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 2zle_1_I DATA FIRST_RESID 3119 DATA SEQUENCE QMPSLAPMLE KVMPSVVSIN VEGSTTVNTP RMPRNFQQFF GGQQQKFMAL DATA SEQUENCE GSGVIIDADK GYVVTNNHVV DNATVIKVQL SDGRKFDAKM VGKDPRSDIA DATA SEQUENCE LIQIQNPKNL TAIKMADSDA LRVGDYTVAI GNPFGLGETV TSGIVSALGR DATA SEQUENCE ENFIQTDAAI NRGNSGGALV NLNGELIGIN TAILAPDGGN IGIGFAIPSN DATA SEQUENCE MVKNLTSQMV EYGQVKRGEL GIMGTELNSE LAKAMKVDAQ RGAFVSQVLP DATA SEQUENCE NSSAAKAGIK AGDVITSLNG KPISSFAALR AQVGTMPVGS KLTLGLLRDG DATA SEQUENCE KQVNVNLELQ QSSQNQVDSS SIFNEMSNKG KDQGVVVNNV KTGTPAAQIG DATA SEQUENCE LKKGDVIIGA NQQAVKNIAE LRKVLDSKPS VLALNIQRGD STIYLL 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 3119 Q HA 0.000 nan 4.340 nan 0.000 0.214 3119 Q C 0.000 175.996 176.000 -0.006 0.000 1.003 3119 Q CA 0.000 55.800 55.803 -0.004 0.000 1.022 3119 Q CB 0.000 28.735 28.738 -0.004 0.000 1.108 3120 M N 0.950 120.545 119.600 -0.008 0.000 2.472 3120 M HA 0.826 5.305 4.480 -0.002 0.000 0.331 3120 M C -2.105 174.186 176.300 -0.015 0.000 1.170 3120 M CA -1.840 53.454 55.300 -0.011 0.000 1.009 3120 M CB 0.283 32.877 32.600 -0.010 0.000 1.672 3120 M HN 0.174 nan 8.290 nan 0.000 0.453 3121 P HA 0.306 nan 4.420 nan 0.000 0.269 3121 P C -0.959 176.323 177.300 -0.029 0.000 1.215 3121 P CA -0.222 62.861 63.100 -0.028 0.000 0.780 3121 P CB 0.758 32.435 31.700 -0.038 0.000 0.898 3122 S N 0.129 115.811 115.700 -0.031 0.000 2.543 3122 S HA 0.279 4.748 4.470 -0.002 0.000 0.274 3122 S C 0.115 174.697 174.600 -0.030 0.000 1.149 3122 S CA -0.681 57.502 58.200 -0.028 0.000 0.866 3122 S CB 0.455 63.644 63.200 -0.017 0.000 1.111 3122 S HN 0.301 nan 8.310 nan 0.000 0.457 3123 L N 3.021 124.226 121.223 -0.030 0.000 2.558 3123 L HA 0.241 4.580 4.340 -0.002 0.000 0.225 3123 L C 2.529 179.392 176.870 -0.011 0.000 1.128 3123 L CA 0.771 55.596 54.840 -0.025 0.000 0.868 3123 L CB -0.525 41.518 42.059 -0.027 0.000 1.006 3123 L HN 0.825 nan 8.230 nan 0.000 0.454 3124 A N 1.238 124.053 122.820 -0.009 0.000 1.940 3124 A HA -0.119 4.200 4.320 -0.002 0.000 0.219 3124 A C -0.122 177.462 177.584 -0.001 0.000 1.176 3124 A CA 1.528 53.564 52.037 -0.003 0.000 0.631 3124 A CB -1.465 17.534 19.000 -0.002 0.000 0.814 3124 A HN 0.258 nan 8.150 nan 0.000 0.446 3125 P HA -0.147 nan 4.420 nan 0.000 0.217 3125 P C 1.687 178.987 177.300 0.000 0.000 1.150 3125 P CA 1.766 64.865 63.100 -0.001 0.000 0.832 3125 P CB -0.142 31.556 31.700 -0.003 0.000 0.787 3126 M N -2.928 116.672 119.600 -0.000 0.000 2.394 3126 M HA 0.079 4.558 4.480 -0.002 0.000 0.266 3126 M C 1.692 177.995 176.300 0.005 0.000 1.098 3126 M CA 1.779 57.080 55.300 0.003 0.000 1.149 3126 M CB -1.672 30.930 32.600 0.003 0.000 1.369 3126 M HN -0.233 nan 8.290 nan 0.000 0.450 3127 L N 0.497 121.722 121.223 0.005 0.000 2.127 3127 L HA -0.160 4.179 4.340 -0.002 0.000 0.211 3127 L C 2.283 179.158 176.870 0.009 0.000 1.089 3127 L CA 1.568 56.413 54.840 0.008 0.000 0.757 3127 L CB -0.878 41.186 42.059 0.008 0.000 0.899 3127 L HN 0.481 nan 8.230 nan 0.000 0.434 3128 E N 0.048 120.253 120.200 0.007 0.000 2.204 3128 E HA -0.185 4.164 4.350 -0.002 0.000 0.194 3128 E C 1.841 178.446 176.600 0.008 0.000 0.989 3128 E CA 0.799 57.204 56.400 0.008 0.000 0.824 3128 E CB 0.112 29.817 29.700 0.007 0.000 0.756 3128 E HN 0.457 nan 8.360 nan 0.000 0.477 3129 K N -0.019 120.385 120.400 0.007 0.000 2.426 3129 K HA 0.050 4.368 4.320 -0.002 0.000 0.193 3129 K C 1.599 178.203 176.600 0.008 0.000 1.028 3129 K CA 0.192 56.483 56.287 0.007 0.000 1.047 3129 K CB 0.760 33.264 32.500 0.006 0.000 0.821 3129 K HN -0.026 nan 8.250 nan 0.000 0.513 3130 V N 0.738 120.658 119.914 0.009 0.000 2.690 3130 V HA -0.101 4.018 4.120 -0.002 0.000 0.240 3130 V C 2.038 178.139 176.094 0.012 0.000 1.078 3130 V CA 0.697 63.003 62.300 0.011 0.000 1.102 3130 V CB -0.099 31.731 31.823 0.012 0.000 0.800 3130 V HN 0.218 nan 8.190 nan 0.000 0.479 3131 M N 0.163 119.771 119.600 0.013 0.000 2.146 3131 M HA -0.173 4.306 4.480 -0.002 0.000 0.256 3131 M C -0.122 176.188 176.300 0.016 0.000 1.075 3131 M CA 2.173 57.482 55.300 0.016 0.000 1.082 3131 M CB -2.510 30.101 32.600 0.018 0.000 1.355 3131 M HN 0.265 nan 8.290 nan 0.000 0.402 3132 P HA -0.048 nan 4.420 nan 0.000 0.223 3132 P C 1.162 178.466 177.300 0.007 0.000 1.144 3132 P CA 1.087 64.195 63.100 0.014 0.000 0.783 3132 P CB -0.058 31.649 31.700 0.012 0.000 0.771 3133 S N -1.559 114.144 115.700 0.006 0.000 2.524 3133 S HA 0.066 4.535 4.470 -0.002 0.000 0.216 3133 S C 0.816 175.419 174.600 0.004 0.000 0.987 3133 S CA 0.083 58.284 58.200 0.001 0.000 0.909 3133 S CB -0.090 63.112 63.200 0.002 0.000 0.781 3133 S HN -0.063 nan 8.310 nan 0.000 0.521 3134 V N 3.388 123.309 119.914 0.011 0.000 2.465 3134 V HA 0.467 4.586 4.120 -0.002 0.000 0.279 3134 V C 0.183 176.288 176.094 0.018 0.000 1.045 3134 V CA -0.566 61.742 62.300 0.014 0.000 0.938 3134 V CB 1.203 33.036 31.823 0.018 0.000 0.986 3134 V HN 0.242 nan 8.190 nan 0.000 0.467 3135 V N 2.614 122.538 119.914 0.017 0.000 3.103 3135 V HA 0.842 4.961 4.120 -0.002 0.000 0.318 3135 V C -0.125 175.986 176.094 0.028 0.000 1.114 3135 V CA -0.491 61.825 62.300 0.026 0.000 1.020 3135 V CB 2.393 34.228 31.823 0.019 0.000 1.085 3135 V HN 0.733 nan 8.190 nan 0.000 0.446 3136 S N 1.545 117.268 115.700 0.038 0.000 2.638 3136 S HA 0.829 5.298 4.470 -0.002 0.000 0.298 3136 S C -0.514 174.109 174.600 0.038 0.000 1.111 3136 S CA -0.559 57.663 58.200 0.036 0.000 1.027 3136 S CB 1.319 64.544 63.200 0.041 0.000 1.064 3136 S HN 0.722 nan 8.310 nan 0.000 0.525 3137 I N 2.020 122.609 120.570 0.032 0.000 2.534 3137 I HA 0.363 4.532 4.170 -0.002 0.000 0.288 3137 I C -1.239 174.898 176.117 0.034 0.000 1.077 3137 I CA -0.617 60.703 61.300 0.032 0.000 1.051 3137 I CB 2.181 40.193 38.000 0.020 0.000 1.234 3137 I HN 0.473 nan 8.210 nan 0.000 0.425 3138 N N 4.518 123.239 118.700 0.035 0.000 2.442 3138 N HA 0.544 5.283 4.740 -0.002 0.000 0.274 3138 N C -1.128 174.396 175.510 0.024 0.000 1.002 3138 N CA -0.277 52.792 53.050 0.031 0.000 0.910 3138 N CB 2.271 40.773 38.487 0.025 0.000 1.244 3138 N HN 0.169 nan 8.380 nan 0.000 0.492 3139 V N 1.361 121.292 119.914 0.029 0.000 2.630 3139 V HA 0.509 4.628 4.120 -0.002 0.000 0.305 3139 V C -0.109 175.941 176.094 -0.074 0.000 1.046 3139 V CA -0.717 61.591 62.300 0.014 0.000 0.934 3139 V CB 1.829 33.702 31.823 0.083 0.000 1.003 3139 V HN 0.606 nan 8.190 nan 0.000 0.451 3140 E N 1.796 121.906 120.200 -0.150 0.000 2.256 3140 E HA 0.729 5.078 4.350 -0.002 0.000 0.268 3140 E C -0.465 175.897 176.600 -0.398 0.000 0.877 3140 E CA -0.324 55.896 56.400 -0.301 0.000 0.757 3140 E CB 2.195 31.796 29.700 -0.165 0.000 1.183 3140 E HN 0.923 nan 8.360 nan 0.000 0.418 3141 G N 1.380 109.695 108.800 -0.809 0.000 2.495 3141 G HA2 0.467 4.426 3.960 -0.002 0.000 0.294 3141 G HA3 0.467 4.426 3.960 -0.002 0.000 0.294 3141 G C -1.198 173.420 174.900 -0.470 0.000 1.397 3141 G CA -0.158 44.630 45.100 -0.519 0.000 0.790 3141 G HN 0.640 nan 8.290 nan 0.000 0.486 3142 S N -1.834 113.943 115.700 0.127 0.000 2.740 3142 S HA 0.923 5.392 4.470 -0.002 0.000 0.300 3142 S C -0.435 174.404 174.600 0.397 0.000 1.147 3142 S CA 0.102 58.474 58.200 0.287 0.000 0.871 3142 S CB 2.101 65.381 63.200 0.133 0.000 1.173 3142 S HN 1.828 nan 8.310 nan 0.000 0.510 3143 T N -0.705 114.008 114.554 0.265 0.000 2.718 3143 T HA 0.508 4.857 4.350 -0.002 0.000 0.306 3143 T C -1.544 173.218 174.700 0.103 0.000 1.485 3143 T CA -0.415 61.778 62.100 0.155 0.000 0.997 3143 T CB 1.331 70.252 68.868 0.088 0.000 1.504 3143 T HN 0.723 nan 8.240 nan 0.000 0.497 3144 T N 1.957 116.550 114.554 0.065 0.000 2.743 3144 T HA 0.610 4.959 4.350 -0.002 0.000 0.293 3144 T C -0.397 174.329 174.700 0.043 0.000 0.945 3144 T CA -0.288 61.844 62.100 0.053 0.000 1.030 3144 T CB 0.805 69.698 68.868 0.041 0.000 0.912 3144 T HN 0.588 nan 8.240 nan 0.000 0.483 3145 V N 4.716 124.659 119.914 0.049 0.000 2.919 3145 V HA 0.551 4.670 4.120 -0.002 0.000 0.316 3145 V C -0.490 175.632 176.094 0.047 0.000 1.077 3145 V CA -1.076 61.253 62.300 0.047 0.000 0.977 3145 V CB 2.064 33.920 31.823 0.055 0.000 1.039 3145 V HN 0.795 nan 8.190 nan 0.000 0.441 3146 N N 1.846 120.578 118.700 0.052 0.000 2.513 3146 N HA 0.260 4.999 4.740 -0.002 0.000 0.274 3146 N C -0.407 175.137 175.510 0.057 0.000 1.189 3146 N CA -0.123 52.961 53.050 0.055 0.000 0.975 3146 N CB 0.966 39.495 38.487 0.070 0.000 1.157 3146 N HN 0.724 nan 8.380 nan 0.000 0.465 3147 T N 2.996 117.581 114.554 0.052 0.000 2.752 3147 T HA 0.219 4.568 4.350 -0.002 0.000 0.295 3147 T C -2.107 172.625 174.700 0.052 0.000 0.923 3147 T CA -0.770 61.358 62.100 0.046 0.000 1.112 3147 T CB 0.312 69.203 68.868 0.038 0.000 0.884 3147 T HN 0.252 nan 8.240 nan 0.000 0.525 3148 P HA 0.110 nan 4.420 nan 0.000 0.264 3148 P C -0.159 177.158 177.300 0.029 0.000 1.193 3148 P CA -0.196 62.925 63.100 0.034 0.000 0.763 3148 P CB 0.479 32.191 31.700 0.019 0.000 0.810 3149 R N 3.281 123.798 120.500 0.028 0.000 2.294 3149 R HA 0.536 4.875 4.340 -0.002 0.000 0.319 3149 R C -0.166 176.133 176.300 -0.002 0.000 0.984 3149 R CA -0.668 55.446 56.100 0.024 0.000 0.861 3149 R CB 1.106 31.436 30.300 0.049 0.000 1.104 3149 R HN 0.475 nan 8.270 nan 0.000 0.451 3150 M N 2.119 121.718 119.600 -0.003 0.000 2.644 3150 M HA 0.425 4.904 4.480 -0.002 0.000 0.316 3150 M C -1.768 174.524 176.300 -0.013 0.000 1.200 3150 M CA -1.729 53.563 55.300 -0.013 0.000 0.944 3150 M CB 1.019 33.615 32.600 -0.007 0.000 1.691 3150 M HN 0.394 nan 8.290 nan 0.000 0.471 3151 P HA 0.381 nan 4.420 nan 0.000 0.288 3151 P C -1.198 176.079 177.300 -0.040 0.000 1.291 3151 P CA -0.473 62.612 63.100 -0.026 0.000 0.766 3151 P CB 0.523 32.206 31.700 -0.028 0.000 1.242 3152 R N 1.366 121.843 120.500 -0.038 0.000 2.310 3152 R HA 0.375 4.714 4.340 -0.002 0.000 0.324 3152 R C -0.534 175.733 176.300 -0.055 0.000 0.955 3152 R CA -0.521 55.547 56.100 -0.053 0.000 0.830 3152 R CB -0.109 30.172 30.300 -0.031 0.000 1.154 3152 R HN 0.359 nan 8.270 nan 0.000 0.458 3153 N N 3.757 122.394 118.700 -0.105 0.000 2.511 3153 N HA 0.051 4.790 4.740 -0.002 0.000 0.249 3153 N C 0.372 175.780 175.510 -0.170 0.000 0.971 3153 N CA -0.276 52.669 53.050 -0.176 0.000 0.938 3153 N CB 0.601 38.968 38.487 -0.201 0.000 1.131 3153 N HN 0.439 nan 8.380 nan 0.000 0.505 3154 F N 2.618 122.510 119.950 -0.097 0.000 2.771 3154 F HA 0.083 4.611 4.527 0.002 0.000 0.299 3154 F C 1.021 176.770 175.800 -0.084 0.000 1.177 3154 F CA 0.156 58.105 58.000 -0.085 0.000 1.450 3154 F CB -0.087 38.880 39.000 -0.055 0.000 1.114 3154 F HN 0.459 nan 8.300 nan 0.000 0.587 3155 Q N 1.127 120.662 119.800 -0.442 0.000 2.211 3155 Q HA 0.219 4.558 4.340 -0.002 0.000 0.301 3155 Q C -0.377 175.369 176.000 -0.424 0.000 0.884 3155 Q CA -0.329 55.268 55.803 -0.343 0.000 1.115 3155 Q CB 0.216 28.686 28.738 -0.446 0.000 1.217 3155 Q HN 0.683 nan 8.270 nan 0.000 0.451 3156 Q N 1.360 120.907 119.800 -0.422 0.000 3.147 3156 Q HA 0.218 4.557 4.340 -0.002 0.000 0.224 3156 Q C -1.508 174.270 176.000 -0.370 0.000 0.901 3156 Q CA -0.763 54.726 55.803 -0.523 0.000 0.729 3156 Q CB 0.576 29.135 28.738 -0.299 0.000 1.363 3156 Q HN 0.400 nan 8.270 nan 0.000 0.467 3157 F N 3.663 123.668 119.950 0.091 0.000 2.556 3157 F HA 0.286 4.812 4.527 -0.001 0.000 0.344 3157 F C 0.310 176.284 175.800 0.289 0.000 1.255 3157 F CA -1.224 56.887 58.000 0.185 0.000 1.091 3157 F CB -1.090 37.992 39.000 0.137 0.000 1.325 3157 F HN 0.316 nan 8.300 nan 0.000 0.627 3158 F N 1.179 121.204 119.950 0.126 0.000 2.290 3158 F HA 0.619 5.143 4.527 -0.005 0.000 0.282 3158 F C 0.954 176.816 175.800 0.103 0.000 1.251 3158 F CA -0.528 57.525 58.000 0.088 0.000 1.269 3158 F CB -0.410 38.616 39.000 0.043 0.000 1.455 3158 F HN 0.881 nan 8.300 nan 0.000 0.501 3159 G N -0.269 108.361 108.800 -0.284 0.000 3.277 3159 G HA2 0.347 4.305 3.960 -0.002 0.000 0.684 3159 G HA3 0.347 4.305 3.960 -0.002 0.000 0.684 3159 G C -0.646 174.174 174.900 -0.134 0.000 0.923 3159 G CA -0.489 44.367 45.100 -0.407 0.000 0.779 3159 G HN 1.676 nan 8.290 nan 0.000 0.508 3160 G N 1.753 110.572 108.800 0.031 0.000 2.741 3160 G HA2 0.930 4.889 3.960 -0.002 0.000 0.293 3160 G HA3 0.930 4.889 3.960 -0.002 0.000 0.293 3160 G C -0.643 174.278 174.900 0.035 0.000 1.457 3160 G CA 0.225 45.344 45.100 0.032 0.000 1.098 3160 G HN 1.476 nan 8.290 nan 0.000 0.536 3161 Q N 1.264 121.087 119.800 0.040 0.000 2.386 3161 Q HA 0.456 4.795 4.340 -0.002 0.000 0.274 3161 Q C -1.286 174.745 176.000 0.052 0.000 1.011 3161 Q CA -1.238 54.590 55.803 0.042 0.000 0.867 3161 Q CB 1.812 30.573 28.738 0.039 0.000 1.409 3161 Q HN 0.310 nan 8.270 nan 0.000 0.395 3162 Q N 1.425 121.259 119.800 0.056 0.000 2.373 3162 Q HA 0.304 4.643 4.340 -0.002 0.000 0.255 3162 Q C -0.966 175.080 176.000 0.076 0.000 0.980 3162 Q CA 0.240 56.086 55.803 0.072 0.000 0.882 3162 Q CB 1.211 29.992 28.738 0.072 0.000 1.249 3162 Q HN 0.566 nan 8.270 nan 0.000 0.438 3163 Q N 0.906 120.769 119.800 0.104 0.000 2.305 3163 Q HA 0.337 4.676 4.340 -0.002 0.000 0.271 3163 Q C -1.216 174.878 176.000 0.157 0.000 1.046 3163 Q CA -0.348 55.522 55.803 0.111 0.000 0.798 3163 Q CB 1.710 30.515 28.738 0.112 0.000 1.286 3163 Q HN 0.268 nan 8.270 nan 0.000 0.435 3164 K N 2.352 122.810 120.400 0.097 0.000 2.237 3164 K HA 0.568 4.887 4.320 -0.002 0.000 0.270 3164 K C -0.427 176.234 176.600 0.102 0.000 1.015 3164 K CA -0.195 56.111 56.287 0.032 0.000 0.949 3164 K CB 0.589 33.066 32.500 -0.038 0.000 0.976 3164 K HN 0.561 nan 8.250 nan 0.000 0.472 3165 F N -1.220 118.749 119.950 0.032 0.000 2.685 3165 F HA 0.618 5.144 4.527 -0.002 0.000 0.315 3165 F C -1.147 174.672 175.800 0.032 0.000 1.126 3165 F CA -1.422 56.598 58.000 0.032 0.000 0.950 3165 F CB 1.260 40.281 39.000 0.035 0.000 1.360 3165 F HN 0.212 nan 8.300 nan 0.000 0.469 3166 M N 2.079 121.758 119.600 0.132 0.000 2.393 3166 M HA 0.772 5.251 4.480 -0.002 0.000 0.299 3166 M C -1.032 175.419 176.300 0.251 0.000 1.103 3166 M CA -0.809 54.518 55.300 0.045 0.000 0.910 3166 M CB 2.367 34.984 32.600 0.028 0.000 1.659 3166 M HN 0.988 nan 8.290 nan 0.000 0.445 3167 A N 3.393 126.340 122.820 0.212 0.000 2.469 3167 A HA 1.019 5.338 4.320 -0.002 0.000 0.299 3167 A C -1.655 175.999 177.584 0.117 0.000 1.098 3167 A CA -0.769 51.397 52.037 0.215 0.000 0.737 3167 A CB 1.949 21.122 19.000 0.289 0.000 1.312 3167 A HN 0.968 nan 8.150 nan 0.000 0.414 3168 L N 0.202 121.480 121.223 0.092 0.000 2.472 3168 L HA 0.947 5.286 4.340 -0.002 0.000 0.260 3168 L C -0.439 176.455 176.870 0.040 0.000 0.963 3168 L CA -0.104 54.771 54.840 0.059 0.000 0.829 3168 L CB 1.899 43.993 42.059 0.057 0.000 1.348 3168 L HN 1.259 nan 8.230 nan 0.000 0.408 3169 G N 1.473 110.284 108.800 0.018 0.000 2.682 3169 G HA2 0.614 4.573 3.960 -0.002 0.000 0.303 3169 G HA3 0.614 4.573 3.960 -0.002 0.000 0.303 3169 G C -1.762 173.138 174.900 -0.000 0.000 1.341 3169 G CA -0.458 44.640 45.100 -0.003 0.000 0.784 3169 G HN 0.665 nan 8.290 nan 0.000 0.497 3170 S N -1.952 113.744 115.700 -0.006 0.000 2.704 3170 S HA 0.918 5.387 4.470 -0.002 0.000 0.305 3170 S C 0.094 174.693 174.600 -0.003 0.000 1.107 3170 S CA 0.038 58.240 58.200 0.004 0.000 0.993 3170 S CB 1.730 64.936 63.200 0.010 0.000 1.110 3170 S HN 1.395 nan 8.310 nan 0.000 0.534 3171 G N -0.341 108.462 108.800 0.005 0.000 2.684 3171 G HA2 0.618 4.577 3.960 -0.002 0.000 0.290 3171 G HA3 0.618 4.577 3.960 -0.002 0.000 0.290 3171 G C -2.002 172.903 174.900 0.008 0.000 1.425 3171 G CA -0.447 44.655 45.100 0.003 0.000 0.822 3171 G HN 0.612 nan 8.290 nan 0.000 0.482 3172 V N 0.987 120.905 119.914 0.008 0.000 2.531 3172 V HA 0.382 4.501 4.120 -0.002 0.000 0.301 3172 V C 0.076 176.175 176.094 0.009 0.000 1.034 3172 V CA -0.614 61.691 62.300 0.008 0.000 0.865 3172 V CB 1.648 33.478 31.823 0.011 0.000 0.995 3172 V HN 0.665 nan 8.190 nan 0.000 0.424 3173 I N 5.042 125.613 120.570 0.002 0.000 2.587 3173 I HA 0.076 4.245 4.170 -0.002 0.000 0.284 3173 I C 0.682 176.807 176.117 0.014 0.000 1.134 3173 I CA 0.460 61.760 61.300 -0.000 0.000 1.410 3173 I CB 0.778 38.763 38.000 -0.025 0.000 1.392 3173 I HN 0.567 nan 8.210 nan 0.000 0.545 3174 I N 4.196 124.790 120.570 0.039 0.000 4.323 3174 I HA 0.152 4.321 4.170 -0.002 0.000 0.328 3174 I C 0.051 176.208 176.117 0.066 0.000 1.310 3174 I CA 0.754 62.081 61.300 0.045 0.000 1.186 3174 I CB 0.253 38.275 38.000 0.037 0.000 1.130 3174 I HN 0.475 nan 8.210 nan 0.000 0.411 3175 D N -0.243 120.207 120.400 0.083 0.000 2.386 3175 D HA 0.406 5.045 4.640 -0.002 0.000 0.247 3175 D C 0.804 177.082 176.300 -0.036 0.000 1.336 3175 D CA 0.130 54.165 54.000 0.058 0.000 0.976 3175 D CB 1.562 42.465 40.800 0.172 0.000 1.257 3175 D HN 0.034 nan 8.370 nan 0.000 0.570 3176 A N 3.406 126.200 122.820 -0.043 0.000 1.933 3176 A HA -0.154 4.165 4.320 -0.002 0.000 0.218 3176 A C 1.612 179.132 177.584 -0.107 0.000 1.175 3176 A CA 1.539 53.532 52.037 -0.073 0.000 0.628 3176 A CB -0.094 18.876 19.000 -0.051 0.000 0.814 3176 A HN 0.530 nan 8.150 nan 0.000 0.444 3177 D N -0.632 119.706 120.400 -0.104 0.000 2.103 3177 D HA -0.043 4.596 4.640 -0.002 0.000 0.199 3177 D C 1.840 178.021 176.300 -0.199 0.000 0.978 3177 D CA 0.968 54.895 54.000 -0.122 0.000 0.829 3177 D CB 0.026 40.771 40.800 -0.092 0.000 0.981 3177 D HN 0.135 nan 8.370 nan 0.000 0.464 3178 K N -0.267 119.945 120.400 -0.313 0.000 2.459 3178 K HA 0.140 4.459 4.320 -0.002 0.000 0.193 3178 K C 0.882 177.134 176.600 -0.581 0.000 1.030 3178 K CA 0.597 56.541 56.287 -0.571 0.000 1.026 3178 K CB 0.377 32.214 32.500 -1.106 0.000 0.809 3178 K HN 0.217 nan 8.250 nan 0.000 0.504 3179 G N 1.783 110.369 108.800 -0.356 0.000 2.272 3179 G HA2 -0.290 3.669 3.960 -0.002 0.000 0.280 3179 G HA3 -0.290 3.669 3.960 -0.002 0.000 0.280 3179 G C -0.414 174.402 174.900 -0.140 0.000 1.067 3179 G CA -0.037 44.915 45.100 -0.246 0.000 0.902 3179 G HN 0.394 nan 8.290 nan 0.000 0.500 3180 Y N -0.820 119.441 120.300 -0.064 0.000 2.404 3180 Y HA 0.439 4.988 4.550 -0.002 0.000 0.344 3180 Y C 0.675 176.546 175.900 -0.048 0.000 0.995 3180 Y CA -1.147 56.923 58.100 -0.049 0.000 1.201 3180 Y CB 1.457 39.893 38.460 -0.041 0.000 1.151 3180 Y HN 0.065 nan 8.280 nan 0.000 0.517 3181 V N 5.797 125.791 119.914 0.133 0.000 2.448 3181 V HA 0.216 4.335 4.120 -0.002 0.000 0.295 3181 V C -0.380 175.730 176.094 0.028 0.000 1.025 3181 V CA -0.886 61.446 62.300 0.052 0.000 0.859 3181 V CB 1.785 33.621 31.823 0.023 0.000 0.988 3181 V HN 0.498 nan 8.190 nan 0.000 0.431 3182 V N 5.327 125.248 119.914 0.012 0.000 2.607 3182 V HA 0.786 4.904 4.120 -0.002 0.000 0.289 3182 V C 0.200 176.291 176.094 -0.005 0.000 1.053 3182 V CA 0.777 63.074 62.300 -0.005 0.000 0.996 3182 V CB 1.755 33.572 31.823 -0.010 0.000 0.995 3182 V HN 1.105 nan 8.190 nan 0.000 0.476 3183 T N 4.006 118.553 114.554 -0.013 0.000 2.665 3183 T HA 0.412 4.761 4.350 -0.002 0.000 0.303 3183 T C -0.984 173.692 174.700 -0.040 0.000 1.334 3183 T CA -0.721 61.364 62.100 -0.025 0.000 1.011 3183 T CB 1.246 70.095 68.868 -0.031 0.000 1.573 3183 T HN 0.745 nan 8.240 nan 0.000 0.492 3184 N N 2.391 121.034 118.700 -0.095 0.000 2.529 3184 N HA 0.268 5.007 4.740 -0.002 0.000 0.278 3184 N C 1.133 176.556 175.510 -0.145 0.000 1.146 3184 N CA -0.570 52.404 53.050 -0.126 0.000 0.980 3184 N CB 0.647 38.945 38.487 -0.316 0.000 1.124 3184 N HN 0.616 nan 8.380 nan 0.000 0.458 3185 N N 1.871 120.553 118.700 -0.030 0.000 2.381 3185 N HA -0.202 4.536 4.740 -0.002 0.000 0.182 3185 N C 0.905 176.423 175.510 0.013 0.000 1.025 3185 N CA 0.867 53.917 53.050 0.000 0.000 0.888 3185 N CB -0.014 38.498 38.487 0.041 0.000 0.965 3185 N HN 0.724 nan 8.380 nan 0.000 0.438 3186 H N -0.779 118.303 119.070 0.021 0.000 2.555 3186 H HA 0.065 4.619 4.556 -0.002 0.000 0.269 3186 H C 1.520 176.860 175.328 0.020 0.000 0.988 3186 H CA 0.413 56.466 56.048 0.008 0.000 1.178 3186 H CB 0.085 29.846 29.762 -0.002 0.000 1.373 3186 H HN 0.069 nan 8.280 nan 0.000 0.588 3187 V N 1.370 121.132 119.914 -0.254 0.000 2.521 3187 V HA -0.128 3.991 4.120 -0.002 0.000 0.239 3187 V C 2.876 178.985 176.094 0.024 0.000 1.053 3187 V CA 1.018 63.248 62.300 -0.118 0.000 1.073 3187 V CB 0.011 31.726 31.823 -0.182 0.000 0.746 3187 V HN 0.453 nan 8.190 nan 0.000 0.476 3188 V N -1.811 118.106 119.914 0.006 0.000 3.306 3188 V HA 0.111 4.230 4.120 -0.002 0.000 0.264 3188 V C 0.898 177.047 176.094 0.092 0.000 1.149 3188 V CA 0.407 62.742 62.300 0.058 0.000 1.143 3188 V CB -0.535 31.307 31.823 0.031 0.000 0.767 3188 V HN 0.458 nan 8.190 nan 0.000 0.476 3189 D N 2.218 122.662 120.400 0.073 0.000 2.533 3189 D HA -0.044 4.595 4.640 -0.002 0.000 0.236 3189 D C 0.872 177.251 176.300 0.132 0.000 1.137 3189 D CA 1.171 55.214 54.000 0.072 0.000 0.867 3189 D CB -0.056 40.767 40.800 0.038 0.000 1.170 3189 D HN 0.492 nan 8.370 nan 0.000 0.474 3190 N N 0.512 119.290 118.700 0.130 0.000 2.800 3190 N HA -0.201 4.538 4.740 -0.002 0.000 0.250 3190 N C -0.543 175.148 175.510 0.301 0.000 1.078 3190 N CA 0.956 54.129 53.050 0.205 0.000 0.804 3190 N CB -1.357 37.254 38.487 0.207 0.000 1.135 3190 N HN 0.528 nan 8.380 nan 0.000 0.565 3191 A N -0.240 122.712 122.820 0.219 0.000 2.407 3191 A HA 0.448 4.767 4.320 -0.002 0.000 0.248 3191 A C 1.322 178.971 177.584 0.109 0.000 1.082 3191 A CA 0.894 53.023 52.037 0.153 0.000 0.785 3191 A CB 0.452 19.518 19.000 0.110 0.000 1.020 3191 A HN 0.229 nan 8.150 nan 0.000 0.489 3192 T N 0.372 114.964 114.554 0.063 0.000 3.056 3192 T HA 0.235 4.584 4.350 -0.002 0.000 0.243 3192 T C 0.027 174.770 174.700 0.073 0.000 0.995 3192 T CA 0.620 62.780 62.100 0.100 0.000 1.091 3192 T CB 0.270 69.176 68.868 0.063 0.000 0.990 3192 T HN 0.378 nan 8.240 nan 0.000 0.464 3193 V N 2.829 122.753 119.914 0.016 0.000 2.525 3193 V HA 0.610 4.729 4.120 -0.002 0.000 0.299 3193 V C -1.372 174.729 176.094 0.013 0.000 1.034 3193 V CA -1.205 61.103 62.300 0.014 0.000 0.863 3193 V CB 1.795 33.610 31.823 -0.014 0.000 0.999 3193 V HN 0.430 nan 8.190 nan 0.000 0.423 3194 I N 4.155 124.746 120.570 0.034 0.000 2.410 3194 I HA 0.623 4.792 4.170 -0.002 0.000 0.286 3194 I C -0.482 175.662 176.117 0.044 0.000 1.009 3194 I CA -0.086 61.236 61.300 0.037 0.000 1.111 3194 I CB 1.171 39.198 38.000 0.046 0.000 1.262 3194 I HN 0.480 nan 8.210 nan 0.000 0.443 3195 K N 5.300 125.724 120.400 0.040 0.000 2.123 3195 K HA 0.795 5.114 4.320 -0.002 0.000 0.259 3195 K C -1.291 175.349 176.600 0.067 0.000 0.960 3195 K CA -0.939 55.381 56.287 0.055 0.000 0.872 3195 K CB 2.358 34.881 32.500 0.039 0.000 1.079 3195 K HN 0.493 nan 8.250 nan 0.000 0.440 3196 V N 2.374 122.348 119.914 0.101 0.000 2.656 3196 V HA 0.279 4.397 4.120 -0.002 0.000 0.307 3196 V C -0.891 175.297 176.094 0.156 0.000 1.051 3196 V CA -0.797 61.568 62.300 0.109 0.000 0.893 3196 V CB 1.726 33.607 31.823 0.095 0.000 0.999 3196 V HN 0.721 nan 8.190 nan 0.000 0.426 3197 Q N 3.836 123.707 119.800 0.119 0.000 2.327 3197 Q HA 0.608 4.947 4.340 -0.002 0.000 0.270 3197 Q C -1.026 175.045 176.000 0.119 0.000 1.022 3197 Q CA -0.581 55.300 55.803 0.129 0.000 0.773 3197 Q CB 1.643 30.428 28.738 0.077 0.000 1.251 3197 Q HN 0.719 nan 8.270 nan 0.000 0.457 3198 L N 1.424 122.746 121.223 0.165 0.000 2.473 3198 L HA 0.046 4.385 4.340 -0.002 0.000 0.265 3198 L C 1.604 178.521 176.870 0.079 0.000 1.243 3198 L CA 0.344 55.254 54.840 0.116 0.000 0.822 3198 L CB 0.371 42.529 42.059 0.165 0.000 1.101 3198 L HN 0.851 nan 8.230 nan 0.000 0.507 3199 S N -0.959 114.775 115.700 0.057 0.000 2.515 3199 S HA -0.120 4.349 4.470 -0.002 0.000 0.231 3199 S C 1.060 175.686 174.600 0.044 0.000 0.987 3199 S CA 0.702 58.928 58.200 0.044 0.000 0.936 3199 S CB -0.325 62.895 63.200 0.034 0.000 0.766 3199 S HN 0.835 nan 8.310 nan 0.000 0.528 3200 D N -0.011 120.421 120.400 0.053 0.000 2.340 3200 D HA 0.254 4.893 4.640 -0.002 0.000 0.220 3200 D C 1.454 177.780 176.300 0.044 0.000 1.039 3200 D CA 0.686 54.713 54.000 0.046 0.000 0.866 3200 D CB -0.478 40.352 40.800 0.049 0.000 0.913 3200 D HN 0.583 nan 8.370 nan 0.000 0.523 3201 G N 0.171 109.002 108.800 0.053 0.000 2.195 3201 G HA2 -0.290 3.669 3.960 -0.002 0.000 0.224 3201 G HA3 -0.290 3.669 3.960 -0.002 0.000 0.224 3201 G C 0.260 175.178 174.900 0.030 0.000 0.990 3201 G CA -0.218 44.905 45.100 0.038 0.000 0.639 3201 G HN 0.429 nan 8.290 nan 0.000 0.514 3202 R N 0.893 121.428 120.500 0.059 0.000 2.590 3202 R HA 0.525 4.864 4.340 -0.002 0.000 0.274 3202 R C 0.363 176.661 176.300 -0.004 0.000 1.061 3202 R CA 0.336 56.433 56.100 -0.004 0.000 1.081 3202 R CB 0.525 30.883 30.300 0.096 0.000 0.984 3202 R HN 0.241 nan 8.270 nan 0.000 0.448 3203 K N 2.454 122.715 120.400 -0.232 0.000 2.164 3203 K HA 0.444 4.763 4.320 -0.002 0.000 0.258 3203 K C -0.943 175.421 176.600 -0.393 0.000 0.951 3203 K CA -0.435 55.771 56.287 -0.136 0.000 0.844 3203 K CB 1.272 33.716 32.500 -0.093 0.000 1.099 3203 K HN 0.246 nan 8.250 nan 0.000 0.435 3204 F N -0.159 119.792 119.950 0.003 0.000 2.675 3204 F HA 0.333 4.859 4.527 -0.002 0.000 0.324 3204 F C -0.073 175.730 175.800 0.005 0.000 1.106 3204 F CA -0.951 57.051 58.000 0.002 0.000 0.970 3204 F CB 1.564 40.565 39.000 0.002 0.000 1.385 3204 F HN 0.341 nan 8.300 nan 0.000 0.489 3205 D N 0.260 120.798 120.400 0.229 0.000 2.272 3205 D HA 0.737 5.376 4.640 -0.002 0.000 0.247 3205 D C -0.927 175.444 176.300 0.118 0.000 0.990 3205 D CA -0.176 53.901 54.000 0.127 0.000 0.931 3205 D CB 2.066 42.918 40.800 0.086 0.000 1.195 3205 D HN 0.669 nan 8.370 nan 0.000 0.477 3206 A N 0.915 123.784 122.820 0.083 0.000 2.515 3206 A HA 0.700 5.018 4.320 -0.002 0.000 0.296 3206 A C -0.979 176.643 177.584 0.063 0.000 1.094 3206 A CA -0.751 51.326 52.037 0.067 0.000 0.718 3206 A CB 1.884 20.919 19.000 0.057 0.000 1.307 3206 A HN 0.364 nan 8.150 nan 0.000 0.408 3207 K N 1.269 121.707 120.400 0.063 0.000 2.426 3207 K HA 0.478 4.797 4.320 -0.002 0.000 0.251 3207 K C -0.975 175.661 176.600 0.060 0.000 0.941 3207 K CA -1.011 55.314 56.287 0.063 0.000 0.808 3207 K CB 1.707 34.245 32.500 0.064 0.000 1.265 3207 K HN 0.661 nan 8.250 nan 0.000 0.432 3208 M N 2.243 121.874 119.600 0.051 0.000 2.252 3208 M HA -0.023 4.456 4.480 -0.002 0.000 0.348 3208 M C 1.009 177.331 176.300 0.037 0.000 1.334 3208 M CA 0.415 55.739 55.300 0.039 0.000 1.071 3208 M CB 0.799 33.418 32.600 0.031 0.000 1.763 3208 M HN 0.666 nan 8.290 nan 0.000 0.452 3209 V N 2.723 122.653 119.914 0.026 0.000 3.539 3209 V HA 0.567 4.686 4.120 -0.002 0.000 0.262 3209 V C 0.365 176.450 176.094 -0.015 0.000 1.381 3209 V CA 1.181 63.490 62.300 0.015 0.000 1.060 3209 V CB 1.068 32.903 31.823 0.019 0.000 0.842 3209 V HN 0.888 nan 8.190 nan 0.000 0.445 3210 G N 0.630 109.419 108.800 -0.020 0.000 2.579 3210 G HA2 0.579 4.538 3.960 -0.002 0.000 0.292 3210 G HA3 0.579 4.538 3.960 -0.002 0.000 0.292 3210 G C -1.579 173.312 174.900 -0.015 0.000 1.484 3210 G CA -0.295 44.792 45.100 -0.022 0.000 0.813 3210 G HN 0.656 nan 8.290 nan 0.000 0.515 3211 K N -0.363 120.033 120.400 -0.007 0.000 2.587 3211 K HA 0.684 5.003 4.320 -0.002 0.000 0.276 3211 K C -2.389 174.213 176.600 0.004 0.000 0.956 3211 K CA -0.973 55.313 56.287 -0.000 0.000 0.857 3211 K CB 2.691 35.195 32.500 0.008 0.000 1.431 3211 K HN 0.490 nan 8.250 nan 0.000 0.420 3212 D N 2.287 122.692 120.400 0.009 0.000 2.337 3212 D HA 0.322 4.961 4.640 -0.002 0.000 0.238 3212 D C -2.184 174.130 176.300 0.024 0.000 1.331 3212 D CA -1.806 52.201 54.000 0.011 0.000 0.967 3212 D CB 1.991 42.793 40.800 0.002 0.000 1.382 3212 D HN 0.275 nan 8.370 nan 0.000 0.549 3213 P HA -0.194 nan 4.420 nan 0.000 0.217 3213 P C 1.511 178.842 177.300 0.052 0.000 1.148 3213 P CA 0.717 63.842 63.100 0.042 0.000 0.834 3213 P CB 0.280 32.000 31.700 0.033 0.000 0.783 3214 R N 0.022 120.547 120.500 0.041 0.000 2.088 3214 R HA -0.102 4.237 4.340 -0.002 0.000 0.232 3214 R C 2.384 178.730 176.300 0.077 0.000 1.136 3214 R CA 2.363 58.493 56.100 0.051 0.000 0.926 3214 R CB -1.561 28.754 30.300 0.025 0.000 0.837 3214 R HN 0.315 nan 8.270 nan 0.000 0.429 3215 S N 0.287 116.013 115.700 0.044 0.000 2.522 3215 S HA -0.107 4.362 4.470 -0.002 0.000 0.227 3215 S C 0.422 175.081 174.600 0.098 0.000 0.986 3215 S CA 0.933 59.153 58.200 0.034 0.000 0.929 3215 S CB -0.051 63.133 63.200 -0.027 0.000 0.769 3215 S HN 0.416 nan 8.310 nan 0.000 0.529 3216 D N -0.038 120.422 120.400 0.099 0.000 2.800 3216 D HA -0.150 4.489 4.640 -0.002 0.000 0.232 3216 D C -0.763 175.595 176.300 0.097 0.000 1.137 3216 D CA 0.604 54.679 54.000 0.126 0.000 0.718 3216 D CB -1.692 39.223 40.800 0.192 0.000 1.084 3216 D HN 0.526 nan 8.370 nan 0.000 0.432 3217 I N 0.094 120.694 120.570 0.050 0.000 2.474 3217 I HA 0.737 4.906 4.170 -0.002 0.000 0.294 3217 I C 0.537 176.656 176.117 0.004 0.000 1.005 3217 I CA -0.680 60.633 61.300 0.022 0.000 1.113 3217 I CB 1.513 39.516 38.000 0.006 0.000 1.289 3217 I HN 0.214 nan 8.210 nan 0.000 0.436 3218 A N 6.901 129.716 122.820 -0.009 0.000 2.498 3218 A HA 0.797 5.116 4.320 -0.002 0.000 0.298 3218 A C -1.547 176.022 177.584 -0.025 0.000 1.075 3218 A CA -0.567 51.460 52.037 -0.015 0.000 0.714 3218 A CB 2.280 21.274 19.000 -0.011 0.000 1.299 3218 A HN 0.668 nan 8.150 nan 0.000 0.407 3219 L N 2.526 123.729 121.223 -0.034 0.000 2.346 3219 L HA 0.760 5.099 4.340 -0.002 0.000 0.276 3219 L C -0.788 176.075 176.870 -0.012 0.000 1.006 3219 L CA -0.790 54.021 54.840 -0.048 0.000 0.817 3219 L CB 1.503 43.488 42.059 -0.123 0.000 1.272 3219 L HN 0.850 nan 8.230 nan 0.000 0.421 3220 I N 0.500 121.085 120.570 0.025 0.000 3.174 3220 I HA 0.548 4.717 4.170 -0.002 0.000 0.313 3220 I C -1.379 174.820 176.117 0.137 0.000 1.155 3220 I CA -0.827 60.510 61.300 0.063 0.000 0.977 3220 I CB 2.441 40.468 38.000 0.045 0.000 1.248 3220 I HN 0.576 nan 8.210 nan 0.000 0.453 3221 Q N 2.503 122.379 119.800 0.126 0.000 2.292 3221 Q HA 0.552 4.891 4.340 -0.002 0.000 0.270 3221 Q C -1.342 174.677 176.000 0.032 0.000 1.024 3221 Q CA -0.807 55.069 55.803 0.121 0.000 0.768 3221 Q CB 2.537 31.364 28.738 0.150 0.000 1.250 3221 Q HN 0.662 nan 8.270 nan 0.000 0.447 3222 I N 3.614 124.164 120.570 -0.034 0.000 2.598 3222 I HA -0.052 4.117 4.170 -0.002 0.000 0.284 3222 I C 0.256 176.352 176.117 -0.034 0.000 1.140 3222 I CA 0.074 61.334 61.300 -0.068 0.000 1.420 3222 I CB 0.548 38.397 38.000 -0.251 0.000 1.387 3222 I HN 0.366 nan 8.210 nan 0.000 0.553 3223 Q N 6.654 126.482 119.800 0.047 0.000 2.295 3223 Q HA 0.142 4.481 4.340 -0.002 0.000 0.259 3223 Q C -0.196 175.873 176.000 0.115 0.000 0.976 3223 Q CA 0.055 55.897 55.803 0.065 0.000 0.923 3223 Q CB 0.615 29.402 28.738 0.081 0.000 1.185 3223 Q HN 0.552 nan 8.270 nan 0.000 0.410 3224 N N 1.101 119.841 118.700 0.067 0.000 2.806 3224 N HA -0.103 4.636 4.740 -0.002 0.000 0.248 3224 N C -2.472 173.123 175.510 0.141 0.000 1.081 3224 N CA 0.187 53.300 53.050 0.104 0.000 0.680 3224 N CB -1.181 37.393 38.487 0.145 0.000 0.941 3224 N HN 0.442 nan 8.380 nan 0.000 0.554 3225 P HA 0.247 nan 4.420 nan 0.000 0.272 3225 P C -0.161 177.136 177.300 -0.006 0.000 1.223 3225 P CA 0.308 63.309 63.100 -0.165 0.000 0.784 3225 P CB 1.029 32.591 31.700 -0.229 0.000 0.923 3226 K N 1.830 122.247 120.400 0.029 0.000 2.535 3226 K HA 0.233 4.551 4.320 -0.002 0.000 0.251 3226 K C -0.667 175.966 176.600 0.055 0.000 0.942 3226 K CA -0.524 55.812 56.287 0.082 0.000 0.798 3226 K CB 0.574 33.174 32.500 0.167 0.000 1.267 3226 K HN 0.356 nan 8.250 nan 0.000 0.434 3227 N N 2.826 121.538 118.700 0.019 0.000 2.650 3227 N HA -0.225 4.514 4.740 -0.002 0.000 0.272 3227 N C -1.187 174.320 175.510 -0.006 0.000 1.058 3227 N CA 0.767 53.824 53.050 0.012 0.000 0.765 3227 N CB -0.766 37.742 38.487 0.034 0.000 0.902 3227 N HN 0.344 nan 8.380 nan 0.000 0.551 3228 L N 0.518 121.714 121.223 -0.045 0.000 2.332 3228 L HA 0.547 4.886 4.340 -0.002 0.000 0.269 3228 L C 0.784 177.629 176.870 -0.042 0.000 1.016 3228 L CA -0.150 54.650 54.840 -0.067 0.000 0.809 3228 L CB 1.799 43.783 42.059 -0.126 0.000 1.280 3228 L HN 0.161 nan 8.230 nan 0.000 0.447 3229 T N 1.471 116.004 114.554 -0.035 0.000 2.824 3229 T HA 0.805 5.154 4.350 -0.002 0.000 0.282 3229 T C -0.656 174.032 174.700 -0.020 0.000 0.993 3229 T CA -0.548 61.540 62.100 -0.021 0.000 0.967 3229 T CB 1.601 70.463 68.868 -0.009 0.000 0.960 3229 T HN 0.684 nan 8.240 nan 0.000 0.441 3230 A N 3.103 125.914 122.820 -0.015 0.000 2.325 3230 A HA 0.813 5.132 4.320 -0.002 0.000 0.333 3230 A C -0.136 177.448 177.584 -0.001 0.000 1.155 3230 A CA -0.781 51.252 52.037 -0.007 0.000 0.814 3230 A CB 0.549 19.546 19.000 -0.004 0.000 1.206 3230 A HN 0.942 nan 8.150 nan 0.000 0.482 3231 I N 0.878 121.450 120.570 0.003 0.000 2.823 3231 I HA 0.234 4.403 4.170 -0.002 0.000 0.290 3231 I C 0.590 176.711 176.117 0.006 0.000 1.091 3231 I CA -0.337 60.966 61.300 0.005 0.000 1.365 3231 I CB 0.723 38.728 38.000 0.008 0.000 1.427 3231 I HN 0.704 nan 8.210 nan 0.000 0.583 3232 K N 7.087 127.490 120.400 0.006 0.000 2.172 3232 K HA 0.365 4.684 4.320 -0.002 0.000 0.276 3232 K C -1.034 175.570 176.600 0.006 0.000 1.013 3232 K CA -0.562 55.728 56.287 0.005 0.000 0.913 3232 K CB 1.035 33.538 32.500 0.005 0.000 1.055 3232 K HN 0.622 nan 8.250 nan 0.000 0.461 3233 M N 3.337 122.940 119.600 0.004 0.000 2.188 3233 M HA 0.264 4.743 4.480 -0.002 0.000 0.357 3233 M C -0.141 176.160 176.300 0.002 0.000 1.204 3233 M CA -0.439 54.862 55.300 0.003 0.000 1.095 3233 M CB 1.712 34.311 32.600 -0.000 0.000 1.604 3233 M HN 0.777 nan 8.290 nan 0.000 0.464 3234 A N 1.835 124.657 122.820 0.003 0.000 2.242 3234 A HA 0.345 4.664 4.320 -0.002 0.000 0.304 3234 A C -0.572 177.011 177.584 -0.001 0.000 1.100 3234 A CA -0.577 51.461 52.037 0.003 0.000 0.860 3234 A CB 0.500 19.504 19.000 0.006 0.000 1.168 3234 A HN 0.713 nan 8.150 nan 0.000 0.503 3235 D N 0.238 120.637 120.400 -0.002 0.000 2.393 3235 D HA 0.294 4.933 4.640 -0.002 0.000 0.232 3235 D C 1.033 177.329 176.300 -0.007 0.000 1.192 3235 D CA 0.299 54.296 54.000 -0.005 0.000 0.882 3235 D CB 0.387 41.184 40.800 -0.005 0.000 1.038 3235 D HN 0.272 nan 8.370 nan 0.000 0.499 3236 S N 2.750 118.445 115.700 -0.009 0.000 2.400 3236 S HA -0.207 4.261 4.470 -0.002 0.000 0.234 3236 S C 1.199 175.792 174.600 -0.013 0.000 1.049 3236 S CA 1.128 59.321 58.200 -0.011 0.000 1.039 3236 S CB -0.051 63.139 63.200 -0.017 0.000 0.856 3236 S HN 0.601 nan 8.310 nan 0.000 0.465 3237 D N 1.343 121.736 120.400 -0.013 0.000 2.311 3237 D HA -0.014 4.625 4.640 -0.002 0.000 0.212 3237 D C 1.527 177.820 176.300 -0.012 0.000 0.972 3237 D CA 0.948 54.940 54.000 -0.013 0.000 0.887 3237 D CB -0.210 40.583 40.800 -0.012 0.000 0.915 3237 D HN 0.477 nan 8.370 nan 0.000 0.497 3238 A N 0.071 122.885 122.820 -0.010 0.000 2.337 3238 A HA 0.175 4.494 4.320 -0.002 0.000 0.227 3238 A C 0.917 178.493 177.584 -0.013 0.000 1.259 3238 A CA -0.240 51.791 52.037 -0.010 0.000 0.870 3238 A CB -0.150 18.846 19.000 -0.007 0.000 0.927 3238 A HN 0.111 nan 8.150 nan 0.000 0.497 3239 L N 0.642 121.856 121.223 -0.014 0.000 2.417 3239 L HA 0.341 4.680 4.340 -0.002 0.000 0.268 3239 L C 0.461 177.315 176.870 -0.026 0.000 1.158 3239 L CA 0.032 54.861 54.840 -0.019 0.000 0.819 3239 L CB 0.625 42.673 42.059 -0.017 0.000 1.112 3239 L HN 0.343 nan 8.230 nan 0.000 0.458 3240 R N 1.364 121.843 120.500 -0.036 0.000 2.725 3240 R HA 0.280 4.619 4.340 -0.002 0.000 0.277 3240 R C 0.633 176.896 176.300 -0.061 0.000 0.987 3240 R CA -0.849 55.225 56.100 -0.044 0.000 0.901 3240 R CB 2.066 32.339 30.300 -0.044 0.000 1.207 3240 R HN 0.314 nan 8.270 nan 0.000 0.463 3241 V N 1.218 121.095 119.914 -0.061 0.000 2.282 3241 V HA -0.230 3.889 4.120 -0.002 0.000 0.249 3241 V C 1.963 177.992 176.094 -0.107 0.000 1.057 3241 V CA 2.594 64.850 62.300 -0.073 0.000 1.032 3241 V CB -0.483 31.304 31.823 -0.060 0.000 0.645 3241 V HN 1.085 nan 8.190 nan 0.000 0.447 3242 G N -0.686 108.038 108.800 -0.126 0.000 2.776 3242 G HA2 -0.075 3.884 3.960 -0.002 0.000 0.209 3242 G HA3 -0.075 3.884 3.960 -0.002 0.000 0.209 3242 G C 0.237 174.944 174.900 -0.322 0.000 1.145 3242 G CA -0.084 44.897 45.100 -0.199 0.000 0.791 3242 G HN 0.457 nan 8.290 nan 0.000 0.530 3243 D N -0.055 120.211 120.400 -0.224 0.000 2.443 3243 D HA 0.115 4.754 4.640 -0.002 0.000 0.239 3243 D C -0.032 176.126 176.300 -0.236 0.000 1.136 3243 D CA 0.146 54.014 54.000 -0.219 0.000 0.879 3243 D CB 0.564 41.311 40.800 -0.089 0.000 1.195 3243 D HN 0.257 nan 8.370 nan 0.000 0.443 3244 Y N 0.488 120.787 120.300 -0.003 0.000 2.346 3244 Y HA 0.221 4.770 4.550 -0.002 0.000 0.330 3244 Y C 1.304 177.203 175.900 -0.000 0.000 1.178 3244 Y CA 0.253 58.352 58.100 -0.001 0.000 1.331 3244 Y CB 1.071 39.532 38.460 0.001 0.000 1.253 3244 Y HN 0.078 nan 8.280 nan 0.000 0.529 3245 T N 2.850 117.525 114.554 0.202 0.000 2.900 3245 T HA 0.519 4.868 4.350 -0.002 0.000 0.295 3245 T C -1.698 173.054 174.700 0.087 0.000 1.044 3245 T CA -0.663 61.501 62.100 0.106 0.000 0.995 3245 T CB 1.590 70.497 68.868 0.065 0.000 1.072 3245 T HN 0.395 nan 8.240 nan 0.000 0.473 3246 V N 2.509 122.459 119.914 0.059 0.000 2.623 3246 V HA 0.873 4.992 4.120 -0.002 0.000 0.304 3246 V C -0.832 175.285 176.094 0.037 0.000 1.054 3246 V CA -0.508 61.819 62.300 0.044 0.000 0.882 3246 V CB 1.249 33.091 31.823 0.032 0.000 1.002 3246 V HN 1.108 nan 8.190 nan 0.000 0.424 3247 A N 7.416 130.257 122.820 0.036 0.000 2.325 3247 A HA 0.936 5.255 4.320 -0.002 0.000 0.333 3247 A C -0.760 176.841 177.584 0.029 0.000 1.155 3247 A CA -0.661 51.396 52.037 0.034 0.000 0.814 3247 A CB 0.975 19.997 19.000 0.035 0.000 1.206 3247 A HN 0.879 nan 8.150 nan 0.000 0.482 3248 I N 1.444 122.030 120.570 0.027 0.000 2.499 3248 I HA 0.669 4.838 4.170 -0.002 0.000 0.288 3248 I C 0.463 176.592 176.117 0.021 0.000 1.048 3248 I CA -0.276 61.038 61.300 0.024 0.000 1.062 3248 I CB 2.315 40.329 38.000 0.023 0.000 1.238 3248 I HN 0.852 nan 8.210 nan 0.000 0.426 3249 G N 3.638 112.448 108.800 0.016 0.000 2.619 3249 G HA2 0.255 4.214 3.960 -0.002 0.000 0.305 3249 G HA3 0.255 4.214 3.960 -0.002 0.000 0.305 3249 G C -1.806 173.094 174.900 0.000 0.000 1.330 3249 G CA -0.708 44.396 45.100 0.007 0.000 0.789 3249 G HN 0.630 nan 8.290 nan 0.000 0.487 3250 N N 0.596 119.288 118.700 -0.013 0.000 2.918 3250 N HA 0.393 5.132 4.740 -0.002 0.000 0.270 3250 N C -1.545 173.919 175.510 -0.076 0.000 1.536 3250 N CA -1.673 51.370 53.050 -0.011 0.000 0.877 3250 N CB 1.611 40.106 38.487 0.013 0.000 1.190 3250 N HN 0.085 nan 8.380 nan 0.000 0.492 3251 P HA -0.186 nan 4.420 nan 0.000 0.216 3251 P C -0.183 176.658 177.300 -0.766 0.000 1.167 3251 P CA 1.699 64.465 63.100 -0.555 0.000 0.933 3251 P CB 0.098 31.412 31.700 -0.644 0.000 0.793 3252 F N -3.900 116.072 119.950 0.037 0.000 2.735 3252 F HA 0.493 5.019 4.527 -0.002 0.000 0.308 3252 F C 1.647 177.469 175.800 0.035 0.000 1.112 3252 F CA 0.313 58.334 58.000 0.035 0.000 1.235 3252 F CB 0.260 39.276 39.000 0.028 0.000 1.027 3252 F HN 0.066 nan 8.300 nan 0.000 0.528 3253 G N 0.895 109.774 108.800 0.133 0.000 2.383 3253 G HA2 -0.347 3.612 3.960 -0.002 0.000 0.229 3253 G HA3 -0.347 3.612 3.960 -0.002 0.000 0.229 3253 G C 1.077 176.041 174.900 0.106 0.000 1.089 3253 G CA 0.279 45.442 45.100 0.106 0.000 0.640 3253 G HN 0.326 nan 8.290 nan 0.000 0.510 3254 L N 1.550 122.859 121.223 0.143 0.000 2.661 3254 L HA 0.363 4.702 4.340 -0.002 0.000 0.236 3254 L C 1.661 178.585 176.870 0.089 0.000 1.176 3254 L CA 1.092 55.998 54.840 0.110 0.000 0.836 3254 L CB -1.280 40.850 42.059 0.120 0.000 0.960 3254 L HN 1.456 nan 8.230 nan 0.000 0.455 3255 G N -0.482 108.367 108.800 0.083 0.000 2.270 3255 G HA2 -0.056 3.903 3.960 -0.002 0.000 0.268 3255 G HA3 -0.056 3.903 3.960 -0.002 0.000 0.268 3255 G C -1.340 173.593 174.900 0.056 0.000 1.312 3255 G CA -0.856 44.282 45.100 0.063 0.000 1.050 3255 G HN -0.026 nan 8.290 nan 0.000 0.474 3256 E N 1.453 121.681 120.200 0.048 0.000 2.035 3256 E HA 0.507 4.856 4.350 -0.002 0.000 0.271 3256 E C -0.382 176.244 176.600 0.043 0.000 0.953 3256 E CA -0.166 56.258 56.400 0.040 0.000 0.777 3256 E CB 1.087 30.807 29.700 0.034 0.000 1.104 3256 E HN 0.504 nan 8.360 nan 0.000 0.408 3257 T N 1.160 115.741 114.554 0.045 0.000 2.829 3257 T HA 0.389 4.738 4.350 -0.002 0.000 0.282 3257 T C 0.155 174.878 174.700 0.038 0.000 0.990 3257 T CA -0.687 61.443 62.100 0.051 0.000 1.028 3257 T CB 1.631 70.540 68.868 0.068 0.000 0.951 3257 T HN 0.254 nan 8.240 nan 0.000 0.460 3258 V N 1.924 121.861 119.914 0.037 0.000 2.628 3258 V HA 0.889 5.008 4.120 -0.002 0.000 0.306 3258 V C -0.463 175.651 176.094 0.034 0.000 1.045 3258 V CA -0.188 62.131 62.300 0.031 0.000 0.905 3258 V CB 1.982 33.820 31.823 0.025 0.000 0.997 3258 V HN 0.925 nan 8.190 nan 0.000 0.436 3259 T N 3.734 118.308 114.554 0.033 0.000 2.909 3259 T HA 0.712 5.061 4.350 -0.002 0.000 0.299 3259 T C -0.461 174.259 174.700 0.033 0.000 1.073 3259 T CA 0.216 62.337 62.100 0.036 0.000 0.999 3259 T CB 1.635 70.528 68.868 0.041 0.000 1.098 3259 T HN 1.554 nan 8.240 nan 0.000 0.477 3260 S N 2.035 117.754 115.700 0.033 0.000 2.726 3260 S HA 1.033 5.502 4.470 -0.002 0.000 0.308 3260 S C 0.273 174.907 174.600 0.057 0.000 1.115 3260 S CA 0.225 58.448 58.200 0.038 0.000 0.965 3260 S CB 1.699 64.908 63.200 0.014 0.000 1.145 3260 S HN 1.431 nan 8.310 nan 0.000 0.532 3261 G N 0.227 109.082 108.800 0.091 0.000 2.512 3261 G HA2 0.401 4.360 3.960 -0.002 0.000 0.181 3261 G HA3 0.401 4.360 3.960 -0.002 0.000 0.181 3261 G C -1.295 173.715 174.900 0.183 0.000 1.173 3261 G CA -0.191 44.981 45.100 0.119 0.000 0.988 3261 G HN 1.698 nan 8.290 nan 0.000 0.485 3262 I N -2.452 118.175 120.570 0.094 0.000 3.279 3262 I HA 0.786 4.954 4.170 -0.002 0.000 0.315 3262 I C -0.759 175.347 176.117 -0.018 0.000 1.225 3262 I CA -1.425 59.892 61.300 0.028 0.000 0.947 3262 I CB 1.932 39.896 38.000 -0.059 0.000 1.293 3262 I HN 0.379 nan 8.210 nan 0.000 0.468 3263 V N 2.997 122.879 119.914 -0.053 0.000 2.397 3263 V HA 0.094 4.213 4.120 -0.002 0.000 0.262 3263 V C 1.077 177.131 176.094 -0.067 0.000 1.047 3263 V CA 0.471 62.738 62.300 -0.056 0.000 1.003 3263 V CB 0.361 32.149 31.823 -0.059 0.000 1.037 3263 V HN 0.892 nan 8.190 nan 0.000 0.480 3264 S N 3.498 119.154 115.700 -0.072 0.000 2.406 3264 S HA 0.312 4.781 4.470 -0.002 0.000 0.224 3264 S C 0.700 175.253 174.600 -0.078 0.000 1.030 3264 S CA 0.837 58.991 58.200 -0.075 0.000 0.958 3264 S CB 0.263 63.411 63.200 -0.086 0.000 0.811 3264 S HN 0.958 nan 8.310 nan 0.000 0.489 3265 A N 0.597 123.362 122.820 -0.092 0.000 2.513 3265 A HA 0.638 4.957 4.320 -0.002 0.000 0.296 3265 A C -1.444 176.099 177.584 -0.069 0.000 1.052 3265 A CA -0.472 51.517 52.037 -0.079 0.000 0.714 3265 A CB 0.934 19.873 19.000 -0.102 0.000 1.279 3265 A HN 0.131 nan 8.150 nan 0.000 0.397 3266 L N 3.475 124.674 121.223 -0.041 0.000 2.956 3266 L HA 0.418 4.757 4.340 -0.002 0.000 0.232 3266 L C 1.603 178.471 176.870 -0.003 0.000 1.291 3266 L CA 1.165 55.991 54.840 -0.024 0.000 1.122 3266 L CB -0.685 41.360 42.059 -0.023 0.000 1.461 3266 L HN 1.352 nan 8.230 nan 0.000 0.470 3267 G N 1.568 110.375 108.800 0.011 0.000 2.999 3267 G HA2 -0.479 3.480 3.960 -0.002 0.000 0.335 3267 G HA3 -0.479 3.480 3.960 -0.002 0.000 0.335 3267 G C 0.977 175.895 174.900 0.030 0.000 1.346 3267 G CA 1.084 46.211 45.100 0.046 0.000 1.351 3267 G HN 0.594 nan 8.290 nan 0.000 0.902 3268 R N -0.097 120.417 120.500 0.023 0.000 3.418 3268 R HA -0.124 4.215 4.340 -0.002 0.000 0.274 3268 R C 0.625 176.936 176.300 0.018 0.000 1.108 3268 R CA 1.319 57.427 56.100 0.012 0.000 0.741 3268 R CB -1.984 28.319 30.300 0.004 0.000 1.223 3268 R HN 1.026 nan 8.270 nan 0.000 0.434 3269 E N -0.328 119.912 120.200 0.066 0.000 2.481 3269 E HA -0.139 4.210 4.350 -0.002 0.000 0.263 3269 E C 0.133 176.741 176.600 0.014 0.000 0.992 3269 E CA 0.056 56.452 56.400 -0.007 0.000 0.938 3269 E CB 0.317 29.954 29.700 -0.106 0.000 0.933 3269 E HN 0.280 nan 8.360 nan 0.000 0.453 3270 N N 2.770 121.450 118.700 -0.033 0.000 3.063 3270 N HA -0.059 4.680 4.740 -0.002 0.000 0.327 3270 N C -1.100 174.412 175.510 0.003 0.000 1.225 3270 N CA -0.022 53.025 53.050 -0.005 0.000 1.184 3270 N CB -1.238 37.234 38.487 -0.025 0.000 1.438 3270 N HN 0.349 nan 8.380 nan 0.000 0.555 3271 F N 0.723 120.692 119.950 0.032 0.000 2.572 3271 F HA 0.100 4.626 4.527 -0.002 0.000 0.370 3271 F C 1.230 177.014 175.800 -0.028 0.000 1.103 3271 F CA -0.078 57.952 58.000 0.049 0.000 1.286 3271 F CB 0.498 39.589 39.000 0.152 0.000 1.105 3271 F HN 0.102 nan 8.300 nan 0.000 0.583 3272 I N 3.658 124.328 120.570 0.167 0.000 2.440 3272 I HA 0.186 4.354 4.170 -0.002 0.000 0.294 3272 I C -0.250 175.806 176.117 -0.101 0.000 0.995 3272 I CA -0.518 60.795 61.300 0.022 0.000 1.306 3272 I CB 1.431 39.441 38.000 0.017 0.000 1.407 3272 I HN 0.513 nan 8.210 nan 0.000 0.501 3273 Q N 3.446 123.125 119.800 -0.201 0.000 2.316 3273 Q HA 0.491 4.830 4.340 -0.002 0.000 0.264 3273 Q C -0.858 175.024 176.000 -0.196 0.000 0.987 3273 Q CA -0.350 55.229 55.803 -0.374 0.000 0.852 3273 Q CB 2.279 30.763 28.738 -0.424 0.000 1.287 3273 Q HN 0.658 nan 8.270 nan 0.000 0.448 3274 T N 0.517 114.974 114.554 -0.163 0.000 2.894 3274 T HA 0.178 4.527 4.350 -0.002 0.000 0.309 3274 T C -0.629 174.047 174.700 -0.039 0.000 1.208 3274 T CA -0.681 61.376 62.100 -0.071 0.000 1.016 3274 T CB 0.945 69.796 68.868 -0.028 0.000 1.192 3274 T HN 0.709 nan 8.240 nan 0.000 0.491 3275 D N 1.812 122.204 120.400 -0.013 0.000 2.328 3275 D HA 0.229 4.868 4.640 -0.002 0.000 0.226 3275 D C 0.796 177.112 176.300 0.027 0.000 1.066 3275 D CA -0.164 53.841 54.000 0.008 0.000 0.861 3275 D CB -0.102 40.706 40.800 0.013 0.000 0.912 3275 D HN 0.514 nan 8.370 nan 0.000 0.521 3276 A N 0.147 122.984 122.820 0.029 0.000 3.004 3276 A HA 0.653 4.972 4.320 -0.002 0.000 0.286 3276 A C 0.532 178.139 177.584 0.038 0.000 1.632 3276 A CA -0.114 51.946 52.037 0.038 0.000 1.339 3276 A CB -0.516 18.509 19.000 0.043 0.000 1.136 3276 A HN 0.354 nan 8.150 nan 0.000 0.577 3277 A N 1.403 124.247 122.820 0.040 0.000 3.907 3277 A HA 0.946 5.265 4.320 -0.002 0.000 0.166 3277 A C -0.775 176.831 177.584 0.036 0.000 0.948 3277 A CA -0.311 51.750 52.037 0.041 0.000 1.077 3277 A CB 0.421 19.451 19.000 0.051 0.000 1.553 3277 A HN 1.054 nan 8.150 nan 0.000 0.740 3278 I N -1.237 119.353 120.570 0.035 0.000 2.731 3278 I HA 0.250 4.419 4.170 -0.002 0.000 0.286 3278 I C -0.966 175.190 176.117 0.065 0.000 1.421 3278 I CA -0.854 60.474 61.300 0.047 0.000 1.071 3278 I CB 0.972 38.967 38.000 -0.007 0.000 1.375 3278 I HN 0.414 nan 8.210 nan 0.000 0.425 3279 N N 5.800 124.564 118.700 0.107 0.000 2.429 3279 N HA 0.192 4.931 4.740 -0.002 0.000 0.271 3279 N C 0.663 176.270 175.510 0.161 0.000 1.272 3279 N CA 0.623 53.739 53.050 0.110 0.000 0.921 3279 N CB 0.204 38.751 38.487 0.099 0.000 1.128 3279 N HN 0.671 nan 8.380 nan 0.000 0.481 3280 R N 0.102 120.667 120.500 0.109 0.000 3.840 3280 R HA -0.135 4.204 4.340 -0.002 0.000 0.464 3280 R C 0.590 176.955 176.300 0.109 0.000 0.986 3280 R CA 1.109 57.284 56.100 0.125 0.000 1.305 3280 R CB -2.080 28.325 30.300 0.174 0.000 1.950 3280 R HN 0.604 nan 8.270 nan 0.000 0.526 3281 G N 0.386 109.173 108.800 -0.021 0.000 2.502 3281 G HA2 0.435 4.394 3.960 -0.002 0.000 0.305 3281 G HA3 0.435 4.394 3.960 -0.002 0.000 0.305 3281 G C -0.205 174.577 174.900 -0.197 0.000 1.190 3281 G CA -0.592 44.317 45.100 -0.317 0.000 0.933 3281 G HN 0.034 nan 8.290 nan 0.000 0.503 3282 N N 0.305 118.870 118.700 -0.224 0.000 2.497 3282 N HA 0.337 5.076 4.740 -0.002 0.000 0.271 3282 N C 0.754 176.233 175.510 -0.052 0.000 1.142 3282 N CA 0.192 53.184 53.050 -0.096 0.000 0.965 3282 N CB 1.199 39.664 38.487 -0.037 0.000 1.077 3282 N HN 0.732 nan 8.380 nan 0.000 0.462 3283 S N 1.066 116.760 115.700 -0.009 0.000 2.973 3283 S HA 0.166 4.635 4.470 -0.002 0.000 0.357 3283 S C 1.412 176.072 174.600 0.100 0.000 1.159 3283 S CA 0.127 58.355 58.200 0.046 0.000 1.423 3283 S CB -0.668 62.559 63.200 0.045 0.000 1.115 3283 S HN 0.598 nan 8.310 nan 0.000 0.563 3284 G N 2.407 111.233 108.800 0.044 0.000 2.355 3284 G HA2 0.429 4.388 3.960 -0.002 0.000 0.175 3284 G HA3 0.429 4.388 3.960 -0.002 0.000 0.175 3284 G C 1.050 175.983 174.900 0.055 0.000 1.624 3284 G CA 0.825 45.946 45.100 0.035 0.000 1.021 3284 G HN 1.180 nan 8.290 nan 0.000 0.465 3285 G N -0.913 107.912 108.800 0.041 0.000 2.509 3285 G HA2 0.508 4.467 3.960 -0.002 0.000 0.168 3285 G HA3 0.508 4.467 3.960 -0.002 0.000 0.168 3285 G C 0.391 175.316 174.900 0.042 0.000 1.415 3285 G CA 0.833 45.957 45.100 0.041 0.000 0.686 3285 G HN 1.119 nan 8.290 nan 0.000 0.677 3286 A N 0.485 123.324 122.820 0.032 0.000 2.363 3286 A HA 0.682 5.001 4.320 -0.002 0.000 0.270 3286 A C -0.622 176.982 177.584 0.034 0.000 1.121 3286 A CA -0.110 51.946 52.037 0.031 0.000 0.800 3286 A CB 0.502 19.516 19.000 0.024 0.000 1.052 3286 A HN 0.453 nan 8.150 nan 0.000 0.493 3287 L N 4.044 125.288 121.223 0.035 0.000 2.349 3287 L HA 0.593 4.932 4.340 -0.002 0.000 0.278 3287 L C -1.238 175.650 176.870 0.030 0.000 0.996 3287 L CA -0.446 54.415 54.840 0.036 0.000 0.825 3287 L CB 1.527 43.610 42.059 0.040 0.000 1.243 3287 L HN 0.516 nan 8.230 nan 0.000 0.412 3288 V N 4.251 124.184 119.914 0.031 0.000 2.823 3288 V HA 0.393 4.512 4.120 -0.002 0.000 0.312 3288 V C -0.254 175.861 176.094 0.036 0.000 1.072 3288 V CA -0.798 61.519 62.300 0.029 0.000 0.937 3288 V CB 2.543 34.381 31.823 0.025 0.000 1.013 3288 V HN 0.945 nan 8.190 nan 0.000 0.430 3289 N N 3.386 122.107 118.700 0.035 0.000 2.418 3289 N HA 0.217 4.956 4.740 -0.002 0.000 0.283 3289 N C 0.464 176.002 175.510 0.048 0.000 1.267 3289 N CA -0.556 52.522 53.050 0.047 0.000 0.975 3289 N CB 0.293 38.804 38.487 0.040 0.000 1.167 3289 N HN 0.319 nan 8.380 nan 0.000 0.581 3290 L N -0.720 120.541 121.223 0.063 0.000 2.549 3290 L HA 0.066 4.405 4.340 -0.002 0.000 0.229 3290 L C 0.868 177.756 176.870 0.030 0.000 1.158 3290 L CA 1.100 55.969 54.840 0.048 0.000 0.842 3290 L CB -1.383 40.718 42.059 0.069 0.000 0.952 3290 L HN 0.559 nan 8.230 nan 0.000 0.452 3291 N N -0.590 118.127 118.700 0.029 0.000 2.236 3291 N HA 0.148 4.887 4.740 -0.002 0.000 0.196 3291 N C 1.324 176.844 175.510 0.016 0.000 1.114 3291 N CA 0.792 53.854 53.050 0.020 0.000 0.859 3291 N CB 0.594 39.093 38.487 0.019 0.000 0.982 3291 N HN 0.253 nan 8.380 nan 0.000 0.493 3292 G N 0.711 109.522 108.800 0.018 0.000 2.143 3292 G HA2 -0.262 3.696 3.960 -0.002 0.000 0.249 3292 G HA3 -0.262 3.696 3.960 -0.002 0.000 0.249 3292 G C -0.245 174.664 174.900 0.015 0.000 0.981 3292 G CA -0.009 45.100 45.100 0.015 0.000 0.665 3292 G HN 0.421 nan 8.290 nan 0.000 0.528 3293 E N -0.541 119.668 120.200 0.016 0.000 2.231 3293 E HA 0.552 4.901 4.350 -0.002 0.000 0.277 3293 E C 0.050 176.658 176.600 0.014 0.000 0.999 3293 E CA -1.081 55.327 56.400 0.013 0.000 0.827 3293 E CB 1.901 31.608 29.700 0.012 0.000 1.101 3293 E HN 0.183 nan 8.360 nan 0.000 0.393 3294 L N 4.301 125.531 121.223 0.012 0.000 2.418 3294 L HA 0.071 4.409 4.340 -0.002 0.000 0.274 3294 L C 0.478 177.354 176.870 0.011 0.000 1.135 3294 L CA 0.661 55.508 54.840 0.013 0.000 0.870 3294 L CB 0.192 42.257 42.059 0.010 0.000 1.154 3294 L HN 0.672 nan 8.230 nan 0.000 0.462 3295 I N 1.453 122.031 120.570 0.014 0.000 4.187 3295 I HA 0.614 4.783 4.170 -0.002 0.000 0.326 3295 I C 0.608 176.732 176.117 0.012 0.000 1.302 3295 I CA 0.226 61.532 61.300 0.011 0.000 1.196 3295 I CB 0.360 38.368 38.000 0.013 0.000 1.095 3295 I HN 0.624 nan 8.210 nan 0.000 0.411 3296 G N 1.457 110.268 108.800 0.019 0.000 2.519 3296 G HA2 0.532 4.491 3.960 -0.002 0.000 0.292 3296 G HA3 0.532 4.491 3.960 -0.002 0.000 0.292 3296 G C -2.143 172.779 174.900 0.037 0.000 1.507 3296 G CA -0.467 44.648 45.100 0.026 0.000 0.806 3296 G HN -0.024 nan 8.290 nan 0.000 0.523 3297 I N 1.040 121.638 120.570 0.046 0.000 2.362 3297 I HA 0.304 4.473 4.170 -0.002 0.000 0.289 3297 I C 0.141 176.316 176.117 0.096 0.000 0.994 3297 I CA -1.036 60.298 61.300 0.057 0.000 1.158 3297 I CB 1.393 39.420 38.000 0.044 0.000 1.315 3297 I HN 0.448 nan 8.210 nan 0.000 0.451 3298 N N 3.340 122.099 118.700 0.099 0.000 2.492 3298 N HA 0.316 5.055 4.740 -0.002 0.000 0.262 3298 N C -0.010 175.600 175.510 0.166 0.000 1.202 3298 N CA 0.225 53.355 53.050 0.134 0.000 0.926 3298 N CB 0.657 39.206 38.487 0.103 0.000 1.078 3298 N HN 0.629 nan 8.380 nan 0.000 0.454 3299 T N -0.154 114.526 114.554 0.210 0.000 2.858 3299 T HA 0.764 5.113 4.350 -0.002 0.000 0.285 3299 T C -1.550 173.220 174.700 0.116 0.000 1.052 3299 T CA -0.798 61.433 62.100 0.218 0.000 1.009 3299 T CB 0.970 70.010 68.868 0.287 0.000 1.241 3299 T HN 0.426 nan 8.240 nan 0.000 0.542 3300 A N 2.145 124.978 122.820 0.023 0.000 2.285 3300 A HA 0.593 4.912 4.320 -0.002 0.000 0.310 3300 A C 0.652 178.121 177.584 -0.191 0.000 1.266 3300 A CA -0.786 51.150 52.037 -0.169 0.000 0.832 3300 A CB -0.240 18.486 19.000 -0.456 0.000 1.163 3300 A HN 0.891 nan 8.150 nan 0.000 0.499 3301 I N 0.324 120.720 120.570 -0.290 0.000 3.862 3301 I HA 0.382 4.550 4.170 -0.002 0.000 0.328 3301 I C -0.682 175.265 176.117 -0.284 0.000 1.474 3301 I CA 0.319 61.405 61.300 -0.356 0.000 1.215 3301 I CB -0.283 37.308 38.000 -0.683 0.000 1.183 3301 I HN 0.418 nan 8.210 nan 0.000 0.413 3302 L N 2.375 123.465 121.223 -0.222 0.000 2.861 3302 L HA 0.527 4.865 4.340 -0.002 0.000 0.290 3302 L C 0.741 177.523 176.870 -0.148 0.000 1.346 3302 L CA -0.472 54.263 54.840 -0.175 0.000 0.779 3302 L CB 0.882 42.843 42.059 -0.164 0.000 1.143 3302 L HN 0.407 nan 8.230 nan 0.000 0.548 3303 A N 0.852 123.595 122.820 -0.128 0.000 2.561 3303 A HA 0.381 4.700 4.320 -0.002 0.000 0.234 3303 A C -1.644 175.895 177.584 -0.075 0.000 1.055 3303 A CA -0.026 51.953 52.037 -0.097 0.000 0.756 3303 A CB -0.460 18.504 19.000 -0.061 0.000 0.986 3303 A HN 0.574 nan 8.150 nan 0.000 0.505 3304 P HA -0.101 nan 4.420 nan 0.000 0.014 3304 P C -0.240 177.018 177.300 -0.070 0.000 0.569 3304 P CA 1.437 64.501 63.100 -0.060 0.000 1.035 3304 P CB -0.411 31.261 31.700 -0.047 0.000 1.909 3305 D N -1.014 119.327 120.400 -0.098 0.000 3.084 3305 D HA 0.276 4.915 4.640 -0.002 0.000 0.294 3305 D C 0.861 177.079 176.300 -0.137 0.000 1.165 3305 D CA 1.640 55.582 54.000 -0.097 0.000 1.008 3305 D CB 0.757 41.505 40.800 -0.087 0.000 1.266 3305 D HN 0.298 nan 8.370 nan 0.000 0.449 3306 G N -0.015 108.637 108.800 -0.246 0.000 2.767 3306 G HA2 0.377 4.336 3.960 -0.002 0.000 0.686 3306 G HA3 0.377 4.336 3.960 -0.002 0.000 0.686 3306 G C 0.238 175.040 174.900 -0.164 0.000 1.213 3306 G CA -0.316 44.591 45.100 -0.321 0.000 0.803 3306 G HN 0.948 nan 8.290 nan 0.000 0.603 3307 G N 1.395 110.110 108.800 -0.140 0.000 2.592 3307 G HA2 0.457 4.416 3.960 -0.002 0.000 0.685 3307 G HA3 0.457 4.416 3.960 -0.002 0.000 0.685 3307 G C -0.416 174.430 174.900 -0.091 0.000 1.278 3307 G CA 0.259 45.307 45.100 -0.087 0.000 0.822 3307 G HN 2.111 nan 8.290 nan 0.000 0.652 3308 N N 0.616 119.283 118.700 -0.054 0.000 2.485 3308 N HA 0.482 5.221 4.740 -0.002 0.000 0.280 3308 N C 1.325 176.810 175.510 -0.042 0.000 1.205 3308 N CA -0.581 52.442 53.050 -0.046 0.000 0.959 3308 N CB 2.388 40.883 38.487 0.012 0.000 1.206 3308 N HN 0.738 nan 8.380 nan 0.000 0.545 3309 I N -1.836 118.705 120.570 -0.048 0.000 3.226 3309 I HA 0.115 4.284 4.170 -0.002 0.000 0.277 3309 I C 0.796 176.927 176.117 0.024 0.000 1.243 3309 I CA 0.995 62.273 61.300 -0.036 0.000 1.459 3309 I CB -0.207 37.741 38.000 -0.085 0.000 1.093 3309 I HN 0.890 nan 8.210 nan 0.000 0.453 3310 G N 1.315 110.149 108.800 0.056 0.000 3.110 3310 G HA2 -0.024 3.935 3.960 -0.002 0.000 0.205 3310 G HA3 -0.024 3.935 3.960 -0.002 0.000 0.205 3310 G C -0.029 174.917 174.900 0.077 0.000 1.019 3310 G CA 0.053 45.188 45.100 0.059 0.000 0.826 3310 G HN 0.305 nan 8.290 nan 0.000 0.481 3311 I N 0.645 121.292 120.570 0.128 0.000 3.264 3311 I HA 0.722 4.891 4.170 -0.002 0.000 0.315 3311 I C -0.005 176.224 176.117 0.187 0.000 1.154 3311 I CA -0.880 60.486 61.300 0.109 0.000 0.962 3311 I CB 2.130 40.163 38.000 0.054 0.000 1.265 3311 I HN 0.161 nan 8.210 nan 0.000 0.463 3312 G N 2.276 111.128 108.800 0.087 0.000 2.356 3312 G HA2 0.591 4.550 3.960 -0.002 0.000 0.322 3312 G HA3 0.591 4.550 3.960 -0.002 0.000 0.322 3312 G C -1.636 173.283 174.900 0.032 0.000 1.125 3312 G CA -0.202 44.984 45.100 0.142 0.000 0.885 3312 G HN 0.256 nan 8.290 nan 0.000 0.467 3313 F N 1.274 121.223 119.950 -0.002 0.000 2.402 3313 F HA 0.656 5.183 4.527 -0.001 0.000 0.355 3313 F C 0.560 176.459 175.800 0.164 0.000 1.123 3313 F CA -0.905 57.113 58.000 0.030 0.000 1.021 3313 F CB 2.129 41.030 39.000 -0.165 0.000 1.160 3313 F HN 0.623 nan 8.300 nan 0.000 0.451 3314 A N 4.160 127.169 122.820 0.315 0.000 2.374 3314 A HA 0.808 5.127 4.320 -0.002 0.000 0.317 3314 A C -0.684 177.050 177.584 0.250 0.000 1.094 3314 A CA -0.731 51.466 52.037 0.265 0.000 0.765 3314 A CB 0.992 20.071 19.000 0.132 0.000 1.268 3314 A HN 0.543 nan 8.150 nan 0.000 0.438 3315 I N 2.762 123.415 120.570 0.138 0.000 2.529 3315 I HA 0.239 4.408 4.170 -0.002 0.000 0.284 3315 I C -2.008 174.096 176.117 -0.022 0.000 1.082 3315 I CA -1.837 59.438 61.300 -0.042 0.000 1.406 3315 I CB 0.673 38.635 38.000 -0.063 0.000 1.405 3315 I HN 0.406 nan 8.210 nan 0.000 0.548 3316 P HA 0.068 nan 4.420 nan 0.000 0.271 3316 P C 0.817 178.100 177.300 -0.028 0.000 1.218 3316 P CA -0.183 62.899 63.100 -0.031 0.000 0.780 3316 P CB 0.692 32.368 31.700 -0.040 0.000 0.901 3317 S N 2.441 118.132 115.700 -0.014 0.000 2.380 3317 S HA -0.287 4.182 4.470 -0.002 0.000 0.229 3317 S C 1.487 176.075 174.600 -0.020 0.000 1.043 3317 S CA 1.816 60.008 58.200 -0.012 0.000 1.038 3317 S CB -1.537 61.660 63.200 -0.005 0.000 0.872 3317 S HN 0.512 nan 8.310 nan 0.000 0.456 3318 N N 0.645 119.331 118.700 -0.023 0.000 2.166 3318 N HA -0.072 4.667 4.740 -0.002 0.000 0.186 3318 N C 1.795 177.285 175.510 -0.033 0.000 1.019 3318 N CA 1.515 54.550 53.050 -0.025 0.000 0.856 3318 N CB -0.246 38.227 38.487 -0.023 0.000 0.993 3318 N HN 0.401 nan 8.380 nan 0.000 0.426 3319 M N 0.907 120.480 119.600 -0.045 0.000 2.200 3319 M HA -0.028 4.451 4.480 -0.002 0.000 0.265 3319 M C 1.667 177.938 176.300 -0.050 0.000 1.066 3319 M CA 1.185 56.451 55.300 -0.057 0.000 1.127 3319 M CB -0.085 32.461 32.600 -0.089 0.000 1.379 3319 M HN -0.125 nan 8.290 nan 0.000 0.420 3320 V N 0.550 120.438 119.914 -0.043 0.000 2.343 3320 V HA -0.296 3.823 4.120 -0.002 0.000 0.247 3320 V C 2.439 178.511 176.094 -0.036 0.000 1.051 3320 V CA 2.234 64.513 62.300 -0.035 0.000 1.036 3320 V CB -1.213 30.596 31.823 -0.023 0.000 0.654 3320 V HN 0.578 nan 8.190 nan 0.000 0.451 3321 K N 0.777 121.158 120.400 -0.032 0.000 2.032 3321 K HA -0.292 4.027 4.320 -0.002 0.000 0.209 3321 K C 2.077 178.654 176.600 -0.037 0.000 1.048 3321 K CA 2.332 58.599 56.287 -0.032 0.000 0.927 3321 K CB -0.314 32.171 32.500 -0.024 0.000 0.712 3321 K HN 0.515 nan 8.250 nan 0.000 0.441 3322 N N 0.301 118.982 118.700 -0.032 0.000 2.084 3322 N HA -0.149 4.590 4.740 -0.002 0.000 0.190 3322 N C 1.883 177.379 175.510 -0.023 0.000 1.030 3322 N CA 1.398 54.434 53.050 -0.025 0.000 0.849 3322 N CB -0.088 38.386 38.487 -0.021 0.000 1.012 3322 N HN 0.172 nan 8.380 nan 0.000 0.423 3323 L N -0.807 120.398 121.223 -0.030 0.000 2.141 3323 L HA -0.095 4.244 4.340 -0.002 0.000 0.209 3323 L C 2.429 179.276 176.870 -0.039 0.000 1.094 3323 L CA 1.095 55.919 54.840 -0.026 0.000 0.763 3323 L CB -0.691 41.349 42.059 -0.033 0.000 0.908 3323 L HN 0.277 nan 8.230 nan 0.000 0.437 3324 T N -1.175 113.344 114.554 -0.059 0.000 2.777 3324 T HA -0.143 4.206 4.350 -0.002 0.000 0.266 3324 T C 2.114 176.736 174.700 -0.131 0.000 1.040 3324 T CA 1.689 63.731 62.100 -0.096 0.000 1.141 3324 T CB 0.019 68.831 68.868 -0.093 0.000 0.868 3324 T HN 0.302 nan 8.240 nan 0.000 0.444 3325 S N 1.224 116.860 115.700 -0.107 0.000 2.382 3325 S HA -0.120 4.349 4.470 -0.002 0.000 0.228 3325 S C 2.111 176.625 174.600 -0.145 0.000 1.027 3325 S CA 1.035 59.156 58.200 -0.131 0.000 0.991 3325 S CB -0.319 62.824 63.200 -0.095 0.000 0.823 3325 S HN 0.572 nan 8.310 nan 0.000 0.469 3326 Q N 0.665 120.430 119.800 -0.059 0.000 2.061 3326 Q HA -0.086 4.253 4.340 -0.002 0.000 0.204 3326 Q C 2.301 178.303 176.000 0.005 0.000 0.984 3326 Q CA 1.440 57.266 55.803 0.038 0.000 0.846 3326 Q CB -0.357 28.472 28.738 0.152 0.000 0.902 3326 Q HN 0.593 nan 8.270 nan 0.000 0.421 3327 M N -0.273 119.304 119.600 -0.038 0.000 2.108 3327 M HA -0.180 4.299 4.480 -0.002 0.000 0.261 3327 M C 2.249 178.487 176.300 -0.103 0.000 1.066 3327 M CA 1.172 56.441 55.300 -0.051 0.000 1.107 3327 M CB -0.597 31.954 32.600 -0.081 0.000 1.356 3327 M HN 0.060 nan 8.290 nan 0.000 0.406 3328 V N 1.141 120.941 119.914 -0.189 0.000 2.216 3328 V HA -0.249 3.870 4.120 -0.002 0.000 0.243 3328 V C 1.756 177.746 176.094 -0.173 0.000 1.044 3328 V CA 2.116 64.289 62.300 -0.213 0.000 0.995 3328 V CB -0.721 30.938 31.823 -0.275 0.000 0.633 3328 V HN 0.507 nan 8.190 nan 0.000 0.446 3329 E N -1.867 118.159 120.200 -0.289 0.000 2.485 3329 E HA -0.031 4.318 4.350 -0.002 0.000 0.194 3329 E C 0.707 176.949 176.600 -0.597 0.000 1.098 3329 E CA 0.629 56.760 56.400 -0.448 0.000 0.878 3329 E CB -0.017 29.310 29.700 -0.622 0.000 0.939 3329 E HN 0.833 nan 8.360 nan 0.000 0.503 3330 Y N -2.521 117.765 120.300 -0.024 0.000 2.463 3330 Y HA 0.229 4.778 4.550 -0.002 0.000 0.288 3330 Y C 1.651 177.540 175.900 -0.018 0.000 1.041 3330 Y CA -0.289 57.800 58.100 -0.019 0.000 1.054 3330 Y CB 1.459 39.907 38.460 -0.022 0.000 1.380 3330 Y HN 0.130 nan 8.280 nan 0.000 0.581 3331 G N 0.999 109.862 108.800 0.106 0.000 2.284 3331 G HA2 -0.190 3.769 3.960 -0.002 0.000 0.216 3331 G HA3 -0.190 3.769 3.960 -0.002 0.000 0.216 3331 G C 0.029 174.958 174.900 0.049 0.000 1.009 3331 G CA 0.240 45.375 45.100 0.059 0.000 0.625 3331 G HN 0.421 nan 8.290 nan 0.000 0.501 3332 Q N -0.859 118.991 119.800 0.084 0.000 2.738 3332 Q HA 0.622 4.961 4.340 -0.002 0.000 0.301 3332 Q C -0.544 175.505 176.000 0.081 0.000 0.901 3332 Q CA -0.558 55.277 55.803 0.053 0.000 0.756 3332 Q CB 1.779 30.533 28.738 0.026 0.000 1.463 3332 Q HN 1.180 nan 8.270 nan 0.000 0.432 3333 V N -0.547 119.392 119.914 0.041 0.000 2.498 3333 V HA 0.465 4.584 4.120 -0.002 0.000 0.279 3333 V C -0.179 175.913 176.094 -0.003 0.000 1.048 3333 V CA -0.795 61.528 62.300 0.038 0.000 0.967 3333 V CB 0.828 32.660 31.823 0.015 0.000 0.988 3333 V HN 0.674 nan 8.190 nan 0.000 0.473 3334 K N 4.819 125.202 120.400 -0.027 0.000 2.081 3334 K HA 0.190 4.509 4.320 -0.002 0.000 0.230 3334 K C 0.374 176.939 176.600 -0.057 0.000 1.199 3334 K CA 0.335 56.571 56.287 -0.087 0.000 1.130 3334 K CB -0.445 31.960 32.500 -0.158 0.000 1.386 3334 K HN 0.915 nan 8.250 nan 0.000 0.280 3335 R N 0.297 120.771 120.500 -0.044 0.000 2.409 3335 R HA 0.552 4.891 4.340 -0.002 0.000 0.313 3335 R C -0.045 176.232 176.300 -0.039 0.000 0.953 3335 R CA -0.897 55.180 56.100 -0.038 0.000 0.849 3335 R CB 1.247 31.529 30.300 -0.029 0.000 1.171 3335 R HN 0.301 nan 8.270 nan 0.000 0.458 3336 G N 2.606 111.381 108.800 -0.041 0.000 2.415 3336 G HA2 0.259 4.218 3.960 -0.002 0.000 0.269 3336 G HA3 0.259 4.218 3.960 -0.002 0.000 0.269 3336 G C -0.571 174.308 174.900 -0.034 0.000 1.209 3336 G CA -0.664 44.413 45.100 -0.038 0.000 0.835 3336 G HN 0.792 nan 8.290 nan 0.000 0.534 3337 E N 1.225 121.409 120.200 -0.028 0.000 2.207 3337 E HA 0.373 4.722 4.350 -0.002 0.000 0.270 3337 E C -0.076 176.512 176.600 -0.021 0.000 0.927 3337 E CA -0.998 55.388 56.400 -0.024 0.000 0.799 3337 E CB 1.845 31.537 29.700 -0.014 0.000 1.172 3337 E HN 0.259 nan 8.360 nan 0.000 0.404 3338 L N 2.606 123.816 121.223 -0.021 0.000 2.591 3338 L HA 0.257 4.596 4.340 -0.002 0.000 0.228 3338 L C 1.366 178.236 176.870 0.000 0.000 1.133 3338 L CA 1.504 56.336 54.840 -0.014 0.000 0.880 3338 L CB -0.525 41.523 42.059 -0.019 0.000 1.033 3338 L HN 1.065 nan 8.230 nan 0.000 0.450 3339 G N 0.408 109.211 108.800 0.005 0.000 2.212 3339 G HA2 -0.348 3.611 3.960 -0.002 0.000 0.267 3339 G HA3 -0.348 3.611 3.960 -0.002 0.000 0.267 3339 G C 0.459 175.374 174.900 0.024 0.000 1.002 3339 G CA 0.928 46.035 45.100 0.012 0.000 0.729 3339 G HN 0.604 nan 8.290 nan 0.000 0.517 3340 I N -2.461 118.137 120.570 0.048 0.000 2.934 3340 I HA 0.888 5.057 4.170 -0.002 0.000 0.315 3340 I C 0.292 176.476 176.117 0.112 0.000 0.997 3340 I CA -1.433 59.905 61.300 0.062 0.000 1.184 3340 I CB 1.125 39.181 38.000 0.094 0.000 1.400 3340 I HN 0.024 nan 8.210 nan 0.000 0.549 3341 M N 2.621 122.259 119.600 0.062 0.000 2.433 3341 M HA 0.736 5.215 4.480 -0.002 0.000 0.290 3341 M C -0.280 175.925 176.300 -0.159 0.000 1.173 3341 M CA -0.396 54.924 55.300 0.033 0.000 0.905 3341 M CB 2.084 34.673 32.600 -0.018 0.000 1.692 3341 M HN 1.105 nan 8.290 nan 0.000 0.462 3342 G N 1.025 109.538 108.800 -0.478 0.000 2.335 3342 G HA2 0.649 4.608 3.960 -0.002 0.000 0.291 3342 G HA3 0.649 4.608 3.960 -0.002 0.000 0.291 3342 G C -1.081 173.093 174.900 -1.210 0.000 1.261 3342 G CA 0.211 44.910 45.100 -0.668 0.000 0.871 3342 G HN 0.827 nan 8.290 nan 0.000 0.491 3343 T N -3.083 111.010 114.554 -0.769 0.000 2.611 3343 T HA 0.681 5.030 4.350 -0.002 0.000 0.269 3343 T C -0.810 173.841 174.700 -0.081 0.000 1.032 3343 T CA -0.542 61.222 62.100 -0.560 0.000 1.178 3343 T CB 1.361 70.066 68.868 -0.271 0.000 1.651 3343 T HN 0.533 nan 8.240 nan 0.000 0.456 3344 E N 0.346 120.562 120.200 0.026 0.000 2.405 3344 E HA 0.407 4.756 4.350 -0.002 0.000 0.253 3344 E C 0.602 177.256 176.600 0.090 0.000 1.257 3344 E CA -0.516 55.939 56.400 0.091 0.000 0.960 3344 E CB 0.349 30.087 29.700 0.063 0.000 1.077 3344 E HN 0.552 nan 8.360 nan 0.000 0.512 3345 L N 1.577 122.818 121.223 0.031 0.000 2.653 3345 L HA 0.104 4.443 4.340 -0.002 0.000 0.232 3345 L C 1.141 177.967 176.870 -0.073 0.000 1.169 3345 L CA 0.039 54.839 54.840 -0.067 0.000 0.951 3345 L CB -0.177 41.837 42.059 -0.075 0.000 1.181 3345 L HN 0.184 nan 8.230 nan 0.000 0.460 3346 N N -0.819 117.864 118.700 -0.027 0.000 2.407 3346 N HA 0.013 4.752 4.740 -0.002 0.000 0.182 3346 N C 0.856 176.354 175.510 -0.019 0.000 1.079 3346 N CA 0.268 53.302 53.050 -0.027 0.000 0.882 3346 N CB 0.310 38.790 38.487 -0.011 0.000 1.106 3346 N HN 0.256 nan 8.380 nan 0.000 0.461 3347 S N 1.430 117.134 115.700 0.007 0.000 2.542 3347 S HA -0.073 4.396 4.470 -0.002 0.000 0.287 3347 S C 1.156 175.766 174.600 0.017 0.000 1.315 3347 S CA 0.052 58.267 58.200 0.025 0.000 1.037 3347 S CB 0.648 63.895 63.200 0.078 0.000 0.822 3347 S HN 0.222 nan 8.310 nan 0.000 0.513 3348 E N 0.998 121.207 120.200 0.015 0.000 2.209 3348 E HA -0.136 4.213 4.350 -0.002 0.000 0.196 3348 E C 1.624 178.241 176.600 0.028 0.000 0.993 3348 E CA 1.242 57.647 56.400 0.008 0.000 0.819 3348 E CB -0.427 29.274 29.700 0.002 0.000 0.745 3348 E HN 0.637 nan 8.360 nan 0.000 0.477 3349 L N 0.146 121.420 121.223 0.084 0.000 2.313 3349 L HA 0.003 4.342 4.340 -0.002 0.000 0.214 3349 L C 2.373 179.347 176.870 0.173 0.000 1.119 3349 L CA 0.423 55.362 54.840 0.166 0.000 0.809 3349 L CB -0.219 41.983 42.059 0.238 0.000 0.933 3349 L HN 0.131 nan 8.230 nan 0.000 0.449 3350 A N -0.073 122.743 122.820 -0.007 0.000 2.067 3350 A HA -0.086 4.233 4.320 -0.002 0.000 0.217 3350 A C 2.260 179.694 177.584 -0.250 0.000 1.156 3350 A CA 0.918 52.686 52.037 -0.448 0.000 0.683 3350 A CB -0.008 18.703 19.000 -0.481 0.000 0.808 3350 A HN 0.278 nan 8.150 nan 0.000 0.455 3351 K N -0.564 119.768 120.400 -0.113 0.000 2.121 3351 K HA 0.216 4.535 4.320 -0.002 0.000 0.203 3351 K C 2.112 178.683 176.600 -0.049 0.000 1.041 3351 K CA 0.751 56.990 56.287 -0.079 0.000 0.969 3351 K CB -0.187 32.282 32.500 -0.052 0.000 0.799 3351 K HN 0.298 nan 8.250 nan 0.000 0.456 3352 A N 0.951 123.758 122.820 -0.021 0.000 2.234 3352 A HA -0.083 4.236 4.320 -0.002 0.000 0.216 3352 A C 1.692 179.278 177.584 0.003 0.000 1.167 3352 A CA 1.343 53.377 52.037 -0.004 0.000 0.698 3352 A CB -0.422 18.585 19.000 0.011 0.000 0.779 3352 A HN 0.240 nan 8.150 nan 0.000 0.475 3353 M N -1.056 118.541 119.600 -0.006 0.000 2.300 3353 M HA 0.135 4.614 4.480 -0.002 0.000 0.313 3353 M C -0.757 175.519 176.300 -0.040 0.000 0.988 3353 M CA -0.192 55.112 55.300 0.006 0.000 1.012 3353 M CB 0.534 33.182 32.600 0.080 0.000 1.586 3353 M HN 0.193 nan 8.290 nan 0.000 0.562 3354 K N 2.118 122.475 120.400 -0.072 0.000 5.307 3354 K HA -0.120 4.199 4.320 -0.002 0.000 0.461 3354 K C -0.504 176.029 176.600 -0.111 0.000 1.070 3354 K CA 0.231 56.466 56.287 -0.086 0.000 1.173 3354 K CB -1.604 30.866 32.500 -0.051 0.000 1.918 3354 K HN 0.330 nan 8.250 nan 0.000 0.321 3355 V N -0.351 119.456 119.914 -0.178 0.000 2.407 3355 V HA 0.301 4.420 4.120 -0.002 0.000 0.278 3355 V C 0.468 176.490 176.094 -0.121 0.000 1.037 3355 V CA -0.944 61.241 62.300 -0.191 0.000 0.900 3355 V CB 1.559 33.157 31.823 -0.373 0.000 0.983 3355 V HN 0.410 nan 8.190 nan 0.000 0.459 3356 D N 3.701 124.055 120.400 -0.075 0.000 2.341 3356 D HA 0.470 5.109 4.640 -0.002 0.000 0.245 3356 D C 0.827 177.100 176.300 -0.045 0.000 1.106 3356 D CA 1.057 55.027 54.000 -0.049 0.000 0.905 3356 D CB 1.515 42.298 40.800 -0.029 0.000 1.202 3356 D HN 1.505 nan 8.370 nan 0.000 0.426 3357 A N 2.544 125.342 122.820 -0.035 0.000 1.786 3357 A HA -0.251 4.068 4.320 -0.002 0.000 0.237 3357 A C -0.103 177.461 177.584 -0.033 0.000 1.309 3357 A CA 0.532 52.554 52.037 -0.026 0.000 0.713 3357 A CB -1.535 17.457 19.000 -0.014 0.000 1.194 3357 A HN 0.537 nan 8.150 nan 0.000 0.252 3358 Q N 0.695 120.471 119.800 -0.040 0.000 2.398 3358 Q HA 0.571 4.910 4.340 -0.002 0.000 0.251 3358 Q C 0.199 176.187 176.000 -0.020 0.000 0.999 3358 Q CA -0.249 55.527 55.803 -0.045 0.000 0.874 3358 Q CB 0.841 29.538 28.738 -0.069 0.000 1.215 3358 Q HN 0.819 nan 8.270 nan 0.000 0.470 3359 R N 0.405 120.903 120.500 -0.004 0.000 2.812 3359 R HA 0.497 4.836 4.340 -0.002 0.000 0.179 3359 R C -0.569 175.748 176.300 0.028 0.000 1.407 3359 R CA -0.351 55.756 56.100 0.011 0.000 1.031 3359 R CB -0.244 30.061 30.300 0.007 0.000 1.491 3359 R HN 0.643 nan 8.270 nan 0.000 0.619 3360 G N -0.109 108.719 108.800 0.047 0.000 2.348 3360 G HA2 0.603 4.562 3.960 -0.002 0.000 0.296 3360 G HA3 0.603 4.562 3.960 -0.002 0.000 0.296 3360 G C -1.599 173.376 174.900 0.124 0.000 1.258 3360 G CA -0.356 44.788 45.100 0.074 0.000 0.868 3360 G HN 0.544 nan 8.290 nan 0.000 0.488 3361 A N -0.174 122.745 122.820 0.165 0.000 2.260 3361 A HA 0.681 5.000 4.320 -0.002 0.000 0.308 3361 A C -0.695 177.065 177.584 0.293 0.000 1.254 3361 A CA -0.496 51.701 52.037 0.266 0.000 0.874 3361 A CB 0.236 19.426 19.000 0.317 0.000 1.153 3361 A HN 1.118 nan 8.150 nan 0.000 0.527 3362 F N 3.833 123.821 119.950 0.063 0.000 2.445 3362 F HA 0.402 4.928 4.527 -0.002 0.000 0.359 3362 F C -0.094 175.696 175.800 -0.016 0.000 1.101 3362 F CA -0.696 57.306 58.000 0.004 0.000 1.177 3362 F CB 0.896 39.872 39.000 -0.040 0.000 1.110 3362 F HN 0.305 nan 8.300 nan 0.000 0.522 3363 V N 6.841 126.658 119.914 -0.162 0.000 2.356 3363 V HA -0.020 4.099 4.120 -0.002 0.000 0.258 3363 V C 0.779 176.450 176.094 -0.704 0.000 1.065 3363 V CA 0.220 62.336 62.300 -0.306 0.000 0.935 3363 V CB 0.641 32.411 31.823 -0.088 0.000 1.061 3363 V HN 0.951 nan 8.190 nan 0.000 0.484 3364 S N 4.138 119.421 115.700 -0.695 0.000 2.436 3364 S HA 0.025 4.494 4.470 -0.002 0.000 0.228 3364 S C 0.603 175.008 174.600 -0.326 0.000 1.014 3364 S CA 0.917 58.742 58.200 -0.624 0.000 0.950 3364 S CB 0.058 62.979 63.200 -0.464 0.000 0.784 3364 S HN 0.947 nan 8.310 nan 0.000 0.504 3365 Q N -0.775 118.886 119.800 -0.231 0.000 2.617 3365 Q HA 0.519 4.858 4.340 -0.002 0.000 0.270 3365 Q C -1.610 174.339 176.000 -0.084 0.000 0.967 3365 Q CA -0.833 54.890 55.803 -0.133 0.000 0.887 3365 Q CB 1.449 30.122 28.738 -0.108 0.000 1.516 3365 Q HN -0.015 nan 8.270 nan 0.000 0.395 3366 V N 3.418 123.298 119.914 -0.056 0.000 2.370 3366 V HA 0.435 4.554 4.120 -0.002 0.000 0.279 3366 V C -0.352 175.728 176.094 -0.024 0.000 1.029 3366 V CA -0.705 61.577 62.300 -0.030 0.000 0.870 3366 V CB 1.050 32.860 31.823 -0.022 0.000 0.984 3366 V HN 0.813 nan 8.190 nan 0.000 0.451 3367 L N 9.041 130.255 121.223 -0.014 0.000 2.485 3367 L HA 0.259 4.598 4.340 -0.002 0.000 0.275 3367 L C -1.923 174.939 176.870 -0.012 0.000 1.207 3367 L CA -1.227 53.605 54.840 -0.012 0.000 0.855 3367 L CB 0.858 42.914 42.059 -0.004 0.000 1.114 3367 L HN 0.535 nan 8.230 nan 0.000 0.485 3368 P HA -0.001 nan 4.420 nan 0.000 0.269 3368 P C -0.245 177.049 177.300 -0.011 0.000 1.215 3368 P CA 0.040 63.132 63.100 -0.012 0.000 0.780 3368 P CB 0.235 31.927 31.700 -0.013 0.000 0.898 3369 N N -2.030 116.663 118.700 -0.010 0.000 2.666 3369 N HA -0.194 4.545 4.740 -0.002 0.000 0.248 3369 N C -0.094 175.410 175.510 -0.010 0.000 1.118 3369 N CA 0.428 53.472 53.050 -0.010 0.000 0.722 3369 N CB -0.961 37.519 38.487 -0.011 0.000 1.050 3369 N HN 0.550 nan 8.380 nan 0.000 0.550 3370 S N -2.109 113.586 115.700 -0.009 0.000 2.730 3370 S HA 0.449 4.918 4.470 -0.002 0.000 0.284 3370 S C 1.141 175.736 174.600 -0.009 0.000 1.153 3370 S CA -0.214 57.980 58.200 -0.009 0.000 0.995 3370 S CB 1.999 65.195 63.200 -0.007 0.000 1.058 3370 S HN 0.081 nan 8.310 nan 0.000 0.552 3371 S N -0.121 115.573 115.700 -0.009 0.000 2.425 3371 S HA 0.082 4.551 4.470 -0.002 0.000 0.225 3371 S C 1.973 176.569 174.600 -0.007 0.000 1.024 3371 S CA 0.777 58.971 58.200 -0.009 0.000 0.951 3371 S CB -1.109 62.084 63.200 -0.012 0.000 0.796 3371 S HN 0.891 nan 8.310 nan 0.000 0.498 3372 A N 1.435 124.253 122.820 -0.005 0.000 1.898 3372 A HA 0.233 4.552 4.320 -0.002 0.000 0.216 3372 A C 2.399 179.981 177.584 -0.003 0.000 1.181 3372 A CA 1.751 53.788 52.037 -0.002 0.000 0.620 3372 A CB -1.306 17.695 19.000 0.003 0.000 0.819 3372 A HN 0.674 nan 8.150 nan 0.000 0.442 3373 A N -0.197 122.620 122.820 -0.005 0.000 1.841 3373 A HA -0.130 4.189 4.320 -0.002 0.000 0.214 3373 A C 2.189 179.769 177.584 -0.006 0.000 1.195 3373 A CA 2.000 54.033 52.037 -0.007 0.000 0.611 3373 A CB -0.536 18.458 19.000 -0.009 0.000 0.835 3373 A HN 0.343 nan 8.150 nan 0.000 0.443 3374 K N 0.249 120.645 120.400 -0.007 0.000 1.987 3374 K HA -0.180 4.139 4.320 -0.002 0.000 0.216 3374 K C 2.165 178.762 176.600 -0.006 0.000 1.051 3374 K CA 2.082 58.365 56.287 -0.007 0.000 0.942 3374 K CB -0.909 31.586 32.500 -0.008 0.000 0.722 3374 K HN 0.363 nan 8.250 nan 0.000 0.444 3375 A N -0.076 122.741 122.820 -0.005 0.000 1.972 3375 A HA 0.081 4.400 4.320 -0.002 0.000 0.219 3375 A C 0.867 178.450 177.584 -0.002 0.000 1.169 3375 A CA 1.732 53.767 52.037 -0.004 0.000 0.635 3375 A CB -0.522 18.475 19.000 -0.004 0.000 0.810 3375 A HN 0.631 nan 8.150 nan 0.000 0.446 3376 G N -1.744 107.055 108.800 -0.002 0.000 3.088 3376 G HA2 0.367 4.326 3.960 -0.002 0.000 0.620 3376 G HA3 0.367 4.326 3.960 -0.002 0.000 0.620 3376 G C -0.949 173.952 174.900 0.002 0.000 1.375 3376 G CA -0.267 44.833 45.100 0.000 0.000 1.016 3376 G HN 0.848 nan 8.290 nan 0.000 0.590 3377 I N 0.464 121.035 120.570 0.002 0.000 2.397 3377 I HA 0.277 4.446 4.170 -0.002 0.000 0.311 3377 I C -1.097 175.020 176.117 0.000 0.000 2.151 3377 I CA -0.944 60.359 61.300 0.005 0.000 0.931 3377 I CB 2.178 40.182 38.000 0.006 0.000 1.653 3377 I HN 0.640 nan 8.210 nan 0.000 0.634 3378 K N 3.112 123.513 120.400 0.002 0.000 2.523 3378 K HA 0.730 5.048 4.320 -0.002 0.000 0.257 3378 K C -0.642 175.951 176.600 -0.011 0.000 0.932 3378 K CA -0.710 55.574 56.287 -0.006 0.000 0.812 3378 K CB 2.372 34.872 32.500 -0.000 0.000 1.326 3378 K HN 0.662 nan 8.250 nan 0.000 0.433 3379 A N 0.932 123.728 122.820 -0.040 0.000 2.609 3379 A HA 0.321 4.640 4.320 -0.002 0.000 0.232 3379 A C 1.225 178.801 177.584 -0.013 0.000 1.041 3379 A CA 1.801 53.787 52.037 -0.085 0.000 0.753 3379 A CB -0.672 18.257 19.000 -0.118 0.000 0.966 3379 A HN 1.034 nan 8.150 nan 0.000 0.510 3380 G N 1.510 110.319 108.800 0.016 0.000 2.604 3380 G HA2 -0.191 3.768 3.960 -0.002 0.000 0.205 3380 G HA3 -0.191 3.768 3.960 -0.002 0.000 0.205 3380 G C -0.009 175.071 174.900 0.300 0.000 1.186 3380 G CA 0.183 45.460 45.100 0.295 0.000 0.753 3380 G HN 0.933 nan 8.290 nan 0.000 0.526 3381 D N 1.311 121.800 120.400 0.148 0.000 2.548 3381 D HA 0.334 4.973 4.640 -0.002 0.000 0.231 3381 D C 0.398 176.800 176.300 0.171 0.000 1.142 3381 D CA 0.711 54.785 54.000 0.122 0.000 0.866 3381 D CB 1.697 42.541 40.800 0.072 0.000 1.190 3381 D HN 0.361 nan 8.370 nan 0.000 0.469 3382 V N 3.599 123.600 119.914 0.146 0.000 2.334 3382 V HA 0.154 4.272 4.120 -0.002 0.000 0.281 3382 V C 0.489 176.645 176.094 0.104 0.000 1.016 3382 V CA -0.919 61.476 62.300 0.159 0.000 0.832 3382 V CB 1.019 32.913 31.823 0.119 0.000 0.999 3382 V HN 0.299 nan 8.190 nan 0.000 0.439 3383 I N 4.386 125.020 120.570 0.107 0.000 2.710 3383 I HA 0.072 4.240 4.170 -0.002 0.000 0.286 3383 I C 1.464 177.618 176.117 0.061 0.000 1.181 3383 I CA 1.117 62.461 61.300 0.073 0.000 1.430 3383 I CB 0.867 38.907 38.000 0.067 0.000 1.367 3383 I HN 0.689 nan 8.210 nan 0.000 0.577 3384 T N 2.323 116.902 114.554 0.042 0.000 2.969 3384 T HA 0.190 4.539 4.350 -0.002 0.000 0.250 3384 T C 0.294 175.007 174.700 0.023 0.000 1.021 3384 T CA 0.360 62.479 62.100 0.032 0.000 1.003 3384 T CB 0.109 68.992 68.868 0.025 0.000 1.040 3384 T HN 0.731 nan 8.240 nan 0.000 0.492 3385 S N 0.394 116.105 115.700 0.019 0.000 2.625 3385 S HA 0.729 5.198 4.470 -0.002 0.000 0.271 3385 S C -1.806 172.798 174.600 0.006 0.000 1.161 3385 S CA -0.978 57.228 58.200 0.010 0.000 0.820 3385 S CB 1.846 65.050 63.200 0.008 0.000 1.137 3385 S HN 0.166 nan 8.310 nan 0.000 0.470 3386 L N 1.735 122.958 121.223 -0.001 0.000 2.504 3386 L HA 0.479 4.818 4.340 -0.002 0.000 0.265 3386 L C -1.131 175.735 176.870 -0.007 0.000 0.975 3386 L CA -0.332 54.504 54.840 -0.006 0.000 0.864 3386 L CB 0.868 42.918 42.059 -0.015 0.000 1.212 3386 L HN 0.949 nan 8.230 nan 0.000 0.416 3387 N N 3.669 122.365 118.700 -0.006 0.000 2.746 3387 N HA -0.186 4.553 4.740 -0.002 0.000 0.250 3387 N C 0.877 176.385 175.510 -0.004 0.000 1.055 3387 N CA 1.382 54.428 53.050 -0.006 0.000 0.699 3387 N CB -1.030 37.452 38.487 -0.009 0.000 0.919 3387 N HN 1.128 nan 8.380 nan 0.000 0.548 3388 G N -1.702 107.097 108.800 -0.002 0.000 2.458 3388 G HA2 -0.406 3.553 3.960 -0.002 0.000 0.237 3388 G HA3 -0.406 3.553 3.960 -0.002 0.000 0.237 3388 G C 0.186 175.086 174.900 0.000 0.000 1.113 3388 G CA 0.893 45.992 45.100 -0.001 0.000 0.655 3388 G HN 0.529 nan 8.290 nan 0.000 0.513 3389 K N 2.257 122.656 120.400 -0.001 0.000 2.298 3389 K HA 0.509 4.827 4.320 -0.002 0.000 0.280 3389 K C -2.374 174.227 176.600 0.002 0.000 1.032 3389 K CA -1.552 54.734 56.287 -0.001 0.000 0.958 3389 K CB 0.722 33.220 32.500 -0.003 0.000 0.978 3389 K HN 0.151 nan 8.250 nan 0.000 0.472 3390 P HA -0.002 nan 4.420 nan 0.000 0.265 3390 P C -0.693 176.612 177.300 0.009 0.000 1.193 3390 P CA 0.194 63.298 63.100 0.007 0.000 0.765 3390 P CB 0.438 32.142 31.700 0.008 0.000 0.823 3391 I N 2.750 123.329 120.570 0.015 0.000 2.437 3391 I HA 0.082 4.251 4.170 -0.002 0.000 0.279 3391 I C 0.989 177.125 176.117 0.031 0.000 1.028 3391 I CA -0.087 61.224 61.300 0.018 0.000 1.142 3391 I CB 0.874 38.886 38.000 0.020 0.000 1.266 3391 I HN 0.317 nan 8.210 nan 0.000 0.461 3392 S N 2.842 118.560 115.700 0.030 0.000 2.548 3392 S HA 0.180 4.649 4.470 -0.002 0.000 0.215 3392 S C 0.569 175.202 174.600 0.054 0.000 0.976 3392 S CA -0.254 57.968 58.200 0.036 0.000 0.908 3392 S CB 0.023 63.238 63.200 0.026 0.000 0.781 3392 S HN 0.654 nan 8.310 nan 0.000 0.519 3393 S N -0.442 115.298 115.700 0.067 0.000 2.543 3393 S HA 0.541 5.010 4.470 -0.002 0.000 0.274 3393 S C -0.044 174.641 174.600 0.141 0.000 1.149 3393 S CA -0.832 57.432 58.200 0.106 0.000 0.866 3393 S CB 0.292 63.544 63.200 0.086 0.000 1.111 3393 S HN -0.025 nan 8.310 nan 0.000 0.457 3394 F N 2.622 122.595 119.950 0.037 0.000 2.087 3394 F HA -0.130 4.396 4.527 -0.001 0.000 0.299 3394 F C 2.567 178.382 175.800 0.025 0.000 1.100 3394 F CA 2.628 60.648 58.000 0.032 0.000 1.226 3394 F CB -0.991 38.030 39.000 0.034 0.000 0.983 3394 F HN 0.932 nan 8.300 nan 0.000 0.479 3395 A N 0.523 123.413 122.820 0.117 0.000 1.870 3395 A HA -0.295 4.023 4.320 -0.002 0.000 0.219 3395 A C 2.509 180.065 177.584 -0.048 0.000 1.224 3395 A CA 3.093 55.145 52.037 0.025 0.000 0.650 3395 A CB -1.815 17.225 19.000 0.068 0.000 0.836 3395 A HN 0.642 nan 8.150 nan 0.000 0.454 3396 A N -0.862 121.949 122.820 -0.015 0.000 1.903 3396 A HA -0.203 4.116 4.320 -0.002 0.000 0.219 3396 A C 2.314 179.855 177.584 -0.071 0.000 1.191 3396 A CA 1.943 53.965 52.037 -0.025 0.000 0.638 3396 A CB -0.753 18.246 19.000 -0.003 0.000 0.823 3396 A HN 0.664 nan 8.150 nan 0.000 0.451 3397 L N -1.438 119.715 121.223 -0.117 0.000 2.027 3397 L HA -0.166 4.173 4.340 -0.002 0.000 0.206 3397 L C 2.816 179.534 176.870 -0.255 0.000 1.074 3397 L CA 1.857 56.594 54.840 -0.172 0.000 0.745 3397 L CB -0.349 41.596 42.059 -0.190 0.000 0.898 3397 L HN 0.471 nan 8.230 nan 0.000 0.433 3398 R N -0.471 119.780 120.500 -0.415 0.000 2.105 3398 R HA -0.204 4.135 4.340 -0.002 0.000 0.239 3398 R C 2.158 178.350 176.300 -0.180 0.000 1.135 3398 R CA 1.568 57.435 56.100 -0.388 0.000 0.967 3398 R CB -0.234 29.791 30.300 -0.459 0.000 0.861 3398 R HN 0.512 nan 8.270 nan 0.000 0.442 3399 A N 0.111 122.857 122.820 -0.124 0.000 1.929 3399 A HA -0.137 4.182 4.320 -0.002 0.000 0.216 3399 A C 1.966 179.515 177.584 -0.059 0.000 1.176 3399 A CA 0.980 52.980 52.037 -0.061 0.000 0.628 3399 A CB -0.272 18.712 19.000 -0.026 0.000 0.816 3399 A HN 0.398 nan 8.150 nan 0.000 0.444 3400 Q N -0.149 119.610 119.800 -0.068 0.000 2.119 3400 Q HA -0.111 4.228 4.340 -0.002 0.000 0.201 3400 Q C 2.085 178.050 176.000 -0.058 0.000 0.972 3400 Q CA 1.873 57.644 55.803 -0.054 0.000 0.847 3400 Q CB -0.371 28.337 28.738 -0.050 0.000 0.903 3400 Q HN 0.707 nan 8.270 nan 0.000 0.433 3401 V N -2.881 116.987 119.914 -0.077 0.000 3.141 3401 V HA 0.046 4.165 4.120 -0.002 0.000 0.265 3401 V C 1.714 177.773 176.094 -0.059 0.000 1.126 3401 V CA 1.582 63.840 62.300 -0.069 0.000 1.141 3401 V CB -0.875 30.896 31.823 -0.086 0.000 0.743 3401 V HN 0.268 nan 8.190 nan 0.000 0.492 3402 G N -0.255 108.510 108.800 -0.059 0.000 2.985 3402 G HA2 0.086 4.044 3.960 -0.002 0.000 0.209 3402 G HA3 0.086 4.044 3.960 -0.002 0.000 0.209 3402 G C 0.915 175.790 174.900 -0.041 0.000 1.165 3402 G CA 0.716 45.787 45.100 -0.048 0.000 0.776 3402 G HN 0.503 nan 8.290 nan 0.000 0.541 3403 T N 1.131 115.662 114.554 -0.039 0.000 3.269 3403 T HA 0.469 4.818 4.350 -0.002 0.000 0.269 3403 T C -0.091 174.590 174.700 -0.032 0.000 0.993 3403 T CA 0.013 62.093 62.100 -0.034 0.000 0.909 3403 T CB -0.170 68.680 68.868 -0.030 0.000 1.115 3403 T HN 0.096 nan 8.240 nan 0.000 0.543 3404 M N 1.918 121.497 119.600 -0.035 0.000 2.182 3404 M HA 0.352 4.831 4.480 -0.002 0.000 0.266 3404 M C -2.994 173.283 176.300 -0.038 0.000 0.989 3404 M CA -1.609 53.671 55.300 -0.034 0.000 1.003 3404 M CB 2.819 35.399 32.600 -0.034 0.000 1.812 3404 M HN -0.193 nan 8.290 nan 0.000 0.472 3405 P HA 0.249 nan 4.420 nan 0.000 0.274 3405 P C -0.416 176.851 177.300 -0.055 0.000 1.231 3405 P CA -0.537 62.532 63.100 -0.051 0.000 0.790 3405 P CB 0.541 32.209 31.700 -0.053 0.000 0.951 3406 V N 1.528 121.402 119.914 -0.066 0.000 3.212 3406 V HA -0.039 4.080 4.120 -0.002 0.000 0.280 3406 V C 1.925 177.985 176.094 -0.056 0.000 1.369 3406 V CA 1.694 63.956 62.300 -0.063 0.000 1.428 3406 V CB -1.290 30.485 31.823 -0.080 0.000 0.980 3406 V HN 1.058 nan 8.190 nan 0.000 0.527 3407 G N 2.195 110.967 108.800 -0.046 0.000 2.228 3407 G HA2 -0.307 3.652 3.960 -0.002 0.000 0.270 3407 G HA3 -0.307 3.652 3.960 -0.002 0.000 0.270 3407 G C 0.445 175.326 174.900 -0.033 0.000 0.976 3407 G CA 0.521 45.597 45.100 -0.039 0.000 0.636 3407 G HN 0.946 nan 8.290 nan 0.000 0.542 3408 S N 0.050 115.730 115.700 -0.033 0.000 2.589 3408 S HA 0.470 4.939 4.470 -0.002 0.000 0.265 3408 S C 0.461 175.047 174.600 -0.024 0.000 1.342 3408 S CA 0.182 58.365 58.200 -0.028 0.000 1.005 3408 S CB 0.925 64.108 63.200 -0.029 0.000 0.909 3408 S HN 0.453 nan 8.310 nan 0.000 0.555 3409 K N 1.861 122.249 120.400 -0.020 0.000 2.413 3409 K HA 0.487 4.806 4.320 -0.002 0.000 0.257 3409 K C -1.046 175.545 176.600 -0.016 0.000 0.946 3409 K CA -0.399 55.878 56.287 -0.017 0.000 0.823 3409 K CB 1.165 33.657 32.500 -0.014 0.000 1.109 3409 K HN 0.525 nan 8.250 nan 0.000 0.427 3410 L N 0.109 121.323 121.223 -0.015 0.000 2.446 3410 L HA 0.475 4.814 4.340 -0.002 0.000 0.268 3410 L C -0.520 176.343 176.870 -0.011 0.000 0.975 3410 L CA -0.715 54.116 54.840 -0.014 0.000 0.848 3410 L CB 1.879 43.926 42.059 -0.018 0.000 1.225 3410 L HN 0.365 nan 8.230 nan 0.000 0.410 3411 T N 5.128 119.678 114.554 -0.008 0.000 2.749 3411 T HA 0.664 5.013 4.350 -0.002 0.000 0.295 3411 T C -0.380 174.318 174.700 -0.003 0.000 0.936 3411 T CA -0.205 61.892 62.100 -0.005 0.000 1.060 3411 T CB 0.159 69.024 68.868 -0.004 0.000 0.904 3411 T HN 0.491 nan 8.240 nan 0.000 0.500 3412 L N 4.057 125.280 121.223 0.000 0.000 2.341 3412 L HA 0.847 5.186 4.340 -0.002 0.000 0.267 3412 L C 0.519 177.394 176.870 0.009 0.000 1.009 3412 L CA -1.244 53.599 54.840 0.004 0.000 0.819 3412 L CB 0.904 42.965 42.059 0.004 0.000 1.323 3412 L HN 0.606 nan 8.230 nan 0.000 0.425 3413 G N 1.684 110.491 108.800 0.012 0.000 2.325 3413 G HA2 0.645 4.604 3.960 -0.002 0.000 0.298 3413 G HA3 0.645 4.604 3.960 -0.002 0.000 0.298 3413 G C -0.531 174.383 174.900 0.023 0.000 1.134 3413 G CA -0.413 44.697 45.100 0.015 0.000 0.876 3413 G HN 0.515 nan 8.290 nan 0.000 0.452 3414 L N 0.937 122.175 121.223 0.025 0.000 2.376 3414 L HA 0.682 5.021 4.340 -0.002 0.000 0.267 3414 L C -0.257 176.633 176.870 0.034 0.000 1.035 3414 L CA -1.051 53.810 54.840 0.035 0.000 0.800 3414 L CB 2.031 44.110 42.059 0.034 0.000 1.290 3414 L HN 0.340 nan 8.230 nan 0.000 0.462 3415 L N 0.604 121.853 121.223 0.043 0.000 2.482 3415 L HA 0.429 4.768 4.340 -0.002 0.000 0.269 3415 L C -0.134 176.760 176.870 0.041 0.000 0.967 3415 L CA -0.088 54.774 54.840 0.036 0.000 0.851 3415 L CB 1.548 43.627 42.059 0.034 0.000 1.242 3415 L HN 0.638 nan 8.230 nan 0.000 0.404 3416 R N 1.119 121.637 120.500 0.030 0.000 2.716 3416 R HA 0.234 4.573 4.340 -0.002 0.000 0.186 3416 R C -0.148 176.163 176.300 0.019 0.000 0.830 3416 R CA 0.545 56.663 56.100 0.030 0.000 1.059 3416 R CB 0.791 31.108 30.300 0.029 0.000 1.531 3416 R HN 0.727 nan 8.270 nan 0.000 0.633 3417 D N -2.430 117.979 120.400 0.015 0.000 2.153 3417 D HA 0.146 4.785 4.640 -0.002 0.000 0.388 3417 D C 0.208 176.514 176.300 0.009 0.000 1.014 3417 D CA 0.763 54.769 54.000 0.010 0.000 0.906 3417 D CB 1.825 42.630 40.800 0.009 0.000 1.552 3417 D HN 0.313 nan 8.370 nan 0.000 0.522 3418 G N 1.809 110.616 108.800 0.012 0.000 2.885 3418 G HA2 -0.031 3.928 3.960 -0.002 0.000 0.233 3418 G HA3 -0.031 3.928 3.960 -0.002 0.000 0.233 3418 G C -0.633 174.274 174.900 0.012 0.000 2.964 3418 G CA -0.716 44.390 45.100 0.011 0.000 0.824 3418 G HN -0.157 nan 8.290 nan 0.000 0.441 3419 K N 0.524 120.933 120.400 0.015 0.000 2.130 3419 K HA 0.724 5.043 4.320 -0.002 0.000 0.268 3419 K C -0.123 176.486 176.600 0.015 0.000 0.983 3419 K CA -0.584 55.712 56.287 0.014 0.000 0.893 3419 K CB 2.441 34.951 32.500 0.017 0.000 1.066 3419 K HN 0.550 nan 8.250 nan 0.000 0.450 3420 Q N 1.099 120.906 119.800 0.012 0.000 2.353 3420 Q HA 0.501 4.840 4.340 -0.002 0.000 0.275 3420 Q C -1.626 174.379 176.000 0.008 0.000 1.029 3420 Q CA -0.645 55.165 55.803 0.011 0.000 0.848 3420 Q CB 1.935 30.679 28.738 0.009 0.000 1.390 3420 Q HN 0.371 nan 8.270 nan 0.000 0.401 3421 V N 1.895 121.813 119.914 0.007 0.000 3.167 3421 V HA 0.657 4.776 4.120 -0.002 0.000 0.310 3421 V C -1.101 174.994 176.094 0.002 0.000 1.207 3421 V CA -1.043 61.260 62.300 0.004 0.000 1.059 3421 V CB 2.250 34.075 31.823 0.004 0.000 1.079 3421 V HN 0.944 nan 8.190 nan 0.000 0.446 3422 N N 0.902 119.602 118.700 -0.000 0.000 2.225 3422 N HA 0.815 5.553 4.740 -0.002 0.000 0.298 3422 N C -1.047 174.460 175.510 -0.004 0.000 1.076 3422 N CA -0.451 52.597 53.050 -0.003 0.000 0.792 3422 N CB 2.379 40.864 38.487 -0.003 0.000 1.498 3422 N HN 1.072 nan 8.380 nan 0.000 0.474 3423 V N -1.580 118.330 119.914 -0.006 0.000 3.282 3423 V HA 0.619 4.738 4.120 -0.002 0.000 0.295 3423 V C -1.424 174.663 176.094 -0.011 0.000 1.451 3423 V CA -1.161 61.134 62.300 -0.008 0.000 1.062 3423 V CB 1.753 33.572 31.823 -0.007 0.000 1.128 3423 V HN 0.956 nan 8.190 nan 0.000 0.456 3424 N N 1.859 120.551 118.700 -0.013 0.000 2.372 3424 N HA 0.533 5.272 4.740 -0.002 0.000 0.285 3424 N C -0.975 174.524 175.510 -0.019 0.000 1.008 3424 N CA -0.458 52.582 53.050 -0.017 0.000 0.880 3424 N CB 1.851 40.328 38.487 -0.017 0.000 1.239 3424 N HN 0.915 nan 8.380 nan 0.000 0.484 3425 L N 0.837 122.047 121.223 -0.022 0.000 2.399 3425 L HA 0.636 4.975 4.340 -0.002 0.000 0.265 3425 L C 0.653 177.506 176.870 -0.028 0.000 1.089 3425 L CA -0.512 54.314 54.840 -0.023 0.000 0.802 3425 L CB 0.183 42.227 42.059 -0.025 0.000 1.180 3425 L HN 0.549 nan 8.230 nan 0.000 0.454 3426 E N 0.960 121.144 120.200 -0.027 0.000 2.316 3426 E HA 0.354 4.703 4.350 -0.002 0.000 0.258 3426 E C -0.688 175.893 176.600 -0.033 0.000 0.952 3426 E CA -1.098 55.284 56.400 -0.031 0.000 0.818 3426 E CB 1.409 31.093 29.700 -0.027 0.000 1.260 3426 E HN 0.543 nan 8.360 nan 0.000 0.416 3427 L N 1.843 123.042 121.223 -0.039 0.000 2.593 3427 L HA -0.072 4.267 4.340 -0.002 0.000 0.287 3427 L C 0.821 177.675 176.870 -0.027 0.000 1.243 3427 L CA 0.994 55.811 54.840 -0.038 0.000 0.890 3427 L CB 0.107 42.141 42.059 -0.042 0.000 1.134 3427 L HN 0.824 nan 8.230 nan 0.000 0.502 3428 Q N 3.170 122.955 119.800 -0.024 0.000 2.651 3428 Q HA -0.031 4.308 4.340 -0.002 0.000 0.224 3428 Q C 0.695 176.689 176.000 -0.011 0.000 1.094 3428 Q CA 0.147 55.941 55.803 -0.015 0.000 1.018 3428 Q CB 0.608 29.338 28.738 -0.014 0.000 1.292 3428 Q HN 0.698 nan 8.270 nan 0.000 0.588 3429 Q N 0.392 120.188 119.800 -0.006 0.000 2.281 3429 Q HA 0.098 4.437 4.340 -0.002 0.000 0.215 3429 Q C 1.046 177.045 176.000 -0.001 0.000 0.867 3429 Q CA 0.582 56.382 55.803 -0.004 0.000 0.940 3429 Q CB 0.344 29.079 28.738 -0.004 0.000 1.111 3429 Q HN 0.600 nan 8.270 nan 0.000 0.513 3430 S N 2.131 117.832 115.700 0.002 0.000 2.356 3430 S HA -0.046 4.423 4.470 -0.002 0.000 0.223 3430 S C 0.963 175.567 174.600 0.006 0.000 1.032 3430 S CA 1.121 59.325 58.200 0.007 0.000 1.005 3430 S CB -0.097 63.109 63.200 0.011 0.000 0.867 3430 S HN 0.669 nan 8.310 nan 0.000 0.449 3431 S N 1.967 117.669 115.700 0.003 0.000 2.411 3431 S HA 0.573 5.042 4.470 -0.002 0.000 0.304 3431 S C -0.534 174.066 174.600 0.001 0.000 1.098 3431 S CA -0.702 57.499 58.200 0.003 0.000 1.068 3431 S CB 0.720 63.922 63.200 0.002 0.000 1.032 3431 S HN 0.348 nan 8.310 nan 0.000 0.511 3432 Q N 2.299 122.099 119.800 0.001 0.000 2.605 3432 Q HA 0.528 4.867 4.340 -0.002 0.000 0.296 3432 Q C -0.750 175.248 176.000 -0.003 0.000 1.056 3432 Q CA -1.157 54.645 55.803 -0.002 0.000 0.778 3432 Q CB 1.406 30.141 28.738 -0.005 0.000 1.497 3432 Q HN 0.675 nan 8.270 nan 0.000 0.443 3433 N N -0.118 118.577 118.700 -0.007 0.000 2.525 3433 N HA 0.383 5.122 4.740 -0.002 0.000 0.288 3433 N C -0.398 175.096 175.510 -0.027 0.000 1.242 3433 N CA -0.256 52.787 53.050 -0.012 0.000 0.905 3433 N CB 1.824 40.307 38.487 -0.007 0.000 1.258 3433 N HN 0.501 nan 8.380 nan 0.000 0.551 3434 Q N -0.433 119.341 119.800 -0.042 0.000 1.734 3434 Q HA 0.163 4.502 4.340 -0.002 0.000 0.147 3434 Q C 0.848 176.773 176.000 -0.126 0.000 0.447 3434 Q CA -0.179 55.577 55.803 -0.078 0.000 0.734 3434 Q CB 0.177 28.867 28.738 -0.080 0.000 0.855 3434 Q HN 0.449 nan 8.270 nan 0.000 0.259 3435 V N -0.581 119.231 119.914 -0.171 0.000 3.271 3435 V HA 0.289 4.407 4.120 -0.002 0.000 0.327 3435 V C -0.007 176.025 176.094 -0.103 0.000 1.389 3435 V CA 0.871 63.021 62.300 -0.250 0.000 1.156 3435 V CB -0.053 31.422 31.823 -0.578 0.000 1.103 3435 V HN 0.591 nan 8.190 nan 0.000 0.453 3436 D N -1.201 119.170 120.400 -0.049 0.000 2.433 3436 D HA 0.118 4.757 4.640 -0.002 0.000 0.211 3436 D C 1.623 177.927 176.300 0.007 0.000 1.114 3436 D CA 0.755 54.754 54.000 -0.002 0.000 0.837 3436 D CB 0.607 41.413 40.800 0.011 0.000 0.984 3436 D HN 0.276 nan 8.370 nan 0.000 0.505 3437 S N -0.495 115.201 115.700 -0.006 0.000 2.348 3437 S HA 0.049 4.518 4.470 -0.002 0.000 0.219 3437 S C 0.791 175.399 174.600 0.013 0.000 1.033 3437 S CA 0.260 58.463 58.200 0.005 0.000 0.974 3437 S CB -0.044 63.155 63.200 -0.002 0.000 0.868 3437 S HN 0.202 nan 8.310 nan 0.000 0.459 3438 S N 2.201 117.906 115.700 0.009 0.000 2.410 3438 S HA 0.205 4.674 4.470 -0.002 0.000 0.304 3438 S C 1.155 175.777 174.600 0.036 0.000 1.095 3438 S CA -0.450 57.764 58.200 0.022 0.000 1.089 3438 S CB 1.351 64.563 63.200 0.021 0.000 0.968 3438 S HN 0.540 nan 8.310 nan 0.000 0.480 3439 S N 2.999 118.725 115.700 0.042 0.000 2.462 3439 S HA -0.215 4.254 4.470 -0.002 0.000 0.251 3439 S C 1.301 175.948 174.600 0.078 0.000 1.018 3439 S CA 0.947 59.179 58.200 0.055 0.000 0.988 3439 S CB -0.595 62.633 63.200 0.046 0.000 0.766 3439 S HN 0.656 nan 8.310 nan 0.000 0.504 3440 I N 0.177 120.796 120.570 0.082 0.000 3.252 3440 I HA 0.444 4.613 4.170 -0.002 0.000 0.151 3440 I C 0.283 176.532 176.117 0.220 0.000 1.031 3440 I CA 0.763 62.135 61.300 0.120 0.000 1.364 3440 I CB -0.012 38.048 38.000 0.099 0.000 1.211 3440 I HN 0.398 nan 8.210 nan 0.000 0.436 3441 F N -0.596 119.364 119.950 0.017 0.000 2.765 3441 F HA 0.256 4.782 4.527 -0.002 0.000 0.313 3441 F C -0.643 175.167 175.800 0.017 0.000 1.136 3441 F CA -0.571 57.439 58.000 0.017 0.000 0.952 3441 F CB 0.190 39.199 39.000 0.015 0.000 1.268 3441 F HN 0.482 nan 8.300 nan 0.000 0.441 3442 N N 1.203 119.475 118.700 -0.713 0.000 2.448 3442 N HA 0.340 5.079 4.740 -0.002 0.000 0.203 3442 N C -1.883 173.301 175.510 -0.543 0.000 1.794 3442 N CA -0.592 52.246 53.050 -0.353 0.000 1.445 3442 N CB 0.660 39.043 38.487 -0.174 0.000 1.055 3442 N HN 0.546 nan 8.380 nan 0.000 0.859 3443 E N 0.009 120.182 120.200 -0.044 0.000 2.956 3443 E HA 0.269 4.618 4.350 -0.002 0.000 0.353 3443 E C -1.195 175.391 176.600 -0.023 0.000 1.131 3443 E CA -0.053 56.327 56.400 -0.033 0.000 0.851 3443 E CB 0.750 30.434 29.700 -0.026 0.000 1.500 3443 E HN 0.212 nan 8.360 nan 0.000 0.384 3444 M N 0.729 120.317 119.600 -0.021 0.000 2.278 3444 M HA 0.531 5.010 4.480 -0.002 0.000 0.227 3444 M C 0.484 176.778 176.300 -0.010 0.000 1.138 3444 M CA -0.210 55.081 55.300 -0.014 0.000 1.014 3444 M CB 0.811 33.404 32.600 -0.011 0.000 1.289 3444 M HN 0.300 nan 8.290 nan 0.000 0.567 3445 S N -1.982 113.714 115.700 -0.007 0.000 2.663 3445 S HA 0.474 4.943 4.470 -0.002 0.000 0.264 3445 S C -1.558 173.038 174.600 -0.006 0.000 1.112 3445 S CA -1.329 56.867 58.200 -0.005 0.000 0.823 3445 S CB 0.487 63.681 63.200 -0.009 0.000 1.111 3445 S HN 0.566 nan 8.310 nan 0.000 0.476 3446 N N 0.734 119.428 118.700 -0.010 0.000 2.483 3446 N HA 0.527 5.266 4.740 -0.002 0.000 0.269 3446 N C -0.796 174.697 175.510 -0.027 0.000 1.209 3446 N CA -0.265 52.775 53.050 -0.018 0.000 0.969 3446 N CB 1.016 39.484 38.487 -0.032 0.000 1.173 3446 N HN 0.627 nan 8.380 nan 0.000 0.475 3447 K N 0.388 120.771 120.400 -0.028 0.000 2.413 3447 K HA 0.469 4.788 4.320 -0.002 0.000 0.257 3447 K C 0.489 177.066 176.600 -0.038 0.000 0.946 3447 K CA -0.301 55.969 56.287 -0.029 0.000 0.823 3447 K CB 0.805 33.293 32.500 -0.020 0.000 1.109 3447 K HN 0.686 nan 8.250 nan 0.000 0.427 3448 G N 3.782 112.556 108.800 -0.044 0.000 2.568 3448 G HA2 -0.374 3.585 3.960 -0.002 0.000 0.334 3448 G HA3 -0.374 3.585 3.960 -0.002 0.000 0.334 3448 G C -0.119 174.740 174.900 -0.067 0.000 1.348 3448 G CA 0.588 45.658 45.100 -0.050 0.000 0.949 3448 G HN 0.737 nan 8.290 nan 0.000 0.532 3449 K N 0.639 121.003 120.400 -0.060 0.000 2.797 3449 K HA 0.105 4.424 4.320 -0.002 0.000 0.307 3449 K C 0.530 177.095 176.600 -0.058 0.000 1.072 3449 K CA 0.645 56.889 56.287 -0.071 0.000 0.981 3449 K CB -0.725 31.746 32.500 -0.048 0.000 1.078 3449 K HN 0.444 nan 8.250 nan 0.000 0.459 3450 D N 1.224 121.602 120.400 -0.037 0.000 2.941 3450 D HA 0.012 4.651 4.640 -0.002 0.000 0.236 3450 D C -0.299 175.999 176.300 -0.004 0.000 1.147 3450 D CA 0.422 54.416 54.000 -0.010 0.000 0.975 3450 D CB -0.486 40.323 40.800 0.015 0.000 1.162 3450 D HN 0.231 nan 8.370 nan 0.000 0.444 3451 Q N 0.731 120.524 119.800 -0.012 0.000 2.819 3451 Q HA 0.384 4.722 4.340 -0.002 0.000 0.392 3451 Q C 0.814 176.812 176.000 -0.003 0.000 1.088 3451 Q CA -0.620 55.179 55.803 -0.007 0.000 1.062 3451 Q CB 0.868 29.599 28.738 -0.012 0.000 1.369 3451 Q HN 0.425 nan 8.270 nan 0.000 0.434 3452 G N -0.234 108.569 108.800 0.005 0.000 2.750 3452 G HA2 -0.247 3.712 3.960 -0.002 0.000 0.228 3452 G HA3 -0.247 3.712 3.960 -0.002 0.000 0.228 3452 G C -0.637 174.267 174.900 0.005 0.000 1.367 3452 G CA -0.740 44.365 45.100 0.009 0.000 0.871 3452 G HN 0.261 nan 8.290 nan 0.000 0.560 3453 V N 0.167 120.086 119.914 0.007 0.000 2.349 3453 V HA 0.499 4.618 4.120 -0.002 0.000 0.284 3453 V C 0.638 176.731 176.094 -0.002 0.000 1.014 3453 V CA -0.656 61.647 62.300 0.004 0.000 0.826 3453 V CB 1.348 33.177 31.823 0.011 0.000 1.009 3453 V HN 0.844 nan 8.190 nan 0.000 0.431 3454 V N 5.901 125.811 119.914 -0.007 0.000 2.488 3454 V HA 0.249 4.368 4.120 -0.002 0.000 0.277 3454 V C 0.318 176.405 176.094 -0.011 0.000 1.046 3454 V CA -0.009 62.285 62.300 -0.010 0.000 0.986 3454 V CB 1.811 33.626 31.823 -0.013 0.000 0.989 3454 V HN 0.653 nan 8.190 nan 0.000 0.475 3455 V N 7.682 127.589 119.914 -0.012 0.000 2.607 3455 V HA 0.447 4.566 4.120 -0.002 0.000 0.289 3455 V C 0.372 176.458 176.094 -0.013 0.000 1.053 3455 V CA -0.271 62.021 62.300 -0.013 0.000 0.996 3455 V CB 1.403 33.218 31.823 -0.013 0.000 0.995 3455 V HN 0.973 nan 8.190 nan 0.000 0.476 3456 N N 3.770 122.462 118.700 -0.014 0.000 2.752 3456 N HA 0.292 5.031 4.740 -0.002 0.000 0.316 3456 N C -0.336 175.167 175.510 -0.012 0.000 1.343 3456 N CA -0.732 52.310 53.050 -0.013 0.000 0.875 3456 N CB -0.001 38.479 38.487 -0.012 0.000 1.120 3456 N HN 0.688 nan 8.380 nan 0.000 0.562 3457 N N 1.742 120.436 118.700 -0.011 0.000 2.291 3457 N HA -0.046 4.692 4.740 -0.002 0.000 0.281 3457 N C 0.043 175.547 175.510 -0.010 0.000 1.388 3457 N CA 0.224 53.268 53.050 -0.009 0.000 0.920 3457 N CB -0.227 38.256 38.487 -0.008 0.000 1.276 3457 N HN 0.272 nan 8.380 nan 0.000 0.493 3458 V N 0.538 120.446 119.914 -0.009 0.000 3.185 3458 V HA 0.306 4.425 4.120 -0.002 0.000 0.305 3458 V C 0.973 177.064 176.094 -0.005 0.000 1.090 3458 V CA -0.343 61.952 62.300 -0.009 0.000 1.107 3458 V CB 1.028 32.847 31.823 -0.007 0.000 1.061 3458 V HN 0.297 nan 8.190 nan 0.000 0.480 3459 K N 1.143 121.541 120.400 -0.003 0.000 2.642 3459 K HA 0.510 4.829 4.320 -0.002 0.000 0.273 3459 K C 1.268 177.874 176.600 0.009 0.000 1.029 3459 K CA -0.006 56.283 56.287 0.004 0.000 1.071 3459 K CB 0.595 33.099 32.500 0.006 0.000 1.451 3459 K HN 0.830 nan 8.250 nan 0.000 0.559 3460 T N -0.227 114.336 114.554 0.015 0.000 3.010 3460 T HA 0.012 4.360 4.350 -0.002 0.000 0.252 3460 T C 1.652 176.367 174.700 0.024 0.000 1.047 3460 T CA 1.015 63.126 62.100 0.018 0.000 1.140 3460 T CB -0.205 68.675 68.868 0.020 0.000 0.885 3460 T HN 0.699 nan 8.240 nan 0.000 0.464 3461 G N 1.944 110.763 108.800 0.032 0.000 2.448 3461 G HA2 -0.150 3.809 3.960 -0.002 0.000 0.219 3461 G HA3 -0.150 3.809 3.960 -0.002 0.000 0.219 3461 G C 1.059 175.981 174.900 0.037 0.000 1.127 3461 G CA 1.637 46.762 45.100 0.042 0.000 0.766 3461 G HN 0.700 nan 8.290 nan 0.000 0.552 3462 T N -2.687 111.884 114.554 0.028 0.000 3.996 3462 T HA -0.193 4.156 4.350 -0.002 0.000 0.348 3462 T C -0.740 173.977 174.700 0.027 0.000 0.757 3462 T CA 1.118 63.231 62.100 0.021 0.000 1.898 3462 T CB -2.252 66.626 68.868 0.017 0.000 1.861 3462 T HN 0.423 nan 8.240 nan 0.000 0.821 3463 P HA 0.150 nan 4.420 nan 0.000 0.218 3463 P C 1.751 179.071 177.300 0.033 0.000 1.149 3463 P CA 1.446 64.577 63.100 0.051 0.000 0.817 3463 P CB -0.255 31.499 31.700 0.089 0.000 0.785 3464 A N -0.659 122.169 122.820 0.013 0.000 2.044 3464 A HA 0.280 4.599 4.320 -0.002 0.000 0.213 3464 A C 2.166 179.752 177.584 0.003 0.000 1.169 3464 A CA 1.074 53.113 52.037 0.003 0.000 0.724 3464 A CB -1.167 17.824 19.000 -0.016 0.000 0.840 3464 A HN 0.139 nan 8.150 nan 0.000 0.463 3465 A N -0.468 122.354 122.820 0.004 0.000 1.929 3465 A HA -0.137 4.181 4.320 -0.002 0.000 0.216 3465 A C 1.988 179.576 177.584 0.006 0.000 1.176 3465 A CA 1.412 53.450 52.037 0.002 0.000 0.628 3465 A CB -0.509 18.492 19.000 0.002 0.000 0.816 3465 A HN 0.558 nan 8.150 nan 0.000 0.444 3466 Q N -1.462 118.346 119.800 0.012 0.000 2.368 3466 Q HA -0.105 4.234 4.340 -0.002 0.000 0.210 3466 Q C 0.865 176.874 176.000 0.015 0.000 0.982 3466 Q CA 0.827 56.639 55.803 0.015 0.000 0.884 3466 Q CB -0.140 28.611 28.738 0.022 0.000 0.933 3466 Q HN 0.604 nan 8.270 nan 0.000 0.460 3467 I N -0.540 120.038 120.570 0.014 0.000 3.858 3467 I HA 0.157 4.326 4.170 -0.002 0.000 0.325 3467 I C 0.629 176.751 176.117 0.008 0.000 1.403 3467 I CA 0.478 61.787 61.300 0.015 0.000 1.169 3467 I CB 0.040 38.051 38.000 0.019 0.000 1.077 3467 I HN 0.206 nan 8.210 nan 0.000 0.403 3468 G N 0.972 109.774 108.800 0.003 0.000 2.160 3468 G HA2 -0.221 3.738 3.960 -0.002 0.000 0.244 3468 G HA3 -0.221 3.738 3.960 -0.002 0.000 0.244 3468 G C -0.252 174.640 174.900 -0.013 0.000 1.022 3468 G CA -0.007 45.090 45.100 -0.006 0.000 0.741 3468 G HN 0.208 nan 8.290 nan 0.000 0.508 3469 L N 0.514 121.732 121.223 -0.009 0.000 2.294 3469 L HA 0.566 4.905 4.340 -0.002 0.000 0.283 3469 L C 0.805 177.668 176.870 -0.012 0.000 1.015 3469 L CA -0.504 54.328 54.840 -0.013 0.000 0.831 3469 L CB 1.392 43.445 42.059 -0.010 0.000 1.217 3469 L HN 0.291 nan 8.230 nan 0.000 0.420 3470 K N 2.039 122.429 120.400 -0.016 0.000 3.015 3470 K HA 0.237 4.556 4.320 -0.002 0.000 0.340 3470 K C 0.883 177.475 176.600 -0.013 0.000 1.002 3470 K CA -0.011 56.268 56.287 -0.014 0.000 1.190 3470 K CB 0.534 33.024 32.500 -0.017 0.000 1.241 3470 K HN 0.454 nan 8.250 nan 0.000 0.507 3471 K N -1.002 119.390 120.400 -0.013 0.000 2.262 3471 K HA 0.096 4.415 4.320 -0.002 0.000 0.200 3471 K C 0.506 177.098 176.600 -0.014 0.000 1.049 3471 K CA 0.749 57.029 56.287 -0.012 0.000 0.979 3471 K CB 0.593 33.086 32.500 -0.011 0.000 0.773 3471 K HN 0.552 nan 8.250 nan 0.000 0.474 3472 G N 2.093 110.884 108.800 -0.015 0.000 4.713 3472 G HA2 0.165 4.124 3.960 -0.002 0.000 0.318 3472 G HA3 0.165 4.124 3.960 -0.002 0.000 0.318 3472 G C -1.615 173.274 174.900 -0.018 0.000 1.435 3472 G CA -0.463 44.628 45.100 -0.016 0.000 0.965 3472 G HN -0.030 nan 8.290 nan 0.000 0.542 3473 D N 1.005 121.394 120.400 -0.019 0.000 2.414 3473 D HA 0.429 5.068 4.640 -0.002 0.000 0.232 3473 D C 0.559 176.848 176.300 -0.018 0.000 1.070 3473 D CA -0.268 53.719 54.000 -0.022 0.000 0.839 3473 D CB 2.391 43.176 40.800 -0.024 0.000 1.079 3473 D HN 0.095 nan 8.370 nan 0.000 0.521 3474 V N 2.259 122.162 119.914 -0.018 0.000 3.214 3474 V HA 0.406 4.525 4.120 -0.002 0.000 0.306 3474 V C 0.643 176.732 176.094 -0.007 0.000 1.078 3474 V CA -0.579 61.714 62.300 -0.011 0.000 1.077 3474 V CB 0.993 32.810 31.823 -0.010 0.000 1.121 3474 V HN 0.486 nan 8.190 nan 0.000 0.468 3475 I N 2.627 123.199 120.570 0.003 0.000 2.719 3475 I HA 0.246 4.415 4.170 -0.002 0.000 0.275 3475 I C 0.165 176.295 176.117 0.022 0.000 1.228 3475 I CA -0.181 61.127 61.300 0.013 0.000 1.035 3475 I CB 1.288 39.297 38.000 0.015 0.000 1.286 3475 I HN 0.462 nan 8.210 nan 0.000 0.531 3476 I N 1.906 122.491 120.570 0.026 0.000 3.226 3476 I HA 0.134 4.303 4.170 -0.002 0.000 0.277 3476 I C 1.451 177.593 176.117 0.042 0.000 1.243 3476 I CA 0.627 61.946 61.300 0.030 0.000 1.459 3476 I CB -0.701 37.316 38.000 0.028 0.000 1.093 3476 I HN 0.428 nan 8.210 nan 0.000 0.453 3477 G N 1.529 110.363 108.800 0.056 0.000 2.350 3477 G HA2 0.465 4.424 3.960 -0.002 0.000 0.306 3477 G HA3 0.465 4.424 3.960 -0.002 0.000 0.306 3477 G C 0.457 175.391 174.900 0.056 0.000 1.094 3477 G CA -0.250 44.891 45.100 0.068 0.000 0.953 3477 G HN 0.281 nan 8.290 nan 0.000 0.420 3478 A N 3.482 126.327 122.820 0.042 0.000 3.004 3478 A HA 0.265 4.584 4.320 -0.002 0.000 0.252 3478 A C 1.409 179.013 177.584 0.033 0.000 1.802 3478 A CA 0.273 52.331 52.037 0.034 0.000 1.424 3478 A CB -1.032 17.984 19.000 0.027 0.000 1.005 3478 A HN 1.396 nan 8.150 nan 0.000 0.631 3479 N N -0.229 118.497 118.700 0.043 0.000 2.815 3479 N HA -0.339 4.400 4.740 -0.002 0.000 0.247 3479 N C 0.888 176.412 175.510 0.023 0.000 1.030 3479 N CA 2.776 55.849 53.050 0.040 0.000 0.881 3479 N CB -0.685 37.820 38.487 0.030 0.000 1.134 3479 N HN 0.915 nan 8.380 nan 0.000 0.582 3480 Q N -5.434 114.378 119.800 0.021 0.000 7.202 3480 Q HA -0.054 4.285 4.340 -0.002 0.000 0.338 3480 Q C -0.012 175.994 176.000 0.009 0.000 0.933 3480 Q CA -0.159 55.644 55.803 0.001 0.000 0.563 3480 Q CB -0.381 28.353 28.738 -0.008 0.000 0.472 3480 Q HN 0.403 nan 8.270 nan 0.000 0.823 3481 Q N 0.960 120.771 119.800 0.017 0.000 2.665 3481 Q HA 0.785 5.124 4.340 -0.002 0.000 0.176 3481 Q C -0.580 175.436 176.000 0.026 0.000 1.025 3481 Q CA 0.025 55.839 55.803 0.018 0.000 0.953 3481 Q CB 1.402 30.149 28.738 0.015 0.000 2.143 3481 Q HN 0.360 nan 8.270 nan 0.000 0.464 3482 A N 0.608 123.442 122.820 0.024 0.000 2.320 3482 A HA 0.415 4.734 4.320 -0.002 0.000 0.287 3482 A C -0.636 176.965 177.584 0.029 0.000 1.181 3482 A CA -0.268 51.785 52.037 0.026 0.000 0.831 3482 A CB 0.339 19.353 19.000 0.023 0.000 1.102 3482 A HN 0.317 nan 8.150 nan 0.000 0.513 3483 V N 5.356 125.288 119.914 0.031 0.000 2.320 3483 V HA 0.091 4.210 4.120 -0.002 0.000 0.257 3483 V C 1.214 177.327 176.094 0.031 0.000 0.996 3483 V CA -0.354 61.965 62.300 0.032 0.000 0.928 3483 V CB 0.452 32.293 31.823 0.031 0.000 1.169 3483 V HN 1.110 nan 8.190 nan 0.000 0.475 3484 K N 1.450 121.871 120.400 0.035 0.000 2.365 3484 K HA 0.000 4.319 4.320 -0.002 0.000 0.199 3484 K C 0.378 177.002 176.600 0.040 0.000 1.045 3484 K CA 0.917 57.224 56.287 0.033 0.000 0.962 3484 K CB 0.102 32.625 32.500 0.038 0.000 0.759 3484 K HN 0.696 nan 8.250 nan 0.000 0.469 3485 N N -1.067 117.664 118.700 0.052 0.000 2.961 3485 N HA 0.154 4.893 4.740 -0.002 0.000 0.245 3485 N C 0.216 175.760 175.510 0.058 0.000 1.404 3485 N CA -0.830 52.259 53.050 0.064 0.000 0.880 3485 N CB 0.171 38.732 38.487 0.123 0.000 1.461 3485 N HN -0.125 nan 8.380 nan 0.000 0.510 3486 I N -0.232 120.372 120.570 0.056 0.000 2.423 3486 I HA -0.206 3.963 4.170 -0.002 0.000 0.254 3486 I C 2.201 178.344 176.117 0.043 0.000 1.151 3486 I CA 1.647 62.973 61.300 0.043 0.000 1.421 3486 I CB -0.572 37.450 38.000 0.037 0.000 1.079 3486 I HN 0.754 nan 8.210 nan 0.000 0.431 3487 A N 0.727 123.579 122.820 0.054 0.000 1.855 3487 A HA -0.200 4.119 4.320 -0.002 0.000 0.215 3487 A C 2.281 179.882 177.584 0.029 0.000 1.191 3487 A CA 1.548 53.604 52.037 0.032 0.000 0.613 3487 A CB -0.506 18.500 19.000 0.009 0.000 0.829 3487 A HN 0.397 nan 8.150 nan 0.000 0.442 3488 E N -0.387 119.835 120.200 0.036 0.000 2.017 3488 E HA -0.166 4.183 4.350 -0.002 0.000 0.193 3488 E C 2.081 178.698 176.600 0.029 0.000 0.997 3488 E CA 1.029 57.448 56.400 0.031 0.000 0.804 3488 E CB -0.312 29.410 29.700 0.037 0.000 0.757 3488 E HN 0.489 nan 8.360 nan 0.000 0.448 3489 L N 1.604 122.846 121.223 0.032 0.000 1.978 3489 L HA -0.274 4.065 4.340 -0.002 0.000 0.218 3489 L C 2.398 179.284 176.870 0.027 0.000 1.075 3489 L CA 2.022 56.879 54.840 0.028 0.000 0.767 3489 L CB -0.642 41.433 42.059 0.027 0.000 0.890 3489 L HN 0.099 nan 8.230 nan 0.000 0.434 3490 R N 0.033 120.549 120.500 0.027 0.000 2.193 3490 R HA -0.226 4.113 4.340 -0.002 0.000 0.229 3490 R C 2.272 178.588 176.300 0.028 0.000 1.110 3490 R CA 1.577 57.693 56.100 0.027 0.000 0.988 3490 R CB -0.078 30.239 30.300 0.028 0.000 0.871 3490 R HN 0.363 nan 8.270 nan 0.000 0.458 3491 K N -0.573 119.843 120.400 0.027 0.000 2.288 3491 K HA -0.030 4.289 4.320 -0.002 0.000 0.201 3491 K C 1.324 177.937 176.600 0.021 0.000 1.048 3491 K CA 0.962 57.263 56.287 0.024 0.000 0.956 3491 K CB 0.393 32.906 32.500 0.021 0.000 0.746 3491 K HN 0.050 nan 8.250 nan 0.000 0.461 3492 V N 0.488 120.415 119.914 0.022 0.000 2.795 3492 V HA -0.002 4.117 4.120 -0.002 0.000 0.243 3492 V C 1.564 177.671 176.094 0.021 0.000 1.069 3492 V CA 0.628 62.940 62.300 0.020 0.000 1.089 3492 V CB -0.133 31.702 31.823 0.021 0.000 0.756 3492 V HN 0.215 nan 8.190 nan 0.000 0.471 3493 L N 0.950 122.187 121.223 0.024 0.000 2.737 3493 L HA 0.043 4.382 4.340 -0.002 0.000 0.246 3493 L C 1.473 178.359 176.870 0.026 0.000 1.153 3493 L CA 1.090 55.946 54.840 0.026 0.000 0.920 3493 L CB -0.499 41.576 42.059 0.027 0.000 1.090 3493 L HN 0.443 nan 8.230 nan 0.000 0.430 3494 D N -1.429 118.986 120.400 0.024 0.000 2.415 3494 D HA -0.074 4.565 4.640 -0.002 0.000 0.269 3494 D C 2.012 178.323 176.300 0.018 0.000 1.099 3494 D CA 0.862 54.876 54.000 0.023 0.000 0.865 3494 D CB 0.417 41.232 40.800 0.025 0.000 1.359 3494 D HN 0.093 nan 8.370 nan 0.000 0.506 3495 S N 0.025 115.734 115.700 0.016 0.000 2.387 3495 S HA -0.036 4.433 4.470 -0.002 0.000 0.221 3495 S C 0.996 175.604 174.600 0.012 0.000 1.041 3495 S CA 0.199 58.407 58.200 0.012 0.000 0.959 3495 S CB -0.471 62.736 63.200 0.011 0.000 0.843 3495 S HN 0.276 nan 8.310 nan 0.000 0.488 3496 K N 1.540 121.948 120.400 0.014 0.000 2.602 3496 K HA 0.509 4.828 4.320 -0.002 0.000 0.201 3496 K C -2.844 173.765 176.600 0.016 0.000 1.070 3496 K CA -1.660 54.634 56.287 0.013 0.000 1.026 3496 K CB 1.107 33.614 32.500 0.011 0.000 1.534 3496 K HN 0.071 nan 8.250 nan 0.000 0.560 3497 P HA -0.088 nan 4.420 nan 0.000 0.252 3497 P C 0.447 177.758 177.300 0.018 0.000 1.265 3497 P CA 0.372 63.484 63.100 0.020 0.000 0.775 3497 P CB 0.346 32.058 31.700 0.021 0.000 1.128 3498 S N -1.738 113.971 115.700 0.015 0.000 2.288 3498 S HA 0.034 4.503 4.470 -0.002 0.000 0.191 3498 S C 0.771 175.379 174.600 0.015 0.000 1.028 3498 S CA 0.372 58.580 58.200 0.013 0.000 1.030 3498 S CB -0.866 62.340 63.200 0.010 0.000 0.932 3498 S HN -0.110 nan 8.310 nan 0.000 0.463 3499 V N 2.675 122.596 119.914 0.013 0.000 2.427 3499 V HA 0.667 4.786 4.120 -0.002 0.000 0.286 3499 V C -0.769 175.336 176.094 0.017 0.000 1.034 3499 V CA -0.613 61.695 62.300 0.014 0.000 0.893 3499 V CB 1.012 32.840 31.823 0.008 0.000 0.982 3499 V HN 0.568 nan 8.190 nan 0.000 0.452 3500 L N 5.142 126.379 121.223 0.023 0.000 2.404 3500 L HA 0.880 5.219 4.340 -0.002 0.000 0.272 3500 L C -0.186 176.707 176.870 0.037 0.000 0.980 3500 L CA -0.340 54.517 54.840 0.029 0.000 0.836 3500 L CB 1.506 43.583 42.059 0.031 0.000 1.238 3500 L HN 0.706 nan 8.230 nan 0.000 0.408 3501 A N 5.988 128.834 122.820 0.044 0.000 2.363 3501 A HA 0.619 4.938 4.320 -0.002 0.000 0.296 3501 A C -1.256 176.385 177.584 0.095 0.000 1.237 3501 A CA -0.518 51.562 52.037 0.071 0.000 0.773 3501 A CB 0.525 19.559 19.000 0.057 0.000 1.153 3501 A HN 0.516 nan 8.150 nan 0.000 0.473 3502 L N 2.811 124.090 121.223 0.094 0.000 2.433 3502 L HA 0.116 4.455 4.340 -0.002 0.000 0.284 3502 L C -0.112 176.836 176.870 0.131 0.000 1.120 3502 L CA 0.078 54.971 54.840 0.087 0.000 0.879 3502 L CB -0.812 41.277 42.059 0.050 0.000 1.232 3502 L HN 0.609 nan 8.230 nan 0.000 0.454 3503 N N 4.401 123.206 118.700 0.175 0.000 2.950 3503 N HA 0.083 4.822 4.740 -0.002 0.000 0.313 3503 N C 0.324 175.881 175.510 0.077 0.000 1.213 3503 N CA 0.088 53.293 53.050 0.258 0.000 1.184 3503 N CB -0.415 38.227 38.487 0.258 0.000 1.454 3503 N HN 0.618 nan 8.380 nan 0.000 0.532 3504 I N -1.625 118.938 120.570 -0.012 0.000 2.499 3504 I HA 0.377 4.546 4.170 -0.002 0.000 0.296 3504 I C -0.453 175.602 176.117 -0.103 0.000 0.992 3504 I CA -0.801 60.473 61.300 -0.043 0.000 1.297 3504 I CB 1.336 39.314 38.000 -0.037 0.000 1.410 3504 I HN 0.115 nan 8.210 nan 0.000 0.507 3505 Q N 6.485 126.244 119.800 -0.067 0.000 2.589 3505 Q HA 0.266 4.605 4.340 -0.002 0.000 0.245 3505 Q C -1.065 174.906 176.000 -0.047 0.000 0.931 3505 Q CA -0.672 55.086 55.803 -0.075 0.000 0.730 3505 Q CB 0.900 29.604 28.738 -0.058 0.000 1.315 3505 Q HN 0.980 nan 8.270 nan 0.000 0.469 3506 R N 0.904 121.375 120.500 -0.049 0.000 4.902 3506 R HA 0.430 4.769 4.340 -0.002 0.000 0.201 3506 R C 0.627 176.909 176.300 -0.030 0.000 2.020 3506 R CA 0.565 56.644 56.100 -0.035 0.000 1.674 3506 R CB -0.636 29.643 30.300 -0.034 0.000 1.349 3506 R HN 0.881 nan 8.270 nan 0.000 0.813 3507 G N 0.780 109.564 108.800 -0.027 0.000 3.922 3507 G HA2 -0.301 3.658 3.960 -0.002 0.000 0.208 3507 G HA3 -0.301 3.658 3.960 -0.002 0.000 0.208 3507 G C 0.343 175.229 174.900 -0.024 0.000 1.491 3507 G CA 0.321 45.408 45.100 -0.022 0.000 1.017 3507 G HN 0.474 nan 8.290 nan 0.000 0.603 3508 D N 0.697 121.080 120.400 -0.029 0.000 3.161 3508 D HA 0.193 4.832 4.640 -0.002 0.000 0.287 3508 D C 1.686 177.960 176.300 -0.043 0.000 1.343 3508 D CA 1.007 54.990 54.000 -0.029 0.000 1.070 3508 D CB -0.550 40.236 40.800 -0.023 0.000 1.188 3508 D HN 0.798 nan 8.370 nan 0.000 0.409 3509 S N 1.071 116.741 115.700 -0.051 0.000 2.673 3509 S HA 0.071 4.540 4.470 -0.002 0.000 0.308 3509 S C 0.092 174.623 174.600 -0.115 0.000 1.246 3509 S CA 0.066 58.221 58.200 -0.075 0.000 1.077 3509 S CB 0.175 63.334 63.200 -0.069 0.000 0.814 3509 S HN 0.051 nan 8.310 nan 0.000 0.503 3510 T N 5.462 119.918 114.554 -0.163 0.000 3.331 3510 T HA 0.403 4.752 4.350 -0.002 0.000 0.381 3510 T C 0.465 174.828 174.700 -0.562 0.000 1.656 3510 T CA -0.634 61.301 62.100 -0.276 0.000 1.453 3510 T CB -0.690 68.075 68.868 -0.172 0.000 1.066 3510 T HN 0.734 nan 8.240 nan 0.000 0.655 3511 I N -1.271 118.994 120.570 -0.508 0.000 3.078 3511 I HA 0.670 4.839 4.170 -0.002 0.000 0.318 3511 I C -1.040 174.609 176.117 -0.780 0.000 1.016 3511 I CA -1.379 59.590 61.300 -0.552 0.000 1.130 3511 I CB 1.006 38.876 38.000 -0.217 0.000 1.397 3511 I HN 0.219 nan 8.210 nan 0.000 0.570 3512 Y N 2.936 123.239 120.300 0.005 0.000 2.609 3512 Y HA 0.474 5.023 4.550 -0.002 0.000 0.350 3512 Y C -0.517 175.387 175.900 0.006 0.000 1.050 3512 Y CA -0.832 57.271 58.100 0.005 0.000 1.290 3512 Y CB 0.643 39.106 38.460 0.005 0.000 1.094 3512 Y HN 0.252 nan 8.280 nan 0.000 0.583 3513 L N 2.780 124.058 121.223 0.092 0.000 2.454 3513 L HA 0.472 4.811 4.340 -0.002 0.000 0.256 3513 L C 0.484 177.396 176.870 0.070 0.000 1.136 3513 L CA -0.721 54.158 54.840 0.064 0.000 0.804 3513 L CB 0.794 42.870 42.059 0.029 0.000 1.181 3513 L HN 0.517 nan 8.230 nan 0.000 0.469 3514 L N 0.000 121.254 121.223 0.052 0.000 2.949 3514 L HA 0.000 4.339 4.340 -0.002 0.000 0.249 3514 L CA 0.000 54.867 54.840 0.045 0.000 0.813 3514 L CB 0.000 42.082 42.059 0.038 0.000 0.961 3514 L HN 0.000 nan 8.230 nan 0.000 0.502