.026 0.000 0.996 3038 E CA 0.229 56.692 56.400 0.105 0.000 0.840 3038 E CB -0.036 29.722 29.700 0.097 0.000 0.772 3038 E HN 0.382 nan 8.360 nan 0.000 0.491 3039 R N 0.378 120.806 120.500 -0.121 0.000 2.090 3039 R HA -0.045 4.300 4.340 0.009 0.000 0.228 3039 R C 2.320 178.481 176.300 -0.232 0.000 1.110 3039 R CA 0.708 56.699 56.100 -0.182 0.000 0.973 3039 R CB -0.658 29.420 30.300 -0.371 0.000 0.869 3039 R HN 0.115 nan 8.270 nan 0.000 0.440 3040 V N 1.353 121.025 119.914 -0.403 0.000 2.515 3040 V HA -0.155 3.970 4.120 0.009 0.000 0.250 3040 V C 2.538 178.562 176.094 -0.116 0.000 1.058 3040 V CA 1.647 63.700 62.300 -0.412 0.000 1.064 3040 V CB -0.827 30.613 31.823 -0.637 0.000 0.675 3040 V HN 0.264 nan 8.190 nan 0.000 0.461 3041 A N -0.378 122.515 122.820 0.122 0.000 1.902 3041 A HA -0.300 4.025 4.320 0.009 0.000 0.217 3041 A C 2.279 180.006 177.584 0.238 0.000 1.181 3041 A CA 2.047 54.273 52.037 0.315 0.000 0.623 3041 A CB -0.548 18.642 19.000 0.315 0.000 0.818 3041 A HN 0.583 nan 8.150 nan 0.000 0.443 3042 Q N -1.385 118.500 119.800 0.141 0.000 2.061 3042 Q HA -0.236 4.109 4.340 0.009 0.000 0.204 3042 Q C 1.876 177.946 176.000 0.117 0.000 0.984 3042 Q CA 2.068 57.940 55.803 0.115 0.000 0.846 3042 Q CB -0.354 28.432 28.738 0.080 0.000 0.902 3042 Q HN 0.666 nan 8.270 nan 0.000 0.421 3043 F N 0.170 120.077 119.950 -0.072 0.000 2.087 3043 F HA -0.311 4.221 4.527 0.009 0.000 0.299 3043 F C 1.485 177.296 175.800 0.018 0.000 1.100 3043 F CA 1.937 59.862 58.000 -0.125 0.000 1.226 3043 F CB -0.484 38.315 39.000 -0.335 0.000 0.983 3043 F HN 0.159 nan 8.300 nan 0.000 0.479 3044 Y N 0.421 120.802 120.300 0.134 0.000 2.184 3044 Y HA -0.197 4.358 4.550 0.009 0.000 0.290 3044 Y C 2.452 178.456 175.900 0.174 0.000 1.129 3044 Y CA 1.188 59.328 58.100 0.066 0.000 1.144 3044 Y CB -0.585 37.973 38.460 0.163 0.000 0.995 3044 Y HN 0.019 nan 8.280 nan 0.000 0.513 3045 D N -0.023 120.578 120.400 0.335 0.000 2.178 3045 D HA -0.151 4.494 4.640 0.009 0.000 0.201 3045 D C 2.052 178.470 176.300 0.198 0.000 0.980 3045 D CA 0.776 54.955 54.000 0.298 0.000 0.842 3045 D CB -0.335 40.579 40.800 0.189 0.000 0.948 3045 D HN 0.181 nan 8.370 nan 0.000 0.472 3046 L N 0.686 121.953 121.223 0.072 0.000 2.081 3046 L HA -0.193 4.152 4.340 0.009 0.000 0.212 3046 L C 1.770 178.558 176.870 -0.136 0.000 1.080 3046 L CA 1.812 56.603 54.840 -0.082 0.000 0.754 3046 L CB -0.915 41.000 42.059 -0.239 0.000 0.893 3046 L HN 0.153 nan 8.230 nan 0.000 0.433 3047 H N -2.469 116.510 119.070 -0.153 0.000 2.545 3047 H HA -0.014 4.547 4.556 0.009 0.000 0.282 3047 H C 1.578 176.777 175.328 -0.216 0.000 1.020 3047 H CA 1.122 57.052 56.048 -0.197 0.000 1.243 3047 H CB -0.048 29.553 29.762 -0.268 0.000 1.377 3047 H HN 0.436 nan 8.280 nan 0.000 0.581 3048 H N -0.117 119.015 119.070 0.103 0.000 2.575 3048 H HA 0.159 4.720 4.556 0.009 0.000 0.267 3048 H C 0.571 175.920 175.328 0.035 0.000 0.966 3048 H CA -0.022 56.068 56.048 0.070 0.000 1.165 3048 H CB 0.555 30.358 29.762 0.068 0.000 1.433 3048 H HN 0.116 nan 8.280 nan 0.000 0.544 3049 R N 2.222 122.782 120.500 0.100 0.000 2.446 3049 R HA -0.003 4.343 4.340 0.009 0.000 0.314 3049 R C -1.709 174.610 176.300 0.031 0.000 1.003 3049 R CA -1.254 54.876 56.100 0.049 0.000 1.018 3049 R CB 0.438 30.742 30.300 0.006 0.000 0.945 3049 R HN 0.176 nan 8.270 nan 0.000 0.419 3050 P HA -0.220 nan 4.420 nan 0.000 0.216 3050 P C 0.762 178.070 177.300 0.012 0.000 1.157 3050 P CA 1.422 64.538 63.100 0.027 0.000 0.880 3050 P CB 0.091 31.806 31.700 0.025 0.000 0.791 3051 D N -1.192 119.211 120.400 0.005 0.000 2.310 3051 D HA -0.118 4.527 4.640 0.009 0.000 0.212 3051 D C 1.265 177.557 176.300 -0.013 0.000 0.965 3051 D CA 0.922 54.920 54.000 -0.003 0.000 0.879 3051 D CB -0.574 40.223 40.800 -0.005 0.000 0.921 3051 D HN 0.144 nan 8.370 nan 0.000 0.510 3052 L N 0.348 121.559 121.223 -0.020 0.000 2.667 3052 L HA 0.168 4.514 4.340 0.009 0.000 0.232 3052 L C 2.253 179.106 176.870 -0.028 0.000 1.138 3052 L CA 0.156 54.971 54.840 -0.041 0.000 0.921 3052 L CB -0.250 41.760 42.059 -0.082 0.000 1.180 3052 L HN -0.014 nan 8.230 nan 0.000 0.487 3053 Q N -0.242 119.556 119.800 -0.004 0.000 2.096 3053 Q HA -0.225 4.120 4.340 0.009 0.000 0.204 3053 Q C 1.332 177.348 176.000 0.026 0.000 0.982 3053 Q CA 1.911 57.722 55.803 0.013 0.000 0.850 3053 Q CB 0.255 29.004 28.738 0.019 0.000 0.901 3053 Q HN 0.438 nan 8.270 nan 0.000 0.422 3054 D N -0.394 120.017 120.400 0.019 0.000 2.084 3054 D HA -0.147 4.498 4.640 0.009 0.000 0.194 3054 D C 1.942 178.261 176.300 0.031 0.000 0.990 3054 D CA 1.939 55.955 54.000 0.026 0.000 0.826 3054 D CB 0.057 40.867 40.800 0.016 0.000 0.971 3054 D HN 0.354 nan 8.370 nan 0.000 0.453 3055 V N -1.223 118.702 119.914 0.017 0.000 2.871 3055 V HA -0.048 4.077 4.120 0.009 0.000 0.256 3055 V C 1.989 178.140 176.094 0.095 0.000 1.082 3055 V CA 0.817 63.133 62.300 0.027 0.000 1.105 3055 V CB -0.169 31.648 31.823 -0.011 0.000 0.713 3055 V HN -0.003 nan 8.190 nan 0.000 0.473 3056 L N 0.761 122.032 121.223 0.079 0.000 2.575 3056 L HA 0.370 4.716 4.340 0.009 0.000 0.228 3056 L C 1.157 178.141 176.870 0.190 0.000 1.075 3056 L CA 1.353 56.290 54.840 0.163 0.000 0.867 3056 L CB 0.202 42.195 42.059 -0.111 0.000 1.097 3056 L HN 0.763 nan 8.230 nan 0.000 0.485 3057 T N -2.173 112.466 114.554 0.141 0.000 2.916 3057 T HA 0.655 5.010 4.350 0.009 0.000 0.292 3057 T C -0.607 174.249 174.700 0.260 0.000 1.055 3057 T CA -0.635 61.581 62.100 0.192 0.000 1.009 3057 T CB 2.282 71.215 68.868 0.108 0.000 1.118 3057 T HN 0.020 nan 8.240 nan 0.000 0.497 3058 F N -0.605 119.338 119.950 -0.011 0.000 2.662 3058 F HA 0.781 5.313 4.527 0.008 0.000 0.312 3058 F C -1.640 174.161 175.800 0.002 0.000 1.113 3058 F CA -1.669 56.325 58.000 -0.011 0.000 0.951 3058 F CB 1.180 40.165 39.000 -0.025 0.000 1.344 3058 F HN 0.443 nan 8.300 nan 0.000 0.462 3059 V N 2.709 122.482 119.914 -0.235 0.000 2.408 3059 V HA 0.139 4.264 4.120 0.009 0.000 0.267 3059 V C -0.042 175.752 176.094 -0.500 0.000 1.047 3059 V CA -0.080 62.016 62.300 -0.339 0.000 0.937 3059 V CB 0.562 32.312 31.823 -0.121 0.000 0.999 3059 V HN 0.734 nan 8.190 nan 0.000 0.472 3060 D N 3.930 123.934 120.400 -0.659 0.000 2.393 3060 D HA 0.291 4.936 4.640 0.009 0.000 0.246 3060 D C 1.134 177.348 176.300 -0.144 0.000 1.275 3060 D CA 0.308 54.032 54.000 -0.460 0.000 0.979 3060 D CB 1.579 42.144 40.800 -0.392 0.000 1.101 3060 D HN 0.517 nan 8.370 nan 0.000 0.505 3061 A N 0.558 123.358 122.820 -0.034 0.000 2.209 3061 A HA -0.112 4.214 4.320 0.009 0.000 0.212 3061 A C 1.077 178.641 177.584 -0.033 0.000 1.158 3061 A CA 1.279 53.314 52.037 -0.003 0.000 0.742 3061 A CB -0.268 18.752 19.000 0.034 0.000 0.790 3061 A HN 0.562 nan 8.150 nan 0.000 0.472 3062 D N -2.640 117.720 120.400 -0.066 0.000 2.363 3062 D HA 0.276 4.921 4.640 0.009 0.000 0.214 3062 D C 1.123 177.378 176.300 -0.075 0.000 1.093 3062 D CA 0.720 54.680 54.000 -0.067 0.000 0.837 3062 D CB -0.431 40.322 40.800 -0.078 0.000 0.948 3062 D HN 0.621 nan 8.370 nan 0.000 0.507 3063 G N -0.286 108.462 108.800 -0.088 0.000 2.176 3063 G HA2 -0.257 3.709 3.960 0.009 0.000 0.253 3063 G HA3 -0.257 3.709 3.960 0.009 0.000 0.253 3063 G C 0.131 174.968 174.900 -0.106 0.000 0.979 3063 G CA 0.247 45.297 45.100 -0.083 0.000 0.641 3063 G HN 0.376 nan 8.290 nan 0.000 0.530 3064 V N 1.369 121.200 119.914 -0.137 0.000 2.509 3064 V HA 0.496 4.621 4.120 0.009 0.000 0.284 3064 V C 1.088 177.055 176.094 -0.211 0.000 1.047 3064 V CA -0.589 61.624 62.300 -0.144 0.000 0.952 3064 V CB 1.584 33.326 31.823 -0.135 0.000 0.988 3064 V HN 0.467 nan 8.190 nan 0.000 0.469 3065 R N 4.950 125.352 120.500 -0.162 0.000 2.316 3065 R HA 0.454 4.799 4.340 0.009 0.000 0.314 3065 R C -0.217 175.989 176.300 -0.156 0.000 1.069 3065 R CA -0.119 55.873 56.100 -0.181 0.000 0.959 3065 R CB 0.374 30.620 30.300 -0.090 0.000 0.987 3065 R HN 0.750 nan 8.270 nan 0.000 0.446 3066 R N 1.774 122.149 120.500 -0.208 0.000 2.869 3066 R HA 0.238 4.583 4.340 0.009 0.000 0.263 3066 R C -0.830 175.589 176.300 0.198 0.000 1.066 3066 R CA -0.959 55.138 56.100 -0.004 0.000 0.960 3066 R CB 1.748 32.062 30.300 0.024 0.000 1.221 3066 R HN 0.583 nan 8.270 nan 0.000 0.474 3067 S N 0.171 116.051 115.700 0.299 0.000 2.562 3067 S HA 0.032 4.507 4.470 0.009 0.000 0.281 3067 S C 0.942 175.639 174.600 0.162 0.000 1.333 3067 S CA -0.225 58.106 58.200 0.218 0.000 1.052 3067 S CB 0.562 63.734 63.200 -0.047 0.000 0.884 3067 S HN 0.501 nan 8.310 nan 0.000 0.506 3068 R N 2.182 122.540 120.500 -0.236 0.000 2.357 3068 R HA -0.098 4.247 4.340 0.009 0.000 0.202 3068 R C 2.215 177.909 176.300 -1.011 0.000 1.047 3068 R CA 1.106 56.803 56.100 -0.672 0.000 1.034 3068 R CB -0.327 29.541 30.300 -0.720 0.000 0.875 3068 R HN 0.862 nan 8.270 nan 0.000 0.473 3069 Q N -0.117 119.033 119.800 -1.084 0.000 2.291 3069 Q HA -0.168 4.178 4.340 0.009 0.000 0.206 3069 Q C 0.812 176.474 176.000 -0.562 0.000 0.976 3069 Q CA 1.368 56.682 55.803 -0.815 0.000 0.875 3069 Q CB -0.199 28.169 28.738 -0.616 0.000 0.927 3069 Q HN 0.508 nan 8.270 nan 0.000 0.450 3070 W N 0.919 122.192 121.300 -0.045 0.000 3.211 3070 W HA 0.242 4.907 4.660 0.008 0.000 0.292 3070 W C 0.688 177.227 176.519 0.033 0.000 1.268 3070 W CA -0.825 56.583 57.345 0.104 0.000 1.702 3070 W CB 0.507 30.078 29.460 0.186 0.000 1.092 3070 W HN 0.133 nan 8.180 nan 0.000 0.643 3071 Q N 1.746 121.405 119.800 -0.233 0.000 2.327 3071 Q HA 0.063 4.408 4.340 0.009 0.000 0.254 3071 Q C -0.519 175.347 176.000 -0.223 0.000 0.952 3071 Q CA 0.126 55.578 55.803 -0.585 0.000 0.884 3071 Q CB 0.746 28.648 28.738 -1.393 0.000 1.224 3071 Q HN -0.109 nan 8.270 nan 0.000 0.422 3072 D N 5.467 125.817 120.400 -0.084 0.000 2.193 3072 D HA 0.353 4.999 4.640 0.009 0.000 0.244 3072 D C -2.394 173.895 176.300 -0.017 0.000 1.064 3072 D CA -1.453 52.569 54.000 0.036 0.000 0.845 3072 D CB 1.528 42.395 40.800 0.112 0.000 1.148 3072 D HN 0.412 nan 8.370 nan 0.000 0.464 3073 P HA 0.339 nan 4.420 nan 0.000 0.290 3073 P C -0.127 177.252 177.300 0.132 0.000 1.276 3073 P CA -0.479 62.646 63.100 0.041 0.000 0.808 3073 P CB 1.340 33.086 31.700 0.075 0.000 0.966 3074 K N 1.005 121.471 120.400 0.111 0.000 2.402 3074 K HA 0.179 4.505 4.320 0.009 0.000 0.204 3074 K C -0.183 176.537 176.600 0.200 0.000 1.056 3074 K CA -0.032 56.371 56.287 0.194 0.000 1.069 3074 K CB 0.446 33.031 32.500 0.142 0.000 0.888 3074 K HN 0.583 nan 8.250 nan 0.000 0.546 3075 D N -2.085 118.294 120.400 -0.035 0.000 2.738 3075 D HA 0.131 4.776 4.640 0.009 0.000 0.308 3075 D C 0.422 176.323 176.300 -0.664 0.000 1.311 3075 D CA -0.438 53.320 54.000 -0.404 0.000 0.799 3075 D CB 0.233 40.932 40.800 -0.167 0.000 1.332 3075 D HN -0.163 nan 8.370 nan 0.000 0.441 3076 A N 0.249 122.550 122.820 -0.864 0.000 1.908 3076 A HA 0.108 4.433 4.320 0.009 0.000 0.218 3076 A C 2.165 179.632 177.584 -0.194 0.000 1.181 3076 A CA 3.333 55.057 52.037 -0.521 0.000 0.627 3076 A CB -1.318 17.489 19.000 -0.322 0.000 0.818 3076 A HN 0.906 nan 8.150 nan 0.000 0.445 3077 A N -0.620 122.107 122.820 -0.155 0.000 1.933 3077 A HA 0.107 4.433 4.320 0.009 0.000 0.218 3077 A C 2.404 179.954 177.584 -0.055 0.000 1.175 3077 A CA 1.949 53.941 52.037 -0.074 0.000 0.628 3077 A CB -1.341 17.623 19.000 -0.059 0.000 0.814 3077 A HN 0.768 nan 8.150 nan 0.000 0.444 3078 G N -0.639 108.118 108.800 -0.073 0.000 2.422 3078 G HA2 -0.135 3.830 3.960 0.009 0.000 0.218 3078 G HA3 -0.135 3.830 3.960 0.009 0.000 0.218 3078 G C 1.539 176.427 174.900 -0.019 0.000 1.140 3078 G CA 0.837 45.908 45.100 -0.047 0.000 0.775 3078 G HN 0.418 nan 8.290 nan 0.000 0.545 3079 L N -0.421 120.812 121.223 0.017 0.000 2.093 3079 L HA 0.015 4.360 4.340 0.009 0.000 0.208 3079 L C 3.116 180.059 176.870 0.120 0.000 1.085 3079 L CA 0.952 55.858 54.840 0.110 0.000 0.755 3079 L CB -0.187 41.983 42.059 0.186 0.000 0.904 3079 L HN 0.195 nan 8.230 nan 0.000 0.435 3080 R N -1.158 119.384 120.500 0.071 0.000 2.081 3080 R HA -0.153 4.193 4.340 0.009 0.000 0.235 3080 R C 2.130 178.455 176.300 0.043 0.000 1.131 3080 R CA 1.403 57.544 56.100 0.067 0.000 0.960 3080 R CB -0.248 30.072 30.300 0.034 0.000 0.856 3080 R HN 0.201 nan 8.270 nan 0.000 0.436 3081 V N 1.298 121.215 119.914 0.006 0.000 2.407 3081 V HA -0.291 3.834 4.120 0.009 0.000 0.248 3081 V C 2.324 178.397 176.094 -0.034 0.000 1.055 3081 V CA 1.888 64.176 62.300 -0.021 0.000 1.049 3081 V CB -0.453 31.337 31.823 -0.053 0.000 0.662 3081 V HN 0.359 nan 8.190 nan 0.000 0.455 3082 K N 0.541 120.915 120.400 -0.043 0.000 2.002 3082 K HA -0.250 4.075 4.320 0.009 0.000 0.209 3082 K C 2.386 179.015 176.600 0.049 0.000 1.048 3082 K CA 1.991 58.228 56.287 -0.084 0.000 0.930 3082 K CB -0.214 32.240 32.500 -0.077 0.000 0.714 3082 K HN 0.360 nan 8.250 nan 0.000 0.438 3083 R N 1.119 121.734 120.500 0.191 0.000 2.081 3083 R HA -0.157 4.188 4.340 0.009 0.000 0.235 3083 R C 2.242 178.594 176.300 0.086 0.000 1.131 3083 R CA 1.960 58.189 56.100 0.214 0.000 0.960 3083 R CB -0.168 30.239 30.300 0.179 0.000 0.856 3083 R HN 0.119 nan 8.270 nan 0.000 0.436 3084 K N -0.624 119.803 120.400 0.046 0.000 2.147 3084 K HA -0.236 4.089 4.320 0.009 0.000 0.205 3084 K C 1.912 178.499 176.600 -0.022 0.000 1.049 3084 K CA 1.573 57.863 56.287 0.006 0.000 0.936 3084 K CB -0.275 32.229 32.500 0.007 0.000 0.722 3084 K HN 0.327 nan 8.250 nan 0.000 0.446 3085 Y N 0.755 120.961 120.300 -0.158 0.000 2.133 3085 Y HA -0.245 4.310 4.550 0.009 0.000 0.287 3085 Y C 2.157 177.940 175.900 -0.196 0.000 1.134 3085 Y CA 1.781 59.742 58.100 -0.232 0.000 1.133 3085 Y CB -0.308 37.930 38.460 -0.370 0.000 0.987 3085 Y HN 0.193 nan 8.280 nan 0.000 0.502 3086 H N 0.498 119.495 119.070 -0.121 0.000 2.321 3086 H HA -0.133 4.428 4.556 0.008 0.000 0.300 3086 H C 2.044 177.241 175.328 -0.219 0.000 1.087 3086 H CA 1.950 57.895 56.048 -0.171 0.000 1.319 3086 H CB -0.382 29.377 29.762 -0.003 0.000 1.379 3086 H HN 0.572 nan 8.280 nan 0.000 0.501 3087 E N -0.042 120.124 120.200 -0.056 0.000 2.118 3087 E HA -0.117 4.238 4.350 0.009 0.000 0.195 3087 E C 2.072 178.602 176.600 -0.116 0.000 0.992 3087 E CA 1.480 57.825 56.400 -0.092 0.000 0.804 3087 E CB -0.048 29.612 29.700 -0.068 0.000 0.741 3087 E HN 0.369 nan 8.360 nan 0.000 0.458 3088 T N 1.379 115.838 114.554 -0.160 0.000 2.821 3088 T HA -0.099 4.256 4.350 0.009 0.000 0.267 3088 T C 1.833 176.414 174.700 -0.199 0.000 1.046 3088 T CA 0.612 62.609 62.100 -0.172 0.000 1.139 3088 T CB 0.015 68.767 68.868 -0.193 0.000 0.871 3088 T HN 0.066 nan 8.240 nan 0.000 0.454 3089 I N 0.935 121.342 120.570 -0.272 0.000 2.163 3089 I HA -0.062 4.114 4.170 0.009 0.000 0.240 3089 I C 2.267 178.347 176.117 -0.062 0.000 1.081 3089 I CA 1.007 62.193 61.300 -0.190 0.000 1.353 3089 I CB -1.238 36.655 38.000 -0.178 0.000 1.054 3089 I HN 0.202 nan 8.210 nan 0.000 0.407 3090 L N 0.767 121.959 121.223 -0.052 0.000 2.013 3090 L HA -0.199 4.146 4.340 0.009 0.000 0.212 3090 L C 2.699 179.547 176.870 -0.036 0.000 1.073 3090 L CA 1.787 56.609 54.840 -0.031 0.000 0.753 3090 L CB -1.187 40.825 42.059 -0.078 0.000 0.890 3090 L HN 0.251 nan 8.230 nan 0.000 0.432 3091 R N -0.921 119.546 120.500 -0.055 0.000 2.148 3091 R HA -0.115 4.231 4.340 0.009 0.000 0.227 3091 R C 1.992 178.273 176.300 -0.032 0.000 1.103 3091 R CA 0.779 56.852 56.100 -0.044 0.000 0.983 3091 R CB -0.108 30.162 30.300 -0.050 0.000 0.874 3091 R HN 0.431 nan 8.270 nan 0.000 0.451 3092 E N 0.401 120.579 120.200 -0.036 0.000 2.170 3092 E HA 0.016 4.371 4.350 0.009 0.000 0.191 3092 E C 0.491 177.100 176.600 0.014 0.000 0.981 3092 E CA 0.669 57.055 56.400 -0.024 0.000 0.830 3092 E CB 0.309 29.978 29.700 -0.051 0.000 0.775 3092 E HN 0.289 nan 8.360 nan 0.000 0.470 3093 I N 1.181 121.777 120.570 0.043 0.000 2.337 3093 I HA 0.219 4.395 4.170 0.009 0.000 0.285 3093 I C 0.008 176.183 176.117 0.098 0.000 1.041 3093 I CA -0.599 60.770 61.300 0.114 0.000 1.199 3093 I CB 1.095 39.211 38.000 0.193 0.000 1.370 3093 I HN -0.094 nan 8.210 nan 0.000 0.470 3094 A N 5.588 128.451 122.820 0.072 0.000 2.466 3094 A HA -0.073 4.252 4.320 0.009 0.000 0.295 3094 A C 1.295 178.852 177.584 -0.044 0.000 1.465 3094 A CA 0.681 52.721 52.037 0.004 0.000 0.744 3094 A CB -1.481 17.498 19.000 -0.034 0.000 1.098 3094 A HN 2.070 nan 8.150 nan 0.000 0.402 3095 A N -0.680 122.130 122.820 -0.017 0.000 2.799 3095 A HA 0.296 4.621 4.320 0.009 0.000 0.287 3095 A C 1.749 179.305 177.584 -0.046 0.000 1.484 3095 A CA 1.614 53.640 52.037 -0.019 0.000 0.813 3095 A CB -2.049 16.955 19.000 0.007 0.000 1.009 3095 A HN 3.135 nan 8.150 nan 0.000 0.545 3096 G N -2.477 106.286 108.800 -0.060 0.000 2.225 3096 G HA2 -0.177 3.788 3.960 0.009 0.000 0.267 3096 G HA3 -0.177 3.788 3.960 0.009 0.000 0.267 3096 G C 0.849 175.670 174.900 -0.131 0.000 1.024 3096 G CA 0.950 46.003 45.100 -0.078 0.000 0.784 3096 G HN 1.628 nan 8.290 nan 0.000 0.507 3097 S N -1.213 114.352 115.700 -0.225 0.000 2.489 3097 S HA 0.165 4.640 4.470 0.009 0.000 0.228 3097 S C 0.634 175.055 174.600 -0.297 0.000 0.995 3097 S CA 0.538 58.541 58.200 -0.327 0.000 0.934 3097 S CB 0.073 63.067 63.200 -0.343 0.000 0.771 3097 S HN 0.503 nan 8.310 nan 0.000 0.522 3098 Y N 0.770 121.123 120.300 0.089 0.000 2.326 3098 Y HA 0.574 5.129 4.550 0.009 0.000 0.337 3098 Y C 1.247 177.183 175.900 0.060 0.000 1.023 3098 Y CA -1.416 56.764 58.100 0.134 0.000 1.143 3098 Y CB 0.773 39.375 38.460 0.236 0.000 1.183 3098 Y HN 0.022 nan 8.280 nan 0.000 0.485 3099 G N 2.321 111.247 108.800 0.210 0.000 3.159 3099 G HA2 0.059 4.025 3.960 0.009 0.000 0.232 3099 G HA3 0.059 4.025 3.960 0.009 0.000 0.232 3099 G C 0.840 175.819 174.900 0.131 0.000 1.116 3099 G CA -0.198 44.898 45.100 -0.006 0.000 0.767 3099 G HN 0.335 nan 8.290 nan 0.000 0.547 3100 R N 0.483 121.129 120.500 0.243 0.000 2.698 3100 R HA 0.324 4.669 4.340 0.009 0.000 0.422 3100 R C 0.065 176.372 176.300 0.012 0.000 1.073 3100 R CA -0.326 55.893 56.100 0.199 0.000 1.054 3100 R CB -0.111 30.444 30.300 0.425 0.000 1.373 3100 R HN 0.234 nan 8.270 nan 0.000 0.593 3101 L N 0.979 122.116 121.223 -0.143 0.000 2.479 3101 L HA 0.100 4.445 4.340 0.009 0.000 0.270 3101 L C -0.901 175.502 176.870 -0.780 0.000 1.236 3101 L CA -1.345 53.237 54.840 -0.430 0.000 0.823 3101 L CB 0.234 42.030 42.059 -0.437 0.000 1.098 3101 L HN -0.164 nan 8.230 nan 0.000 0.500 3102 P HA -0.182 nan 4.420 nan 0.000 0.216 3102 P C 0.857 177.768 177.300 -0.650 0.000 1.150 3102 P CA 1.287 63.915 63.100 -0.786 0.000 0.837 3102 P CB -0.033 31.248 31.700 -0.699 0.000 0.786 3103 D N -0.365 119.710 120.400 -0.542 0.000 2.219 3103 D HA -0.117 4.529 4.640 0.009 0.000 0.205 3103 D C 1.709 177.838 176.300 -0.286 0.000 0.970 3103 D CA 1.343 55.243 54.000 -0.166 0.000 0.851 3103 D CB -0.883 40.108 40.800 0.318 0.000 0.943 3103 D HN 0.114 nan 8.370 nan 0.000 0.488 3104 A N 1.170 123.629 122.820 -0.601 0.000 1.873 3104 A HA -0.189 4.136 4.320 0.009 0.000 0.215 3104 A C 1.961 179.331 177.584 -0.357 0.000 1.186 3104 A CA 1.973 53.531 52.037 -0.798 0.000 0.616 3104 A CB -0.968 17.530 19.000 -0.835 0.000 0.823 3104 A HN 0.576 nan 8.150 nan 0.000 0.442 3105 H N -2.662 116.336 119.070 -0.119 0.000 2.654 3105 H HA 0.268 4.829 4.556 0.009 0.000 0.264 3105 H C 1.386 176.791 175.328 0.129 0.000 0.954 3105 H CA 0.460 56.497 56.048 -0.018 0.000 1.199 3105 H CB -0.483 29.285 29.762 0.010 0.000 1.446 3105 H HN 0.279 nan 8.280 nan 0.000 0.516 3106 N N 0.583 119.468 118.700 0.308 0.000 2.166 3106 N HA -0.171 4.574 4.740 0.009 0.000 0.186 3106 N C 1.290 177.044 175.510 0.407 0.000 1.019 3106 N CA 1.160 54.469 53.050 0.431 0.000 0.856 3106 N CB -0.546 38.031 38.487 0.150 0.000 0.993 3106 N HN 0.470 nan 8.380 nan 0.000 0.426 3107 Y N 1.495 121.837 120.300 0.071 0.000 2.497 3107 Y HA -0.152 4.403 4.550 0.009 0.000 0.292 3107 Y C 2.219 178.154 175.900 0.057 0.000 1.137 3107 Y CA 1.317 59.413 58.100 -0.008 0.000 1.285 3107 Y CB -0.202 38.136 38.460 -0.205 0.000 0.991 3107 Y HN 0.165 nan 8.280 nan 0.000 0.556 3108 T N -2.993 111.650 114.554 0.147 0.000 2.977 3108 T HA -0.218 4.137 4.350 0.009 0.000 0.271 3108 T C 1.524 176.221 174.700 -0.005 0.000 1.105 3108 T CA 1.087 63.218 62.100 0.052 0.000 1.116 3108 T CB -0.908 67.895 68.868 -0.108 0.000 0.878 3108 T HN 0.297 nan 8.240 nan 0.000 0.509 3109 F N 2.810 122.836 119.950 0.126 0.000 2.365 3109 F HA 0.020 4.552 4.527 0.008 0.000 0.300 3109 F C 2.848 178.687 175.800 0.065 0.000 1.090 3109 F CA 1.360 59.480 58.000 0.200 0.000 1.408 3109 F CB -0.792 38.321 39.000 0.188 0.000 1.060 3109 F HN 0.354 nan 8.300 nan 0.000 0.534 3110 T N -3.958 110.593 114.554 -0.004 0.000 2.977 3110 T HA -0.171 4.184 4.350 0.009 0.000 0.271 3110 T C 1.864 176.574 174.700 0.016 0.000 1.105 3110 T CA 1.611 63.642 62.100 -0.116 0.000 1.116 3110 T CB -0.891 67.659 68.868 -0.531 0.000 0.878 3110 T HN 0.184 nan 8.240 nan 0.000 0.509 3111 T N 1.113 115.681 114.554 0.023 0.000 2.720 3111 T HA -0.083 4.273 4.350 0.009 0.000 0.268 3111 T C 1.382 176.116 174.700 0.056 0.000 1.037 3111 T CA 1.632 63.756 62.100 0.040 0.000 1.144 3111 T CB -0.586 68.239 68.868 -0.072 0.000 0.864 3111 T HN 0.625 nan 8.240 nan 0.000 0.444 3112 Y N 1.253 121.569 120.300 0.025 0.000 2.242 3112 Y HA 0.035 4.589 4.550 0.008 0.000 0.291 3112 Y C 2.749 178.648 175.900 -0.001 0.000 1.137 3112 Y CA 0.627 58.665 58.100 -0.102 0.000 1.181 3112 Y CB -0.514 37.698 38.460 -0.413 0.000 0.989 3112 Y HN 0.189 nan 8.280 nan 0.000 0.527 3113 A N 0.050 122.959 122.820 0.147 0.000 1.969 3113 A HA -0.181 4.144 4.320 0.009 0.000 0.218 3113 A C 1.739 179.408 177.584 0.142 0.000 1.169 3113 A CA 1.811 53.907 52.037 0.099 0.000 0.635 3113 A CB -0.580 18.464 19.000 0.073 0.000 0.810 3113 A HN 0.336 nan 8.150 nan 0.000 0.445 3114 D N -0.397 120.105 120.400 0.169 0.000 2.265 3114 D HA -0.060 4.585 4.640 0.009 0.000 0.208 3114 D C -0.039 176.387 176.300 0.209 0.000 0.977 3114 D CA 1.544 55.657 54.000 0.189 0.000 0.871 3114 D CB 0.082 41.006 40.800 0.207 0.000 0.925 3114 D HN 0.469 nan 8.370 nan 0.000 0.485 3115 D N -2.217 118.331 120.400 0.248 0.000 2.686 3115 D HA 0.033 4.678 4.640 0.009 0.000 0.229 3115 D C -2.392 174.104 176.300 0.327 0.000 1.391 3115 D CA -0.837 53.315 54.000 0.254 0.000 0.948 3115 D CB 0.807 41.763 40.800 0.260 0.000 1.513 3115 D HN -0.151 nan 8.370 nan 0.000 0.522 3116 P HA 0.016 nan 4.420 nan 0.000 0.220 3116 P C 0.992 178.461 177.300 0.280 0.000 1.152 3116 P CA 0.817 64.054 63.100 0.229 0.000 0.812 3116 P CB 0.668 32.338 31.700 -0.050 0.000 0.792 3117 E N -0.228 120.093 120.200 0.203 0.000 2.110 3117 E HA -0.121 4.234 4.350 0.009 0.000 0.193 3117 E C 2.030 178.695 176.600 0.109 0.000 0.988 3117 E CA 0.648 57.138 56.400 0.150 0.000 0.804 3117 E CB -1.524 28.245 29.700 0.116 0.000 0.745 3117 E HN -0.011 nan 8.360 nan 0.000 0.458 3118 V N -0.317 119.635 119.914 0.064 0.000 2.392 3118 V HA -0.257 3.869 4.120 0.009 0.000 0.249 3118 V C 1.335 177.272 176.094 -0.262 0.000 1.059 3118 V CA 1.843 64.069 62.300 -0.124 0.000 1.051 3118 V CB -0.383 31.288 31.823 -0.253 0.000 0.658 3118 V HN 0.422 nan 8.190 nan 0.000 0.455 3119 W N 0.043 121.272 121.300 -0.118 0.000 2.363 3119 W HA -0.072 4.595 4.660 0.011 0.000 0.296 3119 W C 2.602 179.114 176.519 -0.012 0.000 1.212 3119 W CA 1.441 58.736 57.345 -0.084 0.000 1.260 3119 W CB -0.357 29.176 29.460 0.122 0.000 1.131 3119 W HN 0.219 nan 8.180 nan 0.000 0.530 3120 E N 1.079 121.399 120.200 0.200 0.000 2.001 3120 E HA -0.223 4.133 4.350 0.009 0.000 0.195 3120 E C 1.963 178.560 176.600 -0.005 0.000 1.002 3120 E CA 1.944 58.399 56.400 0.092 0.000 0.819 3120 E CB -0.285 29.470 29.700 0.091 0.000 0.769 3120 E HN 0.265 nan 8.360 nan 0.000 0.454 3121 K N 0.583 120.974 120.400 -0.015 0.000 2.442 3121 K HA -0.087 4.239 4.320 0.009 0.000 0.198 3121 K C 1.647 178.208 176.600 -0.065 0.000 1.042 3121 K CA 1.022 57.288 56.287 -0.034 0.000 0.958 3121 K CB 0.068 32.559 32.500 -0.014 0.000 0.766 3121 K HN -0.012 nan 8.250 nan 0.000 0.474 3122 Q N 0.544 120.270 119.800 -0.122 0.000 2.356 3122 Q HA 0.236 4.581 4.340 0.009 0.000 0.205 3122 Q C -0.129 175.814 176.000 -0.095 0.000 0.901 3122 Q CA 0.147 55.880 55.803 -0.117 0.000 0.938 3122 Q CB 0.646 29.229 28.738 -0.258 0.000 1.081 3122 Q HN 0.258 nan 8.270 nan 0.000 0.517 3123 S N 0.884 116.432 115.700 -0.254 0.000 2.568 3123 S HA 0.247 4.722 4.470 0.009 0.000 0.282 3123 S C 0.395 174.885 174.600 -0.183 0.000 1.338 3123 S CA 0.027 57.940 58.200 -0.479 0.000 1.045 3123 S CB 0.549 63.503 63.200 -0.410 0.000 0.873 3123 S HN 0.163 nan 8.310 nan 0.000 0.516 3124 I N 1.560 122.053 120.570 -0.128 0.000 2.410 3124 I HA 0.495 4.670 4.170 0.009 0.000 0.286 3124 I C 0.872 176.989 176.117 -0.001 0.000 1.009 3124 I CA -0.200 61.083 61.300 -0.029 0.000 1.111 3124 I CB 1.369 39.382 38.000 0.021 0.000 1.262 3124 I HN 0.900 nan 8.210 nan 0.000 0.443 3125 G N 4.594 113.397 108.800 0.005 0.000 2.130 3125 G HA2 -0.170 3.796 3.960 0.009 0.000 0.216 3125 G HA3 -0.170 3.796 3.960 0.009 0.000 0.216 3125 G C 0.357 175.292 174.900 0.057 0.000 0.999 3125 G CA 0.087 45.212 45.100 0.041 0.000 0.686 3125 G HN 0.867 nan 8.290 nan 0.000 0.515 3126 A N 0.275 123.082 122.820 -0.023 0.000 2.610 3126 A HA 0.580 4.906 4.320 0.009 0.000 0.291 3126 A C 0.895 178.350 177.584 -0.215 0.000 1.116 3126 A CA 0.823 52.790 52.037 -0.117 0.000 0.963 3126 A CB 0.083 19.069 19.000 -0.023 0.000 1.220 3126 A HN 0.939 nan 8.150 nan 0.000 0.530 3127 E N 0.553 120.662 120.200 -0.152 0.000 2.652 3127 E HA 0.179 4.535 4.350 0.009 0.000 0.255 3127 E C 0.770 177.253 176.600 -0.196 0.000 0.952 3127 E CA 0.746 57.063 56.400 -0.137 0.000 0.947 3127 E CB -0.443 29.204 29.700 -0.089 0.000 0.912 3127 E HN 1.297 nan 8.360 nan 0.000 0.489 3128 G N 4.242 112.945 108.800 -0.161 0.000 2.176 3128 G HA2 -0.283 3.682 3.960 0.009 0.000 0.252 3128 G HA3 -0.283 3.682 3.960 0.009 0.000 0.252 3128 G C 0.473 175.229 174.900 -0.240 0.000 1.024 3128 G CA 0.303 45.304 45.100 -0.164 0.000 0.755 3128 G HN 0.488 nan 8.290 nan 0.000 0.507 3129 R N 0.689 121.021 120.500 -0.280 0.000 2.432 3129 R HA 0.100 4.446 4.340 0.009 0.000 0.260 3129 R C 1.178 177.404 176.300 -0.124 0.000 0.935 3129 R CA 0.250 56.144 56.100 -0.344 0.000 1.080 3129 R CB -0.568 29.360 30.300 -0.621 0.000 1.155 3129 R HN 0.888 nan 8.270 nan 0.000 0.531 3130 N N 1.773 120.433 118.700 -0.066 0.000 2.726 3130 N HA -0.212 4.533 4.740 0.009 0.000 0.287 3130 N C 0.498 176.046 175.510 0.062 0.000 1.052 3130 N CA 0.469 53.524 53.050 0.009 0.000 0.805 3130 N CB -1.307 37.191 38.487 0.019 0.000 0.944 3130 N HN 0.316 nan 8.380 nan 0.000 0.574 3131 L N -0.385 120.887 121.223 0.082 0.000 2.376 3131 L HA -0.073 4.272 4.340 0.009 0.000 0.219 3131 L C 2.256 179.221 176.870 0.159 0.000 1.133 3131 L CA 1.152 56.083 54.840 0.151 0.000 0.816 3131 L CB -0.381 41.787 42.059 0.182 0.000 0.933 3131 L HN 0.351 nan 8.230 nan 0.000 0.449 3132 T N -1.075 113.560 114.554 0.136 0.000 2.737 3132 T HA -0.165 4.190 4.350 0.009 0.000 0.265 3132 T C 1.972 176.791 174.700 0.198 0.000 1.038 3132 T CA 1.022 63.206 62.100 0.141 0.000 1.144 3132 T CB -0.074 68.900 68.868 0.176 0.000 0.866 3132 T HN 0.221 nan 8.240 nan 0.000 0.434 3133 Q N 1.138 121.063 119.800 0.207 0.000 2.170 3133 Q HA -0.023 4.322 4.340 0.009 0.000 0.203 3133 Q C 2.149 178.253 176.000 0.173 0.000 0.976 3133 Q CA 1.190 57.119 55.803 0.210 0.000 0.858 3133 Q CB -0.579 28.233 28.738 0.123 0.000 0.907 3133 Q HN 0.654 nan 8.270 nan 0.000 0.433 3134 N N 0.023 118.819 118.700 0.161 0.000 2.043 3134 N HA -0.152 4.593 4.740 0.009 0.000 0.193 3134 N C 2.000 177.636 175.510 0.211 0.000 1.037 3134 N CA 1.114 54.285 53.050 0.201 0.000 0.851 3134 N CB -0.162 38.465 38.487 0.235 0.000 1.027 3134 N HN 0.189 nan 8.380 nan 0.000 0.422 3135 I N 1.091 121.695 120.570 0.057 0.000 2.091 3135 I HA -0.333 3.842 4.170 0.009 0.000 0.239 3135 I C 2.239 178.239 176.117 -0.196 0.000 1.061 3135 I CA 1.314 62.434 61.300 -0.299 0.000 1.317 3135 I CB -0.631 37.098 38.000 -0.452 0.000 1.031 3135 I HN 0.321 nan 8.210 nan 0.000 0.401 3136 H N 0.874 119.927 119.070 -0.029 0.000 2.353 3136 H HA -0.164 4.396 4.556 0.007 0.000 0.298 3136 H C 2.054 177.359 175.328 -0.039 0.000 1.103 3136 H CA 1.828 57.859 56.048 -0.029 0.000 1.293 3136 H CB -0.688 29.071 29.762 -0.005 0.000 1.372 3136 H HN 0.520 nan 8.280 nan 0.000 0.501 3137 N N -0.091 118.683 118.700 0.124 0.000 2.084 3137 N HA -0.161 4.584 4.740 0.009 0.000 0.190 3137 N C 1.871 177.387 175.510 0.010 0.000 1.030 3137 N CA 0.915 54.005 53.050 0.066 0.000 0.849 3137 N CB -0.224 38.321 38.487 0.096 0.000 1.012 3137 N HN 0.104 nan 8.380 nan 0.000 0.423 3138 F N 2.081 121.966 119.950 -0.107 0.000 2.146 3138 F HA -0.014 4.518 4.527 0.008 0.000 0.298 3138 F C 2.009 177.612 175.800 -0.329 0.000 1.096 3138 F CA 0.896 58.763 58.000 -0.221 0.000 1.275 3138 F CB -0.303 38.603 39.000 -0.157 0.000 1.008 3138 F HN -0.045 nan 8.300 nan 0.000 0.480 3139 L N -0.142 120.908 121.223 -0.288 0.000 2.081 3139 L HA -0.278 4.068 4.340 0.009 0.000 0.212 3139 L C 2.363 179.002 176.870 -0.385 0.000 1.080 3139 L CA 1.457 56.089 54.840 -0.347 0.000 0.754 3139 L CB -0.591 41.371 42.059 -0.163 0.000 0.893 3139 L HN 0.052 nan 8.230 nan 0.000 0.433 3140 K N -0.196 120.033 120.400 -0.284 0.000 2.062 3140 K HA -0.081 4.244 4.320 0.009 0.000 0.205 3140 K C 1.907 178.286 176.600 -0.369 0.000 1.051 3140 K CA 0.931 57.054 56.287 -0.275 0.000 0.941 3140 K CB -0.509 31.897 32.500 -0.158 0.000 0.719 3140 K HN 0.132 nan 8.250 nan 0.000 0.440 3141 L N 0.531 121.514 121.223 -0.400 0.000 1.989 3141 L HA -0.199 4.146 4.340 0.009 0.000 0.211 3141 L C 2.120 178.644 176.870 -0.576 0.000 1.071 3141 L CA 1.404 55.988 54.840 -0.426 0.000 0.749 3141 L CB -0.396 41.412 42.059 -0.418 0.000 0.890 3141 L HN 0.263 nan 8.230 nan 0.000 0.431 3142 L N -0.088 120.594 121.223 -0.901 0.000 1.997 3142 L HA -0.353 3.993 4.340 0.009 0.000 0.216 3142 L C 2.888 179.343 176.870 -0.693 0.000 1.074 3142 L CA 2.152 56.487 54.840 -0.842 0.000 0.763 3142 L CB -0.369 41.104 42.059 -0.976 0.000 0.890 3142 L HN 0.392 nan 8.230 nan 0.000 0.434 3143 R N -0.368 119.581 120.500 -0.919 0.000 2.055 3143 R HA -0.131 4.215 4.340 0.009 0.000 0.226 3143 R C 2.071 177.854 176.300 -0.862 0.000 1.135 3143 R CA 1.387 56.623 56.100 -1.440 0.000 0.959 3143 R CB -0.145 29.466 30.300 -1.148 0.000 0.854 3143 R HN 0.445 nan 8.270 nan 0.000 0.431 3144 E N 0.323 120.205 120.200 -0.530 0.000 2.072 3144 E HA -0.118 4.237 4.350 0.009 0.000 0.191 3144 E C 1.770 178.231 176.600 -0.232 0.000 0.985 3144 E CA 0.796 56.997 56.400 -0.332 0.000 0.801 3144 E CB 0.119 29.671 29.700 -0.246 0.000 0.750 3144 E HN 0.192 nan 8.360 nan 0.000 0.452 3145 K N 0.801 121.068 120.400 -0.223 0.000 2.459 3145 K HA -0.068 4.257 4.320 0.009 0.000 0.193 3145 K C -0.030 176.530 176.600 -0.066 0.000 1.030 3145 K CA 0.307 56.521 56.287 -0.122 0.000 1.026 3145 K CB 0.121 32.562 32.500 -0.097 0.000 0.809 3145 K HN 0.009 nan 8.250 nan 0.000 0.504 3146 D N 1.053 121.399 120.400 -0.090 0.000 2.699 3146 D HA -0.175 4.470 4.640 0.009 0.000 0.239 3146 D C -0.606 175.861 176.300 0.279 0.000 1.136 3146 D CA 0.461 54.561 54.000 0.167 0.000 0.668 3146 D CB -1.333 39.569 40.800 0.171 0.000 1.060 3146 D HN 0.146 nan 8.370 nan 0.000 0.429 3147 L N 0.111 121.463 121.223 0.215 0.000 2.468 3147 L HA 0.327 4.672 4.340 0.009 0.000 0.254 3147 L C 1.326 178.446 176.870 0.417 0.000 1.171 3147 L CA -0.504 54.498 54.840 0.270 0.000 0.809 3147 L CB 0.627 42.782 42.059 0.160 0.000 1.155 3147 L HN 0.143 nan 8.230 nan 0.000 0.473 3148 N N 0.154 119.119 118.700 0.442 0.000 2.479 3148 N HA 0.247 4.992 4.740 0.009 0.000 0.261 3148 N C -1.649 174.151 175.510 0.482 0.000 0.979 3148 N CA -0.446 52.883 53.050 0.465 0.000 0.930 3148 N CB 1.454 40.210 38.487 0.448 0.000 1.172 3148 N HN 0.508 nan 8.380 nan 0.000 0.499 3149 C N 6.466 126.077 119.300 0.519 0.000 2.647 3149 C HA 0.489 4.954 4.460 0.009 0.000 0.273 3149 C C -2.492 172.639 174.990 0.236 0.000 1.088 3149 C CA -1.811 57.504 59.018 0.495 0.000 1.529 3149 C CB -0.439 27.682 27.740 0.635 0.000 1.810 3149 C HN 0.618 nan 8.230 nan 0.000 0.422 3150 P HA 0.187 nan 4.420 nan 0.000 0.270 3150 P C -0.611 176.642 177.300 -0.080 0.000 1.223 3150 P CA 0.161 62.923 63.100 -0.563 0.000 0.785 3150 P CB 0.524 32.150 31.700 -0.123 0.000 0.923 3151 L N 2.350 123.509 121.223 -0.107 0.000 2.349 3151 L HA 0.259 4.604 4.340 0.009 0.000 0.275 3151 L C 0.927 177.930 176.870 0.223 0.000 1.115 3151 L CA 0.477 55.356 54.840 0.065 0.000 0.820 3151 L CB 0.037 42.007 42.059 -0.148 0.000 1.135 3151 L HN 0.406 nan 8.230 nan 0.000 0.445 3152 N N 1.765 120.693 118.700 0.379 0.000 2.765 3152 N HA 0.249 4.994 4.740 0.009 0.000 0.277 3152 N C -0.101 175.613 175.510 0.341 0.000 1.750 3152 N CA -0.091 53.154 53.050 0.326 0.000 0.827 3152 N CB 0.504 39.151 38.487 0.266 0.000 1.200 3152 N HN 0.454 nan 8.380 nan 0.000 0.494 3153 F N -0.077 119.952 119.950 0.132 0.000 2.500 3153 F HA 0.241 4.773 4.527 0.008 0.000 0.285 3153 F C 1.090 176.957 175.800 0.113 0.000 1.088 3153 F CA 0.099 58.176 58.000 0.128 0.000 1.432 3153 F CB 0.226 39.404 39.000 0.298 0.000 1.131 3153 F HN -0.011 nan 8.300 nan 0.000 0.582 3154 V N 2.053 122.170 119.914 0.339 0.000 2.763 3154 V HA -0.006 4.119 4.120 0.009 0.000 0.306 3154 V C -0.147 176.030 176.094 0.139 0.000 1.059 3154 V CA -0.037 62.403 62.300 0.233 0.000 1.138 3154 V CB 0.329 32.318 31.823 0.275 0.000 0.940 3154 V HN 0.043 nan 8.190 nan 0.000 0.489 3155 D N 3.619 124.079 120.400 0.099 0.000 2.299 3155 D HA 0.462 5.108 4.640 0.009 0.000 0.243 3155 D C -2.409 173.920 176.300 0.048 0.000 0.982 3155 D CA -1.384 52.647 54.000 0.051 0.000 0.924 3155 D CB 1.605 42.414 40.800 0.015 0.000 1.238 3155 D HN 0.318 nan 8.370 nan 0.000 0.484 3156 P HA -0.020 nan 4.420 nan 0.000 0.266 3156 P C -0.175 177.133 177.300 0.014 0.000 1.193 3156 P CA 0.099 63.210 63.100 0.018 0.000 0.770 3156 P CB 0.448 32.151 31.700 0.005 0.000 0.836 3157 Q N 0.519 120.327 119.800 0.013 0.000 2.286 3157 Q HA 0.018 4.363 4.340 0.009 0.000 0.290 3157 Q C 0.541 176.537 176.000 -0.007 0.000 1.049 3157 Q CA 0.594 56.403 55.803 0.010 0.000 0.923 3157 Q CB 0.066 28.810 28.738 0.009 0.000 1.183 3157 Q HN 0.408 nan 8.270 nan 0.000 0.383 3158 T N 3.440 117.986 114.554 -0.014 0.000 2.800 3158 T HA -0.013 4.342 4.350 0.009 0.000 0.266 3158 T C -0.545 174.139 174.700 -0.028 0.000 0.939 3158 T CA -0.232 61.852 62.100 -0.026 0.000 1.199 3158 T CB -0.218 68.629 68.868 -0.035 0.000 0.899 3158 T HN 0.316 nan 8.240 nan 0.000 0.555 3159 D N 4.449 124.834 120.400 -0.024 0.000 2.278 3159 D HA 0.208 4.854 4.640 0.009 0.000 0.245 3159 D C 0.551 176.837 176.300 -0.024 0.000 1.052 3159 D CA -0.618 53.367 54.000 -0.024 0.000 0.834 3159 D CB 1.261 42.048 40.800 -0.021 0.000 1.194 3159 D HN 0.632 nan 8.370 nan 0.000 0.481 3160 R N 1.250 121.735 120.500 -0.024 0.000 3.657 3160 R HA 0.280 4.625 4.340 0.009 0.000 0.220 3160 R C -0.086 176.203 176.300 -0.018 0.000 1.548 3160 R CA -0.409 55.679 56.100 -0.021 0.000 1.465 3160 R CB -0.329 29.959 30.300 -0.021 0.000 1.330 3160 R HN 0.056 nan 8.270 nan 0.000 0.707 3161 S N 0.881 116.571 115.700 -0.017 0.000 2.629 3161 S HA -0.030 4.445 4.470 0.009 0.000 0.250 3161 S C 1.363 175.955 174.600 -0.014 0.000 1.318 3161 S CA -0.103 58.088 58.200 -0.016 0.000 0.970 3161 S CB 0.403 63.593 63.200 -0.016 0.000 0.996 3161 S HN 0.597 nan 8.310 nan 0.000 0.563 3162 S N 1.617 117.310 115.700 -0.013 0.000 2.365 3162 S HA -0.129 4.346 4.470 0.009 0.000 0.225 3162 S C 0.290 174.884 174.600 -0.010 0.000 1.039 3162 S CA 1.744 59.937 58.200 -0.011 0.000 1.033 3162 S CB -0.503 62.691 63.200 -0.010 0.000 0.887 3162 S HN 0.840 nan 8.310 nan 0.000 0.447 3163 D N -0.848 119.546 120.400 -0.010 0.000 2.323 3163 D HA 0.513 5.159 4.640 0.009 0.000 0.242 3163 D C -0.471 175.823 176.300 -0.010 0.000 1.347 3163 D CA -0.447 53.547 54.000 -0.009 0.000 0.988 3163 D CB 0.744 41.539 40.800 -0.007 0.000 1.314 3163 D HN 0.071 nan 8.370 nan 0.000 0.564 3164 A N 1.039 123.853 122.820 -0.011 0.000 2.291 3164 A HA 0.540 4.865 4.320 0.009 0.000 0.220 3164 A C 1.327 178.906 177.584 -0.010 0.000 1.262 3164 A CA 0.688 52.717 52.037 -0.012 0.000 0.867 3164 A CB -0.196 18.795 19.000 -0.014 0.000 0.888 3164 A HN 0.688 nan 8.150 nan 0.000 0.487 3165 A N -1.391 121.424 122.820 -0.008 0.000 1.937 3165 A HA 0.238 4.564 4.320 0.009 0.000 0.198 3165 A C 1.782 179.364 177.584 -0.004 0.000 1.635 3165 A CA 0.896 52.930 52.037 -0.005 0.000 1.111 3165 A CB -0.099 18.899 19.000 -0.003 0.000 1.165 3165 A HN 0.404 nan 8.150 nan 0.000 0.460 3166 Q N 0.657 120.455 119.800 -0.005 0.000 2.187 3166 Q HA 0.354 4.699 4.340 0.009 0.000 0.199 3166 Q C 0.626 176.623 176.000 -0.005 0.000 0.957 3166 Q CA 1.491 57.291 55.803 -0.004 0.000 0.857 3166 Q CB -0.167 28.568 28.738 -0.004 0.000 0.929 3166 Q HN 0.615 nan 8.270 nan 0.000 0.453 3167 A N 0.290 123.106 122.820 -0.007 0.000 2.354 3167 A HA 0.723 5.048 4.320 0.009 0.000 0.321 3167 A C -0.889 176.689 177.584 -0.009 0.000 1.125 3167 A CA -0.973 51.059 52.037 -0.008 0.000 0.799 3167 A CB 0.903 19.897 19.000 -0.010 0.000 1.293 3167 A HN 0.443 nan 8.150 nan 0.000 0.452 3168 R N 0.608 121.102 120.500 -0.010 0.000 2.532 3168 R HA 0.647 4.993 4.340 0.009 0.000 0.272 3168 R C 0.150 176.443 176.300 -0.013 0.000 1.032 3168 R CA -0.067 56.026 56.100 -0.010 0.000 1.089 3168 R CB 0.716 31.010 30.300 -0.009 0.000 1.098 3168 R HN 0.666 nan 8.270 nan 0.000 0.526 3169 S N 0.428 116.119 115.700 -0.014 0.000 2.686 3169 S HA 0.321 4.797 4.470 0.009 0.000 0.270 3169 S C -1.859 172.734 174.600 -0.013 0.000 1.194 3169 S CA -1.242 56.949 58.200 -0.015 0.000 0.990 3169 S CB 0.881 64.070 63.200 -0.018 0.000 1.029 3169 S HN 0.587 nan 8.310 nan 0.000 0.560 3170 P HA 0.198 nan 4.420 nan 0.000 0.255 3170 P C -0.379 176.923 177.300 0.002 0.000 1.248 3170 P CA -0.223 62.875 63.100 -0.004 0.000 0.807 3170 P CB -0.179 31.518 31.700 -0.005 0.000 1.150 3171 N N 0.932 119.625 118.700 -0.011 0.000 2.407 3171 N HA -0.018 4.727 4.740 0.009 0.000 0.250 3171 N C -0.004 175.482 175.510 -0.040 0.000 1.236 3171 N CA -0.114 52.922 53.050 -0.024 0.000 0.879 3171 N CB 0.538 39.004 38.487 -0.035 0.000 1.088 3171 N HN 0.010 nan 8.380 nan 0.000 0.450 3172 L N 3.074 124.252 121.223 -0.074 0.000 2.455 3172 L HA 0.101 4.446 4.340 0.009 0.000 0.272 3172 L C 0.489 177.273 176.870 -0.143 0.000 1.174 3172 L CA 0.479 55.230 54.840 -0.147 0.000 0.869 3172 L CB 0.119 41.993 42.059 -0.308 0.000 1.130 3172 L HN 0.602 nan 8.230 nan 0.000 0.474 3173 R N 4.615 125.040 120.500 -0.125 0.000 2.739 3173 R HA 0.533 4.878 4.340 0.009 0.000 0.271 3173 R C -1.263 174.981 176.300 -0.093 0.000 1.010 3173 R CA -0.981 55.063 56.100 -0.093 0.000 0.897 3173 R CB 0.779 31.048 30.300 -0.052 0.000 1.236 3173 R HN 0.551 nan 8.270 nan 0.000 0.466 3174 I N 2.797 123.323 120.570 -0.073 0.000 2.517 3174 I HA 0.009 4.184 4.170 0.009 0.000 0.285 3174 I C 0.961 177.055 176.117 -0.038 0.000 1.106 3174 I CA -0.272 60.988 61.300 -0.066 0.000 1.402 3174 I CB 1.454 39.427 38.000 -0.046 0.000 1.399 3174 I HN 0.461 nan 8.210 nan 0.000 0.535 3175 V N 5.115 125.008 119.914 -0.036 0.000 2.949 3175 V HA 0.109 4.234 4.120 0.009 0.000 0.245 3175 V C 0.645 176.735 176.094 -0.007 0.000 1.086 3175 V CA 0.962 63.252 62.300 -0.017 0.000 1.097 3175 V CB 0.057 31.873 31.823 -0.012 0.000 0.762 3175 V HN 0.844 nan 8.190 nan 0.000 0.470 3176 E N -0.303 119.892 120.200 -0.010 0.000 2.390 3176 E HA 0.466 4.821 4.350 0.009 0.000 0.280 3176 E C -1.466 175.134 176.600 -0.001 0.000 0.992 3176 E CA -0.697 55.706 56.400 0.004 0.000 0.790 3176 E CB 2.360 32.065 29.700 0.008 0.000 1.248 3176 E HN 0.086 nan 8.360 nan 0.000 0.447 3177 K N 1.242 121.660 120.400 0.030 0.000 2.427 3177 K HA 0.478 4.803 4.320 0.009 0.000 0.252 3177 K C -1.022 175.645 176.600 0.111 0.000 0.931 3177 K CA -0.373 55.948 56.287 0.056 0.000 0.793 3177 K CB 1.952 34.525 32.500 0.121 0.000 1.211 3177 K HN 0.636 nan 8.250 nan 0.000 0.426 3178 T N -1.689 112.953 114.554 0.147 0.000 2.773 3178 T HA 0.247 4.602 4.350 0.009 0.000 0.278 3178 T C 0.437 175.371 174.700 0.390 0.000 1.011 3178 T CA -0.558 61.657 62.100 0.193 0.000 1.014 3178 T CB 1.220 70.157 68.868 0.114 0.000 1.293 3178 T HN 0.456 nan 8.240 nan 0.000 0.554 3179 D N -0.784 119.797 120.400 0.303 0.000 2.347 3179 D HA 0.048 4.693 4.640 0.009 0.000 0.215 3179 D C 1.060 177.644 176.300 0.473 0.000 0.976 3179 D CA 0.667 54.871 54.000 0.341 0.000 0.884 3179 D CB 0.015 40.915 40.800 0.168 0.000 0.915 3179 D HN 0.476 nan 8.370 nan 0.000 0.526 3180 D N -0.960 119.685 120.400 0.408 0.000 2.324 3180 D HA 0.220 4.865 4.640 0.009 0.000 0.212 3180 D C 1.228 177.745 176.300 0.362 0.000 0.984 3180 D CA 0.911 55.162 54.000 0.419 0.000 0.885 3180 D CB 1.071 42.022 40.800 0.251 0.000 0.996 3180 D HN 0.313 nan 8.370 nan 0.000 0.505 3181 G N 0.544 109.264 108.800 -0.134 0.000 2.552 3181 G HA2 0.362 4.327 3.960 0.009 0.000 0.137 3181 G HA3 0.362 4.327 3.960 0.009 0.000 0.137 3181 G C -1.552 172.727 174.900 -1.035 0.000 1.135 3181 G CA -0.194 44.178 45.100 -1.214 0.000 1.047 3181 G HN 0.144 nan 8.290 nan 0.000 0.501 3182 I N -1.620 118.495 120.570 -0.758 0.000 2.865 3182 I HA 0.803 4.978 4.170 0.009 0.000 0.302 3182 I C -1.285 174.720 176.117 -0.187 0.000 1.140 3182 I CA -1.442 59.594 61.300 -0.440 0.000 1.021 3182 I CB 2.430 40.118 38.000 -0.520 0.000 1.233 3182 I HN 0.423 nan 8.210 nan 0.000 0.427 3183 I N 4.967 125.494 120.570 -0.073 0.000 2.378 3183 I HA 0.501 4.677 4.170 0.009 0.000 0.291 3183 I C -0.243 175.838 176.117 -0.060 0.000 0.992 3183 I CA -1.053 60.241 61.300 -0.010 0.000 1.154 3183 I CB 1.909 39.933 38.000 0.040 0.000 1.315 3183 I HN 0.501 nan 8.210 nan 0.000 0.448 3184 V N 2.949 122.821 119.914 -0.069 0.000 2.715 3184 V HA 0.617 4.742 4.120 0.009 0.000 0.310 3184 V C -0.682 175.394 176.094 -0.031 0.000 1.054 3184 V CA -0.536 61.702 62.300 -0.103 0.000 0.928 3184 V CB 1.911 33.595 31.823 -0.232 0.000 1.007 3184 V HN 0.858 nan 8.190 nan 0.000 0.437 3185 N N 1.446 120.125 118.700 -0.033 0.000 2.310 3185 N HA 0.711 5.456 4.740 0.009 0.000 0.292 3185 N C -0.274 175.248 175.510 0.019 0.000 1.049 3185 N CA 0.454 53.521 53.050 0.029 0.000 0.849 3185 N CB 2.406 40.905 38.487 0.020 0.000 1.532 3185 N HN 1.474 nan 8.380 nan 0.000 0.479 3186 G N 0.653 109.510 108.800 0.094 0.000 2.302 3186 G HA2 0.081 4.047 3.960 0.009 0.000 0.276 3186 G HA3 0.081 4.047 3.960 0.009 0.000 0.276 3186 G C -1.998 173.033 174.900 0.217 0.000 1.316 3186 G CA -0.615 44.536 45.100 0.086 0.000 0.988 3186 G HN 0.445 nan 8.290 nan 0.000 0.479 3187 V N 0.842 120.852 119.914 0.161 0.000 2.789 3187 V HA 0.700 4.826 4.120 0.009 0.000 0.311 3187 V C -0.721 175.489 176.094 0.194 0.000 1.073 3187 V CA -1.131 61.301 62.300 0.220 0.000 0.921 3187 V CB 2.013 33.899 31.823 0.105 0.000 1.009 3187 V HN 0.668 nan 8.190 nan 0.000 0.426 3188 K N 2.787 123.366 120.400 0.299 0.000 2.213 3188 K HA 0.804 5.129 4.320 0.009 0.000 0.270 3188 K C -0.142 176.540 176.600 0.138 0.000 1.002 3188 K CA -0.157 56.252 56.287 0.204 0.000 0.868 3188 K CB 1.969 34.639 32.500 0.283 0.000 1.093 3188 K HN 0.857 nan 8.250 nan 0.000 0.454 3189 A N 1.230 124.108 122.820 0.097 0.000 2.294 3189 A HA 0.495 4.820 4.320 0.009 0.000 0.330 3189 A C -0.007 177.604 177.584 0.045 0.000 1.133 3189 A CA -0.606 51.464 52.037 0.055 0.000 0.836 3189 A CB 0.578 19.599 19.000 0.034 0.000 1.190 3189 A HN 0.517 nan 8.150 nan 0.000 0.492 3190 V N -0.022 119.876 119.914 -0.027 0.000 5.726 3190 V HA -0.209 3.916 4.120 0.009 0.000 0.260 3190 V C 0.914 177.000 176.094 -0.014 0.000 0.657 3190 V CA 0.766 62.999 62.300 -0.112 0.000 0.584 3190 V CB -2.325 29.324 31.823 -0.290 0.000 0.241 3190 V HN 1.470 nan 8.190 nan 0.000 0.652 3191 G N 0.722 109.541 108.800 0.030 0.000 2.425 3191 G HA2 0.629 4.594 3.960 0.009 0.000 0.302 3191 G HA3 0.629 4.594 3.960 0.009 0.000 0.302 3191 G C -0.221 174.703 174.900 0.039 0.000 1.159 3191 G CA -0.146 45.004 45.100 0.083 0.000 0.865 3191 G HN 0.459 nan 8.290 nan 0.000 0.515 3192 T N 0.089 114.687 114.554 0.073 0.000 2.809 3192 T HA 0.523 4.878 4.350 0.009 0.000 0.284 3192 T C 1.000 175.779 174.700 0.131 0.000 0.992 3192 T CA 0.738 62.863 62.100 0.041 0.000 0.957 3192 T CB 1.286 70.155 68.868 0.001 0.000 0.942 3192 T HN 1.718 nan 8.240 nan 0.000 0.439 3193 G N 2.964 111.861 108.800 0.162 0.000 2.148 3193 G HA2 -0.257 3.708 3.960 0.009 0.000 0.254 3193 G HA3 -0.257 3.708 3.960 0.009 0.000 0.254 3193 G C 1.052 176.193 174.900 0.402 0.000 0.981 3193 G CA 0.011 45.317 45.100 0.344 0.000 0.670 3193 G HN 0.650 nan 8.290 nan 0.000 0.528 3194 I N 1.048 121.766 120.570 0.247 0.000 2.194 3194 I HA -0.195 3.980 4.170 0.009 0.000 0.246 3194 I C 3.095 179.302 176.117 0.149 0.000 1.093 3194 I CA 2.119 63.524 61.300 0.175 0.000 1.355 3194 I CB -1.580 36.480 38.000 0.099 0.000 1.046 3194 I HN 0.494 nan 8.210 nan 0.000 0.413 3195 A N -0.633 122.246 122.820 0.098 0.000 2.216 3195 A HA -0.098 4.228 4.320 0.009 0.000 0.214 3195 A C 1.757 179.180 177.584 -0.269 0.000 1.160 3195 A CA 0.973 52.918 52.037 -0.153 0.000 0.725 3195 A CB -0.818 17.987 19.000 -0.325 0.000 0.784 3195 A HN 0.405 nan 8.150 nan 0.000 0.472 3196 F N -0.980 119.090 119.950 0.200 0.000 2.682 3196 F HA 0.314 4.846 4.527 0.009 0.000 0.308 3196 F C 1.472 177.488 175.800 0.360 0.000 1.093 3196 F CA -0.125 58.056 58.000 0.302 0.000 1.244 3196 F CB 0.271 39.517 39.000 0.409 0.000 1.052 3196 F HN 0.188 nan 8.300 nan 0.000 0.573 3197 G N -0.085 108.957 108.800 0.403 0.000 2.451 3197 G HA2 0.246 4.212 3.960 0.009 0.000 0.303 3197 G HA3 0.246 4.212 3.960 0.009 0.000 0.303 3197 G C -0.248 174.839 174.900 0.311 0.000 1.166 3197 G CA -0.299 45.033 45.100 0.387 0.000 0.884 3197 G HN 0.125 nan 8.290 nan 0.000 0.514 3198 D N -1.115 119.504 120.400 0.365 0.000 2.162 3198 D HA 0.081 4.726 4.640 0.009 0.000 0.205 3198 D C -0.202 176.238 176.300 0.233 0.000 0.964 3198 D CA 1.253 55.429 54.000 0.293 0.000 0.847 3198 D CB 0.120 41.153 40.800 0.390 0.000 0.988 3198 D HN 0.340 nan 8.370 nan 0.000 0.480 3199 Y N -0.481 119.963 120.300 0.240 0.000 2.602 3199 Y HA 0.443 4.999 4.550 0.009 0.000 0.342 3199 Y C -0.349 175.692 175.900 0.236 0.000 1.029 3199 Y CA -1.467 56.772 58.100 0.231 0.000 1.080 3199 Y CB 1.425 40.083 38.460 0.331 0.000 1.284 3199 Y HN -0.240 nan 8.280 nan 0.000 0.485 3200 M N 1.377 121.191 119.600 0.356 0.000 2.364 3200 M HA 0.483 4.968 4.480 0.009 0.000 0.334 3200 M C -1.404 175.139 176.300 0.404 0.000 1.107 3200 M CA -0.762 54.735 55.300 0.328 0.000 0.988 3200 M CB 1.742 34.484 32.600 0.237 0.000 1.673 3200 M HN 0.642 nan 8.290 nan 0.000 0.441 3201 H N 5.062 124.340 119.070 0.347 0.000 2.908 3201 H HA 0.480 5.040 4.556 0.008 0.000 0.269 3201 H C -1.191 174.339 175.328 0.337 0.000 1.303 3201 H CA -0.780 55.520 56.048 0.421 0.000 1.341 3201 H CB -0.112 29.918 29.762 0.446 0.000 1.519 3201 H HN 0.799 nan 8.280 nan 0.000 0.505 3202 I N 4.310 125.123 120.570 0.406 0.000 2.441 3202 I HA 0.361 4.536 4.170 0.009 0.000 0.287 3202 I C 1.117 177.026 176.117 -0.347 0.000 1.049 3202 I CA 0.292 61.602 61.300 0.017 0.000 1.381 3202 I CB 1.220 39.158 38.000 -0.103 0.000 1.409 3202 I HN 0.641 nan 8.210 nan 0.000 0.523 3203 G N 4.615 112.753 108.800 -1.103 0.000 2.606 3203 G HA2 0.633 4.598 3.960 0.009 0.000 0.300 3203 G HA3 0.633 4.598 3.960 0.009 0.000 0.300 3203 G C -1.598 172.363 174.900 -1.565 0.000 1.360 3203 G CA -0.512 43.297 45.100 -2.152 0.000 0.783 3203 G HN 0.880 nan 8.290 nan 0.000 0.484 3204 C N -1.082 117.512 119.300 -1.177 0.000 3.288 3204 C HA 0.887 5.353 4.460 0.009 0.000 0.318 3204 C C -0.760 174.314 174.990 0.140 0.000 1.356 3204 C CA -1.095 57.727 59.018 -0.328 0.000 1.359 3204 C CB 0.493 28.056 27.740 -0.295 0.000 1.688 3204 C HN 0.843 nan 8.230 nan 0.000 0.467 3205 L N 1.514 122.851 121.223 0.189 0.000 2.334 3205 L HA 0.498 4.843 4.340 0.009 0.000 0.272 3205 L C -0.149 176.830 176.870 0.183 0.000 1.020 3205 L CA -0.694 54.290 54.840 0.240 0.000 0.812 3205 L CB 1.033 43.182 42.059 0.151 0.000 1.264 3205 L HN 0.852 nan 8.230 nan 0.000 0.439 3206 Y N 2.556 122.925 120.300 0.116 0.000 2.550 3206 Y HA 0.255 4.812 4.550 0.011 0.000 0.343 3206 Y C 0.126 176.059 175.900 0.055 0.000 1.245 3206 Y CA 0.042 58.193 58.100 0.084 0.000 1.462 3206 Y CB 0.529 39.031 38.460 0.070 0.000 1.340 3206 Y HN 0.577 nan 8.280 nan 0.000 0.604 3207 R N 6.286 126.097 120.500 -1.148 0.000 2.536 3207 R HA 0.363 4.708 4.340 0.009 0.000 0.269 3207 R C -3.259 172.425 176.300 -1.027 0.000 1.113 3207 R CA -2.009 53.612 56.100 -0.799 0.000 0.948 3207 R CB 1.763 31.866 30.300 -0.329 0.000 1.237 3207 R HN 0.396 nan 8.270 nan 0.000 0.441 3208 P HA 0.011 nan 4.420 nan 0.000 0.255 3208 P C 0.243 177.454 177.300 -0.147 0.000 1.161 3208 P CA 1.872 64.864 63.100 -0.180 0.000 0.768 3208 P CB 0.525 32.219 31.700 -0.011 0.000 0.746 3209 G N 3.465 112.229 108.800 -0.060 0.000 2.160 3209 G HA2 -0.279 3.686 3.960 0.009 0.000 0.244 3209 G HA3 -0.279 3.686 3.960 0.009 0.000 0.244 3209 G C 0.147 175.017 174.900 -0.051 0.000 1.022 3209 G CA -0.410 44.679 45.100 -0.018 0.000 0.741 3209 G HN 0.627 nan 8.290 nan 0.000 0.508 3210 I N 1.392 121.899 120.570 -0.106 0.000 2.533 3210 I HA 0.347 4.522 4.170 0.009 0.000 0.284 3210 I C -1.468 174.656 176.117 0.011 0.000 1.109 3210 I CA -2.140 59.117 61.300 -0.071 0.000 1.412 3210 I CB 0.979 38.909 38.000 -0.117 0.000 1.396 3210 I HN -0.044 nan 8.210 nan 0.000 0.543 3211 P HA 0.152 nan 4.420 nan 0.000 0.271 3211 P C 0.592 177.927 177.300 0.057 0.000 1.216 3211 P CA -0.241 62.878 63.100 0.033 0.000 0.776 3211 P CB 0.925 32.634 31.700 0.014 0.000 0.881 3212 G N 2.409 111.255 108.800 0.077 0.000 2.450 3212 G HA2 -0.265 3.700 3.960 0.009 0.000 0.220 3212 G HA3 -0.265 3.700 3.960 0.009 0.000 0.220 3212 G C 0.954 175.905 174.900 0.085 0.000 1.130 3212 G CA 0.520 45.684 45.100 0.106 0.000 0.760 3212 G HN 0.688 nan 8.290 nan 0.000 0.557 3213 E N 0.050 120.279 120.200 0.049 0.000 2.333 3213 E HA -0.107 4.249 4.350 0.009 0.000 0.198 3213 E C 2.075 178.673 176.600 -0.003 0.000 1.007 3213 E CA 0.801 57.215 56.400 0.023 0.000 0.845 3213 E CB -0.169 29.537 29.700 0.010 0.000 0.766 3213 E HN 0.514 nan 8.360 nan 0.000 0.507 3214 Q N 0.566 120.366 119.800 0.001 0.000 2.384 3214 Q HA 0.111 4.456 4.340 0.009 0.000 0.207 3214 Q C -0.130 175.846 176.000 -0.041 0.000 0.904 3214 Q CA -0.012 55.768 55.803 -0.038 0.000 0.933 3214 Q CB 1.043 29.757 28.738 -0.039 0.000 1.077 3214 Q HN 0.102 nan 8.270 nan 0.000 0.522 3215 V N 2.689 122.630 119.914 0.044 0.000 2.370 3215 V HA 0.206 4.331 4.120 0.009 0.000 0.257 3215 V C -0.224 175.952 176.094 0.136 0.000 1.064 3215 V CA 0.425 62.795 62.300 0.115 0.000 0.975 3215 V CB -0.048 31.951 31.823 0.293 0.000 1.067 3215 V HN 0.156 nan 8.190 nan 0.000 0.485 3216 I N 5.588 126.099 120.570 -0.099 0.000 2.512 3216 I HA 0.498 4.673 4.170 0.009 0.000 0.287 3216 I C -1.120 174.797 176.117 -0.333 0.000 1.069 3216 I CA -0.263 60.982 61.300 -0.091 0.000 1.056 3216 I CB 2.087 39.968 38.000 -0.200 0.000 1.229 3216 I HN 0.309 nan 8.210 nan 0.000 0.429 3217 F N 4.936 124.967 119.950 0.134 0.000 2.477 3217 F HA 0.863 5.397 4.527 0.012 0.000 0.335 3217 F C 0.301 176.084 175.800 -0.029 0.000 1.130 3217 F CA -0.420 57.683 58.000 0.171 0.000 0.948 3217 F CB 2.050 41.324 39.000 0.457 0.000 1.154 3217 F HN 0.526 nan 8.300 nan 0.000 0.439 3218 A N 1.854 124.655 122.820 -0.033 0.000 2.564 3218 A HA 0.939 5.264 4.320 0.009 0.000 0.291 3218 A C -1.947 175.399 177.584 -0.397 0.000 1.102 3218 A CA -0.602 51.077 52.037 -0.596 0.000 0.660 3218 A CB 1.186 19.931 19.000 -0.425 0.000 1.283 3218 A HN 1.144 nan 8.150 nan 0.000 0.430 3219 A N 0.767 123.203 122.820 -0.639 0.000 2.411 3219 A HA 0.694 5.019 4.320 0.009 0.000 0.285 3219 A C -0.532 177.016 177.584 -0.060 0.000 1.129 3219 A CA -0.125 51.721 52.037 -0.318 0.000 0.736 3219 A CB 0.091 18.516 19.000 -0.959 0.000 1.186 3219 A HN 1.961 nan 8.150 nan 0.000 0.445 3220 I N -0.241 120.405 120.570 0.127 0.000 2.689 3220 I HA 0.751 4.926 4.170 0.009 0.000 0.299 3220 I C -2.972 173.061 176.117 -0.139 0.000 1.059 3220 I CA -3.126 58.205 61.300 0.052 0.000 1.055 3220 I CB 2.426 40.404 38.000 -0.037 0.000 1.243 3220 I HN 0.207 nan 8.210 nan 0.000 0.425 3221 P HA 0.089 nan 4.420 nan 0.000 0.267 3221 P C 0.419 177.568 177.300 -0.251 0.000 1.200 3221 P CA 0.071 62.778 63.100 -0.655 0.000 0.772 3221 P CB 0.593 31.990 31.700 -0.505 0.000 0.855 3222 T N 0.615 115.066 114.554 -0.173 0.000 2.867 3222 T HA -0.148 4.208 4.350 0.009 0.000 0.268 3222 T C 1.119 175.753 174.700 -0.110 0.000 1.057 3222 T CA 1.711 63.759 62.100 -0.086 0.000 1.136 3222 T CB -0.923 67.923 68.868 -0.037 0.000 0.874 3222 T HN 0.652 nan 8.240 nan 0.000 0.466 3223 N N 0.938 119.566 118.700 -0.119 0.000 2.362 3223 N HA 0.012 4.757 4.740 0.009 0.000 0.204 3223 N C -0.382 175.074 175.510 -0.090 0.000 1.166 3223 N CA -0.217 52.772 53.050 -0.103 0.000 0.831 3223 N CB -0.088 38.345 38.487 -0.090 0.000 1.008 3223 N HN 0.003 nan 8.380 nan 0.000 0.472 3224 T N 3.230 117.727 114.554 -0.094 0.000 2.866 3224 T HA 0.053 4.409 4.350 0.009 0.000 0.293 3224 T C -2.279 172.395 174.700 -0.043 0.000 1.005 3224 T CA -0.495 61.569 62.100 -0.060 0.000 1.162 3224 T CB 0.701 69.540 68.868 -0.048 0.000 0.968 3224 T HN 0.207 nan 8.240 nan 0.000 0.530 3225 P HA 0.201 nan 4.420 nan 0.000 0.265 3225 P C 1.035 178.332 177.300 -0.005 0.000 1.193 3225 P CA 0.722 63.815 63.100 -0.012 0.000 0.765 3225 P CB 0.307 32.013 31.700 0.009 0.000 0.823 3226 G N 1.010 109.795 108.800 -0.025 0.000 2.195 3226 G HA2 -0.195 3.770 3.960 0.009 0.000 0.246 3226 G HA3 -0.195 3.770 3.960 0.009 0.000 0.246 3226 G C -0.038 174.815 174.900 -0.078 0.000 0.984 3226 G CA -0.176 44.911 45.100 -0.021 0.000 0.633 3226 G HN 0.532 nan 8.290 nan 0.000 0.525 3227 V N 1.761 121.594 119.914 -0.135 0.000 2.407 3227 V HA 0.678 4.804 4.120 0.009 0.000 0.278 3227 V C 0.290 176.205 176.094 -0.298 0.000 1.037 3227 V CA 0.238 62.366 62.300 -0.287 0.000 0.900 3227 V CB 1.598 33.252 31.823 -0.282 0.000 0.983 3227 V HN 0.284 nan 8.190 nan 0.000 0.459 3228 T N 4.260 118.578 114.554 -0.392 0.000 2.841 3228 T HA 0.443 4.798 4.350 0.009 0.000 0.285 3228 T C -0.454 173.902 174.700 -0.573 0.000 0.991 3228 T CA -0.387 61.419 62.100 -0.490 0.000 0.966 3228 T CB 1.638 70.143 68.868 -0.605 0.000 0.962 3228 T HN 0.301 nan 8.240 nan 0.000 0.438 3229 V N 4.538 124.153 119.914 -0.498 0.000 2.348 3229 V HA 0.394 4.519 4.120 0.009 0.000 0.270 3229 V C -0.727 175.139 176.094 -0.380 0.000 1.037 3229 V CA -0.638 61.458 62.300 -0.341 0.000 0.872 3229 V CB -0.198 31.508 31.823 -0.195 0.000 1.002 3229 V HN 0.764 nan 8.190 nan 0.000 0.464 3230 F N 3.703 123.594 119.950 -0.099 0.000 2.350 3230 F HA 0.413 4.945 4.527 0.009 0.000 0.365 3230 F C 0.729 176.516 175.800 -0.022 0.000 1.122 3230 F CA -0.414 57.543 58.000 -0.071 0.000 1.139 3230 F CB 0.656 39.551 39.000 -0.174 0.000 1.220 3230 F HN 0.376 nan 8.300 nan 0.000 0.499 3231 C N 3.655 123.062 119.300 0.178 0.000 2.405 3231 C HA 0.559 5.024 4.460 0.009 0.000 0.365 3231 C C 0.779 175.837 174.990 0.113 0.000 1.233 3231 C CA -1.226 57.860 59.018 0.113 0.000 2.230 3231 C CB 0.704 28.498 27.740 0.089 0.000 2.443 3231 C HN 0.869 nan 8.230 nan 0.000 0.556 3232 R N 1.992 122.528 120.500 0.060 0.000 2.863 3232 R HA 0.227 4.572 4.340 0.009 0.000 0.273 3232 R C 0.174 176.511 176.300 0.062 0.000 1.057 3232 R CA -0.118 56.008 56.100 0.043 0.000 1.191 3232 R CB 0.313 30.613 30.300 0.000 0.000 1.104 3232 R HN 0.844 nan 8.270 nan 0.000 0.519 3233 E N 0.932 121.167 120.200 0.058 0.000 2.398 3233 E HA 0.041 4.396 4.350 0.009 0.000 0.263 3233 E C -0.704 175.936 176.600 0.067 0.000 1.046 3233 E CA -0.531 55.909 56.400 0.066 0.000 0.908 3233 E CB 0.912 30.647 29.700 0.059 0.000 0.963 3233 E HN 0.490 nan 8.360 nan 0.000 0.431 3234 S N 0.979 116.730 115.700 0.084 0.000 2.565 3234 S HA 0.102 4.577 4.470 0.009 0.000 0.274 3234 S C 0.675 175.332 174.600 0.096 0.000 1.309 3234 S CA -0.049 58.212 58.200 0.102 0.000 1.043 3234 S CB 0.760 64.037 63.200 0.129 0.000 0.939 3234 S HN 0.661 nan 8.310 nan 0.000 0.504 3235 T N 1.505 116.132 114.554 0.121 0.000 3.129 3235 T HA 0.222 4.577 4.350 0.009 0.000 0.267 3235 T C 0.441 175.203 174.700 0.103 0.000 1.018 3235 T CA -0.279 61.892 62.100 0.118 0.000 0.903 3235 T CB -0.100 68.862 68.868 0.157 0.000 1.067 3235 T HN 0.424 nan 8.240 nan 0.000 0.549 3236 V N 2.619 122.589 119.914 0.093 0.000 2.763 3236 V HA 0.290 4.416 4.120 0.009 0.000 0.306 3236 V C -0.153 175.912 176.094 -0.050 0.000 1.059 3236 V CA -0.256 62.051 62.300 0.012 0.000 1.138 3236 V CB 0.313 32.173 31.823 0.061 0.000 0.940 3236 V HN 0.316 nan 8.190 nan 0.000 0.489 3237 K N 4.991 125.310 120.400 -0.134 0.000 2.098 3237 K HA 0.392 4.717 4.320 0.009 0.000 0.261 3237 K C 0.358 176.927 176.600 -0.052 0.000 0.987 3237 K CA -0.557 55.648 56.287 -0.137 0.000 0.916 3237 K CB 0.880 33.214 32.500 -0.277 0.000 1.039 3237 K HN 0.701 nan 8.250 nan 0.000 0.455 3238 N N 0.695 119.385 118.700 -0.015 0.000 2.353 3238 N HA -0.062 4.684 4.740 0.009 0.000 0.185 3238 N C -0.587 174.934 175.510 0.018 0.000 1.098 3238 N CA 0.409 53.462 53.050 0.004 0.000 0.872 3238 N CB 0.384 38.875 38.487 0.008 0.000 0.970 3238 N HN 0.477 nan 8.380 nan 0.000 0.467 3239 D N 0.465 120.894 120.400 0.048 0.000 2.438 3239 D HA 0.266 4.911 4.640 0.009 0.000 0.257 3239 D C -1.965 174.358 176.300 0.038 0.000 1.148 3239 D CA -2.105 51.923 54.000 0.046 0.000 0.902 3239 D CB 1.832 42.668 40.800 0.061 0.000 1.062 3239 D HN -0.115 nan 8.370 nan 0.000 0.518 3240 P HA -0.073 nan 4.420 nan 0.000 0.219 3240 P C 1.065 178.336 177.300 -0.049 0.000 1.146 3240 P CA 0.874 63.960 63.100 -0.023 0.000 0.808 3240 P CB 0.344 32.029 31.700 -0.026 0.000 0.779 3241 A N -0.053 122.733 122.820 -0.057 0.000 1.969 3241 A HA -0.157 4.168 4.320 0.009 0.000 0.218 3241 A C 2.015 179.514 177.584 -0.141 0.000 1.169 3241 A CA 1.410 53.393 52.037 -0.090 0.000 0.635 3241 A CB -0.670 18.284 19.000 -0.077 0.000 0.810 3241 A HN 0.084 nan 8.150 nan 0.000 0.445 3242 E N -0.751 119.348 120.200 -0.168 0.000 2.415 3242 E HA 0.058 4.414 4.350 0.009 0.000 0.197 3242 E C -0.322 175.926 176.600 -0.585 0.000 1.007 3242 E CA 0.373 56.564 56.400 -0.348 0.000 0.890 3242 E CB 0.147 29.633 29.700 -0.356 0.000 0.891 3242 E HN 0.687 nan 8.360 nan 0.000 0.496 3243 H N 0.695 119.709 119.070 -0.094 0.000 2.488 3243 H HA 0.164 4.725 4.556 0.009 0.000 0.237 3243 H C -1.871 173.360 175.328 -0.162 0.000 1.395 3243 H CA -1.513 54.460 56.048 -0.126 0.000 1.491 3243 H CB 1.426 31.107 29.762 -0.135 0.000 1.567 3243 H HN -0.054 nan 8.280 nan 0.000 0.508 3244 P HA -0.104 nan 4.420 nan 0.000 0.221 3244 P C 1.146 178.364 177.300 -0.136 0.000 1.145 3244 P CA 0.842 63.887 63.100 -0.092 0.000 0.795 3244 P CB 0.910 32.559 31.700 -0.085 0.000 0.775 3245 L N -1.292 119.799 121.223 -0.222 0.000 2.519 3245 L HA 0.264 4.609 4.340 0.009 0.000 0.194 3245 L C 2.561 178.882 176.870 -0.914 0.000 1.072 3245 L CA 0.813 55.400 54.840 -0.422 0.000 0.845 3245 L CB -1.059 40.805 42.059 -0.324 0.000 1.138 3245 L HN -0.227 nan 8.230 nan 0.000 0.487 3246 A N 0.302 122.510 122.820 -1.021 0.000 2.178 3246 A HA -0.145 4.180 4.320 0.009 0.000 0.218 3246 A C 2.218 179.364 177.584 -0.730 0.000 1.157 3246 A CA 1.656 52.891 52.037 -1.338 0.000 0.689 3246 A CB -0.530 18.093 19.000 -0.628 0.000 0.787 3246 A HN 0.510 nan 8.150 nan 0.000 0.465 3247 S N -1.416 114.039 115.700 -0.408 0.000 2.575 3247 S HA 0.038 4.514 4.470 0.009 0.000 0.215 3247 S C 1.400 175.924 174.600 -0.126 0.000 0.966 3247 S CA 0.344 58.426 58.200 -0.196 0.000 0.911 3247 S CB -0.103 63.045 63.200 -0.087 0.000 0.780 3247 S HN 0.665 nan 8.310 nan 0.000 0.514 3248 Q N 0.983 120.687 119.800 -0.160 0.000 2.424 3248 Q HA 0.366 4.711 4.340 0.009 0.000 0.204 3248 Q C 0.662 176.765 176.000 0.172 0.000 0.933 3248 Q CA 0.372 56.189 55.803 0.023 0.000 0.929 3248 Q CB 0.449 29.224 28.738 0.061 0.000 1.037 3248 Q HN 0.737 nan 8.270 nan 0.000 0.511 3249 G N 1.094 109.999 108.800 0.175 0.000 2.326 3249 G HA2 -0.063 3.903 3.960 0.009 0.000 0.478 3249 G HA3 -0.063 3.903 3.960 0.009 0.000 0.478 3249 G C -2.160 173.018 174.900 0.464 0.000 1.551 3249 G CA -0.944 44.333 45.100 0.296 0.000 0.946 3249 G HN -0.006 nan 8.290 nan 0.000 0.671 3250 D N 0.491 121.075 120.400 0.305 0.000 2.414 3250 D HA 0.360 5.005 4.640 0.009 0.000 0.232 3250 D C 0.279 176.446 176.300 -0.221 0.000 1.070 3250 D CA -0.462 53.691 54.000 0.256 0.000 0.839 3250 D CB 1.493 42.437 40.800 0.239 0.000 1.079 3250 D HN 0.467 nan 8.370 nan 0.000 0.521 3251 E N 4.866 124.805 120.200 -0.436 0.000 1.833 3251 E HA 0.063 4.418 4.350 0.009 0.000 0.258 3251 E C 0.112 176.440 176.600 -0.454 0.000 1.257 3251 E CA -0.226 55.577 56.400 -0.996 0.000 1.003 3251 E CB 0.016 29.418 29.700 -0.496 0.000 1.068 3251 E HN 0.504 nan 8.360 nan 0.000 0.422 3252 L N 3.485 124.533 121.223 -0.293 0.000 2.483 3252 L HA 0.071 4.417 4.340 0.009 0.000 0.275 3252 L C 0.459 177.292 176.870 -0.062 0.000 1.220 3252 L CA 0.292 55.105 54.840 -0.046 0.000 0.833 3252 L CB 0.385 42.541 42.059 0.162 0.000 1.102 3252 L HN 0.470 nan 8.230 nan 0.000 0.490 3253 D N 0.820 121.173 120.400 -0.078 0.000 2.252 3253 D HA 0.538 5.183 4.640 0.009 0.000 0.245 3253 D C -0.596 175.686 176.300 -0.030 0.000 1.009 3253 D CA -0.193 53.750 54.000 -0.095 0.000 0.870 3253 D CB 2.154 42.837 40.800 -0.195 0.000 1.251 3253 D HN 0.558 nan 8.370 nan 0.000 0.460 3254 S N -0.408 115.285 115.700 -0.012 0.000 2.651 3254 S HA 0.636 5.111 4.470 0.009 0.000 0.279 3254 S C -0.697 173.917 174.600 0.023 0.000 1.148 3254 S CA -0.749 57.464 58.200 0.022 0.000 0.837 3254 S CB 1.902 65.123 63.200 0.035 0.000 1.138 3254 S HN 0.210 nan 8.310 nan 0.000 0.478 3255 T N 2.224 116.811 114.554 0.056 0.000 2.779 3255 T HA 0.604 4.959 4.350 0.009 0.000 0.280 3255 T C -0.758 173.984 174.700 0.069 0.000 0.987 3255 T CA -0.305 61.832 62.100 0.062 0.000 0.966 3255 T CB 1.238 70.138 68.868 0.052 0.000 0.933 3255 T HN 0.690 nan 8.240 nan 0.000 0.442 3256 T N 3.327 117.898 114.554 0.028 0.000 2.749 3256 T HA 0.454 4.809 4.350 0.009 0.000 0.287 3256 T C 0.055 174.660 174.700 -0.157 0.000 0.970 3256 T CA -0.519 61.504 62.100 -0.129 0.000 0.980 3256 T CB 0.828 69.580 68.868 -0.194 0.000 0.924 3256 T HN 0.299 nan 8.240 nan 0.000 0.456 3257 V N 4.575 124.353 119.914 -0.227 0.000 2.394 3257 V HA 0.436 4.561 4.120 0.009 0.000 0.282 3257 V C -0.682 175.210 176.094 -0.337 0.000 1.031 3257 V CA -0.766 61.465 62.300 -0.116 0.000 0.881 3257 V CB 0.546 32.402 31.823 0.055 0.000 0.982 3257 V HN 0.780 nan 8.190 nan 0.000 0.451 3258 F N 2.682 122.624 119.950 -0.013 0.000 2.293 3258 F HA 0.394 4.927 4.527 0.010 0.000 0.370 3258 F C 0.556 176.344 175.800 -0.020 0.000 1.090 3258 F CA -0.801 57.182 58.000 -0.027 0.000 1.133 3258 F CB 0.796 39.773 39.000 -0.039 0.000 1.360 3258 F HN 0.418 nan 8.300 nan 0.000 0.489 3259 D N 4.777 125.230 120.400 0.088 0.000 2.453 3259 D HA 0.042 4.688 4.640 0.009 0.000 0.223 3259 D C 0.008 176.346 176.300 0.063 0.000 1.183 3259 D CA 0.118 54.154 54.000 0.060 0.000 0.933 3259 D CB 0.195 41.008 40.800 0.023 0.000 1.038 3259 D HN 0.439 nan 8.370 nan 0.000 0.513 3260 N N 0.994 119.735 118.700 0.069 0.000 2.688 3260 N HA -0.170 4.575 4.740 0.009 0.000 0.258 3260 N C -0.466 175.089 175.510 0.076 0.000 1.016 3260 N CA 0.355 53.438 53.050 0.055 0.000 0.747 3260 N CB -0.906 37.602 38.487 0.034 0.000 0.895 3260 N HN 0.219 nan 8.380 nan 0.000 0.543 3261 V N 1.260 121.236 119.914 0.103 0.000 2.530 3261 V HA 0.196 4.322 4.120 0.009 0.000 0.282 3261 V C 0.634 176.787 176.094 0.098 0.000 1.048 3261 V CA -0.473 61.897 62.300 0.116 0.000 0.997 3261 V CB 0.718 32.656 31.823 0.192 0.000 0.987 3261 V HN 0.298 nan 8.190 nan 0.000 0.477 3262 F N 6.670 126.595 119.950 -0.041 0.000 2.411 3262 F HA 0.591 5.123 4.527 0.009 0.000 0.355 3262 F C -0.028 175.711 175.800 -0.102 0.000 1.117 3262 F CA -0.507 57.441 58.000 -0.086 0.000 1.139 3262 F CB 0.534 39.488 39.000 -0.077 0.000 1.120 3262 F HN 0.337 nan 8.300 nan 0.000 0.493 3263 I N 8.629 128.687 120.570 -0.853 0.000 2.330 3263 I HA 0.314 4.489 4.170 0.009 0.000 0.289 3263 I C -2.270 173.094 176.117 -1.255 0.000 1.001 3263 I CA -2.348 58.440 61.300 -0.853 0.000 1.193 3263 I CB 1.156 38.849 38.000 -0.512 0.000 1.345 3263 I HN 0.441 nan 8.210 nan 0.000 0.461 3264 P HA -0.060 nan 4.420 nan 0.000 0.266 3264 P C 0.225 177.320 177.300 -0.342 0.000 1.195 3264 P CA 0.123 62.851 63.100 -0.621 0.000 0.768 3264 P CB 0.435 32.008 31.700 -0.212 0.000 0.838 3265 W N 1.951 123.173 121.300 -0.129 0.000 2.331 3265 W HA -0.201 4.465 4.660 0.010 0.000 0.291 3265 W C 2.100 178.570 176.519 -0.083 0.000 1.214 3265 W CA 0.969 58.264 57.345 -0.083 0.000 1.228 3265 W CB -0.355 29.097 29.460 -0.014 0.000 1.135 3265 W HN 0.459 nan 8.180 nan 0.000 0.537 3266 E N 0.426 120.719 120.200 0.155 0.000 2.516 3266 E HA -0.174 4.181 4.350 0.009 0.000 0.199 3266 E C 1.038 177.647 176.600 0.016 0.000 1.069 3266 E CA 0.998 57.460 56.400 0.104 0.000 0.876 3266 E CB -0.487 29.275 29.700 0.103 0.000 0.843 3266 E HN 0.491 nan 8.360 nan 0.000 0.530 3267 Q N 0.600 120.337 119.800 -0.105 0.000 2.194 3267 Q HA 0.231 4.577 4.340 0.009 0.000 0.214 3267 Q C -0.365 175.295 176.000 -0.567 0.000 0.838 3267 Q CA -0.176 55.456 55.803 -0.285 0.000 0.972 3267 Q CB 1.662 30.260 28.738 -0.232 0.000 1.131 3267 Q HN 0.016 nan 8.270 nan 0.000 0.498 3268 V N 1.050 120.758 119.914 -0.344 0.000 2.472 3268 V HA 0.189 4.314 4.120 0.009 0.000 0.290 3268 V C -0.012 175.988 176.094 -0.157 0.000 1.037 3268 V CA -0.166 61.949 62.300 -0.307 0.000 0.908 3268 V CB 0.918 32.737 31.823 -0.006 0.000 0.985 3268 V HN 0.194 nan 8.190 nan 0.000 0.454 3269 F N 1.497 121.494 119.950 0.078 0.000 2.602 3269 F HA 0.371 4.903 4.527 0.009 0.000 0.284 3269 F C 0.871 176.857 175.800 0.310 0.000 1.111 3269 F CA 0.212 58.248 58.000 0.061 0.000 1.405 3269 F CB 0.077 38.962 39.000 -0.192 0.000 1.121 3269 F HN 0.573 nan 8.300 nan 0.000 0.603 3270 H N -0.076 119.261 119.070 0.447 0.000 3.094 3270 H HA 0.527 5.087 4.556 0.007 0.000 0.335 3270 H C -1.584 173.981 175.328 0.396 0.000 1.254 3270 H CA -1.242 55.066 56.048 0.434 0.000 1.240 3270 H CB 1.931 32.043 29.762 0.583 0.000 1.936 3270 H HN 0.066 nan 8.280 nan 0.000 0.536 3271 I N -0.455 120.102 120.570 -0.021 0.000 2.827 3271 I HA 0.632 4.807 4.170 0.009 0.000 0.298 3271 I C 0.708 176.843 176.117 0.029 0.000 1.235 3271 I CA -0.179 61.224 61.300 0.172 0.000 1.021 3271 I CB 2.248 40.322 38.000 0.123 0.000 1.259 3271 I HN 0.734 nan 8.210 nan 0.000 0.427 3272 G N 3.343 112.278 108.800 0.226 0.000 2.217 3272 G HA2 -0.268 3.697 3.960 0.009 0.000 0.246 3272 G HA3 -0.268 3.697 3.960 0.009 0.000 0.246 3272 G C -0.128 174.909 174.900 0.228 0.000 0.990 3272 G CA 0.327 45.527 45.100 0.166 0.000 0.627 3272 G HN 0.895 nan 8.290 nan 0.000 0.522 3273 N N 1.117 120.071 118.700 0.423 0.000 2.621 3273 N HA 0.537 5.283 4.740 0.009 0.000 0.237 3273 N C -1.103 174.609 175.510 0.336 0.000 0.997 3273 N CA -2.196 51.066 53.050 0.353 0.000 0.918 3273 N CB 1.834 40.544 38.487 0.371 0.000 1.122 3273 N HN -0.008 nan 8.380 nan 0.000 0.510 3274 P HA -0.136 nan 4.420 nan 0.000 0.216 3274 P C 0.875 178.329 177.300 0.257 0.000 1.150 3274 P CA 1.142 64.419 63.100 0.296 0.000 0.843 3274 P CB 0.507 32.370 31.700 0.271 0.000 0.787 3275 E N -1.536 118.765 120.200 0.169 0.000 2.153 3275 E HA -0.224 4.131 4.350 0.009 0.000 0.194 3275 E C 2.004 178.651 176.600 0.078 0.000 0.988 3275 E CA 1.256 57.699 56.400 0.071 0.000 0.811 3275 E CB -0.902 28.838 29.700 0.067 0.000 0.746 3275 E HN 0.460 nan 8.360 nan 0.000 0.466 3276 H N 0.421 119.505 119.070 0.023 0.000 2.428 3276 H HA 0.090 4.650 4.556 0.007 0.000 0.296 3276 H C 1.621 176.923 175.328 -0.043 0.000 1.062 3276 H CA 1.483 57.477 56.048 -0.089 0.000 1.350 3276 H CB 0.039 29.640 29.762 -0.268 0.000 1.403 3276 H HN 0.118 nan 8.280 nan 0.000 0.533 3277 A N 0.150 123.040 122.820 0.116 0.000 2.235 3277 A HA -0.010 4.315 4.320 0.009 0.000 0.208 3277 A C 1.990 179.692 177.584 0.198 0.000 1.172 3277 A CA 0.549 52.727 52.037 0.236 0.000 0.786 3277 A CB -0.250 18.994 19.000 0.407 0.000 0.804 3277 A HN 0.401 nan 8.150 nan 0.000 0.479 3278 K N -0.880 119.533 120.400 0.022 0.000 2.228 3278 K HA 0.011 4.336 4.320 0.009 0.000 0.202 3278 K C 0.847 177.390 176.600 -0.095 0.000 1.051 3278 K CA 1.237 57.446 56.287 -0.130 0.000 0.960 3278 K CB 0.021 32.296 32.500 -0.376 0.000 0.743 3278 K HN 0.538 nan 8.250 nan 0.000 0.458 3279 L N -3.940 117.208 121.223 -0.125 0.000 2.854 3279 L HA 0.206 4.552 4.340 0.009 0.000 0.249 3279 L C 1.500 178.199 176.870 -0.286 0.000 1.091 3279 L CA 0.379 55.089 54.840 -0.217 0.000 0.935 3279 L CB -0.816 41.054 42.059 -0.315 0.000 1.367 3279 L HN -0.106 nan 8.230 nan 0.000 0.524 3280 Y N 1.316 121.435 120.300 -0.302 0.000 2.314 3280 Y HA 0.120 4.673 4.550 0.005 0.000 0.294 3280 Y C -0.340 175.575 175.900 0.025 0.000 1.119 3280 Y CA 1.068 58.981 58.100 -0.310 0.000 1.179 3280 Y CB -1.463 36.417 38.460 -0.968 0.000 1.025 3280 Y HN 0.161 nan 8.280 nan 0.000 0.541 3281 P HA -0.148 nan 4.420 nan 0.000 0.220 3281 P C 0.986 178.512 177.300 0.378 0.000 1.148 3281 P CA 1.478 64.904 63.100 0.543 0.000 0.803 3281 P CB 0.084 32.184 31.700 0.667 0.000 0.782 3282 Q N -0.840 119.088 119.800 0.212 0.000 2.119 3282 Q HA -0.069 4.276 4.340 0.009 0.000 0.201 3282 Q C 2.204 178.284 176.000 0.132 0.000 0.972 3282 Q CA 1.232 57.125 55.803 0.151 0.000 0.847 3282 Q CB -0.596 28.181 28.738 0.065 0.000 0.903 3282 Q HN 0.161 nan 8.270 nan 0.000 0.433 3283 R N 0.139 120.686 120.500 0.079 0.000 2.120 3283 R HA -0.050 4.295 4.340 0.009 0.000 0.234 3283 R C 2.153 178.501 176.300 0.081 0.000 1.123 3283 R CA 1.000 57.135 56.100 0.058 0.000 0.975 3283 R CB -0.578 29.738 30.300 0.026 0.000 0.866 3283 R HN 0.373 nan 8.270 nan 0.000 0.446 3284 I N -0.239 120.391 120.570 0.099 0.000 2.315 3284 I HA -0.228 3.948 4.170 0.009 0.000 0.248 3284 I C 1.561 177.575 176.117 -0.171 0.000 1.117 3284 I CA 1.236 62.511 61.300 -0.042 0.000 1.404 3284 I CB -0.176 37.764 38.000 -0.099 0.000 1.071 3284 I HN -0.024 nan 8.210 nan 0.000 0.419 3285 F N 0.715 120.546 119.950 -0.199 0.000 2.780 3285 F HA -0.081 4.450 4.527 0.008 0.000 0.299 3285 F C 1.918 177.481 175.800 -0.394 0.000 1.146 3285 F CA 0.506 58.281 58.000 -0.375 0.000 1.428 3285 F CB -0.379 38.326 39.000 -0.492 0.000 1.115 3285 F HN 0.046 nan 8.300 nan 0.000 0.583 3286 D N -0.312 120.084 120.400 -0.008 0.000 2.106 3286 D HA -0.250 4.396 4.640 0.009 0.000 0.191 3286 D C 1.998 178.262 176.300 -0.060 0.000 0.997 3286 D CA 1.625 55.638 54.000 0.022 0.000 0.834 3286 D CB -0.535 40.214 40.800 -0.086 0.000 0.956 3286 D HN 0.336 nan 8.370 nan 0.000 0.448 3287 W N 0.577 121.902 121.300 0.041 0.000 2.402 3287 W HA -0.067 4.597 4.660 0.007 0.000 0.286 3287 W C 2.432 178.969 176.519 0.030 0.000 1.221 3287 W CA 0.287 57.677 57.345 0.075 0.000 1.257 3287 W CB -0.456 29.119 29.460 0.191 0.000 1.120 3287 W HN -0.151 nan 8.180 nan 0.000 0.551 3288 V N 0.061 120.059 119.914 0.139 0.000 2.427 3288 V HA -0.291 3.834 4.120 0.009 0.000 0.248 3288 V C 2.304 178.475 176.094 0.128 0.000 1.051 3288 V CA 2.021 64.355 62.300 0.056 0.000 1.048 3288 V CB -0.566 31.205 31.823 -0.087 0.000 0.666 3288 V HN 0.154 nan 8.190 nan 0.000 0.456 3289 H N -1.146 117.987 119.070 0.105 0.000 2.353 3289 H HA -0.163 4.398 4.556 0.009 0.000 0.300 3289 H C 2.013 177.240 175.328 -0.168 0.000 1.090 3289 H CA 2.078 58.157 56.048 0.053 0.000 1.327 3289 H CB -0.731 29.160 29.762 0.215 0.000 1.383 3289 H HN 0.720 nan 8.280 nan 0.000 0.508 3290 Y N 0.659 120.723 120.300 -0.393 0.000 2.145 3290 Y HA -0.283 4.273 4.550 0.010 0.000 0.286 3290 Y C 2.950 178.710 175.900 -0.232 0.000 1.145 3290 Y CA 2.053 59.793 58.100 -0.599 0.000 1.148 3290 Y CB -0.272 37.836 38.460 -0.586 0.000 0.981 3290 Y HN 0.262 nan 8.280 nan 0.000 0.507 3291 H N 0.066 118.949 119.070 -0.313 0.000 2.387 3291 H HA -0.174 4.387 4.556 0.009 0.000 0.299 3291 H C 2.034 177.151 175.328 -0.351 0.000 1.090 3291 H CA 2.358 58.151 56.048 -0.425 0.000 1.332 3291 H CB -0.335 29.232 29.762 -0.324 0.000 1.386 3291 H HN 0.443 nan 8.280 nan 0.000 0.516 3292 I N -0.464 120.019 120.570 -0.144 0.000 2.163 3292 I HA -0.264 3.911 4.170 0.009 0.000 0.243 3292 I C 2.264 178.188 176.117 -0.321 0.000 1.085 3292 I CA 1.056 62.237 61.300 -0.199 0.000 1.347 3292 I CB -0.257 37.700 38.000 -0.072 0.000 1.044 3292 I HN 0.305 nan 8.210 nan 0.000 0.408 3293 L N 1.060 122.108 121.223 -0.290 0.000 2.012 3293 L HA -0.214 4.132 4.340 0.009 0.000 0.210 3293 L C 2.345 179.007 176.870 -0.347 0.000 1.073 3293 L CA 1.846 56.520 54.840 -0.276 0.000 0.748 3293 L CB -0.479 41.484 42.059 -0.162 0.000 0.891 3293 L HN 0.125 nan 8.230 nan 0.000 0.431 3294 I N -0.802 119.483 120.570 -0.476 0.000 2.194 3294 I HA -0.379 3.796 4.170 0.009 0.000 0.246 3294 I C 2.723 178.608 176.117 -0.386 0.000 1.093 3294 I CA 1.692 62.720 61.300 -0.454 0.000 1.355 3294 I CB -0.397 37.237 38.000 -0.610 0.000 1.046 3294 I HN 0.309 nan 8.210 nan 0.000 0.413 3295 R N 0.556 120.779 120.500 -0.461 0.000 2.115 3295 R HA -0.172 4.173 4.340 0.009 0.000 0.230 3295 R C 2.307 178.407 176.300 -0.333 0.000 1.111 3295 R CA 1.292 57.167 56.100 -0.375 0.000 0.976 3295 R CB -0.008 30.061 30.300 -0.385 0.000 0.870 3295 R HN 0.446 nan 8.270 nan 0.000 0.445 3296 Q N -0.633 118.906 119.800 -0.434 0.000 2.123 3296 Q HA -0.090 4.256 4.340 0.009 0.000 0.199 3296 Q C 2.076 177.951 176.000 -0.209 0.000 0.966 3296 Q CA 1.432 56.879 55.803 -0.593 0.000 0.845 3296 Q CB 0.232 28.428 28.738 -0.903 0.000 0.907 3296 Q HN 0.185 nan 8.270 nan 0.000 0.439 3297 V N 0.760 120.578 119.914 -0.161 0.000 2.343 3297 V HA -0.244 3.881 4.120 0.009 0.000 0.247 3297 V C 2.106 178.243 176.094 0.072 0.000 1.051 3297 V CA 1.189 63.462 62.300 -0.045 0.000 1.036 3297 V CB -0.440 31.329 31.823 -0.089 0.000 0.654 3297 V HN 0.282 nan 8.190 nan 0.000 0.451 3298 L N 0.069 121.283 121.223 -0.015 0.000 2.012 3298 L HA -0.164 4.181 4.340 0.009 0.000 0.210 3298 L C 2.595 179.495 176.870 0.049 0.000 1.073 3298 L CA 1.939 56.781 54.840 0.003 0.000 0.748 3298 L CB -1.152 40.867 42.059 -0.067 0.000 0.891 3298 L HN 0.290 nan 8.230 nan 0.000 0.431 3299 R N 0.046 120.578 120.500 0.053 0.000 2.091 3299 R HA -0.107 4.238 4.340 0.009 0.000 0.238 3299 R C 2.129 178.593 176.300 0.273 0.000 1.136 3299 R CA 1.719 57.910 56.100 0.152 0.000 0.959 3299 R CB -0.904 29.507 30.300 0.186 0.000 0.856 3299 R HN 0.359 nan 8.270 nan 0.000 0.437 3300 A N 0.462 123.489 122.820 0.345 0.000 1.933 3300 A HA -0.193 4.132 4.320 0.009 0.000 0.218 3300 A C 2.137 179.860 177.584 0.231 0.000 1.175 3300 A CA 1.739 54.012 52.037 0.393 0.000 0.628 3300 A CB -0.624 18.549 19.000 0.289 0.000 0.814 3300 A HN 0.613 nan 8.150 nan 0.000 0.444 3301 E N -0.333 119.936 120.200 0.115 0.000 2.106 3301 E HA -0.133 4.222 4.350 0.009 0.000 0.192 3301 E C 1.969 178.546 176.600 -0.040 0.000 0.984 3301 E CA 0.780 57.090 56.400 -0.150 0.000 0.806 3301 E CB -0.188 29.411 29.700 -0.169 0.000 0.750 3301 E HN 0.583 nan 8.360 nan 0.000 0.458 3302 L N 0.878 122.123 121.223 0.036 0.000 2.012 3302 L HA -0.204 4.141 4.340 0.009 0.000 0.210 3302 L C 2.434 179.353 176.870 0.082 0.000 1.073 3302 L CA 1.386 56.256 54.840 0.050 0.000 0.748 3302 L CB -0.281 41.816 42.059 0.065 0.000 0.891 3302 L HN 0.297 nan 8.230 nan 0.000 0.431 3303 I N -1.112 119.542 120.570 0.141 0.000 2.226 3303 I HA -0.294 3.881 4.170 0.009 0.000 0.245 3303 I C 2.469 178.656 176.117 0.116 0.000 1.100 3303 I CA 1.004 62.408 61.300 0.173 0.000 1.374 3303 I CB -0.322 37.828 38.000 0.250 0.000 1.057 3303 I HN 0.059 nan 8.210 nan 0.000 0.413 3304 V N 1.116 121.086 119.914 0.093 0.000 2.332 3304 V HA -0.266 3.859 4.120 0.009 0.000 0.248 3304 V C 2.580 178.692 176.094 0.031 0.000 1.055 3304 V CA 2.314 64.647 62.300 0.054 0.000 1.038 3304 V CB -1.469 30.358 31.823 0.006 0.000 0.651 3304 V HN 0.602 nan 8.190 nan 0.000 0.450 3305 G N -0.543 108.266 108.800 0.015 0.000 2.422 3305 G HA2 -0.182 3.783 3.960 0.009 0.000 0.218 3305 G HA3 -0.182 3.783 3.960 0.009 0.000 0.218 3305 G C 1.578 176.495 174.900 0.029 0.000 1.146 3305 G CA 0.811 45.918 45.100 0.012 0.000 0.769 3305 G HN 0.468 nan 8.290 nan 0.000 0.547 3306 L N 0.590 121.841 121.223 0.046 0.000 2.046 3306 L HA -0.051 4.295 4.340 0.009 0.000 0.208 3306 L C 3.401 180.300 176.870 0.048 0.000 1.077 3306 L CA 1.019 55.891 54.840 0.052 0.000 0.747 3306 L CB -0.411 41.696 42.059 0.080 0.000 0.896 3306 L HN 0.306 nan 8.230 nan 0.000 0.432 3307 A N 0.248 123.098 122.820 0.050 0.000 1.902 3307 A HA -0.162 4.163 4.320 0.009 0.000 0.217 3307 A C 2.211 179.817 177.584 0.037 0.000 1.181 3307 A CA 1.442 53.503 52.037 0.040 0.000 0.623 3307 A CB -0.601 18.423 19.000 0.039 0.000 0.818 3307 A HN 0.346 nan 8.150 nan 0.000 0.443 3308 I N -0.453 120.138 120.570 0.036 0.000 2.252 3308 I HA -0.233 3.942 4.170 0.009 0.000 0.245 3308 I C 2.389 178.531 176.117 0.042 0.000 1.102 3308 I CA 0.933 62.254 61.300 0.034 0.000 1.385 3308 I CB -0.269 37.747 38.000 0.027 0.000 1.064 3308 I HN 0.301 nan 8.210 nan 0.000 0.414 3309 L N -0.086 121.163 121.223 0.043 0.000 1.994 3309 L HA -0.227 4.118 4.340 0.009 0.000 0.208 3309 L C 2.587 179.503 176.870 0.078 0.000 1.071 3309 L CA 1.242 56.114 54.840 0.055 0.000 0.745 3309 L CB -0.433 41.648 42.059 0.036 0.000 0.892 3309 L HN 0.215 nan 8.230 nan 0.000 0.431 3310 I N -0.030 120.574 120.570 0.058 0.000 2.252 3310 I HA -0.262 3.913 4.170 0.009 0.000 0.245 3310 I C 2.642 178.811 176.117 0.087 0.000 1.102 3310 I CA 2.053 63.392 61.300 0.065 0.000 1.385 3310 I CB -0.298 37.724 38.000 0.037 0.000 1.064 3310 I HN 0.386 nan 8.210 nan 0.000 0.414 3311 T N -2.868 111.724 114.554 0.063 0.000 2.904 3311 T HA -0.104 4.251 4.350 0.009 0.000 0.267 3311 T C 1.760 176.496 174.700 0.060 0.000 1.059 3311 T CA 1.290 63.422 62.100 0.054 0.000 1.137 3311 T CB -0.501 68.388 68.868 0.036 0.000 0.879 3311 T HN 0.451 nan 8.240 nan 0.000 0.467 3312 E N 0.128 120.368 120.200 0.067 0.000 2.112 3312 E HA -0.088 4.267 4.350 0.009 0.000 0.190 3312 E C 2.101 178.740 176.600 0.066 0.000 0.979 3312 E CA 0.881 57.314 56.400 0.056 0.000 0.814 3312 E CB -0.192 29.537 29.700 0.050 0.000 0.762 3312 E HN 0.712 nan 8.360 nan 0.000 0.460 3313 H N 0.522 119.607 119.070 0.025 0.000 2.387 3313 H HA -0.031 4.530 4.556 0.009 0.000 0.299 3313 H C 1.902 177.252 175.328 0.036 0.000 1.090 3313 H CA 1.475 57.542 56.048 0.031 0.000 1.332 3313 H CB 0.138 29.920 29.762 0.033 0.000 1.386 3313 H HN 0.061 nan 8.280 nan 0.000 0.516 3314 I N -1.225 119.444 120.570 0.165 0.000 2.406 3314 I HA 0.011 4.186 4.170 0.009 0.000 0.249 3314 I C 1.697 177.838 176.117 0.041 0.000 1.122 3314 I CA 1.008 62.374 61.300 0.110 0.000 1.431 3314 I CB 0.169 38.230 38.000 0.102 0.000 1.087 3314 I HN 0.590 nan 8.210 nan 0.000 0.424 3315 G N 0.927 109.745 108.800 0.031 0.000 2.138 3315 G HA2 -0.220 3.745 3.960 0.009 0.000 0.193 3315 G HA3 -0.220 3.745 3.960 0.009 0.000 0.193 3315 G C 0.753 175.664 174.900 0.018 0.000 0.998 3315 G CA 0.402 45.510 45.100 0.012 0.000 0.668 3315 G HN 0.350 nan 8.290 nan 0.000 0.516 3316 T N -1.427 113.142 114.554 0.025 0.000 3.086 3316 T HA 0.306 4.661 4.350 0.009 0.000 0.250 3316 T C 2.455 177.167 174.700 0.020 0.000 1.074 3316 T CA 1.374 63.487 62.100 0.021 0.000 0.988 3316 T CB 0.171 69.052 68.868 0.022 0.000 0.988 3316 T HN 1.098 nan 8.240 nan 0.000 0.530 3317 S N 2.438 118.151 115.700 0.022 0.000 2.442 3317 S HA -0.150 4.325 4.470 0.009 0.000 0.236 3317 S C 1.787 176.398 174.600 0.018 0.000 1.007 3317 S CA 0.770 58.983 58.200 0.022 0.000 0.965 3317 S CB -0.372 62.843 63.200 0.025 0.000 0.773 3317 S HN 0.647 nan 8.310 nan 0.000 0.504 3318 K N 0.466 120.875 120.400 0.015 0.000 2.356 3318 K HA 0.383 4.709 4.320 0.009 0.000 0.195 3318 K C 0.067 176.675 176.600 0.013 0.000 1.037 3318 K CA -0.277 56.018 56.287 0.013 0.000 1.014 3318 K CB -0.984 31.523 32.500 0.011 0.000 0.815 3318 K HN 0.247 nan 8.250 nan 0.000 0.507 3319 L N 3.418 124.649 121.223 0.013 0.000 2.559 3319 L HA 0.090 4.436 4.340 0.009 0.000 0.274 3319 L C -1.518 175.360 176.870 0.013 0.000 1.205 3319 L CA -1.434 53.413 54.840 0.012 0.000 0.907 3319 L CB 0.320 42.386 42.059 0.012 0.000 1.153 3319 L HN 0.042 nan 8.230 nan 0.000 0.490 3320 P HA -0.131 nan 4.420 nan 0.000 0.218 3320 P C 1.403 178.711 177.300 0.014 0.000 1.148 3320 P CA 1.357 64.465 63.100 0.013 0.000 0.822 3320 P CB 0.068 31.775 31.700 0.012 0.000 0.784 3321 T N -4.269 110.293 114.554 0.013 0.000 3.023 3321 T HA -0.014 4.341 4.350 0.009 0.000 0.266 3321 T C 1.706 176.413 174.700 0.013 0.000 1.093 3321 T CA 0.739 62.847 62.100 0.013 0.000 1.129 3321 T CB -1.159 67.716 68.868 0.011 0.000 0.899 3321 T HN -0.106 nan 8.240 nan 0.000 0.491 3322 V N 1.683 121.605 119.914 0.013 0.000 2.379 3322 V HA -0.065 4.061 4.120 0.009 0.000 0.243 3322 V C 2.997 179.102 176.094 0.017 0.000 1.035 3322 V CA 1.637 63.945 62.300 0.013 0.000 1.035 3322 V CB -0.751 31.080 31.823 0.013 0.000 0.673 3322 V HN 0.491 nan 8.190 nan 0.000 0.457 3323 S N 1.232 116.943 115.700 0.019 0.000 2.374 3323 S HA -0.265 4.210 4.470 0.009 0.000 0.227 3323 S C 2.194 176.810 174.600 0.026 0.000 1.037 3323 S CA 1.654 59.867 58.200 0.022 0.000 1.024 3323 S CB -0.598 62.614 63.200 0.021 0.000 0.861 3323 S HN 0.648 nan 8.310 nan 0.000 0.456 3324 A N 1.780 124.614 122.820 0.023 0.000 1.930 3324 A HA -0.077 4.249 4.320 0.009 0.000 0.217 3324 A C 2.206 179.808 177.584 0.029 0.000 1.175 3324 A CA 1.268 53.320 52.037 0.026 0.000 0.627 3324 A CB -0.424 18.590 19.000 0.022 0.000 0.815 3324 A HN 0.437 nan 8.150 nan 0.000 0.443 3325 R N -0.755 119.760 120.500 0.025 0.000 2.092 3325 R HA -0.044 4.301 4.340 0.009 0.000 0.231 3325 R C 1.946 178.264 176.300 0.030 0.000 1.119 3325 R CA 1.348 57.463 56.100 0.024 0.000 0.970 3325 R CB -0.456 29.851 30.300 0.011 0.000 0.864 3325 R HN 0.374 nan 8.270 nan 0.000 0.440 3326 V N 1.005 120.938 119.914 0.031 0.000 2.427 3326 V HA -0.196 3.929 4.120 0.009 0.000 0.248 3326 V C 2.395 178.523 176.094 0.056 0.000 1.051 3326 V CA 1.794 64.118 62.300 0.040 0.000 1.048 3326 V CB -0.637 31.207 31.823 0.035 0.000 0.666 3326 V HN 0.392 nan 8.190 nan 0.000 0.456 3327 A N -0.300 122.551 122.820 0.052 0.000 1.940 3327 A HA -0.277 4.048 4.320 0.009 0.000 0.219 3327 A C 2.321 179.953 177.584 0.081 0.000 1.176 3327 A CA 2.079 54.154 52.037 0.062 0.000 0.631 3327 A CB -0.467 18.563 19.000 0.050 0.000 0.814 3327 A HN 0.516 nan 8.150 nan 0.000 0.446 3328 K N -1.082 119.362 120.400 0.073 0.000 2.063 3328 K HA -0.126 4.200 4.320 0.009 0.000 0.208 3328 K C 1.745 178.422 176.600 0.128 0.000 1.048 3328 K CA 1.287 57.624 56.287 0.084 0.000 0.928 3328 K CB -0.292 32.238 32.500 0.050 0.000 0.713 3328 K HN 0.328 nan 8.250 nan 0.000 0.442 3329 L N 0.289 121.582 121.223 0.118 0.000 2.056 3329 L HA -0.138 4.207 4.340 0.009 0.000 0.207 3329 L C 2.203 179.214 176.870 0.235 0.000 1.078 3329 L CA 1.298 56.242 54.840 0.172 0.000 0.749 3329 L CB -0.727 41.403 42.059 0.118 0.000 0.901 3329 L HN -0.062 nan 8.230 nan 0.000 0.433 3330 V N -0.284 119.733 119.914 0.171 0.000 2.407 3330 V HA -0.266 3.860 4.120 0.009 0.000 0.248 3330 V C 2.717 178.934 176.094 0.206 0.000 1.055 3330 V CA 1.441 63.848 62.300 0.179 0.000 1.049 3330 V CB -1.153 30.741 31.823 0.120 0.000 0.662 3330 V HN 0.476 nan 8.190 nan 0.000 0.455 3331 A N -0.325 122.605 122.820 0.184 0.000 1.908 3331 A HA -0.261 4.064 4.320 0.009 0.000 0.218 3331 A C 2.113 179.845 177.584 0.246 0.000 1.181 3331 A CA 2.140 54.284 52.037 0.178 0.000 0.627 3331 A CB -0.695 18.399 19.000 0.157 0.000 0.818 3331 A HN 0.532 nan 8.150 nan 0.000 0.445 3332 F N 0.209 120.246 119.950 0.144 0.000 2.146 3332 F HA -0.120 4.412 4.527 0.009 0.000 0.298 3332 F C 2.181 178.106 175.800 0.208 0.000 1.096 3332 F CA 2.036 60.142 58.000 0.178 0.000 1.275 3332 F CB -0.734 38.335 39.000 0.116 0.000 1.008 3332 F HN 0.522 nan 8.300 nan 0.000 0.480 3333 H N 0.142 119.226 119.070 0.024 0.000 2.321 3333 H HA -0.142 4.420 4.556 0.009 0.000 0.300 3333 H C 2.062 177.353 175.328 -0.062 0.000 1.087 3333 H CA 2.563 58.567 56.048 -0.074 0.000 1.319 3333 H CB -0.589 29.197 29.762 0.039 0.000 1.379 3333 H HN 0.355 nan 8.280 nan 0.000 0.501 3334 L N -0.210 120.939 121.223 -0.124 0.000 2.131 3334 L HA -0.109 4.236 4.340 0.009 0.000 0.210 3334 L C 2.820 179.604 176.870 -0.144 0.000 1.092 3334 L CA 0.888 55.630 54.840 -0.163 0.000 0.759 3334 L CB -0.581 41.481 42.059 0.005 0.000 0.903 3334 L HN 0.492 nan 8.230 nan 0.000 0.435 3335 A N -0.432 122.341 122.820 -0.080 0.000 1.897 3335 A HA -0.165 4.160 4.320 0.009 0.000 0.215 3335 A C 2.303 179.884 177.584 -0.004 0.000 1.181 3335 A CA 1.216 53.225 52.037 -0.046 0.000 0.620 3335 A CB -0.280 18.732 19.000 0.021 0.000 0.821 3335 A HN 0.211 nan 8.150 nan 0.000 0.443 3336 M N -0.478 119.033 119.600 -0.148 0.000 2.086 3336 M HA -0.184 4.302 4.480 0.009 0.000 0.261 3336 M C 2.303 178.545 176.300 -0.096 0.000 1.067 3336 M CA 1.903 57.125 55.300 -0.130 0.000 1.116 3336 M CB -1.522 30.910 32.600 -0.281 0.000 1.348 3336 M HN 0.680 nan 8.290 nan 0.000 0.407 3337 Q N -0.225 119.428 119.800 -0.245 0.000 2.124 3337 Q HA -0.128 4.218 4.340 0.009 0.000 0.202 3337 Q C 2.015 177.958 176.000 -0.096 0.000 0.977 3337 Q CA 1.863 57.536 55.803 -0.217 0.000 0.850 3337 Q CB -0.007 28.492 28.738 -0.399 0.000 0.901 3337 Q HN 0.495 nan 8.270 nan 0.000 0.429 3338 A N 0.559 123.320 122.820 -0.098 0.000 1.902 3338 A HA -0.224 4.101 4.320 0.009 0.000 0.217 3338 A C 1.811 179.345 177.584 -0.083 0.000 1.181 3338 A CA 1.578 53.555 52.037 -0.100 0.000 0.623 3338 A CB -0.976 17.932 19.000 -0.153 0.000 0.818 3338 A HN 0.524 nan 8.150 nan 0.000 0.443 3339 H N -0.793 118.247 119.070 -0.049 0.000 2.353 3339 H HA -0.090 4.471 4.556 0.009 0.000 0.300 3339 H C 2.174 177.537 175.328 0.057 0.000 1.090 3339 H CA 1.530 57.583 56.048 0.008 0.000 1.327 3339 H CB -0.342 29.434 29.762 0.023 0.000 1.383 3339 H HN 0.394 nan 8.280 nan 0.000 0.508 3340 L N 0.828 122.145 121.223 0.156 0.000 1.970 3340 L HA -0.204 4.141 4.340 0.009 0.000 0.212 3340 L C 2.453 179.406 176.870 0.138 0.000 1.071 3340 L CA 1.510 56.428 54.840 0.128 0.000 0.751 3340 L CB -0.489 41.588 42.059 0.030 0.000 0.889 3340 L HN 0.187 nan 8.230 nan 0.000 0.432 3341 I N 0.014 120.628 120.570 0.074 0.000 2.163 3341 I HA -0.294 3.881 4.170 0.009 0.000 0.243 3341 I C 2.790 178.950 176.117 0.072 0.000 1.085 3341 I CA 1.256 62.595 61.300 0.065 0.000 1.347 3341 I CB -0.512 37.501 38.000 0.021 0.000 1.044 3341 I HN 0.325 nan 8.210 nan 0.000 0.408 3342 A N 0.697 123.544 122.820 0.045 0.000 1.933 3342 A HA -0.224 4.102 4.320 0.009 0.000 0.218 3342 A C 2.498 180.127 177.584 0.076 0.000 1.175 3342 A CA 2.149 54.205 52.037 0.031 0.000 0.628 3342 A CB -0.800 18.183 19.000 -0.029 0.000 0.814 3342 A HN 0.543 nan 8.150 nan 0.000 0.444 3343 S N -0.124 115.655 115.700 0.132 0.000 2.402 3343 S HA -0.156 4.320 4.470 0.009 0.000 0.229 3343 S C 1.574 176.267 174.600 0.155 0.000 1.021 3343 S CA 1.360 59.661 58.200 0.167 0.000 0.974 3343 S CB -0.417 62.970 63.200 0.311 0.000 0.800 3343 S HN 0.672 nan 8.310 nan 0.000 0.484 3344 E N 0.767 121.075 120.200 0.180 0.000 2.208 3344 E HA -0.031 4.324 4.350 0.009 0.000 0.193 3344 E C 1.727 178.466 176.600 0.231 0.000 0.988 3344 E CA 0.918 57.441 56.400 0.205 0.000 0.828 3344 E CB 0.013 29.835 29.700 0.204 0.000 0.763 3344 E HN 0.542 nan 8.360 nan 0.000 0.478 3345 E N -0.094 120.198 120.200 0.153 0.000 2.442 3345 E HA -0.036 4.319 4.350 0.009 0.000 0.195 3345 E C 1.220 177.910 176.600 0.150 0.000 1.030 3345 E CA 0.834 57.313 56.400 0.131 0.000 0.869 3345 E CB 0.444 30.186 29.700 0.070 0.000 0.857 3345 E HN 0.243 nan 8.360 nan 0.000 0.505 3346 T N -2.318 112.317 114.554 0.135 0.000 3.380 3346 T HA 0.465 4.820 4.350 0.009 0.000 0.289 3346 T C 0.720 175.464 174.700 0.073 0.000 1.012 3346 T CA -0.182 61.977 62.100 0.100 0.000 0.944 3346 T CB 0.458 69.356 68.868 0.049 0.000 1.172 3346 T HN -0.004 nan 8.240 nan 0.000 0.502 3347 G N 1.468 110.279 108.800 0.019 0.000 2.494 3347 G HA2 0.672 4.638 3.960 0.009 0.000 0.270 3347 G HA3 0.672 4.638 3.960 0.009 0.000 0.270 3347 G C -0.577 174.190 174.900 -0.223 0.000 1.423 3347 G CA -0.949 43.953 45.100 -0.329 0.000 1.055 3347 G HN 0.676 nan 8.290 nan 0.000 0.536 3348 F N -3.979 115.586 119.950 -0.643 0.000 2.741 3348 F HA 0.641 5.173 4.527 0.008 0.000 0.313 3348 F C -1.273 174.302 175.800 -0.375 0.000 1.153 3348 F CA -1.539 56.280 58.000 -0.302 0.000 0.931 3348 F CB 0.995 39.910 39.000 -0.142 0.000 1.335 3348 F HN 0.448 nan 8.300 nan 0.000 0.460 3349 H N 0.272 119.405 119.070 0.105 0.000 2.458 3349 H HA 0.529 5.090 4.556 0.009 0.000 0.330 3349 H C 0.230 175.664 175.328 0.175 0.000 1.111 3349 H CA -0.046 56.043 56.048 0.067 0.000 1.245 3349 H CB 1.605 31.458 29.762 0.152 0.000 1.456 3349 H HN 0.867 nan 8.280 nan 0.000 0.488 3350 T N -0.298 114.372 114.554 0.193 0.000 2.732 3350 T HA 0.089 4.444 4.350 0.009 0.000 0.287 3350 T C 1.415 176.248 174.700 0.220 0.000 0.993 3350 T CA -0.946 61.293 62.100 0.232 0.000 0.966 3350 T CB 0.795 69.773 68.868 0.184 0.000 1.047 3350 T HN 0.408 nan 8.240 nan 0.000 0.527 3351 K N 0.592 121.106 120.400 0.190 0.000 2.103 3351 K HA -0.045 4.280 4.320 0.009 0.000 0.207 3351 K C 2.353 179.046 176.600 0.155 0.000 1.048 3351 K CA 1.584 57.967 56.287 0.160 0.000 0.930 3351 K CB -1.147 31.444 32.500 0.152 0.000 0.716 3351 K HN 0.859 nan 8.250 nan 0.000 0.444 3352 G N 0.041 108.940 108.800 0.166 0.000 2.708 3352 G HA2 0.008 3.973 3.960 0.009 0.000 0.210 3352 G HA3 0.008 3.973 3.960 0.009 0.000 0.210 3352 G C 0.947 175.942 174.900 0.160 0.000 1.141 3352 G CA 0.790 45.982 45.100 0.154 0.000 0.788 3352 G HN 0.420 nan 8.290 nan 0.000 0.531 3353 G N -0.653 108.259 108.800 0.187 0.000 2.143 3353 G HA2 -0.280 3.686 3.960 0.009 0.000 0.249 3353 G HA3 -0.280 3.686 3.960 0.009 0.000 0.249 3353 G C 0.465 175.549 174.900 0.307 0.000 0.981 3353 G CA 0.073 45.306 45.100 0.221 0.000 0.665 3353 G HN 0.629 nan 8.290 nan 0.000 0.528 3354 R N -0.504 120.149 120.500 0.254 0.000 2.308 3354 R HA 0.412 4.758 4.340 0.009 0.000 0.305 3354 R C -0.201 176.192 176.300 0.156 0.000 1.053 3354 R CA -0.722 55.526 56.100 0.246 0.000 0.957 3354 R CB 0.673 31.128 30.300 0.259 0.000 1.022 3354 R HN 0.279 nan 8.270 nan 0.000 0.461 3355 Y N 3.491 123.773 120.300 -0.032 0.000 2.436 3355 Y HA 0.085 4.640 4.550 0.008 0.000 0.343 3355 Y C -0.227 175.561 175.900 -0.186 0.000 1.008 3355 Y CA 0.265 58.166 58.100 -0.332 0.000 1.241 3355 Y CB 0.403 38.668 38.460 -0.325 0.000 1.153 3355 Y HN 0.291 nan 8.280 nan 0.000 0.521 3356 K N 8.371 128.227 120.400 -0.907 0.000 2.138 3356 K HA 0.393 4.719 4.320 0.009 0.000 0.263 3356 K C -2.568 173.404 176.600 -1.047 0.000 0.965 3356 K CA -1.978 53.719 56.287 -0.983 0.000 0.868 3356 K CB 1.366 33.139 32.500 -1.210 0.000 1.083 3356 K HN 0.423 nan 8.250 nan 0.000 0.443 3357 P HA -0.001 nan 4.420 nan 0.000 0.272 3357 P C -0.928 176.318 177.300 -0.091 0.000 1.240 3357 P CA -0.373 62.538 63.100 -0.316 0.000 0.791 3357 P CB 0.385 31.933 31.700 -0.252 0.000 0.978 3358 N N 1.905 120.607 118.700 0.003 0.000 2.427 3358 N HA 0.030 4.775 4.740 0.009 0.000 0.269 3358 N C -1.520 173.788 175.510 -0.336 0.000 1.235 3358 N CA -1.269 51.760 53.050 -0.035 0.000 0.934 3358 N CB 0.324 38.810 38.487 -0.002 0.000 1.121 3358 N HN 0.237 nan 8.380 nan 0.000 0.480 3359 P HA -0.136 nan 4.420 nan 0.000 0.217 3359 P C 1.357 178.282 177.300 -0.626 0.000 1.151 3359 P CA 0.420 62.856 63.100 -1.108 0.000 0.828 3359 P CB 0.189 31.659 31.700 -0.384 0.000 0.788 3360 L N -0.736 120.345 121.223 -0.237 0.000 2.042 3360 L HA -0.144 4.201 4.340 0.009 0.000 0.210 3360 L C 2.100 179.034 176.870 0.107 0.000 1.076 3360 L CA 1.935 56.778 54.840 0.005 0.000 0.749 3360 L CB -1.024 41.044 42.059 0.015 0.000 0.893 3360 L HN -0.126 nan 8.230 nan 0.000 0.432 3361 I N -1.418 119.150 120.570 -0.003 0.000 2.400 3361 I HA -0.219 3.956 4.170 0.009 0.000 0.248 3361 I C 2.304 178.567 176.117 0.243 0.000 1.109 3361 I CA 1.077 62.459 61.300 0.137 0.000 1.425 3361 I CB -0.481 37.575 38.000 0.094 0.000 1.094 3361 I HN 0.419 nan 8.210 nan 0.000 0.425 3362 Y N 0.206 120.618 120.300 0.187 0.000 2.457 3362 Y HA -0.010 4.545 4.550 0.008 0.000 0.292 3362 Y C 1.700 177.652 175.900 0.087 0.000 1.125 3362 Y CA 0.296 58.486 58.100 0.151 0.000 1.254 3362 Y CB -1.189 37.374 38.460 0.171 0.000 1.012 3362 Y HN 0.068 nan 8.280 nan 0.000 0.555 3363 D N 0.231 120.700 120.400 0.114 0.000 2.162 3363 D HA -0.087 4.558 4.640 0.009 0.000 0.203 3363 D C 1.602 177.874 176.300 -0.046 0.000 0.967 3363 D CA 1.122 55.141 54.000 0.031 0.000 0.840 3363 D CB -0.456 40.280 40.800 -0.106 0.000 0.972 3363 D HN 0.417 nan 8.370 nan 0.000 0.482 3364 F N 1.036 120.984 119.950 -0.002 0.000 2.259 3364 F HA 0.053 4.584 4.527 0.008 0.000 0.298 3364 F C 2.481 178.186 175.800 -0.158 0.000 1.088 3364 F CA 0.904 58.899 58.000 -0.008 0.000 1.358 3364 F CB -0.348 38.693 39.000 0.069 0.000 1.040 3364 F HN -0.014 nan 8.300 nan 0.000 0.505 3365 G N -0.032 108.720 108.800 -0.081 0.000 2.446 3365 G HA2 -0.245 3.720 3.960 0.009 0.000 0.217 3365 G HA3 -0.245 3.720 3.960 0.009 0.000 0.217 3365 G C 1.816 176.662 174.900 -0.091 0.000 1.168 3365 G CA 0.620 45.475 45.100 -0.408 0.000 0.771 3365 G HN 0.214 nan 8.290 nan 0.000 0.551 3366 R N 0.449 120.947 120.500 -0.003 0.000 2.091 3366 R HA -0.019 4.326 4.340 0.009 0.000 0.238 3366 R C 3.034 179.367 176.300 0.055 0.000 1.136 3366 R CA 1.233 57.342 56.100 0.015 0.000 0.959 3366 R CB -0.405 29.873 30.300 -0.036 0.000 0.856 3366 R HN 0.357 nan 8.270 nan 0.000 0.437 3367 A N 0.455 123.265 122.820 -0.017 0.000 1.933 3367 A HA -0.215 4.110 4.320 0.009 0.000 0.218 3367 A C 1.989 179.622 177.584 0.083 0.000 1.175 3367 A CA 1.377 53.403 52.037 -0.019 0.000 0.628 3367 A CB -0.787 18.124 19.000 -0.148 0.000 0.814 3367 A HN 0.415 nan 8.150 nan 0.000 0.444 3368 H N -2.111 116.970 119.070 0.019 0.000 2.389 3368 H HA -0.138 4.423 4.556 0.009 0.000 0.299 3368 H C 1.908 177.370 175.328 0.224 0.000 1.081 3368 H CA 1.851 57.948 56.048 0.081 0.000 1.345 3368 H CB -0.184 29.569 29.762 -0.015 0.000 1.393 3368 H HN 0.530 nan 8.280 nan 0.000 0.520 3369 F N 1.163 121.202 119.950 0.148 0.000 2.113 3369 F HA -0.159 4.374 4.527 0.009 0.000 0.297 3369 F C 2.415 178.281 175.800 0.110 0.000 1.103 3369 F CA 0.998 59.147 58.000 0.249 0.000 1.248 3369 F CB -0.398 38.704 39.000 0.170 0.000 0.999 3369 F HN 0.038 nan 8.300 nan 0.000 0.475 3370 L N -0.228 121.139 121.223 0.240 0.000 2.131 3370 L HA -0.224 4.122 4.340 0.009 0.000 0.210 3370 L C 2.156 178.989 176.870 -0.060 0.000 1.092 3370 L CA 1.343 56.247 54.840 0.107 0.000 0.759 3370 L CB -0.671 41.447 42.059 0.097 0.000 0.903 3370 L HN 0.264 nan 8.230 nan 0.000 0.435 3371 Q N -0.656 119.089 119.800 -0.091 0.000 2.424 3371 Q HA -0.027 4.318 4.340 0.009 0.000 0.204 3371 Q C 0.800 176.653 176.000 -0.245 0.000 0.933 3371 Q CA 0.656 56.374 55.803 -0.143 0.000 0.929 3371 Q CB 0.181 28.860 28.738 -0.100 0.000 1.037 3371 Q HN 0.609 nan 8.270 nan 0.000 0.511 3372 N N -0.215 118.272 118.700 -0.355 0.000 2.159 3372 N HA -0.042 4.703 4.740 0.009 0.000 0.217 3372 N C 1.200 176.280 175.510 -0.717 0.000 1.223 3372 N CA -0.035 52.706 53.050 -0.515 0.000 0.896 3372 N CB 0.566 38.697 38.487 -0.592 0.000 1.064 3372 N HN 0.199 nan 8.380 nan 0.000 0.518 3373 Q N 0.182 119.581 119.800 -0.669 0.000 2.224 3373 Q HA -0.008 4.337 4.340 0.009 0.000 0.203 3373 Q C 1.509 177.211 176.000 -0.496 0.000 0.970 3373 Q CA 1.034 56.411 55.803 -0.709 0.000 0.865 3373 Q CB -0.025 28.307 28.738 -0.677 0.000 0.922 3373 Q HN 0.213 nan 8.270 nan 0.000 0.445 3374 M N 0.999 120.342 119.600 -0.428 0.000 2.156 3374 M HA -0.056 4.429 4.480 0.009 0.000 0.264 3374 M C 2.373 178.495 176.300 -0.297 0.000 1.067 3374 M CA 1.603 56.681 55.300 -0.368 0.000 1.131 3374 M CB -0.950 31.462 32.600 -0.312 0.000 1.368 3374 M HN 0.415 nan 8.290 nan 0.000 0.416 3375 S N 0.111 115.619 115.700 -0.318 0.000 2.399 3375 S HA -0.070 4.406 4.470 0.009 0.000 0.231 3375 S C 1.945 176.411 174.600 -0.224 0.000 1.022 3375 S CA 1.119 59.169 58.200 -0.251 0.000 0.983 3375 S CB -0.076 62.959 63.200 -0.275 0.000 0.803 3375 S HN 0.243 nan 8.310 nan 0.000 0.480 3376 V N 2.093 121.773 119.914 -0.390 0.000 2.407 3376 V HA -0.062 4.063 4.120 0.009 0.000 0.245 3376 V C 2.462 178.378 176.094 -0.296 0.000 1.041 3376 V CA 1.895 63.976 62.300 -0.365 0.000 1.040 3376 V CB -0.632 30.838 31.823 -0.589 0.000 0.671 3376 V HN 0.634 nan 8.190 nan 0.000 0.455 3377 M N -0.458 118.905 119.600 -0.395 0.000 2.080 3377 M HA -0.286 4.199 4.480 0.009 0.000 0.260 3377 M C 2.287 178.358 176.300 -0.382 0.000 1.068 3377 M CA 2.471 57.386 55.300 -0.642 0.000 1.109 3377 M CB -0.483 31.726 32.600 -0.653 0.000 1.342 3377 M HN 0.463 nan 8.290 nan 0.000 0.405 3378 Y N 0.885 120.990 120.300 -0.324 0.000 2.165 3378 Y HA -0.286 4.269 4.550 0.009 0.000 0.286 3378 Y C 2.054 177.854 175.900 -0.166 0.000 1.155 3378 Y CA 2.376 60.348 58.100 -0.213 0.000 1.164 3378 Y CB -0.227 38.124 38.460 -0.182 0.000 0.978 3378 Y HN 0.365 nan 8.280 nan 0.000 0.513 3379 E N 0.073 120.211 120.200 -0.104 0.000 2.106 3379 E HA -0.155 4.200 4.350 0.009 0.000 0.192 3379 E C 1.962 178.461 176.600 -0.168 0.000 0.984 3379 E CA 1.121 57.443 56.400 -0.130 0.000 0.806 3379 E CB -0.500 29.179 29.700 -0.034 0.000 0.750 3379 E HN 0.495 nan 8.360 nan 0.000 0.458 3380 L N 0.053 121.181 121.223 -0.157 0.000 2.027 3380 L HA -0.063 4.282 4.340 0.009 0.000 0.206 3380 L C 1.938 178.738 176.870 -0.117 0.000 1.074 3380 L CA 1.549 56.328 54.840 -0.101 0.000 0.745 3380 L CB -0.478 41.546 42.059 -0.059 0.000 0.898 3380 L HN 0.197 nan 8.230 nan 0.000 0.433 3381 L N -0.455 120.657 121.223 -0.185 0.000 2.079 3381 L HA -0.238 4.107 4.340 0.009 0.000 0.210 3381 L C 2.407 179.168 176.870 -0.182 0.000 1.081 3381 L CA 1.728 56.477 54.840 -0.152 0.000 0.752 3381 L CB -0.844 41.115 42.059 -0.167 0.000 0.896 3381 L HN 0.435 nan 8.230 nan 0.000 0.433 3382 D N 0.307 120.523 120.400 -0.305 0.000 2.178 3382 D HA -0.146 4.499 4.640 0.009 0.000 0.202 3382 D C 2.269 178.478 176.300 -0.151 0.000 0.974 3382 D CA 1.087 54.911 54.000 -0.295 0.000 0.841 3382 D CB 0.238 40.754 40.800 -0.473 0.000 0.953 3382 D HN 0.306 nan 8.370 nan 0.000 0.478 3383 L N 0.262 121.416 121.223 -0.115 0.000 2.179 3383 L HA -0.010 4.335 4.340 0.009 0.000 0.208 3383 L C 2.626 179.481 176.870 -0.026 0.000 1.096 3383 L CA 0.839 55.647 54.840 -0.054 0.000 0.779 3383 L CB -0.202 41.837 42.059 -0.034 0.000 0.922 3383 L HN -0.044 nan 8.230 nan 0.000 0.443 3384 A N -0.242 122.561 122.820 -0.027 0.000 2.016 3384 A HA 0.255 4.580 4.320 0.009 0.000 0.217 3384 A C 1.694 179.280 177.584 0.003 0.000 1.162 3384 A CA 0.926 52.964 52.037 0.000 0.000 0.662 3384 A CB -0.623 18.384 19.000 0.012 0.000 0.812 3384 A HN 0.456 nan 8.150 nan 0.000 0.450 3385 G N 0.569 109.359 108.800 -0.017 0.000 2.596 3385 G HA2 -0.446 3.520 3.960 0.009 0.000 0.295 3385 G HA3 -0.446 3.520 3.960 0.009 0.000 0.295 3385 G C 1.050 175.957 174.900 0.011 0.000 1.240 3385 G CA 1.265 46.360 45.100 -0.008 0.000 0.985 3385 G HN 1.128 nan 8.290 nan 0.000 0.555 3386 R N 0.187 120.702 120.500 0.025 0.000 2.237 3386 R HA 0.137 4.482 4.340 0.009 0.000 0.219 3386 R C 2.331 178.660 176.300 0.048 0.000 1.080 3386 R CA 2.050 58.173 56.100 0.038 0.000 0.995 3386 R CB -0.457 29.871 30.300 0.046 0.000 0.875 3386 R HN 0.336 nan 8.270 nan 0.000 0.462 3387 S N 1.167 116.894 115.700 0.045 0.000 2.442 3387 S HA -0.103 4.372 4.470 0.009 0.000 0.236 3387 S C 1.783 176.404 174.600 0.034 0.000 1.007 3387 S CA 1.412 59.638 58.200 0.044 0.000 0.965 3387 S CB 0.007 63.227 63.200 0.033 0.000 0.773 3387 S HN 0.672 nan 8.310 nan 0.000 0.504 3388 S N -0.022 115.701 115.700 0.039 0.000 2.548 3388 S HA 0.237 4.713 4.470 0.009 0.000 0.215 3388 S C 1.301 175.934 174.600 0.055 0.000 0.976 3388 S CA -0.095 58.135 58.200 0.049 0.000 0.908 3388 S CB 0.066 63.305 63.200 0.064 0.000 0.781 3388 S HN 0.369 nan 8.310 nan 0.000 0.519 3389 L N -0.122 121.131 121.223 0.050 0.000 2.675 3389 L HA 0.557 4.902 4.340 0.009 0.000 0.178 3389 L C 0.435 177.336 176.870 0.051 0.000 1.135 3389 L CA 0.572 55.444 54.840 0.053 0.000 0.855 3389 L CB 0.091 42.180 42.059 0.050 0.000 1.235 3389 L HN 0.137 nan 8.230 nan 0.000 0.499 3390 M N 2.589 122.224 119.600 0.058 0.000 3.436 3390 M HA 0.274 4.760 4.480 0.009 0.000 0.240 3390 M C -0.769 175.577 176.300 0.077 0.000 1.469 3390 M CA 0.303 55.648 55.300 0.074 0.000 1.622 3390 M CB -1.171 31.483 32.600 0.090 0.000 1.098 3390 M HN 0.115 nan 8.290 nan 0.000 0.568 3391 I N 3.744 124.338 120.570 0.041 0.000 2.315 3391 I HA 0.261 4.436 4.170 0.009 0.000 0.291 3391 I C -1.809 174.293 176.117 -0.025 0.000 1.006 3391 I CA -1.833 59.472 61.300 0.008 0.000 1.265 3391 I CB 1.153 39.131 38.000 -0.037 0.000 1.387 3391 I HN 0.218 nan 8.210 nan 0.000 0.475 3392 P HA 0.208 nan 4.420 nan 0.000 0.281 3392 P C -0.310 176.894 177.300 -0.161 0.000 1.252 3392 P CA -0.229 62.739 63.100 -0.220 0.000 0.778 3392 P CB 0.819 32.191 31.700 -0.547 0.000 0.895 3393 S N 1.691 117.305 115.700 -0.144 0.000 2.587 3393 S HA -0.015 4.460 4.470 0.009 0.000 0.260 3393 S C 1.564 176.121 174.600 -0.072 0.000 1.353 3393 S CA -0.425 57.714 58.200 -0.102 0.000 0.995 3393 S CB 0.285 63.446 63.200 -0.066 0.000 0.912 3393 S HN 0.460 nan 8.310 nan 0.000 0.568 3394 E N 1.414 121.578 120.200 -0.060 0.000 2.085 3394 E HA -0.149 4.207 4.350 0.009 0.000 0.194 3394 E C 2.237 178.863 176.600 0.045 0.000 0.994 3394 E CA 1.330 57.719 56.400 -0.018 0.000 0.801 3394 E CB -0.761 28.915 29.700 -0.041 0.000 0.743 3394 E HN 0.819 nan 8.360 nan 0.000 0.453 3395 G N 1.506 110.316 108.800 0.017 0.000 2.446 3395 G HA2 -0.318 3.647 3.960 0.009 0.000 0.217 3395 G HA3 -0.318 3.647 3.960 0.009 0.000 0.217 3395 G C 1.557 176.484 174.900 0.046 0.000 1.168 3395 G CA 0.886 46.006 45.100 0.033 0.000 0.771 3395 G HN 0.268 nan 8.290 nan 0.000 0.551 3396 Q N -1.093 118.704 119.800 -0.005 0.000 2.050 3396 Q HA -0.116 4.229 4.340 0.009 0.000 0.202 3396 Q C 2.294 178.272 176.000 -0.036 0.000 0.980 3396 Q CA 1.134 56.910 55.803 -0.044 0.000 0.840 3396 Q CB -0.341 28.246 28.738 -0.251 0.000 0.898 3396 Q HN 0.663 nan 8.270 nan 0.000 0.424 3397 W N 2.174 123.304 121.300 -0.284 0.000 2.325 3397 W HA -0.212 4.454 4.660 0.009 0.000 0.299 3397 W C 0.458 176.995 176.519 0.030 0.000 1.215 3397 W CA 1.588 58.854 57.345 -0.131 0.000 1.244 3397 W CB 0.034 29.411 29.460 -0.138 0.000 1.140 3397 W HN 0.213 nan 8.180 nan 0.000 0.523 3398 D N -0.033 120.514 120.400 0.246 0.000 2.339 3398 D HA -0.040 4.605 4.640 0.009 0.000 0.217 3398 D C -0.197 176.162 176.300 0.099 0.000 1.050 3398 D CA 0.410 54.517 54.000 0.178 0.000 0.856 3398 D CB -0.430 40.466 40.800 0.161 0.000 0.922 3398 D HN 0.085 nan 8.370 nan 0.000 0.518 3399 D N 0.390 120.850 120.400 0.101 0.000 2.533 3399 D HA -0.071 4.574 4.640 0.009 0.000 0.236 3399 D C 1.490 177.827 176.300 0.062 0.000 1.137 3399 D CA 0.238 54.292 54.000 0.090 0.000 0.867 3399 D CB 0.956 41.833 40.800 0.128 0.000 1.170 3399 D HN -0.098 nan 8.370 nan 0.000 0.474 3400 S N 2.612 118.339 115.700 0.045 0.000 2.387 3400 S HA -0.276 4.199 4.470 0.009 0.000 0.226 3400 S C 1.732 176.336 174.600 0.007 0.000 1.026 3400 S CA 1.176 59.389 58.200 0.021 0.000 0.972 3400 S CB -0.403 62.809 63.200 0.019 0.000 0.814 3400 S HN 0.778 nan 8.310 nan 0.000 0.477 3401 Q N 0.796 120.614 119.800 0.030 0.000 2.204 3401 Q HA 0.219 4.565 4.340 0.009 0.000 0.198 3401 Q C 1.464 177.490 176.000 0.044 0.000 0.946 3401 Q CA 1.296 57.115 55.803 0.028 0.000 0.859 3401 Q CB -0.152 28.615 28.738 0.048 0.000 0.946 3401 Q HN 0.446 nan 8.270 nan 0.000 0.474 3402 S N -0.245 115.515 115.700 0.101 0.000 2.578 3402 S HA 0.227 4.702 4.470 0.009 0.000 0.228 3402 S C 1.473 176.169 174.600 0.160 0.000 1.022 3402 S CA 0.066 58.389 58.200 0.205 0.000 0.967 3402 S CB 0.921 64.272 63.200 0.252 0.000 0.914 3402 S HN 0.609 nan 8.310 nan 0.000 0.515 3403 G N 2.732 111.590 108.800 0.097 0.000 2.442 3403 G HA2 -0.293 3.673 3.960 0.009 0.000 0.219 3403 G HA3 -0.293 3.673 3.960 0.009 0.000 0.219 3403 G C 1.337 176.154 174.900 -0.138 0.000 1.141 3403 G CA 1.290 46.430 45.100 0.065 0.000 0.763 3403 G HN 0.626 nan 8.290 nan 0.000 0.554 3404 Q N -0.665 118.993 119.800 -0.238 0.000 2.291 3404 Q HA -0.074 4.271 4.340 0.009 0.000 0.205 3404 Q C 1.976 177.745 176.000 -0.386 0.000 0.970 3404 Q CA 1.004 56.596 55.803 -0.351 0.000 0.876 3404 Q CB -0.681 27.817 28.738 -0.400 0.000 0.935 3404 Q HN 0.750 nan 8.270 nan 0.000 0.455 3405 W N -0.205 120.917 121.300 -0.297 0.000 2.388 3405 W HA 0.030 4.696 4.660 0.009 0.000 0.294 3405 W C 1.313 177.557 176.519 -0.459 0.000 1.212 3405 W CA 0.361 57.470 57.345 -0.393 0.000 1.271 3405 W CB -0.177 28.971 29.460 -0.520 0.000 1.126 3405 W HN 0.093 nan 8.180 nan 0.000 0.535 3406 F N -0.833 119.048 119.950 -0.114 0.000 2.259 3406 F HA -0.171 4.361 4.527 0.009 0.000 0.298 3406 F C 2.170 177.686 175.800 -0.473 0.000 1.088 3406 F CA 0.781 58.609 58.000 -0.286 0.000 1.358 3406 F CB -1.057 37.677 39.000 -0.442 0.000 1.040 3406 F HN -0.344 nan 8.300 nan 0.000 0.505 3407 V N 0.460 120.091 119.914 -0.472 0.000 2.295 3407 V HA -0.310 3.815 4.120 0.009 0.000 0.246 3407 V C 2.144 178.219 176.094 -0.031 0.000 1.049 3407 V CA 1.923 64.068 62.300 -0.259 0.000 1.024 3407 V CB -0.626 31.064 31.823 -0.222 0.000 0.648 3407 V HN 0.294 nan 8.190 nan 0.000 0.447 3408 K N -0.230 120.139 120.400 -0.052 0.000 2.103 3408 K HA -0.018 4.307 4.320 0.009 0.000 0.204 3408 K C 2.088 178.732 176.600 0.072 0.000 1.052 3408 K CA 1.062 57.358 56.287 0.014 0.000 0.945 3408 K CB -0.246 32.260 32.500 0.009 0.000 0.722 3408 K HN 0.343 nan 8.250 nan 0.000 0.443 3409 L N 1.138 122.411 121.223 0.084 0.000 2.141 3409 L HA -0.143 4.203 4.340 0.009 0.000 0.209 3409 L C 1.432 178.399 176.870 0.162 0.000 1.094 3409 L CA 0.907 55.815 54.840 0.113 0.000 0.763 3409 L CB -0.155 41.971 42.059 0.112 0.000 0.908 3409 L HN 0.262 nan 8.230 nan 0.000 0.437 3410 N N -0.494 118.335 118.700 0.215 0.000 2.203 3410 N HA 0.019 4.765 4.740 0.009 0.000 0.207 3410 N C 0.058 175.755 175.510 0.312 0.000 1.130 3410 N CA -0.032 53.194 53.050 0.293 0.000 0.861 3410 N CB 0.173 38.914 38.487 0.423 0.000 1.005 3410 N HN 0.225 nan 8.380 nan 0.000 0.507 3411 N N 0.485 119.304 118.700 0.198 0.000 2.503 3411 N HA 0.370 5.115 4.740 0.009 0.000 0.267 3411 N C 0.068 175.614 175.510 0.060 0.000 1.214 3411 N CA 0.297 53.426 53.050 0.133 0.000 0.959 3411 N CB 0.925 39.458 38.487 0.076 0.000 1.142 3411 N HN 0.147 nan 8.380 nan 0.000 0.455 3412 G N 1.064 109.833 108.800 -0.053 0.000 2.663 3412 G HA2 0.317 4.283 3.960 0.009 0.000 0.299 3412 G HA3 0.317 4.283 3.960 0.009 0.000 0.299 3412 G C -2.141 172.678 174.900 -0.135 0.000 1.372 3412 G CA -0.786 44.244 45.100 -0.117 0.000 0.781 3412 G HN 0.421 nan 8.290 nan 0.000 0.491 3413 P HA 0.013 nan 4.420 nan 0.000 0.219 3413 P C 1.047 178.292 177.300 -0.091 0.000 1.146 3413 P CA 1.138 64.192 63.100 -0.077 0.000 0.808 3413 P CB 0.202 31.869 31.700 -0.055 0.000 0.779 3414 K N -0.849 119.456 120.400 -0.158 0.000 2.437 3414 K HA 0.319 4.644 4.320 0.009 0.000 0.205 3414 K C 1.161 177.696 176.600 -0.108 0.000 1.026 3414 K CA 0.166 56.382 56.287 -0.119 0.000 1.153 3414 K CB -0.007 32.430 32.500 -0.104 0.000 0.863 3414 K HN 0.074 nan 8.250 nan 0.000 0.502 3415 G N 2.595 111.326 108.800 -0.115 0.000 2.578 3415 G HA2 -0.376 3.589 3.960 0.009 0.000 0.284 3415 G HA3 -0.376 3.589 3.960 0.009 0.000 0.284 3415 G C -0.371 174.544 174.900 0.026 0.000 1.283 3415 G CA -0.071 45.008 45.100 -0.036 0.000 0.944 3415 G HN 0.500 nan 8.290 nan 0.000 0.558 3416 N N -0.697 118.068 118.700 0.109 0.000 2.642 3416 N HA -0.138 4.607 4.740 0.009 0.000 0.269 3416 N C -1.407 174.308 175.510 0.341 0.000 1.073 3416 N CA 1.200 54.363 53.050 0.189 0.000 0.748 3416 N CB -0.694 37.891 38.487 0.163 0.000 0.894 3416 N HN 0.397 nan 8.380 nan 0.000 0.548 3417 P HA -0.137 nan 4.420 nan 0.000 0.217 3417 P C 1.555 179.060 177.300 0.341 0.000 1.148 3417 P CA 0.922 64.293 63.100 0.450 0.000 0.828 3417 P CB 0.255 32.234 31.700 0.466 0.000 0.783 3418 R N 0.049 120.655 120.500 0.175 0.000 2.159 3418 R HA -0.149 4.196 4.340 0.009 0.000 0.237 3418 R C 1.979 178.129 176.300 -0.250 0.000 1.131 3418 R CA 1.257 57.198 56.100 -0.264 0.000 0.982 3418 R CB -0.538 29.594 30.300 -0.280 0.000 0.868 3418 R HN 0.423 nan 8.270 nan 0.000 0.453 3419 E N -0.211 119.907 120.200 -0.136 0.000 2.153 3419 E HA -0.202 4.153 4.350 0.009 0.000 0.194 3419 E C 2.032 178.401 176.600 -0.385 0.000 0.988 3419 E CA 0.824 57.096 56.400 -0.213 0.000 0.811 3419 E CB -0.085 29.565 29.700 -0.083 0.000 0.746 3419 E HN 0.164 nan 8.360 nan 0.000 0.466 3420 R N 0.565 120.715 120.500 -0.584 0.000 2.096 3420 R HA -0.131 4.214 4.340 0.009 0.000 0.235 3420 R C 2.156 178.341 176.300 -0.193 0.000 1.127 3420 R CA 1.005 56.838 56.100 -0.444 0.000 0.968 3420 R CB -0.066 30.063 30.300 -0.285 0.000 0.861 3420 R HN 0.014 nan 8.270 nan 0.000 0.440 3421 V N 0.572 120.379 119.914 -0.179 0.000 2.427 3421 V HA -0.220 3.906 4.120 0.009 0.000 0.248 3421 V C 2.160 178.147 176.094 -0.178 0.000 1.051 3421 V CA 1.745 63.946 62.300 -0.165 0.000 1.048 3421 V CB -0.531 31.132 31.823 -0.267 0.000 0.666 3421 V HN 0.409 nan 8.190 nan 0.000 0.456 3422 Q N -0.111 119.565 119.800 -0.206 0.000 2.050 3422 Q HA -0.164 4.181 4.340 0.009 0.000 0.202 3422 Q C 2.274 178.206 176.000 -0.112 0.000 0.980 3422 Q CA 1.999 57.705 55.803 -0.163 0.000 0.840 3422 Q CB -0.293 28.351 28.738 -0.157 0.000 0.898 3422 Q HN 0.586 nan 8.270 nan 0.000 0.424 3423 I N 0.277 120.781 120.570 -0.110 0.000 2.179 3423 I HA -0.201 3.974 4.170 0.009 0.000 0.242 3423 I C 2.391 178.487 176.117 -0.035 0.000 1.088 3423 I CA 1.226 62.488 61.300 -0.063 0.000 1.357 3423 I CB -0.737 37.224 38.000 -0.066 0.000 1.051 3423 I HN 0.285 nan 8.210 nan 0.000 0.409 3424 G N 0.601 109.373 108.800 -0.046 0.000 2.450 3424 G HA2 -0.233 3.732 3.960 0.009 0.000 0.220 3424 G HA3 -0.233 3.732 3.960 0.009 0.000 0.220 3424 G C 1.842 176.736 174.900 -0.010 0.000 1.130 3424 G CA 0.551 45.642 45.100 -0.014 0.000 0.760 3424 G HN 0.306 nan 8.290 nan 0.000 0.557 3425 R N -0.505 119.966 120.500 -0.048 0.000 2.090 3425 R HA 0.050 4.395 4.340 0.009 0.000 0.228 3425 R C 2.694 178.986 176.300 -0.014 0.000 1.110 3425 R CA 0.859 56.923 56.100 -0.059 0.000 0.973 3425 R CB -0.363 29.865 30.300 -0.121 0.000 0.869 3425 R HN 0.290 nan 8.270 nan 0.000 0.440 3426 V N 1.401 121.309 119.914 -0.010 0.000 2.295 3426 V HA -0.258 3.867 4.120 0.009 0.000 0.246 3426 V C 2.222 178.354 176.094 0.064 0.000 1.049 3426 V CA 1.802 64.113 62.300 0.018 0.000 1.024 3426 V CB -0.359 31.470 31.823 0.010 0.000 0.648 3426 V HN 0.283 nan 8.190 nan 0.000 0.447 3427 I N -0.419 120.200 120.570 0.082 0.000 2.226 3427 I HA -0.254 3.921 4.170 0.009 0.000 0.245 3427 I C 2.767 178.991 176.117 0.179 0.000 1.100 3427 I CA 1.705 63.098 61.300 0.156 0.000 1.374 3427 I CB -0.535 37.552 38.000 0.144 0.000 1.057 3427 I HN 0.246 nan 8.210 nan 0.000 0.413 3428 R N 1.098 121.675 120.500 0.129 0.000 2.083 3428 R HA -0.222 4.124 4.340 0.009 0.000 0.237 3428 R C 1.826 178.226 176.300 0.167 0.000 1.137 3428 R CA 2.270 58.455 56.100 0.142 0.000 0.951 3428 R CB -0.282 30.078 30.300 0.101 0.000 0.851 3428 R HN 0.283 nan 8.270 nan 0.000 0.434 3429 D N 0.454 120.949 120.400 0.158 0.000 2.097 3429 D HA -0.146 4.499 4.640 0.009 0.000 0.195 3429 D C 1.900 178.350 176.300 0.250 0.000 0.989 3429 D CA 0.847 54.969 54.000 0.203 0.000 0.827 3429 D CB -0.193 40.675 40.800 0.114 0.000 0.966 3429 D HN 0.106 nan 8.370 nan 0.000 0.456 3430 L N -0.745 120.547 121.223 0.115 0.000 2.042 3430 L HA -0.164 4.181 4.340 0.009 0.000 0.210 3430 L C 1.563 178.175 176.870 -0.431 0.000 1.076 3430 L CA 1.727 56.452 54.840 -0.192 0.000 0.749 3430 L CB -0.677 41.151 42.059 -0.384 0.000 0.893 3430 L HN 0.250 nan 8.230 nan 0.000 0.432 3431 Y N -3.210 117.156 120.300 0.109 0.000 2.499 3431 Y HA 0.299 4.854 4.550 0.009 0.000 0.253 3431 Y C 1.062 177.041 175.900 0.131 0.000 1.105 3431 Y CA -0.292 57.891 58.100 0.137 0.000 1.240 3431 Y CB 0.788 39.369 38.460 0.201 0.000 1.289 3431 Y HN -0.125 nan 8.280 nan 0.000 0.534 3432 L N 0.745 122.103 121.223 0.225 0.000 3.366 3432 L HA 0.288 4.634 4.340 0.009 0.000 0.304 3432 L C -0.119 176.834 176.870 0.138 0.000 1.292 3432 L CA -0.158 54.790 54.840 0.181 0.000 1.012 3432 L CB 0.520 42.681 42.059 0.170 0.000 1.414 3432 L HN 0.027 nan 8.230 nan 0.000 0.603 3433 T N -6.747 107.877 114.554 0.117 0.000 2.901 3433 T HA 0.345 4.700 4.350 0.009 0.000 0.293 3433 T C 0.357 175.098 174.700 0.070 0.000 1.084 3433 T CA -0.636 61.523 62.100 0.098 0.000 1.008 3433 T CB 2.220 71.159 68.868 0.118 0.000 1.170 3433 T HN -0.117 nan 8.240 nan 0.000 0.509 3434 D N -0.175 120.265 120.400 0.066 0.000 2.116 3434 D HA -0.077 4.568 4.640 0.009 0.000 0.193 3434 D C 1.338 177.669 176.300 0.052 0.000 0.998 3434 D CA 1.590 55.620 54.000 0.051 0.000 0.836 3434 D CB -0.305 40.529 40.800 0.057 0.000 0.951 3434 D HN 0.730 nan 8.370 nan 0.000 0.449 3435 W N 1.665 122.913 121.300 -0.087 0.000 2.358 3435 W HA -0.082 4.583 4.660 0.009 0.000 0.303 3435 W C 2.355 178.790 176.519 -0.140 0.000 1.208 3435 W CA 2.162 59.455 57.345 -0.087 0.000 1.274 3435 W CB -0.512 28.906 29.460 -0.070 0.000 1.138 3435 W HN -0.005 nan 8.180 nan 0.000 0.515 3436 G N -0.026 108.746 108.800 -0.046 0.000 2.408 3436 G HA2 -0.170 3.795 3.960 0.009 0.000 0.217 3436 G HA3 -0.170 3.795 3.960 0.009 0.000 0.217 3436 G C 1.676 176.164 174.900 -0.686 0.000 1.150 3436 G CA 0.944 45.809 45.100 -0.392 0.000 0.776 3436 G HN 0.496 nan 8.290 nan 0.000 0.542 3437 G N 1.448 109.961 108.800 -0.477 0.000 2.432 3437 G HA2 -0.196 3.770 3.960 0.009 0.000 0.219 3437 G HA3 -0.196 3.770 3.960 0.009 0.000 0.219 3437 G C 1.878 176.541 174.900 -0.395 0.000 1.135 3437 G CA 1.208 45.996 45.100 -0.520 0.000 0.767 3437 G HN 0.610 nan 8.290 nan 0.000 0.550 3438 R N 0.367 120.686 120.500 -0.302 0.000 2.189 3438 R HA 0.094 4.440 4.340 0.009 0.000 0.223 3438 R C 2.036 178.246 176.300 -0.150 0.000 1.092 3438 R CA 1.063 57.048 56.100 -0.192 0.000 0.989 3438 R CB -0.649 29.532 30.300 -0.198 0.000 0.876 3438 R HN 0.361 nan 8.270 nan 0.000 0.457 3439 Q N -0.281 119.327 119.800 -0.320 0.000 2.482 3439 Q HA 0.046 4.391 4.340 0.009 0.000 0.209 3439 Q C 0.546 176.612 176.000 0.111 0.000 0.961 3439 Q CA 0.460 56.176 55.803 -0.146 0.000 0.945 3439 Q CB 0.052 28.561 28.738 -0.381 0.000 1.012 3439 Q HN 0.339 nan 8.270 nan 0.000 0.515 3440 F N -0.615 119.392 119.950 0.095 0.000 2.188 3440 F HA 0.025 4.557 4.527 0.009 0.000 0.289 3440 F C 1.948 177.853 175.800 0.175 0.000 1.082 3440 F CA 0.433 58.519 58.000 0.144 0.000 1.282 3440 F CB -0.513 38.554 39.000 0.113 0.000 1.060 3440 F HN 0.086 nan 8.300 nan 0.000 0.493 3441 M N -0.778 119.017 119.600 0.325 0.000 2.549 3441 M HA -0.165 4.320 4.480 0.009 0.000 0.260 3441 M C 1.948 178.436 176.300 0.314 0.000 1.076 3441 M CA 0.771 56.223 55.300 0.253 0.000 1.090 3441 M CB -1.199 31.473 32.600 0.120 0.000 1.418 3441 M HN 0.110 nan 8.290 nan 0.000 0.486 3442 F N 1.632 121.690 119.950 0.179 0.000 2.154 3442 F HA -0.252 4.281 4.527 0.009 0.000 0.301 3442 F C 1.463 177.475 175.800 0.354 0.000 1.087 3442 F CA 1.991 60.116 58.000 0.208 0.000 1.274 3442 F CB 0.072 39.142 39.000 0.118 0.000 1.009 3442 F HN 0.273 nan 8.300 nan 0.000 0.485 3443 E N -2.546 117.970 120.200 0.528 0.000 2.601 3443 E HA 0.104 4.459 4.350 0.009 0.000 0.219 3443 E C 0.827 177.557 176.600 0.218 0.000 0.964 3443 E CA 0.003 56.590 56.400 0.311 0.000 1.050 3443 E CB -0.886 28.939 29.700 0.209 0.000 1.068 3443 E HN 0.289 nan 8.360 nan 0.000 0.496 3444 N N 0.211 119.104 118.700 0.322 0.000 2.466 3444 N HA 0.025 4.770 4.740 0.009 0.000 0.211 3444 N C -0.070 175.606 175.510 0.278 0.000 1.256 3444 N CA 0.317 53.511 53.050 0.240 0.000 0.840 3444 N CB 0.066 38.695 38.487 0.236 0.000 1.079 3444 N HN 0.281 nan 8.380 nan 0.000 0.466 3445 F N -2.004 117.994 119.950 0.080 0.000 2.743 3445 F HA 0.285 4.818 4.527 0.009 0.000 0.356 3445 F C 0.006 175.836 175.800 0.050 0.000 0.845 3445 F CA -0.763 57.271 58.000 0.056 0.000 1.058 3445 F CB -0.392 38.639 39.000 0.052 0.000 0.952 3445 F HN -0.160 nan 8.300 nan 0.000 0.620 3446 N N 1.986 120.000 118.700 -1.143 0.000 2.715 3446 N HA 0.459 5.204 4.740 0.009 0.000 0.254 3446 N C 0.169 175.453 175.510 -0.377 0.000 1.306 3446 N CA 0.670 53.131 53.050 -0.982 0.000 0.956 3446 N CB 0.213 38.148 38.487 -0.920 0.000 1.296 3446 N HN 0.741 nan 8.380 nan 0.000 0.512 3447 G N -1.166 107.503 108.800 -0.217 0.000 1.980 3447 G HA2 0.061 4.027 3.960 0.009 0.000 0.198 3447 G HA3 0.061 4.027 3.960 0.009 0.000 0.198 3447 G C -0.752 174.124 174.900 -0.041 0.000 1.587 3447 G CA -0.966 44.071 45.100 -0.105 0.000 0.975 3447 G HN 0.162 nan 8.290 nan 0.000 0.682 3448 T N 3.435 117.984 114.554 -0.007 0.000 2.937 3448 T HA 0.383 4.738 4.350 0.009 0.000 0.316 3448 T C -0.019 174.712 174.700 0.052 0.000 1.079 3448 T CA 0.412 62.523 62.100 0.018 0.000 1.131 3448 T CB 0.363 69.229 68.868 -0.002 0.000 1.000 3448 T HN 0.397 nan 8.240 nan 0.000 0.549 3449 P HA -0.193 nan 4.420 nan 0.000 0.251 3449 P C 0.813 178.143 177.300 0.049 0.000 0.832 3449 P CA 1.106 64.239 63.100 0.054 0.000 1.108 3449 P CB 0.098 31.851 31.700 0.089 0.000 0.773 3450 L N -3.138 118.128 121.223 0.071 0.000 3.066 3450 L HA 0.214 4.559 4.340 0.009 0.000 0.265 3450 L C 1.585 178.505 176.870 0.083 0.000 1.232 3450 L CA 0.038 54.906 54.840 0.047 0.000 1.031 3450 L CB -0.529 41.532 42.059 0.004 0.000 1.379 3450 L HN 0.055 nan 8.230 nan 0.000 0.563 3451 F N 1.235 121.191 119.950 0.010 0.000 2.546 3451 F HA -0.002 4.530 4.527 0.009 0.000 0.298 3451 F C 1.409 177.221 175.800 0.020 0.000 1.120 3451 F CA 0.703 58.716 58.000 0.021 0.000 1.456 3451 F CB 0.471 39.477 39.000 0.010 0.000 1.088 3451 F HN 0.151 nan 8.300 nan 0.000 0.572 3452 A N -0.600 122.329 122.820 0.182 0.000 3.045 3452 A HA 0.539 4.864 4.320 0.009 0.000 0.244 3452 A C 0.161 177.766 177.584 0.034 0.000 0.917 3452 A CA -0.132 51.967 52.037 0.104 0.000 1.075 3452 A CB -0.346 18.705 19.000 0.085 0.000 1.202 3452 A HN 0.084 nan 8.150 nan 0.000 0.486 3453 V N -1.941 117.999 119.914 0.043 0.000 3.332 3453 V HA 0.191 4.316 4.120 0.009 0.000 0.263 3453 V C 1.072 177.240 176.094 0.123 0.000 1.562 3453 V CA 0.602 62.903 62.300 0.002 0.000 1.040 3453 V CB 0.005 31.789 31.823 -0.064 0.000 0.857 3453 V HN 0.566 nan 8.190 nan 0.000 0.428 3454 F N 1.273 121.201 119.950 -0.038 0.000 2.712 3454 F HA 0.570 5.103 4.527 0.010 0.000 0.297 3454 F C 2.031 177.820 175.800 -0.019 0.000 1.114 3454 F CA 0.705 58.701 58.000 -0.007 0.000 1.305 3454 F CB 0.401 39.394 39.000 -0.012 0.000 1.086 3454 F HN 0.027 nan 8.300 nan 0.000 0.599 3455 A N -0.180 122.652 122.820 0.021 0.000 2.119 3455 A HA 0.273 4.598 4.320 0.009 0.000 0.217 3455 A C 1.985 179.541 177.584 -0.047 0.000 1.153 3455 A CA 1.248 53.259 52.037 -0.043 0.000 0.692 3455 A CB -0.943 18.062 19.000 0.010 0.000 0.799 3455 A HN 0.256 nan 8.150 nan 0.000 0.458 3456 A N -1.929 120.876 122.820 -0.024 0.000 2.387 3456 A HA 0.391 4.716 4.320 0.009 0.000 0.234 3456 A C 1.549 179.107 177.584 -0.045 0.000 1.253 3456 A CA 1.130 53.151 52.037 -0.027 0.000 0.894 3456 A CB -0.023 18.968 19.000 -0.014 0.000 0.963 3456 A HN 0.298 nan 8.150 nan 0.000 0.508 3457 T N -1.615 112.881 114.554 -0.097 0.000 3.280 3457 T HA 0.116 4.471 4.350 0.009 0.000 0.256 3457 T C 1.823 176.338 174.700 -0.310 0.000 0.995 3457 T CA 0.583 62.623 62.100 -0.100 0.000 1.144 3457 T CB -0.270 68.688 68.868 0.151 0.000 1.140 3457 T HN 0.298 nan 8.240 nan 0.000 0.423 3458 M N 1.625 120.790 119.600 -0.724 0.000 2.267 3458 M HA -0.111 4.375 4.480 0.009 0.000 0.263 3458 M C 1.405 177.519 176.300 -0.310 0.000 1.063 3458 M CA 1.499 56.394 55.300 -0.676 0.000 1.090 3458 M CB -0.207 31.839 32.600 -0.925 0.000 1.392 3458 M HN 0.214 nan 8.290 nan 0.000 0.422 3459 T N -1.067 113.345 114.554 -0.237 0.000 3.057 3459 T HA 0.083 4.438 4.350 0.009 0.000 0.254 3459 T C 1.404 176.036 174.700 -0.114 0.000 1.094 3459 T CA 0.465 62.480 62.100 -0.142 0.000 1.088 3459 T CB 0.036 68.842 68.868 -0.104 0.000 0.934 3459 T HN 0.276 nan 8.240 nan 0.000 0.497 3460 R N 0.742 121.174 120.500 -0.114 0.000 2.290 3460 R HA 0.356 4.701 4.340 0.009 0.000 0.197 3460 R C -0.224 176.024 176.300 -0.087 0.000 0.913 3460 R CA 0.255 56.301 56.100 -0.091 0.000 1.040 3460 R CB 0.252 30.510 30.300 -0.070 0.000 0.992 3460 R HN 0.327 nan 8.270 nan 0.000 0.500 3461 D N -1.999 118.347 120.400 -0.090 0.000 2.801 3461 D HA 0.092 4.737 4.640 0.009 0.000 0.277 3461 D C 0.335 176.595 176.300 -0.065 0.000 1.125 3461 D CA -0.361 53.600 54.000 -0.065 0.000 1.102 3461 D CB 0.854 41.641 40.800 -0.021 0.000 1.400 3461 D HN -0.069 nan 8.370 nan 0.000 0.601 3462 D N -0.417 119.967 120.400 -0.028 0.000 2.084 3462 D HA -0.123 4.522 4.640 0.009 0.000 0.199 3462 D C 0.752 177.054 176.300 0.005 0.000 0.981 3462 D CA 0.667 54.663 54.000 -0.007 0.000 0.841 3462 D CB -0.193 40.623 40.800 0.026 0.000 0.997 3462 D HN 0.115 nan 8.370 nan 0.000 0.454 3463 M N 0.489 120.132 119.600 0.072 0.000 2.276 3463 M HA -0.194 4.291 4.480 0.009 0.000 0.196 3463 M C -0.119 176.247 176.300 0.110 0.000 0.355 3463 M CA 0.858 56.234 55.300 0.128 0.000 0.399 3463 M CB -2.888 29.701 32.600 -0.018 0.000 1.272 3463 M HN 0.457 nan 8.290 nan 0.000 0.906 3464 S N -1.663 114.100 115.700 0.105 0.000 2.806 3464 S HA 0.849 5.324 4.470 0.009 0.000 0.315 3464 S C 1.122 175.810 174.600 0.147 0.000 1.127 3464 S CA -0.338 57.920 58.200 0.097 0.000 0.918 3464 S CB 1.780 65.007 63.200 0.043 0.000 1.240 3464 S HN 0.317 nan 8.310 nan 0.000 0.552 3465 A N 0.067 122.965 122.820 0.129 0.000 2.070 3465 A HA 0.306 4.631 4.320 0.009 0.000 0.220 3465 A C 2.013 179.754 177.584 0.262 0.000 1.159 3465 A CA 1.506 53.648 52.037 0.174 0.000 0.656 3465 A CB -1.357 17.718 19.000 0.125 0.000 0.800 3465 A HN 1.335 nan 8.150 nan 0.000 0.453 3466 A N -0.645 122.266 122.820 0.151 0.000 2.238 3466 A HA 0.482 4.807 4.320 0.009 0.000 0.210 3466 A C 1.470 179.149 177.584 0.158 0.000 1.179 3466 A CA 0.760 52.824 52.037 0.045 0.000 0.827 3466 A CB -0.636 18.316 19.000 -0.079 0.000 0.856 3466 A HN 0.617 nan 8.150 nan 0.000 0.488 3467 G N -1.696 107.239 108.800 0.225 0.000 2.516 3467 G HA2 0.267 4.233 3.960 0.009 0.000 0.276 3467 G HA3 0.267 4.233 3.960 0.009 0.000 0.276 3467 G C 0.974 176.034 174.900 0.267 0.000 1.390 3467 G CA 0.619 45.838 45.100 0.198 0.000 1.050 3467 G HN 0.116 nan 8.290 nan 0.000 0.519 3468 T N -1.603 113.010 114.554 0.099 0.000 2.951 3468 T HA -0.053 4.303 4.350 0.009 0.000 0.268 3468 T C 1.756 176.358 174.700 -0.163 0.000 1.073 3468 T CA 1.217 63.283 62.100 -0.057 0.000 1.134 3468 T CB -0.334 68.408 68.868 -0.211 0.000 0.884 3468 T HN 0.403 nan 8.240 nan 0.000 0.479 3469 Y N 0.126 120.439 120.300 0.022 0.000 2.546 3469 Y HA 0.271 4.826 4.550 0.009 0.000 0.287 3469 Y C 2.431 178.317 175.900 -0.024 0.000 1.158 3469 Y CA 0.235 58.336 58.100 0.001 0.000 1.307 3469 Y CB 0.022 38.498 38.460 0.026 0.000 1.036 3469 Y HN 0.296 nan 8.280 nan 0.000 0.532 3470 G N -0.457 108.401 108.800 0.097 0.000 2.623 3470 G HA2 -0.122 3.844 3.960 0.009 0.000 0.214 3470 G HA3 -0.122 3.844 3.960 0.009 0.000 0.214 3470 G C 1.640 176.310 174.900 -0.384 0.000 1.138 3470 G CA 0.086 45.211 45.100 0.041 0.000 0.794 3470 G HN 0.210 nan 8.290 nan 0.000 0.535 3471 K N 0.027 119.914 120.400 -0.855 0.000 1.973 3471 K HA -0.049 4.276 4.320 0.009 0.000 0.212 3471 K C 2.021 178.426 176.600 -0.325 0.000 1.047 3471 K CA 1.002 56.615 56.287 -1.123 0.000 0.937 3471 K CB -0.391 31.588 32.500 -0.869 0.000 0.721 3471 K HN 0.320 nan 8.250 nan 0.000 0.440 3472 F N 0.894 120.666 119.950 -0.298 0.000 2.102 3472 F HA -0.264 4.269 4.527 0.009 0.000 0.298 3472 F C 2.219 177.953 175.800 -0.109 0.000 1.105 3472 F CA 1.138 59.042 58.000 -0.160 0.000 1.239 3472 F CB -0.082 38.855 39.000 -0.105 0.000 0.991 3472 F HN 0.185 nan 8.300 nan 0.000 0.474 3473 A N -0.374 122.387 122.820 -0.098 0.000 1.883 3473 A HA -0.202 4.123 4.320 0.009 0.000 0.217 3473 A C 2.241 179.753 177.584 -0.119 0.000 1.186 3473 A CA 2.069 54.004 52.037 -0.170 0.000 0.624 3473 A CB -1.199 17.757 19.000 -0.072 0.000 0.822 3473 A HN 0.451 nan 8.150 nan 0.000 0.444 3474 S N -0.600 115.062 115.700 -0.064 0.000 2.353 3474 S HA -0.271 4.205 4.470 0.009 0.000 0.222 3474 S C 2.173 176.763 174.600 -0.016 0.000 1.035 3474 S CA 1.573 59.770 58.200 -0.005 0.000 1.025 3474 S CB -0.440 62.805 63.200 0.076 0.000 0.902 3474 S HN 0.727 nan 8.310 nan 0.000 0.440 3475 Q N 0.889 120.674 119.800 -0.025 0.000 2.014 3475 Q HA -0.172 4.173 4.340 0.009 0.000 0.207 3475 Q C 2.146 178.117 176.000 -0.047 0.000 0.993 3475 Q CA 2.014 57.816 55.803 -0.001 0.000 0.850 3475 Q CB -0.364 28.409 28.738 0.059 0.000 0.916 3475 Q HN 0.405 nan 8.270 nan 0.000 0.417 3476 V N 0.381 120.208 119.914 -0.144 0.000 2.469 3476 V HA -0.298 3.828 4.120 0.009 0.000 0.251 3476 V C 2.334 178.358 176.094 -0.117 0.000 1.064 3476 V CA 1.651 63.837 62.300 -0.190 0.000 1.066 3476 V CB -0.499 31.088 31.823 -0.394 0.000 0.667 3476 V HN 0.546 nan 8.190 nan 0.000 0.461 3477 C N 0.277 119.520 119.300 -0.095 0.000 2.562 3477 C HA 0.415 4.880 4.460 0.009 0.000 0.266 3477 C C 1.822 176.794 174.990 -0.029 0.000 1.382 3477 C CA 0.149 59.133 59.018 -0.058 0.000 1.742 3477 C CB -1.241 26.471 27.740 -0.047 0.000 1.812 3477 C HN 0.840 nan 8.230 nan 0.000 0.559 3478 G N 1.400 110.188 108.800 -0.021 0.000 2.256 3478 G HA2 -0.234 3.731 3.960 0.009 0.000 0.272 3478 G HA3 -0.234 3.731 3.960 0.009 0.000 0.272 3478 G C -0.328 174.579 174.900 0.012 0.000 1.076 3478 G CA -0.006 45.093 45.100 -0.002 0.000 0.882 3478 G HN 0.572 nan 8.290 nan 0.000 0.497 3479 I N -0.846 119.739 120.570 0.024 0.000 2.689 3479 I HA 0.385 4.560 4.170 0.009 0.000 0.299 3479 I C 1.244 177.407 176.117 0.077 0.000 1.059 3479 I CA -0.783 60.542 61.300 0.042 0.000 1.055 3479 I CB 1.771 39.795 38.000 0.040 0.000 1.243 3479 I HN 0.384 nan 8.210 nan 0.000 0.425 3480 E N 4.091 124.334 120.200 0.072 0.000 3.701 3480 E HA -0.374 3.981 4.350 0.009 0.000 0.454 3480 E C -0.246 176.460 176.600 0.176 0.000 1.671 3480 E CA 1.931 58.384 56.400 0.088 0.000 1.601 3480 E CB -0.117 29.622 29.700 0.064 0.000 1.392 3480 E HN 0.458 nan 8.360 nan 0.000 0.379 3481 F N -0.973 118.983 119.950 0.010 0.000 1.982 3481 F HA -0.125 4.408 4.527 0.009 0.000 0.322 3481 F C 0.162 175.967 175.800 0.009 0.000 1.092 3481 F CA 1.676 59.684 58.000 0.012 0.000 1.065 3481 F CB -0.575 38.438 39.000 0.022 0.000 1.664 3481 F HN 0.719 nan 8.300 nan 0.000 0.734 3482 G N 0.000 108.596 108.800 -0.341 0.000 5.446 3482 G HA2 0.000 3.965 3.960 0.009 0.000 0.244 3482 G HA3 0.000 3.965 3.960 0.009 0.000 0.244 3482 G CA 0.000 45.006 45.100 -0.157 0.000 0.502 3482 G HN 0.000 nan 8.290 nan 0.000 0.925