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 1vjj_1_B DATA FIRST_RESID 1 DATA SEQUENCE AALGVQSINW QTAFNRQAHH TDKFSSQELI LRRGQNFQVL MIMNKGLGSN DATA SEQUENCE ERLEFIVSTG PYPSESAMTK AVFPLSNGSS GGWSAVLQAS NGNTLTISIS DATA SEQUENCE SPASAPIGRY TMALQIFSQG GISSVKLGTF ILLFNPWLNV DSVFMGNHAE DATA SEQUENCE REEYVQEDAG IIFVGSTNRI GMIGWNFGQF EEDILSICLS ILDRSLNFRR DATA SEQUENCE DAATDVASRN DPKYVGRVLS AMINSNDDNG VLAGNWSGTY TGGRDPRSWN DATA SEQUENCE GSVEILKNWK KSGLSPVRYG QCWVFAGTLN TALRSLGIPS RVITNFNSAH DATA SEQUENCE DTDRNLSVDV YYDPMGNPLD KGSDSVWNFH VWNEGWFVRS DLGPSYGGWQ DATA SEQUENCE VLDATPQERS QGVFQCGPAS VIGVREGDVQ LNFDMPFIFA EVNADRITWL DATA SEQUENCE YDNTTGKQWK NSVNSHTIGR YISTKAVGSN ARMDVTDKYK YPEGSDQERQ DATA SEQUENCE VFQKALGKLX XXXXXXXXXX XXLETEEQEP SIIGKLKVAG MLAVGKEVNL DATA SEQUENCE VLLLKNLSRD TKTVTVNMTA WTIIYNGTLV HEVWKDSATM SLDPEEEAEH DATA SEQUENCE PIKISYAQYE RYLKSDNMIR ITAVCKVPDE SEVVVERDII LDNPTLTLEV DATA SEQUENCE LNEARVRKPV NVQMLFSNPL DEPVRDCVLM VEGSGLLLGN LKIDVPTLGP DATA SEQUENCE KERSRVRFDI LPSRSGTKQL LADFSCNKFP AIKAMLSIDV AE 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.576 177.584 -0.013 0.000 1.274 1 A CA 0.000 52.030 52.037 -0.012 0.000 0.836 1 A CB 0.000 18.993 19.000 -0.012 0.000 0.831 2 A N 1.521 124.332 122.820 -0.016 0.000 2.371 2 A HA 0.621 4.940 4.320 -0.002 0.000 0.257 2 A C 0.288 177.859 177.584 -0.023 0.000 1.089 2 A CA -0.310 51.716 52.037 -0.018 0.000 0.794 2 A CB 0.199 19.184 19.000 -0.025 0.000 1.029 2 A HN 2.042 nan 8.150 nan 0.000 0.488 3 L N 1.783 122.993 121.223 -0.021 0.000 2.525 3 L HA 0.484 4.823 4.340 -0.002 0.000 0.278 3 L C 0.551 177.396 176.870 -0.042 0.000 1.218 3 L CA 1.543 56.367 54.840 -0.027 0.000 0.878 3 L CB 0.255 42.302 42.059 -0.020 0.000 1.127 3 L HN 0.885 nan 8.230 nan 0.000 0.492 4 G N 3.731 112.505 108.800 -0.044 0.000 2.698 4 G HA2 0.546 4.505 3.960 -0.002 0.000 0.293 4 G HA3 0.546 4.505 3.960 -0.002 0.000 0.293 4 G C -1.785 173.083 174.900 -0.053 0.000 1.437 4 G CA -0.657 44.411 45.100 -0.053 0.000 0.852 4 G HN 0.535 nan 8.290 nan 0.000 0.499 5 V N 1.103 120.980 119.914 -0.061 0.000 2.546 5 V HA 0.258 4.376 4.120 -0.002 0.000 0.284 5 V C 0.850 176.918 176.094 -0.045 0.000 1.050 5 V CA -0.154 62.111 62.300 -0.059 0.000 0.981 5 V CB 1.394 33.172 31.823 -0.074 0.000 0.990 5 V HN 0.901 nan 8.190 nan 0.000 0.474 6 Q N 2.302 122.078 119.800 -0.041 0.000 2.304 6 Q HA 0.189 4.528 4.340 -0.002 0.000 0.204 6 Q C 0.567 176.549 176.000 -0.029 0.000 0.936 6 Q CA 0.850 56.635 55.803 -0.030 0.000 0.878 6 Q CB 0.893 29.615 28.738 -0.026 0.000 0.983 6 Q HN 0.897 nan 8.270 nan 0.000 0.516 7 S N -0.839 114.835 115.700 -0.043 0.000 2.587 7 S HA 0.606 5.075 4.470 -0.002 0.000 0.269 7 S C -1.383 173.159 174.600 -0.098 0.000 1.154 7 S CA -0.969 57.202 58.200 -0.049 0.000 0.824 7 S CB 1.636 64.817 63.200 -0.032 0.000 1.118 7 S HN 0.229 nan 8.310 nan 0.000 0.462 8 I N 1.527 122.012 120.570 -0.142 0.000 2.582 8 I HA 0.551 4.719 4.170 -0.002 0.000 0.292 8 I C -1.588 174.335 176.117 -0.323 0.000 1.066 8 I CA -0.634 60.485 61.300 -0.303 0.000 1.053 8 I CB 1.966 39.653 38.000 -0.523 0.000 1.241 8 I HN 0.821 nan 8.210 nan 0.000 0.421 9 N N 6.284 124.801 118.700 -0.306 0.000 2.518 9 N HA 0.210 4.949 4.740 -0.002 0.000 0.254 9 N C -0.380 175.036 175.510 -0.158 0.000 0.979 9 N CA -0.392 52.565 53.050 -0.155 0.000 0.930 9 N CB 0.868 39.313 38.487 -0.070 0.000 1.152 9 N HN 0.665 nan 8.380 nan 0.000 0.505 10 W N 1.812 123.155 121.300 0.072 0.000 2.937 10 W HA 0.127 4.786 4.660 -0.002 0.000 0.245 10 W C 0.778 177.354 176.519 0.095 0.000 1.306 10 W CA -0.211 57.189 57.345 0.091 0.000 1.470 10 W CB -0.006 29.502 29.460 0.079 0.000 1.132 10 W HN 0.494 nan 8.180 nan 0.000 0.675 11 Q N -0.140 119.810 119.800 0.250 0.000 2.423 11 Q HA -0.264 4.075 4.340 -0.002 0.000 0.332 11 Q C 0.980 177.131 176.000 0.252 0.000 1.355 11 Q CA 0.810 56.738 55.803 0.209 0.000 0.947 11 Q CB -2.010 26.829 28.738 0.168 0.000 1.189 11 Q HN 0.275 nan 8.270 nan 0.000 0.418 12 T N -0.269 114.416 114.554 0.218 0.000 2.635 12 T HA -0.264 4.084 4.350 -0.002 0.000 0.267 12 T C 1.858 176.620 174.700 0.103 0.000 1.040 12 T CA 1.723 63.907 62.100 0.140 0.000 1.156 12 T CB -0.185 68.747 68.868 0.106 0.000 0.863 12 T HN 0.688 nan 8.240 nan 0.000 0.430 13 A N 1.026 123.915 122.820 0.115 0.000 1.883 13 A HA -0.084 4.235 4.320 -0.002 0.000 0.217 13 A C 2.069 179.712 177.584 0.098 0.000 1.186 13 A CA 1.813 53.904 52.037 0.090 0.000 0.624 13 A CB -1.100 17.956 19.000 0.093 0.000 0.822 13 A HN 0.517 nan 8.150 nan 0.000 0.444 14 F N 1.298 121.260 119.950 0.021 0.000 2.075 14 F HA -0.219 4.306 4.527 -0.002 0.000 0.297 14 F C 2.154 177.961 175.800 0.012 0.000 1.113 14 F CA 2.178 60.187 58.000 0.016 0.000 1.218 14 F CB -0.218 38.799 39.000 0.028 0.000 0.984 14 F HN 0.206 nan 8.300 nan 0.000 0.472 15 N N 0.626 119.360 118.700 0.056 0.000 2.188 15 N HA -0.136 4.603 4.740 -0.002 0.000 0.184 15 N C 1.927 177.328 175.510 -0.182 0.000 1.018 15 N CA 1.304 54.302 53.050 -0.087 0.000 0.858 15 N CB -0.412 38.079 38.487 0.007 0.000 0.989 15 N HN 0.404 nan 8.380 nan 0.000 0.426 16 R N 0.687 121.111 120.500 -0.126 0.000 2.115 16 R HA -0.016 4.323 4.340 -0.002 0.000 0.230 16 R C 2.032 178.245 176.300 -0.145 0.000 1.111 16 R CA 0.810 56.850 56.100 -0.100 0.000 0.976 16 R CB 0.003 30.284 30.300 -0.032 0.000 0.870 16 R HN 0.266 nan 8.270 nan 0.000 0.445 17 Q N 0.305 119.987 119.800 -0.197 0.000 2.050 17 Q HA -0.071 4.268 4.340 -0.002 0.000 0.202 17 Q C 2.150 177.892 176.000 -0.431 0.000 0.980 17 Q CA 1.797 57.446 55.803 -0.257 0.000 0.840 17 Q CB -0.433 28.171 28.738 -0.224 0.000 0.898 17 Q HN 0.327 nan 8.270 nan 0.000 0.424 18 A N 0.714 123.255 122.820 -0.465 0.000 2.015 18 A HA -0.151 4.168 4.320 -0.002 0.000 0.219 18 A C 1.621 178.829 177.584 -0.626 0.000 1.163 18 A CA 1.054 52.782 52.037 -0.515 0.000 0.646 18 A CB -0.622 18.122 19.000 -0.426 0.000 0.806 18 A HN 0.415 nan 8.150 nan 0.000 0.448 19 H N -1.617 117.128 119.070 -0.542 0.000 2.539 19 H HA 0.039 4.594 4.556 -0.002 0.000 0.269 19 H C -0.360 174.689 175.328 -0.465 0.000 0.980 19 H CA 0.379 56.179 56.048 -0.412 0.000 1.152 19 H CB 0.057 29.700 29.762 -0.199 0.000 1.407 19 H HN 0.663 nan 8.280 nan 0.000 0.564 20 H N 0.121 118.987 119.070 -0.339 0.000 2.770 20 H HA -0.119 4.435 4.556 -0.002 0.000 0.309 20 H C 0.818 176.069 175.328 -0.128 0.000 1.206 20 H CA 1.167 56.961 56.048 -0.424 0.000 1.147 20 H CB -2.235 26.804 29.762 -1.205 0.000 1.422 20 H HN 0.519 nan 8.280 nan 0.000 0.420 21 T N -3.437 111.156 114.554 0.065 0.000 3.091 21 T HA 0.008 4.357 4.350 -0.002 0.000 0.277 21 T C 1.297 176.138 174.700 0.234 0.000 0.996 21 T CA 0.200 62.482 62.100 0.303 0.000 0.897 21 T CB 0.465 69.515 68.868 0.304 0.000 1.109 21 T HN 0.401 nan 8.240 nan 0.000 0.534 22 D N 2.123 122.541 120.400 0.030 0.000 2.310 22 D HA -0.132 4.507 4.640 -0.002 0.000 0.212 22 D C 1.548 177.800 176.300 -0.079 0.000 0.965 22 D CA 0.544 54.535 54.000 -0.014 0.000 0.879 22 D CB -0.021 40.739 40.800 -0.066 0.000 0.921 22 D HN 0.371 nan 8.370 nan 0.000 0.510 23 K N -0.115 120.122 120.400 -0.272 0.000 2.288 23 K HA 0.013 4.332 4.320 -0.002 0.000 0.201 23 K C 0.461 176.849 176.600 -0.354 0.000 1.048 23 K CA 0.013 55.963 56.287 -0.562 0.000 0.956 23 K CB -0.129 31.548 32.500 -1.371 0.000 0.746 23 K HN 0.166 nan 8.250 nan 0.000 0.461 24 F N 2.386 122.372 119.950 0.059 0.000 2.578 24 F HA -0.067 4.459 4.527 -0.002 0.000 0.376 24 F C 1.134 177.005 175.800 0.119 0.000 1.085 24 F CA -0.260 57.877 58.000 0.228 0.000 1.260 24 F CB 0.313 39.446 39.000 0.222 0.000 1.095 24 F HN -0.087 nan 8.300 nan 0.000 0.573 25 S N 2.111 117.997 115.700 0.310 0.000 2.701 25 S HA 0.481 4.949 4.470 -0.002 0.000 0.317 25 S C -0.210 174.495 174.600 0.176 0.000 1.149 25 S CA -0.431 57.881 58.200 0.186 0.000 1.052 25 S CB 0.649 63.940 63.200 0.151 0.000 1.257 25 S HN 0.646 nan 8.310 nan 0.000 0.532 26 S N 2.163 117.950 115.700 0.146 0.000 2.552 26 S HA 0.343 4.812 4.470 -0.002 0.000 0.272 26 S C -0.243 174.398 174.600 0.069 0.000 1.150 26 S CA -0.673 57.585 58.200 0.097 0.000 0.849 26 S CB 1.405 64.657 63.200 0.087 0.000 1.113 26 S HN 0.651 nan 8.310 nan 0.000 0.458 27 Q N 0.657 120.482 119.800 0.041 0.000 2.356 27 Q HA 0.211 4.550 4.340 -0.002 0.000 0.205 27 Q C -0.147 175.857 176.000 0.007 0.000 0.901 27 Q CA 0.134 55.955 55.803 0.031 0.000 0.938 27 Q CB 0.389 29.145 28.738 0.030 0.000 1.081 27 Q HN 0.653 nan 8.270 nan 0.000 0.517 28 E N 0.861 121.054 120.200 -0.012 0.000 2.392 28 E HA 0.098 4.447 4.350 -0.002 0.000 0.256 28 E C -0.735 175.822 176.600 -0.071 0.000 1.145 28 E CA -0.350 56.016 56.400 -0.056 0.000 0.929 28 E CB 0.792 30.452 29.700 -0.067 0.000 0.998 28 E HN -0.045 nan 8.360 nan 0.000 0.442 29 L N 3.120 124.263 121.223 -0.133 0.000 2.283 29 L HA 0.268 4.606 4.340 -0.002 0.000 0.287 29 L C -1.006 175.783 176.870 -0.135 0.000 1.073 29 L CA 0.433 55.178 54.840 -0.159 0.000 0.822 29 L CB -0.011 41.874 42.059 -0.290 0.000 1.186 29 L HN 0.349 nan 8.230 nan 0.000 0.436 30 I N 6.654 127.154 120.570 -0.117 0.000 2.339 30 I HA 0.380 4.548 4.170 -0.002 0.000 0.290 30 I C -0.421 175.618 176.117 -0.130 0.000 0.994 30 I CA -0.394 60.847 61.300 -0.099 0.000 1.191 30 I CB 1.095 39.048 38.000 -0.080 0.000 1.343 30 I HN 0.530 nan 8.210 nan 0.000 0.458 31 L N 6.015 127.158 121.223 -0.133 0.000 2.283 31 L HA 0.663 5.002 4.340 -0.002 0.000 0.259 31 L C -0.310 176.626 176.870 0.109 0.000 1.027 31 L CA -0.984 53.758 54.840 -0.163 0.000 0.828 31 L CB 1.980 43.715 42.059 -0.540 0.000 1.380 31 L HN 0.488 nan 8.230 nan 0.000 0.425 32 R N 0.429 121.144 120.500 0.359 0.000 2.637 32 R HA 0.466 4.804 4.340 -0.002 0.000 0.291 32 R C -0.869 175.514 176.300 0.138 0.000 0.963 32 R CA -0.977 55.257 56.100 0.223 0.000 0.901 32 R CB 2.206 32.645 30.300 0.232 0.000 1.160 32 R HN 0.589 nan 8.270 nan 0.000 0.457 33 R N 0.228 120.766 120.500 0.063 0.000 2.734 33 R HA 0.209 4.547 4.340 -0.002 0.000 0.266 33 R C 0.472 176.755 176.300 -0.029 0.000 1.044 33 R CA 0.552 56.636 56.100 -0.027 0.000 1.128 33 R CB 0.129 30.404 30.300 -0.043 0.000 1.010 33 R HN 0.794 nan 8.270 nan 0.000 0.461 34 G N 0.128 108.852 108.800 -0.127 0.000 2.153 34 G HA2 -0.357 3.602 3.960 -0.002 0.000 0.252 34 G HA3 -0.357 3.602 3.960 -0.002 0.000 0.252 34 G C -0.142 174.711 174.900 -0.078 0.000 0.994 34 G CA 0.779 45.810 45.100 -0.114 0.000 0.698 34 G HN 0.778 nan 8.290 nan 0.000 0.521 35 Q N -0.064 119.707 119.800 -0.049 0.000 2.331 35 Q HA 0.483 4.822 4.340 -0.002 0.000 0.272 35 Q C 0.032 176.110 176.000 0.129 0.000 1.062 35 Q CA -0.752 55.025 55.803 -0.043 0.000 0.806 35 Q CB 1.075 29.659 28.738 -0.256 0.000 1.312 35 Q HN 0.435 nan 8.270 nan 0.000 0.431 36 N N 1.746 120.503 118.700 0.095 0.000 2.424 36 N HA 0.470 5.209 4.740 -0.002 0.000 0.257 36 N C -0.964 174.781 175.510 0.391 0.000 1.250 36 N CA -0.075 53.056 53.050 0.135 0.000 0.946 36 N CB 0.469 38.941 38.487 -0.025 0.000 1.175 36 N HN 0.404 nan 8.380 nan 0.000 0.477 37 F N -3.716 116.291 119.950 0.094 0.000 2.613 37 F HA 0.501 5.027 4.527 -0.002 0.000 0.310 37 F C -0.569 175.278 175.800 0.077 0.000 1.085 37 F CA -1.216 56.838 58.000 0.091 0.000 0.945 37 F CB 1.435 40.385 39.000 -0.083 0.000 1.298 37 F HN 0.530 nan 8.300 nan 0.000 0.455 38 Q N 2.354 122.291 119.800 0.228 0.000 2.316 38 Q HA 0.733 5.071 4.340 -0.002 0.000 0.264 38 Q C -1.422 174.640 176.000 0.104 0.000 0.987 38 Q CA -0.983 54.867 55.803 0.078 0.000 0.852 38 Q CB 2.376 31.168 28.738 0.089 0.000 1.287 38 Q HN 0.900 nan 8.270 nan 0.000 0.448 39 V N 1.417 121.326 119.914 -0.007 0.000 2.914 39 V HA 0.672 4.791 4.120 -0.002 0.000 0.314 39 V C -1.041 175.001 176.094 -0.086 0.000 1.084 39 V CA -1.014 61.268 62.300 -0.031 0.000 0.963 39 V CB 1.859 33.624 31.823 -0.098 0.000 1.025 39 V HN 0.735 nan 8.190 nan 0.000 0.432 40 L N 3.614 124.769 121.223 -0.114 0.000 2.325 40 L HA 0.648 4.987 4.340 -0.002 0.000 0.281 40 L C -0.420 176.374 176.870 -0.127 0.000 1.004 40 L CA -0.365 54.415 54.840 -0.099 0.000 0.823 40 L CB 1.764 43.773 42.059 -0.084 0.000 1.236 40 L HN 0.691 nan 8.230 nan 0.000 0.415 41 M N 4.759 124.305 119.600 -0.090 0.000 2.078 41 M HA 0.497 4.976 4.480 -0.002 0.000 0.320 41 M C -0.932 175.330 176.300 -0.063 0.000 0.969 41 M CA -0.399 54.847 55.300 -0.090 0.000 0.929 41 M CB 1.444 34.012 32.600 -0.053 0.000 1.504 41 M HN 0.486 nan 8.290 nan 0.000 0.419 42 I N 6.211 126.741 120.570 -0.066 0.000 2.312 42 I HA 0.197 4.366 4.170 -0.002 0.000 0.291 42 I C -0.063 176.027 176.117 -0.044 0.000 1.031 42 I CA -0.457 60.814 61.300 -0.048 0.000 1.293 42 I CB 0.827 38.801 38.000 -0.043 0.000 1.403 42 I HN 0.624 nan 8.210 nan 0.000 0.484 43 M N 5.167 124.744 119.600 -0.037 0.000 2.363 43 M HA 0.206 4.684 4.480 -0.002 0.000 0.280 43 M C 1.221 177.504 176.300 -0.029 0.000 1.182 43 M CA -0.472 54.807 55.300 -0.036 0.000 0.974 43 M CB 0.300 32.880 32.600 -0.033 0.000 1.452 43 M HN 0.531 nan 8.290 nan 0.000 0.507 44 N N 0.496 119.179 118.700 -0.028 0.000 2.422 44 N HA -0.026 4.713 4.740 -0.002 0.000 0.181 44 N C -0.198 175.301 175.510 -0.019 0.000 1.080 44 N CA 0.451 53.488 53.050 -0.022 0.000 0.893 44 N CB 0.389 38.863 38.487 -0.023 0.000 0.973 44 N HN 0.749 nan 8.380 nan 0.000 0.456 45 K N -2.429 117.960 120.400 -0.019 0.000 2.499 45 K HA 0.564 4.883 4.320 -0.002 0.000 0.284 45 K C -0.464 176.128 176.600 -0.014 0.000 1.039 45 K CA -0.961 55.317 56.287 -0.015 0.000 0.873 45 K CB 0.320 32.812 32.500 -0.013 0.000 1.545 45 K HN -0.132 nan 8.250 nan 0.000 0.402 46 G N 0.704 109.498 108.800 -0.010 0.000 2.444 46 G HA2 0.385 4.344 3.960 -0.002 0.000 0.268 46 G HA3 0.385 4.344 3.960 -0.002 0.000 0.268 46 G C -0.711 174.186 174.900 -0.006 0.000 1.203 46 G CA -0.651 44.444 45.100 -0.008 0.000 0.835 46 G HN 0.447 nan 8.290 nan 0.000 0.543 47 L N 2.285 123.506 121.223 -0.004 0.000 2.513 47 L HA 0.487 4.826 4.340 -0.002 0.000 0.272 47 L C 0.930 177.801 176.870 0.002 0.000 1.187 47 L CA 0.079 54.919 54.840 -0.000 0.000 0.895 47 L CB 0.264 42.325 42.059 0.004 0.000 1.147 47 L HN 0.495 nan 8.230 nan 0.000 0.483 48 G N 2.501 111.304 108.800 0.004 0.000 2.400 48 G HA2 0.295 4.254 3.960 -0.002 0.000 0.301 48 G HA3 0.295 4.254 3.960 -0.002 0.000 0.301 48 G C 0.655 175.558 174.900 0.006 0.000 1.154 48 G CA 0.114 45.217 45.100 0.005 0.000 0.852 48 G HN 0.799 nan 8.290 nan 0.000 0.511 49 S N 0.881 116.583 115.700 0.003 0.000 2.440 49 S HA -0.176 4.292 4.470 -0.002 0.000 0.238 49 S C 1.870 176.469 174.600 -0.001 0.000 1.010 49 S CA 1.726 59.926 58.200 0.001 0.000 0.972 49 S CB -0.139 63.061 63.200 -0.000 0.000 0.774 49 S HN 0.636 nan 8.310 nan 0.000 0.501 50 N N 0.557 119.258 118.700 0.002 0.000 2.236 50 N HA 0.158 4.896 4.740 -0.002 0.000 0.196 50 N C -0.210 175.307 175.510 0.011 0.000 1.114 50 N CA -0.082 52.968 53.050 0.001 0.000 0.859 50 N CB 0.410 38.900 38.487 0.005 0.000 0.982 50 N HN 0.492 nan 8.380 nan 0.000 0.493 51 E N -0.082 120.130 120.200 0.019 0.000 2.239 51 E HA 0.407 4.756 4.350 -0.002 0.000 0.261 51 E C -0.528 176.097 176.600 0.041 0.000 1.016 51 E CA -0.788 55.639 56.400 0.045 0.000 0.882 51 E CB 1.964 31.687 29.700 0.039 0.000 1.190 51 E HN 0.047 nan 8.360 nan 0.000 0.415 52 R N 1.240 121.797 120.500 0.096 0.000 2.604 52 R HA 0.391 4.730 4.340 -0.002 0.000 0.270 52 R C -1.843 174.552 176.300 0.158 0.000 1.052 52 R CA -0.490 55.657 56.100 0.079 0.000 0.902 52 R CB 1.025 31.290 30.300 -0.058 0.000 1.233 52 R HN 0.445 nan 8.270 nan 0.000 0.455 53 L N 3.097 124.359 121.223 0.065 0.000 2.329 53 L HA 0.551 4.889 4.340 -0.002 0.000 0.279 53 L C -0.421 176.419 176.870 -0.049 0.000 1.014 53 L CA -0.919 53.898 54.840 -0.037 0.000 0.814 53 L CB 2.022 43.998 42.059 -0.139 0.000 1.257 53 L HN 0.563 nan 8.230 nan 0.000 0.424 54 E N 2.974 123.095 120.200 -0.132 0.000 2.216 54 E HA 0.393 4.742 4.350 -0.002 0.000 0.260 54 E C -1.276 175.106 176.600 -0.363 0.000 0.880 54 E CA -0.471 55.859 56.400 -0.116 0.000 0.765 54 E CB 2.371 32.110 29.700 0.065 0.000 1.174 54 E HN 0.228 nan 8.360 nan 0.000 0.417 55 F N 2.234 121.902 119.950 -0.471 0.000 2.384 55 F HA 0.410 4.936 4.527 -0.002 0.000 0.338 55 F C 0.730 176.170 175.800 -0.599 0.000 1.103 55 F CA -0.354 57.267 58.000 -0.632 0.000 1.157 55 F CB 0.835 39.192 39.000 -1.072 0.000 1.167 55 F HN 0.255 nan 8.300 nan 0.000 0.529 56 I N 3.905 124.411 120.570 -0.107 0.000 2.468 56 I HA 0.393 4.562 4.170 -0.002 0.000 0.285 56 I C -1.106 175.067 176.117 0.094 0.000 1.039 56 I CA -0.988 60.305 61.300 -0.011 0.000 1.074 56 I CB 1.746 39.740 38.000 -0.011 0.000 1.228 56 I HN 0.312 nan 8.210 nan 0.000 0.436 57 V N 2.148 122.114 119.914 0.086 0.000 2.628 57 V HA 0.857 4.976 4.120 -0.002 0.000 0.306 57 V C -0.243 175.875 176.094 0.040 0.000 1.045 57 V CA -0.199 62.156 62.300 0.091 0.000 0.905 57 V CB 1.735 33.471 31.823 -0.145 0.000 0.997 57 V HN 0.701 nan 8.190 nan 0.000 0.436 58 S N 2.074 117.799 115.700 0.042 0.000 2.556 58 S HA 0.818 5.287 4.470 -0.002 0.000 0.271 58 S C -0.519 173.873 174.600 -0.347 0.000 1.135 58 S CA -0.621 57.519 58.200 -0.101 0.000 0.858 58 S CB 2.017 65.176 63.200 -0.068 0.000 1.114 58 S HN 1.226 nan 8.310 nan 0.000 0.468 59 T N 0.596 114.881 114.554 -0.448 0.000 2.956 59 T HA 0.713 5.062 4.350 -0.002 0.000 0.312 59 T C -0.117 174.416 174.700 -0.277 0.000 1.151 59 T CA 0.834 62.590 62.100 -0.573 0.000 1.024 59 T CB 0.842 69.042 68.868 -1.113 0.000 1.140 59 T HN 1.870 nan 8.240 nan 0.000 0.473 60 G N 4.636 113.321 108.800 -0.192 0.000 2.795 60 G HA2 -0.081 3.877 3.960 -0.002 0.000 0.664 60 G HA3 -0.081 3.877 3.960 -0.002 0.000 0.664 60 G C -1.873 172.964 174.900 -0.104 0.000 1.381 60 G CA -0.155 44.908 45.100 -0.060 0.000 0.853 60 G HN 0.668 nan 8.290 nan 0.000 0.545 61 P HA 0.114 nan 4.420 nan 0.000 0.236 61 P C -0.142 176.738 177.300 -0.698 0.000 1.177 61 P CA 1.160 64.000 63.100 -0.434 0.000 0.773 61 P CB 0.138 31.512 31.700 -0.543 0.000 0.878 62 Y N -0.072 120.210 120.300 -0.031 0.000 2.477 62 Y HA 0.392 4.940 4.550 -0.002 0.000 0.340 62 Y C -2.391 173.489 175.900 -0.033 0.000 0.987 62 Y CA -3.096 54.983 58.100 -0.035 0.000 1.127 62 Y CB -0.063 38.370 38.460 -0.045 0.000 1.139 62 Y HN -0.081 nan 8.280 nan 0.000 0.637 63 P HA -0.032 nan 4.420 nan 0.000 0.258 63 P C 0.006 177.337 177.300 0.051 0.000 1.172 63 P CA 0.678 63.788 63.100 0.017 0.000 0.762 63 P CB 0.733 32.423 31.700 -0.017 0.000 0.764 64 S N 2.334 118.064 115.700 0.051 0.000 2.647 64 S HA 0.251 4.720 4.470 -0.002 0.000 0.300 64 S C 0.882 175.519 174.600 0.062 0.000 1.129 64 S CA -0.597 57.636 58.200 0.055 0.000 1.029 64 S CB 0.889 64.118 63.200 0.050 0.000 1.007 64 S HN 0.213 nan 8.310 nan 0.000 0.484 65 E N 2.455 122.694 120.200 0.065 0.000 2.077 65 E HA -0.070 4.278 4.350 -0.002 0.000 0.193 65 E C 1.852 178.502 176.600 0.083 0.000 0.989 65 E CA 1.807 58.257 56.400 0.083 0.000 0.800 65 E CB -0.072 29.678 29.700 0.082 0.000 0.746 65 E HN 0.631 nan 8.360 nan 0.000 0.452 66 S N 0.258 115.996 115.700 0.062 0.000 2.399 66 S HA -0.114 4.354 4.470 -0.002 0.000 0.231 66 S C 1.899 176.531 174.600 0.053 0.000 1.022 66 S CA 1.003 59.235 58.200 0.054 0.000 0.983 66 S CB -0.107 63.114 63.200 0.036 0.000 0.803 66 S HN 0.389 nan 8.310 nan 0.000 0.480 67 A N 0.385 123.236 122.820 0.052 0.000 2.275 67 A HA 0.430 4.748 4.320 -0.002 0.000 0.212 67 A C 0.945 178.573 177.584 0.074 0.000 1.201 67 A CA 0.044 52.110 52.037 0.048 0.000 0.843 67 A CB -0.544 18.476 19.000 0.033 0.000 0.873 67 A HN 0.395 nan 8.150 nan 0.000 0.492 68 M N -0.967 118.695 119.600 0.103 0.000 2.818 68 M HA -0.174 4.305 4.480 -0.002 0.000 0.204 68 M C 0.874 177.281 176.300 0.178 0.000 0.552 68 M CA 1.238 56.634 55.300 0.161 0.000 0.687 68 M CB -2.555 30.149 32.600 0.173 0.000 2.512 68 M HN 0.629 nan 8.290 nan 0.000 0.563 69 T N -3.147 111.471 114.554 0.107 0.000 3.105 69 T HA 0.365 4.714 4.350 -0.002 0.000 0.253 69 T C 0.219 174.930 174.700 0.018 0.000 1.047 69 T CA -0.040 62.091 62.100 0.052 0.000 0.944 69 T CB 0.847 69.721 68.868 0.009 0.000 1.016 69 T HN 0.495 nan 8.240 nan 0.000 0.544 70 K N 0.320 120.757 120.400 0.062 0.000 2.542 70 K HA 0.680 4.998 4.320 -0.002 0.000 0.259 70 K C -2.174 174.459 176.600 0.056 0.000 0.932 70 K CA -0.760 55.548 56.287 0.035 0.000 0.820 70 K CB 2.255 34.775 32.500 0.033 0.000 1.345 70 K HN 0.154 nan 8.250 nan 0.000 0.432 71 A N 2.383 125.213 122.820 0.017 0.000 2.517 71 A HA 0.602 4.920 4.320 -0.002 0.000 0.297 71 A C -1.711 176.007 177.584 0.223 0.000 1.050 71 A CA -0.625 51.466 52.037 0.090 0.000 0.694 71 A CB 1.826 20.767 19.000 -0.099 0.000 1.277 71 A HN 0.290 nan 8.150 nan 0.000 0.400 72 V N 2.867 122.954 119.914 0.288 0.000 2.444 72 V HA 0.731 4.850 4.120 -0.002 0.000 0.294 72 V C -1.180 175.146 176.094 0.386 0.000 1.022 72 V CA -0.340 62.099 62.300 0.233 0.000 0.850 72 V CB 0.703 32.603 31.823 0.128 0.000 0.992 72 V HN 0.885 nan 8.190 nan 0.000 0.426 73 F N 4.922 124.979 119.950 0.179 0.000 2.569 73 F HA 0.900 5.426 4.527 -0.002 0.000 0.312 73 F C -3.015 172.928 175.800 0.238 0.000 1.109 73 F CA -3.221 54.898 58.000 0.197 0.000 0.919 73 F CB 1.760 40.894 39.000 0.223 0.000 1.211 73 F HN 0.262 nan 8.300 nan 0.000 0.446 74 P HA 0.236 nan 4.420 nan 0.000 0.281 74 P C -0.848 176.602 177.300 0.250 0.000 1.249 74 P CA -0.452 62.758 63.100 0.184 0.000 0.810 74 P CB 2.369 34.137 31.700 0.114 0.000 1.008 75 L N 2.031 123.395 121.223 0.235 0.000 2.433 75 L HA 0.122 4.460 4.340 -0.002 0.000 0.275 75 L C 0.281 177.234 176.870 0.140 0.000 1.128 75 L CA 0.548 55.532 54.840 0.240 0.000 0.875 75 L CB 0.157 42.362 42.059 0.243 0.000 1.171 75 L HN 0.498 nan 8.230 nan 0.000 0.463 76 S N 3.374 119.146 115.700 0.119 0.000 2.801 76 S HA 0.317 4.786 4.470 -0.002 0.000 0.312 76 S C 0.689 175.320 174.600 0.052 0.000 1.112 76 S CA -0.723 57.523 58.200 0.077 0.000 0.943 76 S CB 1.452 64.698 63.200 0.077 0.000 1.269 76 S HN 0.701 nan 8.310 nan 0.000 0.558 77 N N 0.000 118.722 118.700 0.036 0.000 2.356 77 N HA 0.161 4.899 4.740 -0.002 0.000 0.178 77 N C 0.186 175.707 175.510 0.019 0.000 1.075 77 N CA 0.183 53.247 53.050 0.023 0.000 0.889 77 N CB 0.451 38.949 38.487 0.018 0.000 0.999 77 N HN 0.663 nan 8.380 nan 0.000 0.464 78 G N -0.667 108.147 108.800 0.023 0.000 2.642 78 G HA2 0.413 4.372 3.960 -0.002 0.000 0.293 78 G HA3 0.413 4.372 3.960 -0.002 0.000 0.293 78 G C -1.325 173.587 174.900 0.020 0.000 1.341 78 G CA -0.306 44.804 45.100 0.016 0.000 0.916 78 G HN 0.064 nan 8.290 nan 0.000 0.474 79 S N -1.127 114.577 115.700 0.006 0.000 2.652 79 S HA 0.773 5.242 4.470 -0.002 0.000 0.270 79 S C 0.777 175.378 174.600 0.002 0.000 1.243 79 S CA 0.333 58.532 58.200 -0.002 0.000 0.999 79 S CB 0.960 64.145 63.200 -0.025 0.000 0.973 79 S HN 1.432 nan 8.310 nan 0.000 0.544 80 S N 1.735 117.432 115.700 -0.005 0.000 3.132 80 S HA 0.755 5.224 4.470 -0.002 0.000 0.322 80 S C 1.042 175.627 174.600 -0.024 0.000 1.124 80 S CA -0.341 57.859 58.200 0.000 0.000 0.906 80 S CB 0.369 63.588 63.200 0.031 0.000 1.349 80 S HN 0.871 nan 8.310 nan 0.000 0.686 81 G N 0.718 109.511 108.800 -0.012 0.000 2.622 81 G HA2 0.319 4.278 3.960 -0.002 0.000 0.156 81 G HA3 0.319 4.278 3.960 -0.002 0.000 0.156 81 G C 1.109 175.966 174.900 -0.071 0.000 1.775 81 G CA 0.371 45.455 45.100 -0.028 0.000 0.928 81 G HN 1.078 nan 8.290 nan 0.000 0.384 82 G N -0.203 108.564 108.800 -0.056 0.000 2.470 82 G HA2 -0.029 3.930 3.960 -0.002 0.000 0.173 82 G HA3 -0.029 3.930 3.960 -0.002 0.000 0.173 82 G C -0.023 174.717 174.900 -0.268 0.000 1.515 82 G CA 0.367 45.388 45.100 -0.131 0.000 0.889 82 G HN 0.422 nan 8.290 nan 0.000 0.467 83 W N 1.101 122.236 121.300 -0.274 0.000 2.266 83 W HA 0.511 5.170 4.660 -0.002 0.000 0.317 83 W C 0.530 176.602 176.519 -0.746 0.000 1.310 83 W CA 0.113 57.058 57.345 -0.668 0.000 1.207 83 W CB 0.987 29.827 29.460 -1.034 0.000 1.199 83 W HN 0.548 nan 8.180 nan 0.000 0.544 84 S N 1.500 116.916 115.700 -0.474 0.000 2.579 84 S HA 0.923 5.391 4.470 -0.002 0.000 0.272 84 S C -1.116 173.525 174.600 0.067 0.000 1.141 84 S CA -1.194 56.947 58.200 -0.100 0.000 0.843 84 S CB 1.969 65.138 63.200 -0.052 0.000 1.122 84 S HN 0.857 nan 8.310 nan 0.000 0.468 85 A N 1.236 124.197 122.820 0.235 0.000 2.385 85 A HA 0.726 5.044 4.320 -0.002 0.000 0.290 85 A C -1.166 176.452 177.584 0.056 0.000 1.094 85 A CA -0.683 51.400 52.037 0.078 0.000 0.729 85 A CB 1.245 20.271 19.000 0.043 0.000 1.194 85 A HN 1.046 nan 8.150 nan 0.000 0.442 86 V N 3.079 122.983 119.914 -0.018 0.000 2.495 86 V HA 0.394 4.513 4.120 -0.002 0.000 0.298 86 V C -0.372 175.719 176.094 -0.005 0.000 1.031 86 V CA -0.617 61.684 62.300 0.002 0.000 0.871 86 V CB 1.572 33.386 31.823 -0.014 0.000 0.988 86 V HN 0.837 nan 8.190 nan 0.000 0.432 87 L N 4.957 126.192 121.223 0.020 0.000 2.325 87 L HA 0.316 4.655 4.340 -0.002 0.000 0.284 87 L C 1.105 177.975 176.870 0.000 0.000 1.089 87 L CA 0.868 55.717 54.840 0.016 0.000 0.836 87 L CB 0.833 42.910 42.059 0.031 0.000 1.184 87 L HN 0.740 nan 8.230 nan 0.000 0.444 88 Q N 4.135 123.928 119.800 -0.012 0.000 2.250 88 Q HA 0.411 4.750 4.340 -0.002 0.000 0.200 88 Q C 0.028 176.019 176.000 -0.014 0.000 0.941 88 Q CA 0.775 56.569 55.803 -0.015 0.000 0.872 88 Q CB 0.353 29.076 28.738 -0.024 0.000 0.965 88 Q HN 0.792 nan 8.270 nan 0.000 0.480 89 A N -0.041 122.770 122.820 -0.015 0.000 2.599 89 A HA 0.579 4.897 4.320 -0.002 0.000 0.294 89 A C -1.313 176.262 177.584 -0.014 0.000 1.055 89 A CA -0.642 51.386 52.037 -0.015 0.000 0.683 89 A CB 1.769 20.756 19.000 -0.022 0.000 1.278 89 A HN -0.036 nan 8.150 nan 0.000 0.412 90 S N 0.836 116.529 115.700 -0.012 0.000 2.605 90 S HA 0.594 5.062 4.470 -0.002 0.000 0.308 90 S C -0.845 173.746 174.600 -0.014 0.000 1.113 90 S CA -0.488 57.705 58.200 -0.011 0.000 1.049 90 S CB 0.912 64.108 63.200 -0.006 0.000 1.001 90 S HN 0.612 nan 8.310 nan 0.000 0.480 91 N N 1.656 120.345 118.700 -0.017 0.000 2.491 91 N HA 0.603 5.342 4.740 -0.002 0.000 0.274 91 N C 0.701 176.201 175.510 -0.017 0.000 1.023 91 N CA -0.097 52.942 53.050 -0.017 0.000 0.902 91 N CB 1.682 40.156 38.487 -0.021 0.000 1.267 91 N HN 0.755 nan 8.380 nan 0.000 0.503 92 G N 2.538 111.329 108.800 -0.014 0.000 2.602 92 G HA2 -0.401 3.558 3.960 -0.002 0.000 0.310 92 G HA3 -0.401 3.558 3.960 -0.002 0.000 0.310 92 G C 0.369 175.260 174.900 -0.014 0.000 1.183 92 G CA 0.228 45.320 45.100 -0.014 0.000 0.979 92 G HN 0.566 nan 8.290 nan 0.000 0.545 93 N N 1.399 120.089 118.700 -0.017 0.000 2.203 93 N HA 0.211 4.950 4.740 -0.002 0.000 0.207 93 N C 0.030 175.527 175.510 -0.022 0.000 1.130 93 N CA 0.794 53.833 53.050 -0.018 0.000 0.861 93 N CB 0.743 39.219 38.487 -0.019 0.000 1.005 93 N HN 0.491 nan 8.380 nan 0.000 0.507 94 T N 1.698 116.238 114.554 -0.024 0.000 2.767 94 T HA 0.461 4.809 4.350 -0.002 0.000 0.288 94 T C 0.313 174.997 174.700 -0.026 0.000 0.963 94 T CA -0.346 61.736 62.100 -0.029 0.000 1.019 94 T CB 1.302 70.150 68.868 -0.033 0.000 0.923 94 T HN -0.052 nan 8.240 nan 0.000 0.468 95 L N 3.293 124.501 121.223 -0.025 0.000 2.296 95 L HA 0.426 4.765 4.340 -0.002 0.000 0.286 95 L C 0.439 177.294 176.870 -0.025 0.000 1.023 95 L CA -0.805 54.026 54.840 -0.015 0.000 0.812 95 L CB 1.239 43.301 42.059 0.005 0.000 1.223 95 L HN 0.541 nan 8.230 nan 0.000 0.421 96 T N 4.785 119.322 114.554 -0.028 0.000 2.733 96 T HA 0.587 4.936 4.350 -0.002 0.000 0.294 96 T C -0.018 174.659 174.700 -0.038 0.000 0.956 96 T CA -0.077 61.997 62.100 -0.043 0.000 0.987 96 T CB 0.454 69.292 68.868 -0.049 0.000 0.920 96 T HN 0.280 nan 8.240 nan 0.000 0.470 97 I N 2.057 122.594 120.570 -0.054 0.000 2.509 97 I HA 0.440 4.608 4.170 -0.002 0.000 0.293 97 I C 0.163 176.193 176.117 -0.145 0.000 1.020 97 I CA -0.856 60.398 61.300 -0.078 0.000 1.088 97 I CB 2.165 40.128 38.000 -0.061 0.000 1.267 97 I HN 0.455 nan 8.210 nan 0.000 0.430 98 S N 6.682 122.288 115.700 -0.157 0.000 2.438 98 S HA 0.649 5.117 4.470 -0.002 0.000 0.316 98 S C -0.672 173.739 174.600 -0.315 0.000 1.084 98 S CA -0.481 57.596 58.200 -0.205 0.000 1.107 98 S CB 0.276 63.410 63.200 -0.110 0.000 0.981 98 S HN 0.411 nan 8.310 nan 0.000 0.466 99 I N 3.467 123.685 120.570 -0.587 0.000 2.460 99 I HA 0.498 4.666 4.170 -0.002 0.000 0.298 99 I C 0.234 175.993 176.117 -0.596 0.000 0.989 99 I CA -0.492 60.416 61.300 -0.653 0.000 1.173 99 I CB 2.084 39.515 38.000 -0.948 0.000 1.338 99 I HN 0.521 nan 8.210 nan 0.000 0.456 100 S N 3.077 118.591 115.700 -0.310 0.000 2.595 100 S HA 0.735 5.204 4.470 -0.002 0.000 0.281 100 S C -0.727 173.618 174.600 -0.425 0.000 1.117 100 S CA -0.507 57.552 58.200 -0.235 0.000 0.873 100 S CB 1.713 64.798 63.200 -0.192 0.000 1.108 100 S HN 0.715 nan 8.310 nan 0.000 0.477 101 S N 2.576 117.912 115.700 -0.606 0.000 2.638 101 S HA 0.791 5.260 4.470 -0.002 0.000 0.302 101 S C -3.121 171.011 174.600 -0.779 0.000 1.096 101 S CA -1.513 55.882 58.200 -1.342 0.000 0.953 101 S CB 1.620 63.852 63.200 -1.613 0.000 1.107 101 S HN 0.567 nan 8.310 nan 0.000 0.503 102 P HA 0.283 nan 4.420 nan 0.000 0.277 102 P C 0.440 177.606 177.300 -0.223 0.000 1.240 102 P CA -0.391 62.497 63.100 -0.354 0.000 0.798 102 P CB 0.965 32.522 31.700 -0.239 0.000 0.979 103 A N 2.441 125.192 122.820 -0.116 0.000 2.172 103 A HA -0.102 4.217 4.320 -0.002 0.000 0.216 103 A C 1.777 179.369 177.584 0.013 0.000 1.154 103 A CA 1.688 53.703 52.037 -0.036 0.000 0.701 103 A CB -1.192 17.802 19.000 -0.009 0.000 0.789 103 A HN 0.634 nan 8.150 nan 0.000 0.465 104 S N -0.952 114.749 115.700 0.001 0.000 2.572 104 S HA 0.584 5.053 4.470 -0.002 0.000 0.228 104 S C 0.747 175.387 174.600 0.067 0.000 0.963 104 S CA 0.196 58.426 58.200 0.049 0.000 0.939 104 S CB -0.449 62.780 63.200 0.047 0.000 0.804 104 S HN 0.765 nan 8.310 nan 0.000 0.480 105 A N 2.846 125.688 122.820 0.036 0.000 2.498 105 A HA 0.523 4.841 4.320 -0.002 0.000 0.239 105 A C -2.551 175.119 177.584 0.143 0.000 1.068 105 A CA -1.120 50.995 52.037 0.130 0.000 0.766 105 A CB -0.404 18.636 19.000 0.065 0.000 1.003 105 A HN 0.318 nan 8.150 nan 0.000 0.497 106 P HA 0.265 nan 4.420 nan 0.000 0.271 106 P C -0.101 177.293 177.300 0.156 0.000 1.216 106 P CA -0.074 63.111 63.100 0.141 0.000 0.776 106 P CB 0.520 32.305 31.700 0.141 0.000 0.881 107 I N -0.469 120.068 120.570 -0.055 0.000 2.834 107 I HA 0.840 5.009 4.170 -0.002 0.000 0.305 107 I C 0.658 176.799 176.117 0.040 0.000 1.008 107 I CA -0.240 61.011 61.300 -0.082 0.000 1.273 107 I CB 0.652 38.388 38.000 -0.439 0.000 1.432 107 I HN 0.609 nan 8.210 nan 0.000 0.557 108 G N 3.142 111.984 108.800 0.070 0.000 2.293 108 G HA2 0.039 3.998 3.960 -0.002 0.000 0.282 108 G HA3 0.039 3.998 3.960 -0.002 0.000 0.282 108 G C -1.126 173.793 174.900 0.032 0.000 1.299 108 G CA -1.097 44.010 45.100 0.012 0.000 1.018 108 G HN 0.813 nan 8.290 nan 0.000 0.478 109 R N -0.337 120.107 120.500 -0.092 0.000 2.308 109 R HA 0.580 4.919 4.340 -0.002 0.000 0.305 109 R C -1.092 175.044 176.300 -0.273 0.000 1.053 109 R CA -0.176 55.836 56.100 -0.147 0.000 0.957 109 R CB 0.819 31.027 30.300 -0.153 0.000 1.022 109 R HN 0.448 nan 8.270 nan 0.000 0.461 110 Y N -0.046 119.899 120.300 -0.592 0.000 2.549 110 Y HA 0.351 4.900 4.550 -0.002 0.000 0.339 110 Y C 0.432 175.981 175.900 -0.585 0.000 1.053 110 Y CA -0.563 57.113 58.100 -0.707 0.000 1.105 110 Y CB 2.540 40.197 38.460 -1.339 0.000 1.258 110 Y HN 0.421 nan 8.280 nan 0.000 0.478 111 T N 3.658 118.120 114.554 -0.153 0.000 2.856 111 T HA 0.536 4.885 4.350 -0.002 0.000 0.283 111 T C -1.017 173.780 174.700 0.162 0.000 1.008 111 T CA -0.706 61.386 62.100 -0.012 0.000 0.997 111 T CB 0.901 69.758 68.868 -0.019 0.000 0.992 111 T HN 0.542 nan 8.240 nan 0.000 0.454 112 M N 2.991 122.770 119.600 0.299 0.000 2.321 112 M HA 0.754 5.233 4.480 -0.002 0.000 0.315 112 M C -1.317 175.157 176.300 0.290 0.000 1.052 112 M CA -0.574 54.970 55.300 0.407 0.000 0.936 112 M CB 1.177 34.186 32.600 0.681 0.000 1.639 112 M HN 0.759 nan 8.290 nan 0.000 0.433 113 A N 3.850 126.782 122.820 0.186 0.000 2.485 113 A HA 0.922 5.241 4.320 -0.002 0.000 0.292 113 A C -2.161 175.407 177.584 -0.027 0.000 1.147 113 A CA -0.734 51.351 52.037 0.079 0.000 0.750 113 A CB 1.902 20.919 19.000 0.029 0.000 1.331 113 A HN 0.801 nan 8.150 nan 0.000 0.419 114 L N 0.071 121.224 121.223 -0.117 0.000 2.410 114 L HA 0.573 4.912 4.340 -0.002 0.000 0.270 114 L C -0.438 176.293 176.870 -0.232 0.000 0.983 114 L CA -0.056 54.614 54.840 -0.283 0.000 0.822 114 L CB 2.045 43.891 42.059 -0.355 0.000 1.285 114 L HN 0.826 nan 8.230 nan 0.000 0.409 115 Q N 4.735 124.383 119.800 -0.254 0.000 2.293 115 Q HA 0.645 4.984 4.340 -0.002 0.000 0.261 115 Q C -1.612 174.239 176.000 -0.248 0.000 0.960 115 Q CA -0.563 55.095 55.803 -0.242 0.000 0.882 115 Q CB 1.484 30.098 28.738 -0.207 0.000 1.275 115 Q HN 0.742 nan 8.270 nan 0.000 0.445 116 I N 3.908 124.305 120.570 -0.290 0.000 2.436 116 I HA 0.318 4.487 4.170 -0.002 0.000 0.289 116 I C -1.072 174.882 176.117 -0.272 0.000 1.010 116 I CA -0.745 60.440 61.300 -0.192 0.000 1.098 116 I CB 1.318 39.235 38.000 -0.138 0.000 1.266 116 I HN 0.593 nan 8.210 nan 0.000 0.434 117 F N 4.745 124.656 119.950 -0.064 0.000 2.313 117 F HA 0.463 4.989 4.527 -0.002 0.000 0.369 117 F C 0.548 176.325 175.800 -0.038 0.000 1.109 117 F CA -0.200 57.773 58.000 -0.044 0.000 1.132 117 F CB 1.330 40.308 39.000 -0.036 0.000 1.291 117 F HN 0.336 nan 8.300 nan 0.000 0.496 118 S N 2.434 118.181 115.700 0.079 0.000 2.536 118 S HA 0.339 4.807 4.470 -0.002 0.000 0.271 118 S C -0.614 174.002 174.600 0.026 0.000 1.134 118 S CA -0.611 57.617 58.200 0.047 0.000 0.897 118 S CB 1.086 64.293 63.200 0.012 0.000 1.094 118 S HN 0.582 nan 8.310 nan 0.000 0.473 119 Q N 1.659 121.474 119.800 0.026 0.000 2.475 119 Q HA -0.201 4.138 4.340 -0.002 0.000 0.280 119 Q C 0.894 176.906 176.000 0.020 0.000 1.234 119 Q CA 1.426 57.239 55.803 0.016 0.000 0.873 119 Q CB -2.218 26.521 28.738 0.003 0.000 1.256 119 Q HN 1.950 nan 8.270 nan 0.000 0.475 120 G N -2.178 106.645 108.800 0.039 0.000 2.168 120 G HA2 -0.257 3.702 3.960 -0.002 0.000 0.263 120 G HA3 -0.257 3.702 3.960 -0.002 0.000 0.263 120 G C 0.430 175.353 174.900 0.038 0.000 0.977 120 G CA 0.742 45.868 45.100 0.043 0.000 0.659 120 G HN 1.033 nan 8.290 nan 0.000 0.533 121 G N -1.157 107.656 108.800 0.021 0.000 3.013 121 G HA2 0.796 4.755 3.960 -0.002 0.000 0.278 121 G HA3 0.796 4.755 3.960 -0.002 0.000 0.278 121 G C -0.826 174.026 174.900 -0.080 0.000 1.353 121 G CA -0.985 44.103 45.100 -0.020 0.000 1.043 121 G HN 0.700 nan 8.290 nan 0.000 0.523 122 I N 0.633 121.109 120.570 -0.156 0.000 2.619 122 I HA 0.452 4.621 4.170 -0.002 0.000 0.292 122 I C -0.247 175.727 176.117 -0.240 0.000 1.100 122 I CA -0.749 60.355 61.300 -0.325 0.000 1.043 122 I CB 2.534 40.270 38.000 -0.440 0.000 1.239 122 I HN 0.623 nan 8.210 nan 0.000 0.420 123 S N 3.156 118.703 115.700 -0.255 0.000 2.599 123 S HA 0.811 5.280 4.470 -0.002 0.000 0.287 123 S C -0.847 173.638 174.600 -0.191 0.000 1.105 123 S CA -0.730 57.364 58.200 -0.176 0.000 0.899 123 S CB 2.245 65.368 63.200 -0.129 0.000 1.100 123 S HN 0.563 nan 8.310 nan 0.000 0.482 124 S N 0.065 115.681 115.700 -0.139 0.000 2.540 124 S HA 0.791 5.260 4.470 -0.002 0.000 0.275 124 S C -1.699 172.849 174.600 -0.087 0.000 1.123 124 S CA -0.528 57.596 58.200 -0.127 0.000 0.907 124 S CB 1.506 64.637 63.200 -0.116 0.000 1.081 124 S HN 1.484 nan 8.310 nan 0.000 0.476 125 V N 4.566 124.433 119.914 -0.078 0.000 2.969 125 V HA 0.564 4.683 4.120 -0.002 0.000 0.304 125 V C -0.906 175.181 176.094 -0.011 0.000 1.192 125 V CA -0.851 61.424 62.300 -0.042 0.000 0.962 125 V CB 2.023 33.820 31.823 -0.043 0.000 1.045 125 V HN 0.970 nan 8.190 nan 0.000 0.428 126 K N 4.864 125.276 120.400 0.021 0.000 2.322 126 K HA 0.392 4.710 4.320 -0.002 0.000 0.283 126 K C 0.264 176.934 176.600 0.118 0.000 1.042 126 K CA -0.297 56.031 56.287 0.069 0.000 0.958 126 K CB 1.089 33.627 32.500 0.063 0.000 0.984 126 K HN 0.770 nan 8.250 nan 0.000 0.473 127 L N 2.603 123.949 121.223 0.206 0.000 2.221 127 L HA 0.264 4.603 4.340 -0.002 0.000 0.202 127 L C 1.181 178.365 176.870 0.523 0.000 1.074 127 L CA 0.635 55.661 54.840 0.311 0.000 0.795 127 L CB 0.152 42.423 42.059 0.353 0.000 0.960 127 L HN 0.990 nan 8.230 nan 0.000 0.458 128 G N -0.805 108.289 108.800 0.489 0.000 2.323 128 G HA2 0.316 4.275 3.960 -0.002 0.000 0.291 128 G HA3 0.316 4.275 3.960 -0.002 0.000 0.291 128 G C -1.248 173.734 174.900 0.136 0.000 1.278 128 G CA 0.047 45.343 45.100 0.327 0.000 0.860 128 G HN 0.012 nan 8.290 nan 0.000 0.504 129 T N -1.978 112.541 114.554 -0.060 0.000 2.916 129 T HA 0.915 5.263 4.350 -0.002 0.000 0.292 129 T C -0.662 173.974 174.700 -0.107 0.000 1.064 129 T CA -0.252 61.803 62.100 -0.076 0.000 1.011 129 T CB 2.157 70.963 68.868 -0.102 0.000 1.152 129 T HN 1.979 nan 8.240 nan 0.000 0.510 130 F N -1.288 118.547 119.950 -0.192 0.000 2.779 130 F HA 0.818 5.344 4.527 -0.002 0.000 0.316 130 F C -2.089 173.652 175.800 -0.098 0.000 1.164 130 F CA -1.782 56.075 58.000 -0.238 0.000 0.924 130 F CB 0.954 39.745 39.000 -0.348 0.000 1.348 130 F HN 0.608 nan 8.300 nan 0.000 0.467 131 I N 2.757 123.355 120.570 0.048 0.000 2.433 131 I HA 0.445 4.614 4.170 -0.002 0.000 0.292 131 I C -1.182 174.994 176.117 0.098 0.000 1.001 131 I CA -0.854 60.444 61.300 -0.004 0.000 1.119 131 I CB 1.975 39.931 38.000 -0.074 0.000 1.289 131 I HN 0.515 nan 8.210 nan 0.000 0.438 132 L N 7.112 128.394 121.223 0.098 0.000 2.333 132 L HA 0.602 4.941 4.340 -0.002 0.000 0.280 132 L C -0.836 176.045 176.870 0.019 0.000 1.004 132 L CA -0.539 54.349 54.840 0.081 0.000 0.820 132 L CB 1.662 43.754 42.059 0.054 0.000 1.247 132 L HN 0.512 nan 8.230 nan 0.000 0.416 133 L N 2.215 123.451 121.223 0.021 0.000 2.271 133 L HA 0.535 4.873 4.340 -0.002 0.000 0.265 133 L C -0.587 176.291 176.870 0.013 0.000 1.013 133 L CA -0.916 53.928 54.840 0.006 0.000 0.820 133 L CB 1.494 43.636 42.059 0.139 0.000 1.352 133 L HN 0.261 nan 8.230 nan 0.000 0.443 134 F N 0.485 120.543 119.950 0.181 0.000 2.496 134 F HA 0.088 4.613 4.527 -0.002 0.000 0.344 134 F C 0.872 176.823 175.800 0.251 0.000 1.155 134 F CA 0.158 58.269 58.000 0.186 0.000 1.302 134 F CB 0.146 39.247 39.000 0.169 0.000 1.159 134 F HN 0.342 nan 8.300 nan 0.000 0.595 135 N N 3.294 122.267 118.700 0.456 0.000 2.776 135 N HA 0.299 5.037 4.740 -0.002 0.000 0.245 135 N C -2.295 173.490 175.510 0.459 0.000 1.121 135 N CA -2.109 51.213 53.050 0.454 0.000 0.852 135 N CB 1.012 39.690 38.487 0.319 0.000 1.142 135 N HN 0.083 nan 8.380 nan 0.000 0.514 136 P HA -0.009 nan 4.420 nan 0.000 0.228 136 P C 0.984 178.340 177.300 0.094 0.000 1.151 136 P CA 0.797 63.969 63.100 0.120 0.000 0.770 136 P CB 0.136 31.710 31.700 -0.209 0.000 0.786 137 W N -1.293 120.127 121.300 0.200 0.000 2.863 137 W HA 0.185 4.843 4.660 -0.002 0.000 0.258 137 W C 0.565 177.286 176.519 0.336 0.000 1.298 137 W CA -0.012 57.458 57.345 0.207 0.000 1.451 137 W CB 0.083 29.580 29.460 0.062 0.000 1.107 137 W HN -0.056 nan 8.180 nan 0.000 0.641 138 L N 2.717 124.234 121.223 0.490 0.000 2.260 138 L HA 0.048 4.386 4.340 -0.002 0.000 0.289 138 L C 1.525 178.322 176.870 -0.120 0.000 1.057 138 L CA 0.053 55.009 54.840 0.194 0.000 0.811 138 L CB 0.847 42.993 42.059 0.145 0.000 1.184 138 L HN 0.119 nan 8.230 nan 0.000 0.429 139 N N 2.740 121.046 118.700 -0.657 0.000 2.192 139 N HA -0.187 4.551 4.740 -0.002 0.000 0.188 139 N C 1.046 176.205 175.510 -0.585 0.000 1.013 139 N CA 1.348 53.569 53.050 -1.382 0.000 0.863 139 N CB -0.138 37.816 38.487 -0.889 0.000 0.990 139 N HN 0.534 nan 8.380 nan 0.000 0.430 140 V N -3.331 116.432 119.914 -0.251 0.000 3.649 140 V HA 0.096 4.215 4.120 -0.002 0.000 0.275 140 V C 0.453 176.548 176.094 0.002 0.000 1.281 140 V CA -0.013 62.227 62.300 -0.100 0.000 1.143 140 V CB -0.564 31.216 31.823 -0.071 0.000 0.892 140 V HN 0.120 nan 8.190 nan 0.000 0.441 141 D N 1.544 121.982 120.400 0.062 0.000 2.302 141 D HA 0.161 4.800 4.640 -0.002 0.000 0.248 141 D C 1.532 177.947 176.300 0.192 0.000 1.094 141 D CA 0.881 54.976 54.000 0.157 0.000 0.897 141 D CB 2.217 43.158 40.800 0.234 0.000 1.200 141 D HN 0.362 nan 8.370 nan 0.000 0.429 142 S N 1.551 117.353 115.700 0.169 0.000 2.442 142 S HA -0.167 4.301 4.470 -0.002 0.000 0.236 142 S C 1.746 176.446 174.600 0.168 0.000 1.007 142 S CA 1.128 59.412 58.200 0.140 0.000 0.965 142 S CB -0.523 62.734 63.200 0.094 0.000 0.773 142 S HN 0.452 nan 8.310 nan 0.000 0.504 143 V N -2.222 117.814 119.914 0.205 0.000 3.596 143 V HA 0.441 4.559 4.120 -0.002 0.000 0.289 143 V C 0.510 176.794 176.094 0.318 0.000 1.336 143 V CA -0.958 61.480 62.300 0.231 0.000 1.137 143 V CB -1.716 30.187 31.823 0.134 0.000 0.966 143 V HN 0.314 nan 8.190 nan 0.000 0.428 144 F N 2.611 122.663 119.950 0.170 0.000 2.623 144 F HA 0.313 4.838 4.527 -0.002 0.000 0.386 144 F C 0.136 176.055 175.800 0.198 0.000 1.068 144 F CA 0.103 58.188 58.000 0.141 0.000 1.265 144 F CB 0.451 39.519 39.000 0.114 0.000 1.026 144 F HN 0.284 nan 8.300 nan 0.000 0.568 145 M N 6.955 126.080 119.600 -0.791 0.000 2.035 145 M HA 0.333 4.812 4.480 -0.002 0.000 0.286 145 M C 0.615 176.212 176.300 -1.172 0.000 0.907 145 M CA -0.201 54.559 55.300 -0.899 0.000 0.935 145 M CB 1.227 33.348 32.600 -0.799 0.000 1.557 145 M HN 0.741 nan 8.290 nan 0.000 0.426 146 G N 3.293 111.337 108.800 -1.260 0.000 2.443 146 G HA2 -0.140 3.819 3.960 -0.002 0.000 0.219 146 G HA3 -0.140 3.819 3.960 -0.002 0.000 0.219 146 G C 0.555 175.265 174.900 -0.317 0.000 1.131 146 G CA 0.050 44.715 45.100 -0.726 0.000 0.775 146 G HN 0.695 nan 8.290 nan 0.000 0.547 147 N N -0.093 118.409 118.700 -0.329 0.000 2.458 147 N HA 0.038 4.776 4.740 -0.002 0.000 0.270 147 N C 1.017 176.407 175.510 -0.199 0.000 1.102 147 N CA -0.295 52.639 53.050 -0.194 0.000 0.967 147 N CB 1.001 39.379 38.487 -0.183 0.000 1.078 147 N HN 0.235 nan 8.380 nan 0.000 0.471 148 H N 4.508 123.479 119.070 -0.165 0.000 2.267 148 H HA -0.110 4.444 4.556 -0.002 0.000 0.297 148 H C 1.768 177.002 175.328 -0.156 0.000 1.080 148 H CA 2.813 58.776 56.048 -0.143 0.000 1.278 148 H CB -0.020 29.706 29.762 -0.060 0.000 1.365 148 H HN 0.731 nan 8.280 nan 0.000 0.489 149 A N 0.618 123.332 122.820 -0.176 0.000 1.883 149 A HA -0.236 4.082 4.320 -0.002 0.000 0.217 149 A C 2.285 179.669 177.584 -0.334 0.000 1.186 149 A CA 2.059 53.959 52.037 -0.228 0.000 0.624 149 A CB -0.628 18.318 19.000 -0.091 0.000 0.822 149 A HN 0.726 nan 8.150 nan 0.000 0.444 150 E N -1.008 119.003 120.200 -0.315 0.000 2.072 150 E HA -0.188 4.161 4.350 -0.002 0.000 0.191 150 E C 2.337 178.686 176.600 -0.418 0.000 0.985 150 E CA 1.064 57.227 56.400 -0.395 0.000 0.801 150 E CB -0.201 29.381 29.700 -0.197 0.000 0.750 150 E HN 0.582 nan 8.360 nan 0.000 0.452 151 R N 0.981 121.233 120.500 -0.413 0.000 2.081 151 R HA -0.175 4.163 4.340 -0.002 0.000 0.235 151 R C 1.952 178.021 176.300 -0.385 0.000 1.131 151 R CA 1.231 57.057 56.100 -0.457 0.000 0.960 151 R CB 0.073 29.966 30.300 -0.680 0.000 0.856 151 R HN 0.095 nan 8.270 nan 0.000 0.436 152 E N 0.473 120.427 120.200 -0.410 0.000 2.077 152 E HA -0.224 4.125 4.350 -0.002 0.000 0.193 152 E C 1.790 178.278 176.600 -0.187 0.000 0.989 152 E CA 1.370 57.609 56.400 -0.268 0.000 0.800 152 E CB -0.086 29.416 29.700 -0.330 0.000 0.746 152 E HN 0.394 nan 8.360 nan 0.000 0.452 153 E N -0.022 119.989 120.200 -0.315 0.000 2.072 153 E HA -0.147 4.201 4.350 -0.002 0.000 0.190 153 E C 1.446 177.913 176.600 -0.222 0.000 0.982 153 E CA 1.018 57.218 56.400 -0.334 0.000 0.803 153 E CB -0.230 29.093 29.700 -0.628 0.000 0.755 153 E HN 0.238 nan 8.360 nan 0.000 0.453 154 Y N -0.962 119.304 120.300 -0.058 0.000 2.511 154 Y HA 0.184 4.733 4.550 -0.002 0.000 0.279 154 Y C 1.549 177.423 175.900 -0.044 0.000 1.157 154 Y CA 0.110 58.194 58.100 -0.027 0.000 1.300 154 Y CB 0.456 38.941 38.460 0.041 0.000 1.052 154 Y HN -0.018 nan 8.280 nan 0.000 0.529 155 V N -1.756 118.196 119.914 0.062 0.000 3.103 155 V HA -0.010 4.108 4.120 -0.002 0.000 0.229 155 V C 1.593 177.785 176.094 0.163 0.000 1.304 155 V CA 0.422 62.772 62.300 0.084 0.000 1.298 155 V CB 0.195 32.022 31.823 0.007 0.000 1.093 155 V HN 0.025 nan 8.190 nan 0.000 0.489 156 Q N 0.403 120.311 119.800 0.180 0.000 2.424 156 Q HA 0.115 4.454 4.340 -0.002 0.000 0.204 156 Q C 0.670 176.874 176.000 0.340 0.000 0.933 156 Q CA 0.228 56.233 55.803 0.336 0.000 0.929 156 Q CB 0.307 29.193 28.738 0.247 0.000 1.037 156 Q HN 0.558 nan 8.270 nan 0.000 0.511 157 E N 2.662 122.976 120.200 0.191 0.000 2.259 157 E HA 0.008 4.356 4.350 -0.002 0.000 0.281 157 E C -0.194 176.565 176.600 0.264 0.000 1.037 157 E CA -0.095 56.430 56.400 0.208 0.000 0.854 157 E CB 0.644 30.426 29.700 0.136 0.000 1.051 157 E HN 0.070 nan 8.360 nan 0.000 0.409 158 D N 2.818 123.402 120.400 0.307 0.000 2.402 158 D HA 0.200 4.839 4.640 -0.002 0.000 0.216 158 D C -0.404 176.073 176.300 0.294 0.000 1.128 158 D CA -0.353 53.824 54.000 0.295 0.000 0.833 158 D CB 0.240 41.165 40.800 0.208 0.000 0.971 158 D HN 0.255 nan 8.370 nan 0.000 0.503 159 A N -0.125 122.845 122.820 0.250 0.000 2.343 159 A HA 0.776 5.094 4.320 -0.002 0.000 0.316 159 A C 0.131 177.753 177.584 0.063 0.000 1.104 159 A CA -0.262 51.812 52.037 0.060 0.000 0.768 159 A CB 1.801 20.828 19.000 0.044 0.000 1.213 159 A HN 0.231 nan 8.150 nan 0.000 0.456 160 G N 0.383 109.056 108.800 -0.211 0.000 2.798 160 G HA2 0.652 4.611 3.960 -0.002 0.000 0.286 160 G HA3 0.652 4.611 3.960 -0.002 0.000 0.286 160 G C -1.432 173.393 174.900 -0.124 0.000 1.389 160 G CA -0.532 44.512 45.100 -0.093 0.000 0.894 160 G HN 0.526 nan 8.290 nan 0.000 0.488 161 I N 0.608 121.132 120.570 -0.077 0.000 2.534 161 I HA 0.438 4.607 4.170 -0.002 0.000 0.288 161 I C -0.797 175.140 176.117 -0.301 0.000 1.077 161 I CA -0.552 60.611 61.300 -0.228 0.000 1.051 161 I CB 1.628 39.450 38.000 -0.297 0.000 1.234 161 I HN 0.314 nan 8.210 nan 0.000 0.425 162 I N 5.721 126.070 120.570 -0.368 0.000 2.389 162 I HA 0.357 4.526 4.170 -0.002 0.000 0.288 162 I C -0.586 175.214 176.117 -0.528 0.000 0.999 162 I CA -0.609 60.492 61.300 -0.332 0.000 1.129 162 I CB 1.589 39.473 38.000 -0.193 0.000 1.288 162 I HN 0.244 nan 8.210 nan 0.000 0.444 163 F N 6.196 126.038 119.950 -0.180 0.000 2.429 163 F HA 0.455 4.980 4.527 -0.002 0.000 0.348 163 F C 0.702 176.242 175.800 -0.433 0.000 1.109 163 F CA -0.136 57.746 58.000 -0.196 0.000 1.232 163 F CB 1.024 39.991 39.000 -0.054 0.000 1.157 163 F HN 0.223 nan 8.300 nan 0.000 0.564 164 V N -0.601 119.121 119.914 -0.319 0.000 3.247 164 V HA 1.035 5.154 4.120 -0.002 0.000 0.310 164 V C 0.263 176.180 176.094 -0.294 0.000 1.409 164 V CA -0.295 61.471 62.300 -0.890 0.000 1.013 164 V CB 0.894 32.169 31.823 -0.913 0.000 1.118 164 V HN 1.300 nan 8.190 nan 0.000 0.480 165 G N 0.566 109.230 108.800 -0.226 0.000 2.545 165 G HA2 0.212 4.171 3.960 -0.002 0.000 0.240 165 G HA3 0.212 4.171 3.960 -0.002 0.000 0.240 165 G C 0.090 175.253 174.900 0.438 0.000 1.172 165 G CA 0.589 45.774 45.100 0.142 0.000 0.949 165 G HN 2.618 nan 8.290 nan 0.000 0.574 166 S N -1.989 113.906 115.700 0.326 0.000 2.651 166 S HA 0.690 5.158 4.470 -0.002 0.000 0.279 166 S C 1.277 175.885 174.600 0.013 0.000 1.148 166 S CA 0.952 59.369 58.200 0.362 0.000 0.837 166 S CB 1.303 64.654 63.200 0.252 0.000 1.138 166 S HN 2.409 nan 8.310 nan 0.000 0.478 167 T N -0.557 114.032 114.554 0.057 0.000 2.929 167 T HA -0.075 4.274 4.350 -0.002 0.000 0.271 167 T C 0.966 175.617 174.700 -0.082 0.000 1.085 167 T CA 1.672 63.702 62.100 -0.116 0.000 1.125 167 T CB -1.074 67.887 68.868 0.155 0.000 0.874 167 T HN 0.701 nan 8.240 nan 0.000 0.494 168 N N 0.414 119.099 118.700 -0.025 0.000 2.392 168 N HA 0.145 4.883 4.740 -0.002 0.000 0.177 168 N C 0.782 176.243 175.510 -0.081 0.000 1.066 168 N CA -0.032 53.000 53.050 -0.029 0.000 0.895 168 N CB 0.269 38.770 38.487 0.023 0.000 0.988 168 N HN 0.312 nan 8.380 nan 0.000 0.457 169 R N 1.368 121.809 120.500 -0.100 0.000 2.985 169 R HA 0.262 4.600 4.340 -0.002 0.000 0.259 169 R C -1.660 174.572 176.300 -0.113 0.000 1.815 169 R CA -0.262 55.781 56.100 -0.096 0.000 1.278 169 R CB 0.137 30.418 30.300 -0.032 0.000 1.403 169 R HN -0.016 nan 8.270 nan 0.000 0.534 170 I N 3.253 123.693 120.570 -0.216 0.000 2.471 170 I HA 0.312 4.480 4.170 -0.002 0.000 0.286 170 I C 1.025 177.124 176.117 -0.030 0.000 1.079 170 I CA 0.179 61.370 61.300 -0.183 0.000 1.398 170 I CB 1.344 39.142 38.000 -0.336 0.000 1.403 170 I HN 0.671 nan 8.210 nan 0.000 0.530 171 G N 6.638 115.454 108.800 0.026 0.000 3.016 171 G HA2 0.899 4.858 3.960 -0.002 0.000 0.270 171 G HA3 0.899 4.858 3.960 -0.002 0.000 0.270 171 G C -0.835 174.052 174.900 -0.021 0.000 1.352 171 G CA -0.801 44.294 45.100 -0.007 0.000 1.060 171 G HN 0.616 nan 8.290 nan 0.000 0.538 172 M N -0.940 118.577 119.600 -0.138 0.000 2.520 172 M HA 0.728 5.206 4.480 -0.002 0.000 0.280 172 M C -1.494 174.643 176.300 -0.272 0.000 1.232 172 M CA -0.967 54.144 55.300 -0.315 0.000 0.892 172 M CB 2.335 34.656 32.600 -0.465 0.000 1.728 172 M HN 0.639 nan 8.290 nan 0.000 0.475 173 I N -0.721 119.667 120.570 -0.304 0.000 2.828 173 I HA 0.976 5.145 4.170 -0.002 0.000 0.302 173 I C -0.204 175.824 176.117 -0.148 0.000 1.101 173 I CA -0.922 60.264 61.300 -0.190 0.000 1.031 173 I CB 2.233 40.130 38.000 -0.171 0.000 1.231 173 I HN 0.845 nan 8.210 nan 0.000 0.427 174 G N 2.873 111.621 108.800 -0.087 0.000 2.448 174 G HA2 0.400 4.358 3.960 -0.002 0.000 0.285 174 G HA3 0.400 4.358 3.960 -0.002 0.000 0.285 174 G C -1.808 173.100 174.900 0.012 0.000 1.176 174 G CA -0.467 44.587 45.100 -0.077 0.000 0.852 174 G HN 0.765 nan 8.290 nan 0.000 0.530 175 W N 2.299 123.415 121.300 -0.306 0.000 3.097 175 W HA 0.327 4.986 4.660 -0.002 0.000 0.335 175 W C -1.252 174.961 176.519 -0.511 0.000 1.114 175 W CA -0.967 56.160 57.345 -0.363 0.000 1.231 175 W CB 2.113 31.319 29.460 -0.424 0.000 1.388 175 W HN 0.505 nan 8.180 nan 0.000 0.485 176 N N 4.559 122.848 118.700 -0.686 0.000 2.469 176 N HA 0.164 4.903 4.740 -0.002 0.000 0.239 176 N C 0.385 175.736 175.510 -0.265 0.000 1.053 176 N CA -0.056 52.748 53.050 -0.411 0.000 0.937 176 N CB -0.037 38.264 38.487 -0.311 0.000 1.163 176 N HN 0.325 nan 8.380 nan 0.000 0.509 177 F N 2.215 122.229 119.950 0.108 0.000 2.186 177 F HA 0.091 4.617 4.527 -0.002 0.000 0.299 177 F C 2.076 177.895 175.800 0.031 0.000 1.090 177 F CA 0.398 58.492 58.000 0.157 0.000 1.307 177 F CB -0.193 38.882 39.000 0.125 0.000 1.019 177 F HN 0.642 nan 8.300 nan 0.000 0.489 178 G N 1.359 110.255 108.800 0.161 0.000 2.379 178 G HA2 -0.354 3.604 3.960 -0.002 0.000 0.297 178 G HA3 -0.354 3.604 3.960 -0.002 0.000 0.297 178 G C 1.118 176.029 174.900 0.018 0.000 1.004 178 G CA 0.698 45.843 45.100 0.074 0.000 0.921 178 G HN 0.541 nan 8.290 nan 0.000 0.511 179 Q N -1.045 118.669 119.800 -0.142 0.000 2.439 179 Q HA -0.039 4.300 4.340 -0.002 0.000 0.211 179 Q C 1.581 177.488 176.000 -0.155 0.000 0.978 179 Q CA 1.376 57.062 55.803 -0.195 0.000 0.897 179 Q CB -0.259 28.267 28.738 -0.353 0.000 0.956 179 Q HN 0.604 nan 8.270 nan 0.000 0.483 180 F N 1.423 121.439 119.950 0.110 0.000 2.749 180 F HA 0.279 4.805 4.527 -0.002 0.000 0.300 180 F C 0.738 176.623 175.800 0.141 0.000 1.103 180 F CA -0.515 57.526 58.000 0.068 0.000 1.342 180 F CB 0.090 39.031 39.000 -0.099 0.000 1.098 180 F HN -0.116 nan 8.300 nan 0.000 0.586 181 E N 1.516 121.863 120.200 0.245 0.000 2.404 181 E HA -0.061 4.288 4.350 -0.002 0.000 0.261 181 E C 0.291 176.995 176.600 0.174 0.000 1.074 181 E CA -0.192 56.316 56.400 0.180 0.000 0.917 181 E CB 0.300 30.072 29.700 0.119 0.000 0.965 181 E HN 0.321 nan 8.360 nan 0.000 0.433 182 E N 1.214 121.495 120.200 0.136 0.000 2.708 182 E HA -0.228 4.120 4.350 -0.002 0.000 0.260 182 E C -0.141 176.520 176.600 0.101 0.000 0.937 182 E CA 0.527 56.995 56.400 0.114 0.000 0.953 182 E CB 0.172 29.921 29.700 0.081 0.000 0.915 182 E HN 0.470 nan 8.360 nan 0.000 0.487 183 D N 2.353 122.810 120.400 0.094 0.000 2.880 183 D HA -0.250 4.389 4.640 -0.002 0.000 0.198 183 D C 0.856 177.207 176.300 0.085 0.000 1.059 183 D CA 1.400 55.444 54.000 0.072 0.000 1.019 183 D CB -0.696 40.137 40.800 0.055 0.000 1.112 183 D HN 0.508 nan 8.370 nan 0.000 0.424 184 I N 0.126 120.765 120.570 0.115 0.000 2.179 184 I HA -0.192 3.977 4.170 -0.002 0.000 0.242 184 I C 2.604 178.787 176.117 0.111 0.000 1.088 184 I CA 1.042 62.413 61.300 0.119 0.000 1.357 184 I CB -1.115 36.965 38.000 0.133 0.000 1.051 184 I HN 0.262 nan 8.210 nan 0.000 0.409 185 L N 0.631 121.925 121.223 0.117 0.000 2.012 185 L HA -0.206 4.132 4.340 -0.002 0.000 0.210 185 L C 2.783 179.649 176.870 -0.007 0.000 1.073 185 L CA 2.161 57.015 54.840 0.022 0.000 0.748 185 L CB -0.922 41.023 42.059 -0.190 0.000 0.891 185 L HN 0.175 nan 8.230 nan 0.000 0.431 186 S N -0.641 115.058 115.700 -0.002 0.000 2.359 186 S HA -0.199 4.270 4.470 -0.002 0.000 0.224 186 S C 2.053 176.668 174.600 0.024 0.000 1.035 186 S CA 1.819 60.014 58.200 -0.008 0.000 1.018 186 S CB -0.494 62.702 63.200 -0.006 0.000 0.876 186 S HN 0.511 nan 8.310 nan 0.000 0.448 187 I N 0.849 121.457 120.570 0.064 0.000 2.179 187 I HA -0.214 3.954 4.170 -0.002 0.000 0.242 187 I C 2.545 178.748 176.117 0.144 0.000 1.088 187 I CA 1.035 62.409 61.300 0.124 0.000 1.357 187 I CB -0.572 37.528 38.000 0.165 0.000 1.051 187 I HN 0.419 nan 8.210 nan 0.000 0.409 188 C N 0.606 119.965 119.300 0.098 0.000 2.425 188 C HA -0.122 4.336 4.460 -0.002 0.000 0.277 188 C C 2.737 177.762 174.990 0.058 0.000 1.280 188 C CA 0.570 59.633 59.018 0.076 0.000 1.744 188 C CB -1.008 26.773 27.740 0.070 0.000 1.989 188 C HN 0.458 nan 8.230 nan 0.000 0.491 189 L N 1.486 122.729 121.223 0.033 0.000 2.093 189 L HA -0.116 4.222 4.340 -0.002 0.000 0.208 189 L C 2.767 179.630 176.870 -0.012 0.000 1.085 189 L CA 1.861 56.702 54.840 0.002 0.000 0.755 189 L CB -0.596 41.444 42.059 -0.031 0.000 0.904 189 L HN 0.480 nan 8.230 nan 0.000 0.435 190 S N -0.066 115.641 115.700 0.012 0.000 2.419 190 S HA -0.145 4.324 4.470 -0.002 0.000 0.233 190 S C 1.894 176.522 174.600 0.047 0.000 1.016 190 S CA 0.747 58.944 58.200 -0.004 0.000 0.974 190 S CB -0.626 62.582 63.200 0.014 0.000 0.786 190 S HN 0.376 nan 8.310 nan 0.000 0.492 191 I N 1.496 122.144 120.570 0.130 0.000 2.264 191 I HA -0.173 3.995 4.170 -0.002 0.000 0.248 191 I C 2.271 178.413 176.117 0.042 0.000 1.111 191 I CA 1.275 62.667 61.300 0.152 0.000 1.382 191 I CB -0.449 37.582 38.000 0.051 0.000 1.060 191 I HN 0.323 nan 8.210 nan 0.000 0.418 192 L N 0.101 121.316 121.223 -0.013 0.000 2.191 192 L HA -0.191 4.148 4.340 -0.002 0.000 0.212 192 L C 1.275 178.017 176.870 -0.212 0.000 1.103 192 L CA 0.988 55.806 54.840 -0.038 0.000 0.769 192 L CB -0.624 41.435 42.059 0.001 0.000 0.908 192 L HN 0.270 nan 8.230 nan 0.000 0.438 193 D N -0.136 120.028 120.400 -0.392 0.000 2.319 193 D HA 0.008 4.647 4.640 -0.002 0.000 0.230 193 D C 1.547 177.526 176.300 -0.534 0.000 1.094 193 D CA 0.363 53.783 54.000 -0.967 0.000 0.856 193 D CB 0.302 40.658 40.800 -0.740 0.000 0.915 193 D HN 0.213 nan 8.370 nan 0.000 0.517 194 R N -0.043 120.380 120.500 -0.128 0.000 2.531 194 R HA 0.108 4.447 4.340 -0.002 0.000 0.316 194 R C 0.702 177.094 176.300 0.154 0.000 0.955 194 R CA -0.037 56.107 56.100 0.074 0.000 1.120 194 R CB 0.406 30.799 30.300 0.155 0.000 1.361 194 R HN 0.083 nan 8.270 nan 0.000 0.534 195 S N -0.032 115.755 115.700 0.145 0.000 2.608 195 S HA 0.176 4.644 4.470 -0.002 0.000 0.261 195 S C 1.588 176.293 174.600 0.175 0.000 1.314 195 S CA -0.471 57.815 58.200 0.142 0.000 0.992 195 S CB 0.927 64.192 63.200 0.107 0.000 0.935 195 S HN 0.105 nan 8.310 nan 0.000 0.564 196 L N 1.087 122.382 121.223 0.121 0.000 2.141 196 L HA -0.122 4.217 4.340 -0.002 0.000 0.209 196 L C 2.574 179.515 176.870 0.119 0.000 1.094 196 L CA 1.126 56.030 54.840 0.107 0.000 0.763 196 L CB -0.777 41.324 42.059 0.069 0.000 0.908 196 L HN 0.724 nan 8.230 nan 0.000 0.437 197 N N -0.054 118.726 118.700 0.133 0.000 2.084 197 N HA -0.231 4.508 4.740 -0.002 0.000 0.190 197 N C 1.939 177.569 175.510 0.201 0.000 1.030 197 N CA 1.516 54.665 53.050 0.166 0.000 0.849 197 N CB -0.298 38.316 38.487 0.212 0.000 1.012 197 N HN 0.230 nan 8.380 nan 0.000 0.423 198 F N 2.450 122.463 119.950 0.105 0.000 2.134 198 F HA -0.041 4.485 4.527 -0.002 0.000 0.299 198 F C 2.522 178.371 175.800 0.082 0.000 1.097 198 F CA 1.167 59.226 58.000 0.099 0.000 1.264 198 F CB 0.020 39.074 39.000 0.089 0.000 1.001 198 F HN -0.156 nan 8.300 nan 0.000 0.479 199 R N -0.379 120.231 120.500 0.183 0.000 2.115 199 R HA -0.117 4.222 4.340 -0.002 0.000 0.230 199 R C 2.358 178.654 176.300 -0.007 0.000 1.111 199 R CA 1.242 57.389 56.100 0.078 0.000 0.976 199 R CB -0.269 30.112 30.300 0.134 0.000 0.870 199 R HN 0.244 nan 8.270 nan 0.000 0.445 200 R N 0.166 120.674 120.500 0.013 0.000 2.057 200 R HA -0.073 4.266 4.340 -0.002 0.000 0.229 200 R C -0.087 176.188 176.300 -0.042 0.000 1.136 200 R CA 1.437 57.536 56.100 -0.001 0.000 0.952 200 R CB 0.321 30.637 30.300 0.028 0.000 0.848 200 R HN -0.034 nan 8.270 nan 0.000 0.430 201 D N -1.556 118.805 120.400 -0.064 0.000 2.337 201 D HA 0.180 4.819 4.640 -0.002 0.000 0.238 201 D C -0.076 176.135 176.300 -0.148 0.000 1.331 201 D CA 0.049 53.993 54.000 -0.094 0.000 0.967 201 D CB 1.299 42.069 40.800 -0.051 0.000 1.382 201 D HN 0.177 nan 8.370 nan 0.000 0.549 202 A N 2.849 125.489 122.820 -0.299 0.000 1.908 202 A HA 0.020 4.338 4.320 -0.002 0.000 0.218 202 A C 2.182 179.711 177.584 -0.091 0.000 1.181 202 A CA 2.013 53.741 52.037 -0.516 0.000 0.627 202 A CB -0.460 18.056 19.000 -0.806 0.000 0.818 202 A HN 0.604 nan 8.150 nan 0.000 0.445 203 A N -1.002 121.838 122.820 0.033 0.000 1.883 203 A HA -0.138 4.181 4.320 -0.002 0.000 0.217 203 A C 2.333 179.924 177.584 0.012 0.000 1.186 203 A CA 2.481 54.562 52.037 0.072 0.000 0.624 203 A CB -1.308 17.675 19.000 -0.028 0.000 0.822 203 A HN 0.443 nan 8.150 nan 0.000 0.444 204 T N -0.674 113.865 114.554 -0.026 0.000 2.812 204 T HA -0.096 4.253 4.350 -0.002 0.000 0.264 204 T C 1.666 176.329 174.700 -0.062 0.000 1.042 204 T CA 1.509 63.583 62.100 -0.044 0.000 1.140 204 T CB -0.401 68.440 68.868 -0.045 0.000 0.870 204 T HN 0.708 nan 8.240 nan 0.000 0.445 205 D N 0.984 121.394 120.400 0.017 0.000 2.092 205 D HA -0.120 4.519 4.640 -0.002 0.000 0.193 205 D C 2.049 178.404 176.300 0.091 0.000 0.994 205 D CA 1.136 55.207 54.000 0.118 0.000 0.828 205 D CB -0.302 40.694 40.800 0.328 0.000 0.963 205 D HN 0.136 nan 8.370 nan 0.000 0.450 206 V N 0.676 120.676 119.914 0.143 0.000 2.392 206 V HA -0.231 3.888 4.120 -0.002 0.000 0.249 206 V C 2.537 178.647 176.094 0.027 0.000 1.059 206 V CA 1.813 64.181 62.300 0.113 0.000 1.051 206 V CB -0.966 30.927 31.823 0.116 0.000 0.658 206 V HN 0.401 nan 8.190 nan 0.000 0.455 207 A N -0.572 122.243 122.820 -0.008 0.000 2.015 207 A HA -0.158 4.161 4.320 -0.002 0.000 0.219 207 A C 2.340 179.876 177.584 -0.080 0.000 1.163 207 A CA 1.940 53.964 52.037 -0.022 0.000 0.646 207 A CB -0.461 18.525 19.000 -0.024 0.000 0.806 207 A HN 0.520 nan 8.150 nan 0.000 0.448 208 S N -0.614 114.951 115.700 -0.225 0.000 2.603 208 S HA 0.021 4.490 4.470 -0.002 0.000 0.220 208 S C 1.490 175.966 174.600 -0.206 0.000 0.967 208 S CA 0.109 58.049 58.200 -0.434 0.000 0.920 208 S CB -0.152 62.301 63.200 -1.244 0.000 0.773 208 S HN 0.586 nan 8.310 nan 0.000 0.529 209 R N 2.129 122.624 120.500 -0.009 0.000 2.339 209 R HA 0.026 4.365 4.340 -0.002 0.000 0.199 209 R C 1.372 177.749 176.300 0.130 0.000 1.018 209 R CA 0.799 56.988 56.100 0.149 0.000 1.036 209 R CB -0.499 29.870 30.300 0.115 0.000 0.899 209 R HN 0.680 nan 8.270 nan 0.000 0.473 210 N N -0.603 118.162 118.700 0.108 0.000 2.336 210 N HA -0.064 4.675 4.740 -0.002 0.000 0.189 210 N C -0.295 175.367 175.510 0.253 0.000 1.113 210 N CA -0.182 52.950 53.050 0.136 0.000 0.858 210 N CB 0.382 38.930 38.487 0.103 0.000 0.970 210 N HN -0.098 nan 8.380 nan 0.000 0.471 211 D N 1.230 121.775 120.400 0.241 0.000 2.440 211 D HA 0.214 4.853 4.640 -0.002 0.000 0.239 211 D C -1.620 174.736 176.300 0.093 0.000 1.084 211 D CA -2.705 51.391 54.000 0.160 0.000 0.843 211 D CB 1.894 42.752 40.800 0.098 0.000 1.097 211 D HN -0.057 nan 8.370 nan 0.000 0.531 212 P HA -0.145 nan 4.420 nan 0.000 0.220 212 P C 0.840 177.632 177.300 -0.848 0.000 1.148 212 P CA 0.862 63.494 63.100 -0.781 0.000 0.803 212 P CB 0.570 31.487 31.700 -1.305 0.000 0.782 213 K N -0.974 119.043 120.400 -0.639 0.000 2.057 213 K HA -0.177 4.142 4.320 -0.002 0.000 0.207 213 K C 2.405 178.927 176.600 -0.130 0.000 1.049 213 K CA 1.341 57.451 56.287 -0.296 0.000 0.931 213 K CB -0.706 31.805 32.500 0.019 0.000 0.714 213 K HN 0.124 nan 8.250 nan 0.000 0.440 214 Y N 1.695 121.907 120.300 -0.147 0.000 2.133 214 Y HA -0.243 4.306 4.550 -0.002 0.000 0.287 214 Y C 2.093 177.955 175.900 -0.064 0.000 1.134 214 Y CA 1.180 59.229 58.100 -0.085 0.000 1.133 214 Y CB -0.328 38.125 38.460 -0.012 0.000 0.987 214 Y HN -0.260 nan 8.280 nan 0.000 0.502 215 V N 0.230 120.188 119.914 0.073 0.000 2.332 215 V HA -0.302 3.816 4.120 -0.002 0.000 0.248 215 V C 2.609 178.654 176.094 -0.082 0.000 1.055 215 V CA 1.976 64.296 62.300 0.034 0.000 1.038 215 V CB -1.665 30.300 31.823 0.236 0.000 0.651 215 V HN 0.648 nan 8.190 nan 0.000 0.450 216 G N -0.448 108.283 108.800 -0.115 0.000 2.446 216 G HA2 -0.327 3.632 3.960 -0.002 0.000 0.217 216 G HA3 -0.327 3.632 3.960 -0.002 0.000 0.217 216 G C 1.728 176.574 174.900 -0.090 0.000 1.168 216 G CA 1.069 46.138 45.100 -0.051 0.000 0.771 216 G HN 0.445 nan 8.290 nan 0.000 0.551 217 R N -0.287 120.101 120.500 -0.187 0.000 2.081 217 R HA -0.008 4.330 4.340 -0.002 0.000 0.235 217 R C 2.657 178.805 176.300 -0.253 0.000 1.131 217 R CA 1.263 57.209 56.100 -0.256 0.000 0.960 217 R CB -0.358 29.685 30.300 -0.428 0.000 0.856 217 R HN 0.251 nan 8.270 nan 0.000 0.436 218 V N 1.242 120.957 119.914 -0.331 0.000 2.343 218 V HA -0.248 3.871 4.120 -0.002 0.000 0.247 218 V C 2.285 178.295 176.094 -0.141 0.000 1.051 218 V CA 1.659 63.792 62.300 -0.278 0.000 1.036 218 V CB -0.336 31.274 31.823 -0.354 0.000 0.654 218 V HN 0.364 nan 8.190 nan 0.000 0.451 219 L N 0.694 121.854 121.223 -0.105 0.000 2.141 219 L HA -0.143 4.195 4.340 -0.002 0.000 0.209 219 L C 2.697 179.541 176.870 -0.044 0.000 1.094 219 L CA 1.708 56.514 54.840 -0.055 0.000 0.763 219 L CB -0.678 41.369 42.059 -0.019 0.000 0.908 219 L HN 0.576 nan 8.230 nan 0.000 0.437 220 S N -0.137 115.533 115.700 -0.051 0.000 2.419 220 S HA -0.127 4.342 4.470 -0.002 0.000 0.233 220 S C 2.033 176.612 174.600 -0.035 0.000 1.016 220 S CA 0.832 59.014 58.200 -0.031 0.000 0.974 220 S CB -0.183 62.992 63.200 -0.042 0.000 0.786 220 S HN 0.359 nan 8.310 nan 0.000 0.492 221 A N 1.904 124.693 122.820 -0.052 0.000 1.861 221 A HA 0.327 4.646 4.320 -0.002 0.000 0.212 221 A C 2.272 179.848 177.584 -0.013 0.000 1.199 221 A CA 1.119 53.141 52.037 -0.025 0.000 0.613 221 A CB -0.531 18.444 19.000 -0.041 0.000 0.846 221 A HN 0.470 nan 8.150 nan 0.000 0.446 222 M N 0.083 119.661 119.600 -0.038 0.000 2.460 222 M HA 0.028 4.507 4.480 -0.002 0.000 0.263 222 M C 1.444 177.665 176.300 -0.131 0.000 1.071 222 M CA 0.786 56.049 55.300 -0.061 0.000 1.096 222 M CB -0.791 31.771 32.600 -0.063 0.000 1.408 222 M HN 0.282 nan 8.290 nan 0.000 0.463 223 I N 0.659 121.182 120.570 -0.078 0.000 2.928 223 I HA -0.125 4.044 4.170 -0.002 0.000 0.266 223 I C 0.537 176.697 176.117 0.071 0.000 1.234 223 I CA 0.425 61.685 61.300 -0.066 0.000 1.483 223 I CB -1.451 36.562 38.000 0.023 0.000 1.097 223 I HN 0.327 nan 8.210 nan 0.000 0.455 224 N N -0.452 118.303 118.700 0.092 0.000 2.443 224 N HA 0.082 4.821 4.740 -0.002 0.000 0.295 224 N C 0.831 176.397 175.510 0.095 0.000 1.076 224 N CA -0.099 53.062 53.050 0.187 0.000 0.919 224 N CB 0.948 39.412 38.487 -0.039 0.000 1.176 224 N HN -0.054 nan 8.380 nan 0.000 0.487 225 S N 0.759 116.535 115.700 0.128 0.000 2.481 225 S HA -0.075 4.393 4.470 -0.002 0.000 0.231 225 S C 0.094 174.762 174.600 0.112 0.000 0.996 225 S CA -0.117 58.148 58.200 0.109 0.000 0.942 225 S CB -0.920 62.356 63.200 0.128 0.000 0.768 225 S HN 0.657 nan 8.310 nan 0.000 0.520 226 N N 3.161 121.917 118.700 0.094 0.000 2.353 226 N HA 0.093 4.832 4.740 -0.002 0.000 0.248 226 N C 0.303 175.909 175.510 0.160 0.000 1.240 226 N CA 1.010 54.133 53.050 0.122 0.000 0.862 226 N CB -0.091 38.455 38.487 0.097 0.000 1.086 226 N HN 0.229 nan 8.380 nan 0.000 0.453 227 D N -0.647 119.850 120.400 0.162 0.000 2.531 227 D HA -0.249 4.390 4.640 -0.002 0.000 0.176 227 D C -0.168 176.196 176.300 0.107 0.000 1.217 227 D CA 1.991 56.069 54.000 0.129 0.000 1.125 227 D CB -0.757 40.117 40.800 0.123 0.000 1.148 227 D HN 0.831 nan 8.370 nan 0.000 0.430 228 D N -0.612 119.857 120.400 0.114 0.000 2.602 228 D HA 0.148 4.786 4.640 -0.002 0.000 0.265 228 D C -0.041 176.349 176.300 0.150 0.000 1.454 228 D CA -0.140 53.930 54.000 0.118 0.000 0.795 228 D CB -0.996 39.867 40.800 0.104 0.000 1.140 228 D HN 0.331 nan 8.370 nan 0.000 0.486 229 N N 0.183 118.977 118.700 0.156 0.000 2.738 229 N HA -0.134 4.604 4.740 -0.002 0.000 0.249 229 N C 0.640 176.330 175.510 0.299 0.000 1.047 229 N CA 0.220 53.395 53.050 0.208 0.000 0.707 229 N CB -0.754 37.849 38.487 0.194 0.000 0.937 229 N HN 0.515 nan 8.380 nan 0.000 0.545 230 G N -0.656 108.244 108.800 0.167 0.000 2.525 230 G HA2 0.282 4.241 3.960 -0.002 0.000 0.276 230 G HA3 0.282 4.241 3.960 -0.002 0.000 0.276 230 G C 1.228 176.017 174.900 -0.184 0.000 1.388 230 G CA 0.002 45.107 45.100 0.008 0.000 1.050 230 G HN 0.082 nan 8.290 nan 0.000 0.520 231 V N -0.367 119.178 119.914 -0.616 0.000 2.244 231 V HA 0.034 4.152 4.120 -0.002 0.000 0.244 231 V C 1.218 177.122 176.094 -0.318 0.000 1.042 231 V CA 1.225 63.021 62.300 -0.840 0.000 1.006 231 V CB -0.796 30.513 31.823 -0.857 0.000 0.641 231 V HN 0.274 nan 8.190 nan 0.000 0.446 232 L N 0.307 121.425 121.223 -0.175 0.000 2.307 232 L HA 0.688 5.027 4.340 -0.002 0.000 0.284 232 L C -0.099 176.829 176.870 0.097 0.000 1.023 232 L CA -0.409 54.338 54.840 -0.155 0.000 0.810 232 L CB 1.443 43.173 42.059 -0.547 0.000 1.231 232 L HN 0.178 nan 8.230 nan 0.000 0.423 233 A N 2.486 125.349 122.820 0.072 0.000 2.260 233 A HA 0.656 4.974 4.320 -0.002 0.000 0.308 233 A C 0.403 178.159 177.584 0.286 0.000 1.254 233 A CA -0.273 51.896 52.037 0.220 0.000 0.874 233 A CB 0.544 19.677 19.000 0.222 0.000 1.153 233 A HN 0.763 nan 8.150 nan 0.000 0.527 234 G N 0.941 109.971 108.800 0.383 0.000 2.539 234 G HA2 0.443 4.401 3.960 -0.002 0.000 0.258 234 G HA3 0.443 4.401 3.960 -0.002 0.000 0.258 234 G C -0.218 174.686 174.900 0.006 0.000 1.202 234 G CA -0.449 44.775 45.100 0.206 0.000 0.851 234 G HN 0.928 nan 8.290 nan 0.000 0.556 235 N N -0.080 118.363 118.700 -0.429 0.000 2.777 235 N HA 0.110 4.849 4.740 -0.002 0.000 0.260 235 N C -0.750 174.611 175.510 -0.249 0.000 1.113 235 N CA -0.726 52.194 53.050 -0.218 0.000 0.996 235 N CB 1.047 39.272 38.487 -0.437 0.000 1.584 235 N HN 0.603 nan 8.380 nan 0.000 0.573 236 W N 2.727 124.058 121.300 0.051 0.000 2.506 236 W HA 0.135 4.793 4.660 -0.002 0.000 0.394 236 W C 1.409 177.909 176.519 -0.031 0.000 0.920 236 W CA -0.241 57.119 57.345 0.026 0.000 2.221 236 W CB 0.655 30.015 29.460 -0.166 0.000 1.197 236 W HN 0.595 nan 8.180 nan 0.000 0.627 237 S N -0.674 115.054 115.700 0.047 0.000 2.470 237 S HA 0.165 4.634 4.470 -0.002 0.000 0.225 237 S C 1.811 176.321 174.600 -0.150 0.000 1.006 237 S CA 1.166 59.318 58.200 -0.080 0.000 0.934 237 S CB 0.147 63.242 63.200 -0.175 0.000 0.778 237 S HN 0.368 nan 8.310 nan 0.000 0.517 238 G N -0.192 108.444 108.800 -0.273 0.000 2.175 238 G HA2 -0.183 3.775 3.960 -0.002 0.000 0.244 238 G HA3 -0.183 3.775 3.960 -0.002 0.000 0.244 238 G C 0.149 174.714 174.900 -0.558 0.000 0.982 238 G CA 0.233 45.214 45.100 -0.199 0.000 0.641 238 G HN 0.706 nan 8.290 nan 0.000 0.527 239 T N 0.270 114.254 114.554 -0.951 0.000 2.890 239 T HA 0.551 4.899 4.350 -0.002 0.000 0.295 239 T C -0.595 173.536 174.700 -0.947 0.000 0.993 239 T CA -0.334 61.346 62.100 -0.700 0.000 0.979 239 T CB 0.928 69.611 68.868 -0.308 0.000 0.967 239 T HN 0.241 nan 8.240 nan 0.000 0.441 240 Y N 1.224 121.519 120.300 -0.009 0.000 2.736 240 Y HA 0.261 4.810 4.550 -0.002 0.000 0.293 240 Y C 1.286 177.310 175.900 0.207 0.000 1.062 240 Y CA -0.955 57.180 58.100 0.058 0.000 1.247 240 Y CB -0.110 38.428 38.460 0.131 0.000 1.200 240 Y HN 0.440 nan 8.280 nan 0.000 0.552 241 T N 0.667 115.317 114.554 0.159 0.000 2.928 241 T HA 0.301 4.649 4.350 -0.002 0.000 0.305 241 T C 1.308 176.149 174.700 0.235 0.000 1.035 241 T CA 1.323 63.511 62.100 0.146 0.000 1.145 241 T CB 0.615 69.523 68.868 0.066 0.000 0.963 241 T HN 0.847 nan 8.240 nan 0.000 0.545 242 G N 1.158 110.050 108.800 0.153 0.000 2.175 242 G HA2 0.044 4.003 3.960 -0.002 0.000 0.244 242 G HA3 0.044 4.003 3.960 -0.002 0.000 0.244 242 G C 0.329 175.236 174.900 0.013 0.000 0.982 242 G CA 0.006 45.172 45.100 0.111 0.000 0.641 242 G HN 1.274 nan 8.290 nan 0.000 0.527 243 G N -1.285 107.541 108.800 0.043 0.000 2.664 243 G HA2 0.655 4.614 3.960 -0.002 0.000 0.303 243 G HA3 0.655 4.614 3.960 -0.002 0.000 0.303 243 G C -0.946 173.943 174.900 -0.017 0.000 1.243 243 G CA -0.631 44.380 45.100 -0.148 0.000 0.826 243 G HN 0.438 nan 8.290 nan 0.000 0.498 244 R N 0.245 120.697 120.500 -0.081 0.000 2.604 244 R HA 0.372 4.711 4.340 -0.002 0.000 0.287 244 R C -1.033 175.192 176.300 -0.124 0.000 0.970 244 R CA -0.789 55.192 56.100 -0.198 0.000 0.946 244 R CB 1.772 31.700 30.300 -0.619 0.000 1.127 244 R HN 0.524 nan 8.270 nan 0.000 0.473 245 D N 2.831 123.114 120.400 -0.195 0.000 2.450 245 D HA 0.010 4.649 4.640 -0.002 0.000 0.247 245 D C -1.615 174.466 176.300 -0.364 0.000 1.162 245 D CA -1.735 52.056 54.000 -0.348 0.000 0.879 245 D CB 1.354 42.054 40.800 -0.166 0.000 1.163 245 D HN 0.160 nan 8.370 nan 0.000 0.472 246 P HA -0.154 nan 4.420 nan 0.000 0.217 246 P C 1.125 178.555 177.300 0.217 0.000 1.148 246 P CA 1.047 64.088 63.100 -0.098 0.000 0.834 246 P CB 0.230 31.703 31.700 -0.378 0.000 0.783 247 R N -0.526 120.097 120.500 0.204 0.000 2.235 247 R HA 0.005 4.344 4.340 -0.002 0.000 0.213 247 R C 2.155 178.558 176.300 0.173 0.000 1.059 247 R CA 1.435 57.751 56.100 0.361 0.000 0.997 247 R CB -1.080 29.341 30.300 0.201 0.000 0.884 247 R HN 0.369 nan 8.270 nan 0.000 0.462 248 S N -0.692 114.982 115.700 -0.044 0.000 2.436 248 S HA -0.079 4.390 4.470 -0.002 0.000 0.228 248 S C 0.621 175.131 174.600 -0.149 0.000 1.014 248 S CA -0.339 57.757 58.200 -0.173 0.000 0.950 248 S CB -0.310 62.678 63.200 -0.354 0.000 0.784 248 S HN 0.244 nan 8.310 nan 0.000 0.504 249 W N 2.313 123.631 121.300 0.031 0.000 2.209 249 W HA 0.346 5.005 4.660 -0.002 0.000 0.344 249 W C 1.165 177.571 176.519 -0.189 0.000 1.285 249 W CA -0.591 56.716 57.345 -0.064 0.000 1.267 249 W CB 0.218 29.696 29.460 0.031 0.000 1.167 249 W HN 0.144 nan 8.180 nan 0.000 0.574 250 N N 0.758 119.342 118.700 -0.193 0.000 2.159 250 N HA 0.249 4.987 4.740 -0.002 0.000 0.217 250 N C 0.130 175.008 175.510 -1.052 0.000 1.223 250 N CA 0.280 53.063 53.050 -0.444 0.000 0.896 250 N CB 1.322 39.660 38.487 -0.248 0.000 1.064 250 N HN 0.559 nan 8.380 nan 0.000 0.518 251 G N -1.049 106.939 108.800 -1.353 0.000 2.488 251 G HA2 0.270 4.228 3.960 -0.002 0.000 0.301 251 G HA3 0.270 4.228 3.960 -0.002 0.000 0.301 251 G C -0.337 174.153 174.900 -0.682 0.000 1.339 251 G CA -0.264 43.928 45.100 -1.515 0.000 0.803 251 G HN -0.082 nan 8.290 nan 0.000 0.482 252 S N -0.786 114.831 115.700 -0.138 0.000 2.503 252 S HA 0.054 4.523 4.470 -0.002 0.000 0.217 252 S C 2.402 177.001 174.600 -0.000 0.000 0.999 252 S CA 0.730 59.007 58.200 0.129 0.000 0.914 252 S CB 0.318 63.719 63.200 0.335 0.000 0.782 252 S HN 0.429 nan 8.310 nan 0.000 0.520 253 V N 2.273 122.169 119.914 -0.031 0.000 2.237 253 V HA -0.215 3.903 4.120 -0.002 0.000 0.245 253 V C 2.504 178.598 176.094 0.000 0.000 1.046 253 V CA 2.074 64.373 62.300 -0.002 0.000 1.007 253 V CB -0.567 31.253 31.823 -0.005 0.000 0.638 253 V HN 0.509 nan 8.190 nan 0.000 0.445 254 E N -0.230 119.969 120.200 -0.002 0.000 2.153 254 E HA -0.204 4.145 4.350 -0.002 0.000 0.194 254 E C 2.157 178.760 176.600 0.006 0.000 0.988 254 E CA 1.359 57.793 56.400 0.057 0.000 0.811 254 E CB -0.135 29.670 29.700 0.175 0.000 0.746 254 E HN 0.625 nan 8.360 nan 0.000 0.466 255 I N 0.584 121.048 120.570 -0.178 0.000 2.142 255 I HA -0.311 3.857 4.170 -0.002 0.000 0.240 255 I C 2.380 178.439 176.117 -0.096 0.000 1.078 255 I CA 1.015 62.108 61.300 -0.344 0.000 1.343 255 I CB -0.240 37.417 38.000 -0.572 0.000 1.046 255 I HN 0.194 nan 8.210 nan 0.000 0.405 256 L N 0.352 121.556 121.223 -0.032 0.000 2.046 256 L HA -0.213 4.126 4.340 -0.002 0.000 0.208 256 L C 2.557 179.531 176.870 0.172 0.000 1.077 256 L CA 1.497 56.392 54.840 0.092 0.000 0.747 256 L CB -0.538 41.568 42.059 0.077 0.000 0.896 256 L HN 0.173 nan 8.230 nan 0.000 0.432 257 K N -0.280 120.180 120.400 0.100 0.000 2.148 257 K HA -0.115 4.204 4.320 -0.002 0.000 0.204 257 K C 1.852 178.505 176.600 0.089 0.000 1.050 257 K CA 1.114 57.454 56.287 0.089 0.000 0.942 257 K CB -0.143 32.394 32.500 0.062 0.000 0.724 257 K HN 0.280 nan 8.250 nan 0.000 0.446 258 N N 0.198 118.957 118.700 0.099 0.000 2.216 258 N HA -0.157 4.582 4.740 -0.002 0.000 0.183 258 N C 1.270 176.858 175.510 0.131 0.000 1.017 258 N CA 0.771 53.880 53.050 0.099 0.000 0.861 258 N CB -0.319 38.237 38.487 0.115 0.000 0.986 258 N HN 0.286 nan 8.380 nan 0.000 0.428 259 W N 2.769 124.046 121.300 -0.037 0.000 2.333 259 W HA -0.158 4.501 4.660 -0.002 0.000 0.316 259 W C 2.375 178.882 176.519 -0.020 0.000 1.215 259 W CA 1.729 59.054 57.345 -0.034 0.000 1.278 259 W CB -0.441 28.992 29.460 -0.044 0.000 1.154 259 W HN -0.012 nan 8.180 nan 0.000 0.486 260 K N 0.722 121.094 120.400 -0.046 0.000 2.002 260 K HA -0.279 4.040 4.320 -0.002 0.000 0.209 260 K C 2.312 178.805 176.600 -0.179 0.000 1.048 260 K CA 2.128 58.269 56.287 -0.244 0.000 0.930 260 K CB -0.655 31.799 32.500 -0.077 0.000 0.714 260 K HN 0.090 nan 8.250 nan 0.000 0.438 261 K N 0.598 120.956 120.400 -0.070 0.000 2.160 261 K HA -0.123 4.196 4.320 -0.002 0.000 0.206 261 K C 1.496 178.057 176.600 -0.065 0.000 1.047 261 K CA 1.836 58.092 56.287 -0.051 0.000 0.930 261 K CB -0.142 32.352 32.500 -0.009 0.000 0.720 261 K HN 0.304 nan 8.250 nan 0.000 0.450 262 S N -0.889 114.766 115.700 -0.074 0.000 2.710 262 S HA 0.172 4.641 4.470 -0.002 0.000 0.224 262 S C 0.859 175.390 174.600 -0.114 0.000 0.948 262 S CA 0.140 58.301 58.200 -0.065 0.000 0.949 262 S CB 0.265 63.453 63.200 -0.019 0.000 0.778 262 S HN 0.489 nan 8.310 nan 0.000 0.498 263 G N 1.749 110.443 108.800 -0.177 0.000 2.221 263 G HA2 -0.252 3.707 3.960 -0.002 0.000 0.265 263 G HA3 -0.252 3.707 3.960 -0.002 0.000 0.265 263 G C 0.370 175.097 174.900 -0.290 0.000 1.041 263 G CA -0.100 44.879 45.100 -0.202 0.000 0.807 263 G HN 1.209 nan 8.290 nan 0.000 0.502 264 L N -1.999 118.910 121.223 -0.524 0.000 3.898 264 L HA -0.212 4.126 4.340 -0.002 0.000 0.407 264 L C 1.174 177.941 176.870 -0.171 0.000 1.207 264 L CA 0.725 55.081 54.840 -0.806 0.000 0.931 264 L CB -2.452 39.194 42.059 -0.687 0.000 2.014 264 L HN 1.274 nan 8.230 nan 0.000 0.858 265 S N -1.243 114.434 115.700 -0.038 0.000 2.616 265 S HA 0.750 5.218 4.470 -0.002 0.000 0.277 265 S C -2.154 172.585 174.600 0.231 0.000 1.234 265 S CA -1.413 56.846 58.200 0.098 0.000 1.028 265 S CB 1.781 65.008 63.200 0.044 0.000 0.988 265 S HN 0.015 nan 8.310 nan 0.000 0.522 266 P HA 0.087 nan 4.420 nan 0.000 0.265 266 P C -0.976 176.384 177.300 0.099 0.000 1.187 266 P CA -0.196 63.003 63.100 0.164 0.000 0.766 266 P CB 0.269 32.040 31.700 0.118 0.000 0.820 267 V N 5.462 125.407 119.914 0.052 0.000 2.406 267 V HA 0.276 4.395 4.120 -0.002 0.000 0.272 267 V C 0.735 176.782 176.094 -0.077 0.000 1.043 267 V CA -0.184 62.113 62.300 -0.005 0.000 0.915 267 V CB 0.542 32.311 31.823 -0.090 0.000 0.988 267 V HN 0.442 nan 8.190 nan 0.000 0.466 268 R N 4.361 124.767 120.500 -0.157 0.000 2.338 268 R HA 0.681 5.020 4.340 -0.002 0.000 0.317 268 R C -1.505 174.650 176.300 -0.243 0.000 0.968 268 R CA -0.464 55.304 56.100 -0.554 0.000 0.849 268 R CB 1.528 31.038 30.300 -1.316 0.000 1.128 268 R HN 0.626 nan 8.270 nan 0.000 0.448 269 Y N -0.352 120.078 120.300 0.215 0.000 2.634 269 Y HA 0.703 5.251 4.550 -0.002 0.000 0.340 269 Y C 0.656 176.519 175.900 -0.062 0.000 1.058 269 Y CA -0.950 57.173 58.100 0.039 0.000 1.081 269 Y CB 2.445 40.909 38.460 0.007 0.000 1.295 269 Y HN 0.687 nan 8.280 nan 0.000 0.487 270 G N 0.071 108.762 108.800 -0.181 0.000 2.605 270 G HA2 0.705 4.663 3.960 -0.002 0.000 0.296 270 G HA3 0.705 4.663 3.960 -0.002 0.000 0.296 270 G C -1.727 172.750 174.900 -0.705 0.000 1.304 270 G CA -0.739 44.005 45.100 -0.593 0.000 0.941 270 G HN 0.458 nan 8.290 nan 0.000 0.475 271 Q N -1.138 118.181 119.800 -0.802 0.000 2.587 271 Q HA 0.268 4.606 4.340 -0.002 0.000 0.293 271 Q C 1.630 177.604 176.000 -0.043 0.000 1.083 271 Q CA -0.603 54.861 55.803 -0.564 0.000 0.792 271 Q CB 2.152 30.436 28.738 -0.757 0.000 1.484 271 Q HN 0.854 nan 8.270 nan 0.000 0.446 272 C N -0.679 119.043 119.300 0.704 0.000 2.385 272 C HA -0.184 4.275 4.460 -0.002 0.000 0.275 272 C C 2.076 177.277 174.990 0.352 0.000 1.199 272 C CA 1.573 61.047 59.018 0.761 0.000 1.782 272 C CB -1.658 26.744 27.740 1.102 0.000 2.068 272 C HN 1.018 nan 8.230 nan 0.000 0.471 273 W N 1.785 123.223 121.300 0.230 0.000 2.425 273 W HA 0.205 4.864 4.660 -0.002 0.000 0.277 273 W C 1.787 178.090 176.519 -0.360 0.000 1.231 273 W CA 1.037 58.339 57.345 -0.072 0.000 1.248 273 W CB -1.097 28.304 29.460 -0.100 0.000 1.117 273 W HN 0.198 nan 8.180 nan 0.000 0.568 274 V N 1.124 120.497 119.914 -0.901 0.000 2.379 274 V HA -0.264 3.854 4.120 -0.002 0.000 0.245 274 V C 2.217 178.003 176.094 -0.513 0.000 1.044 274 V CA 1.774 63.614 62.300 -0.767 0.000 1.036 274 V CB -1.150 30.201 31.823 -0.786 0.000 0.664 274 V HN 0.093 nan 8.190 nan 0.000 0.453 275 F N 1.084 120.877 119.950 -0.262 0.000 2.134 275 F HA -0.114 4.412 4.527 -0.002 0.000 0.299 275 F C 2.490 178.226 175.800 -0.106 0.000 1.097 275 F CA 1.524 59.447 58.000 -0.127 0.000 1.264 275 F CB -1.022 37.975 39.000 -0.004 0.000 1.001 275 F HN 0.083 nan 8.300 nan 0.000 0.479 276 A N 0.166 123.033 122.820 0.080 0.000 1.898 276 A HA -0.033 4.285 4.320 -0.002 0.000 0.216 276 A C 2.562 180.097 177.584 -0.082 0.000 1.181 276 A CA 1.736 53.786 52.037 0.021 0.000 0.620 276 A CB -1.587 17.427 19.000 0.024 0.000 0.819 276 A HN 0.400 nan 8.150 nan 0.000 0.442 277 G N -1.123 107.469 108.800 -0.346 0.000 2.418 277 G HA2 -0.134 3.825 3.960 -0.002 0.000 0.217 277 G HA3 -0.134 3.825 3.960 -0.002 0.000 0.217 277 G C 1.564 176.530 174.900 0.109 0.000 1.158 277 G CA 1.639 46.478 45.100 -0.436 0.000 0.771 277 G HN 0.431 nan 8.290 nan 0.000 0.545 278 T N 1.083 115.669 114.554 0.053 0.000 2.777 278 T HA -0.097 4.252 4.350 -0.002 0.000 0.266 278 T C 2.221 176.959 174.700 0.063 0.000 1.040 278 T CA 1.106 63.269 62.100 0.105 0.000 1.141 278 T CB -0.202 68.645 68.868 -0.034 0.000 0.868 278 T HN 0.129 nan 8.240 nan 0.000 0.444 279 L N 1.993 123.240 121.223 0.040 0.000 2.083 279 L HA 0.016 4.354 4.340 -0.002 0.000 0.209 279 L C 2.055 178.939 176.870 0.022 0.000 1.083 279 L CA 1.626 56.488 54.840 0.036 0.000 0.752 279 L CB -0.951 41.143 42.059 0.058 0.000 0.899 279 L HN 0.230 nan 8.230 nan 0.000 0.433 280 N N -1.361 117.337 118.700 -0.003 0.000 2.104 280 N HA -0.203 4.535 4.740 -0.002 0.000 0.190 280 N C 1.535 176.954 175.510 -0.152 0.000 1.024 280 N CA 1.947 54.917 53.050 -0.132 0.000 0.853 280 N CB 0.089 38.388 38.487 -0.312 0.000 1.008 280 N HN 0.443 nan 8.380 nan 0.000 0.424 281 T N 0.872 115.421 114.554 -0.009 0.000 2.684 281 T HA -0.103 4.245 4.350 -0.002 0.000 0.267 281 T C 1.948 176.669 174.700 0.035 0.000 1.036 281 T CA 1.385 63.512 62.100 0.045 0.000 1.148 281 T CB -0.385 68.590 68.868 0.177 0.000 0.863 281 T HN 0.397 nan 8.240 nan 0.000 0.436 282 A N 1.206 124.053 122.820 0.045 0.000 1.883 282 A HA -0.034 4.284 4.320 -0.002 0.000 0.217 282 A C 2.325 179.955 177.584 0.077 0.000 1.186 282 A CA 1.367 53.437 52.037 0.055 0.000 0.624 282 A CB -0.920 18.099 19.000 0.032 0.000 0.822 282 A HN 0.473 nan 8.150 nan 0.000 0.444 283 L N -1.151 120.108 121.223 0.060 0.000 1.994 283 L HA -0.213 4.126 4.340 -0.002 0.000 0.208 283 L C 2.908 179.843 176.870 0.108 0.000 1.071 283 L CA 1.747 56.639 54.840 0.087 0.000 0.745 283 L CB -0.575 41.529 42.059 0.075 0.000 0.892 283 L HN 0.342 nan 8.230 nan 0.000 0.431 284 R N 0.020 120.548 120.500 0.047 0.000 2.105 284 R HA -0.156 4.183 4.340 -0.002 0.000 0.239 284 R C 2.614 179.009 176.300 0.159 0.000 1.135 284 R CA 1.707 57.846 56.100 0.064 0.000 0.967 284 R CB -0.532 29.729 30.300 -0.065 0.000 0.861 284 R HN 0.529 nan 8.270 nan 0.000 0.442 285 S N 0.988 116.779 115.700 0.152 0.000 2.382 285 S HA -0.087 4.382 4.470 -0.002 0.000 0.228 285 S C 1.950 176.737 174.600 0.311 0.000 1.027 285 S CA 0.952 59.326 58.200 0.290 0.000 0.991 285 S CB -0.324 63.004 63.200 0.214 0.000 0.823 285 S HN 0.262 nan 8.310 nan 0.000 0.469 286 L N 0.761 122.138 121.223 0.257 0.000 2.554 286 L HA 0.306 4.644 4.340 -0.002 0.000 0.226 286 L C 1.893 179.031 176.870 0.447 0.000 1.137 286 L CA 0.470 55.492 54.840 0.303 0.000 0.863 286 L CB -0.569 41.684 42.059 0.323 0.000 0.985 286 L HN 0.665 nan 8.230 nan 0.000 0.451 287 G N 0.630 109.673 108.800 0.404 0.000 2.148 287 G HA2 -0.216 3.742 3.960 -0.002 0.000 0.203 287 G HA3 -0.216 3.742 3.960 -0.002 0.000 0.203 287 G C 0.102 175.187 174.900 0.309 0.000 0.993 287 G CA -0.568 44.791 45.100 0.432 0.000 0.661 287 G HN 0.216 nan 8.290 nan 0.000 0.518 288 I N 2.313 123.003 120.570 0.200 0.000 2.291 288 I HA 0.260 4.429 4.170 -0.002 0.000 0.292 288 I C -2.017 174.188 176.117 0.147 0.000 1.064 288 I CA -2.246 59.111 61.300 0.095 0.000 1.269 288 I CB 1.344 39.358 38.000 0.023 0.000 1.418 288 I HN -0.149 nan 8.210 nan 0.000 0.485 289 P HA -0.002 nan 4.420 nan 0.000 0.262 289 P C -0.707 176.727 177.300 0.224 0.000 1.182 289 P CA 0.305 63.481 63.100 0.126 0.000 0.761 289 P CB 0.532 32.217 31.700 -0.024 0.000 0.795 290 S N 2.582 118.416 115.700 0.224 0.000 2.596 290 S HA 0.857 5.325 4.470 -0.002 0.000 0.270 290 S C -1.008 173.615 174.600 0.039 0.000 1.155 290 S CA -1.069 57.249 58.200 0.197 0.000 0.827 290 S CB 2.444 65.713 63.200 0.115 0.000 1.130 290 S HN 0.602 nan 8.310 nan 0.000 0.467 291 R N -0.425 120.010 120.500 -0.109 0.000 2.781 291 R HA 0.798 5.136 4.340 -0.002 0.000 0.269 291 R C -1.932 174.298 176.300 -0.117 0.000 1.025 291 R CA -1.122 54.895 56.100 -0.138 0.000 0.914 291 R CB 1.054 31.165 30.300 -0.317 0.000 1.236 291 R HN 0.447 nan 8.270 nan 0.000 0.465 292 V N 2.367 122.253 119.914 -0.046 0.000 2.439 292 V HA 0.406 4.524 4.120 -0.002 0.000 0.282 292 V C -0.033 175.978 176.094 -0.138 0.000 1.039 292 V CA -0.744 61.524 62.300 -0.053 0.000 0.913 292 V CB 1.395 33.237 31.823 0.030 0.000 0.983 292 V HN 0.508 nan 8.190 nan 0.000 0.460 293 I N 3.556 123.951 120.570 -0.292 0.000 2.441 293 I HA 0.457 4.626 4.170 -0.002 0.000 0.295 293 I C 0.173 175.886 176.117 -0.672 0.000 0.994 293 I CA -0.139 60.862 61.300 -0.499 0.000 1.144 293 I CB 1.957 39.511 38.000 -0.743 0.000 1.314 293 I HN 0.530 nan 8.210 nan 0.000 0.445 294 T N 5.917 120.166 114.554 -0.509 0.000 2.786 294 T HA 0.277 4.626 4.350 -0.002 0.000 0.283 294 T C -0.034 174.313 174.700 -0.589 0.000 0.992 294 T CA -0.612 61.176 62.100 -0.520 0.000 0.954 294 T CB 1.094 69.748 68.868 -0.357 0.000 0.934 294 T HN 0.544 nan 8.240 nan 0.000 0.440 295 N N 3.182 121.491 118.700 -0.651 0.000 2.417 295 N HA 0.405 5.143 4.740 -0.002 0.000 0.274 295 N C -1.132 174.254 175.510 -0.207 0.000 0.987 295 N CA -0.458 52.346 53.050 -0.410 0.000 0.912 295 N CB 0.765 38.992 38.487 -0.433 0.000 1.177 295 N HN 0.291 nan 8.380 nan 0.000 0.490 296 F N 2.128 122.128 119.950 0.083 0.000 2.385 296 F HA 0.295 4.821 4.527 -0.002 0.000 0.336 296 F C 0.788 176.674 175.800 0.143 0.000 1.100 296 F CA -0.482 57.637 58.000 0.198 0.000 1.116 296 F CB 0.816 39.937 39.000 0.203 0.000 1.166 296 F HN 0.517 nan 8.300 nan 0.000 0.511 297 N N 0.758 119.667 118.700 0.349 0.000 2.726 297 N HA -0.221 4.518 4.740 -0.002 0.000 0.253 297 N C -0.643 174.954 175.510 0.144 0.000 1.059 297 N CA 0.405 53.587 53.050 0.219 0.000 0.701 297 N CB -1.237 37.338 38.487 0.146 0.000 0.899 297 N HN 0.425 nan 8.380 nan 0.000 0.548 298 S N -0.544 115.255 115.700 0.165 0.000 2.452 298 S HA 0.721 5.190 4.470 -0.002 0.000 0.284 298 S C 0.405 174.988 174.600 -0.029 0.000 1.171 298 S CA -0.106 58.137 58.200 0.072 0.000 1.064 298 S CB 0.558 63.837 63.200 0.132 0.000 0.967 298 S HN 0.486 nan 8.310 nan 0.000 0.484 299 A N 3.852 126.628 122.820 -0.074 0.000 2.293 299 A HA 0.441 4.760 4.320 -0.002 0.000 0.302 299 A C -0.348 177.153 177.584 -0.137 0.000 1.119 299 A CA -0.510 51.489 52.037 -0.063 0.000 0.823 299 A CB 0.305 19.295 19.000 -0.017 0.000 1.097 299 A HN 1.007 nan 8.150 nan 0.000 0.491 300 H N 1.477 120.456 119.070 -0.151 0.000 2.697 300 H HA 0.268 4.823 4.556 -0.002 0.000 0.270 300 H C -1.191 174.155 175.328 0.030 0.000 1.188 300 H CA -0.695 55.305 56.048 -0.081 0.000 1.322 300 H CB 0.392 30.109 29.762 -0.076 0.000 1.405 300 H HN 0.704 nan 8.280 nan 0.000 0.502 301 D N 3.369 123.926 120.400 0.262 0.000 2.339 301 D HA -0.029 4.609 4.640 -0.002 0.000 0.256 301 D C 1.224 177.645 176.300 0.202 0.000 1.214 301 D CA 0.018 54.116 54.000 0.164 0.000 0.877 301 D CB 1.369 42.248 40.800 0.130 0.000 1.111 301 D HN 0.698 nan 8.370 nan 0.000 0.478 302 T N -0.220 114.344 114.554 0.017 0.000 3.069 302 T HA 0.056 4.405 4.350 -0.002 0.000 0.252 302 T C 0.260 174.959 174.700 -0.002 0.000 1.053 302 T CA -0.167 61.915 62.100 -0.030 0.000 0.964 302 T CB 0.045 68.803 68.868 -0.183 0.000 1.005 302 T HN 0.375 nan 8.240 nan 0.000 0.532 303 D N 1.045 121.455 120.400 0.016 0.000 2.740 303 D HA 0.104 4.743 4.640 -0.002 0.000 0.301 303 D C 0.194 176.507 176.300 0.021 0.000 1.408 303 D CA -0.846 53.159 54.000 0.009 0.000 0.808 303 D CB -0.814 39.984 40.800 -0.003 0.000 1.128 303 D HN 0.518 nan 8.370 nan 0.000 0.465 304 R N 1.293 121.818 120.500 0.042 0.000 2.747 304 R HA -0.267 4.071 4.340 -0.002 0.000 0.236 304 R C -0.536 175.771 176.300 0.010 0.000 0.819 304 R CA 1.001 57.122 56.100 0.034 0.000 0.575 304 R CB -2.325 27.986 30.300 0.018 0.000 1.219 304 R HN 0.391 nan 8.270 nan 0.000 0.518 305 N N 1.849 120.565 118.700 0.027 0.000 2.184 305 N HA 0.064 4.802 4.740 -0.002 0.000 0.234 305 N C 0.413 175.948 175.510 0.041 0.000 1.282 305 N CA -0.010 53.054 53.050 0.023 0.000 0.877 305 N CB 0.311 38.827 38.487 0.048 0.000 1.184 305 N HN 0.519 nan 8.380 nan 0.000 0.510 306 L N -0.058 121.194 121.223 0.048 0.000 3.843 306 L HA -0.229 4.110 4.340 -0.002 0.000 0.411 306 L C -0.344 176.675 176.870 0.248 0.000 1.205 306 L CA 0.660 55.565 54.840 0.107 0.000 0.945 306 L CB -2.360 39.630 42.059 -0.114 0.000 1.929 306 L HN 0.377 nan 8.230 nan 0.000 0.934 307 S N -0.379 115.427 115.700 0.176 0.000 2.540 307 S HA 0.810 5.278 4.470 -0.002 0.000 0.275 307 S C -0.471 174.200 174.600 0.119 0.000 1.123 307 S CA -0.099 58.204 58.200 0.172 0.000 0.907 307 S CB 2.225 65.531 63.200 0.176 0.000 1.081 307 S HN 0.366 nan 8.310 nan 0.000 0.476 308 V N 1.351 121.325 119.914 0.100 0.000 2.656 308 V HA 0.718 4.837 4.120 -0.002 0.000 0.307 308 V C -1.162 174.979 176.094 0.080 0.000 1.051 308 V CA -0.875 61.471 62.300 0.078 0.000 0.893 308 V CB 1.908 33.767 31.823 0.060 0.000 0.999 308 V HN 0.791 nan 8.190 nan 0.000 0.426 309 D N 2.743 123.191 120.400 0.081 0.000 2.163 309 D HA 0.669 5.307 4.640 -0.002 0.000 0.248 309 D C -0.718 175.559 176.300 -0.037 0.000 1.035 309 D CA -0.209 53.828 54.000 0.061 0.000 0.872 309 D CB 2.646 43.449 40.800 0.005 0.000 1.183 309 D HN 0.491 nan 8.370 nan 0.000 0.445 310 V N 2.282 122.134 119.914 -0.104 0.000 2.588 310 V HA 0.333 4.452 4.120 -0.002 0.000 0.304 310 V C -1.081 174.859 176.094 -0.257 0.000 1.042 310 V CA -0.754 61.471 62.300 -0.126 0.000 0.877 310 V CB 1.249 33.037 31.823 -0.058 0.000 0.996 310 V HN 0.404 nan 8.190 nan 0.000 0.425 311 Y N 3.462 123.620 120.300 -0.238 0.000 2.468 311 Y HA 0.786 5.335 4.550 -0.002 0.000 0.342 311 Y C -0.579 175.020 175.900 -0.502 0.000 1.021 311 Y CA -0.890 57.083 58.100 -0.211 0.000 1.079 311 Y CB 1.864 40.204 38.460 -0.200 0.000 1.226 311 Y HN 0.536 nan 8.280 nan 0.000 0.460 312 Y N 0.011 120.378 120.300 0.111 0.000 2.588 312 Y HA 0.359 4.908 4.550 -0.002 0.000 0.343 312 Y C -0.754 175.159 175.900 0.022 0.000 1.065 312 Y CA -1.509 56.608 58.100 0.028 0.000 1.038 312 Y CB 1.728 40.186 38.460 -0.003 0.000 1.297 312 Y HN 0.627 nan 8.280 nan 0.000 0.467 313 D N 0.120 120.631 120.400 0.185 0.000 2.440 313 D HA 0.394 5.033 4.640 -0.002 0.000 0.258 313 D C -2.442 173.922 176.300 0.106 0.000 1.092 313 D CA -2.429 51.638 54.000 0.111 0.000 1.016 313 D CB 1.035 41.898 40.800 0.105 0.000 1.141 313 D HN 0.104 nan 8.370 nan 0.000 0.552 314 P HA -0.022 nan 4.420 nan 0.000 0.222 314 P C 1.120 178.478 177.300 0.097 0.000 1.147 314 P CA 1.278 64.454 63.100 0.126 0.000 0.790 314 P CB 0.030 31.833 31.700 0.171 0.000 0.780 315 M N -2.585 117.072 119.600 0.094 0.000 2.618 315 M HA 0.181 4.660 4.480 -0.002 0.000 0.240 315 M C 1.066 177.424 176.300 0.097 0.000 1.123 315 M CA 0.917 56.266 55.300 0.081 0.000 1.060 315 M CB -0.365 32.282 32.600 0.078 0.000 1.535 315 M HN 0.040 nan 8.290 nan 0.000 0.507 316 G N 1.034 109.906 108.800 0.119 0.000 2.132 316 G HA2 -0.198 3.760 3.960 -0.002 0.000 0.234 316 G HA3 -0.198 3.760 3.960 -0.002 0.000 0.234 316 G C -0.359 174.680 174.900 0.231 0.000 0.989 316 G CA -0.446 44.737 45.100 0.138 0.000 0.676 316 G HN 0.454 nan 8.290 nan 0.000 0.522 317 N N 1.385 120.219 118.700 0.224 0.000 2.455 317 N HA 0.452 5.191 4.740 -0.002 0.000 0.280 317 N C -2.717 172.818 175.510 0.040 0.000 1.055 317 N CA -1.093 52.064 53.050 0.179 0.000 0.961 317 N CB 1.655 40.246 38.487 0.173 0.000 1.121 317 N HN 0.086 nan 8.380 nan 0.000 0.476 318 P HA 0.251 nan 4.420 nan 0.000 0.274 318 P C -0.433 176.571 177.300 -0.493 0.000 1.231 318 P CA -0.118 62.738 63.100 -0.406 0.000 0.790 318 P CB 0.915 32.365 31.700 -0.418 0.000 0.951 319 L N 2.331 123.306 121.223 -0.412 0.000 2.329 319 L HA 0.300 4.639 4.340 -0.002 0.000 0.279 319 L C 0.991 177.668 176.870 -0.321 0.000 1.014 319 L CA -0.430 54.214 54.840 -0.327 0.000 0.814 319 L CB 1.276 43.200 42.059 -0.225 0.000 1.257 319 L HN 0.305 nan 8.230 nan 0.000 0.424 320 D N 0.533 120.747 120.400 -0.310 0.000 2.220 320 D HA -0.203 4.436 4.640 -0.002 0.000 0.198 320 D C 0.658 176.822 176.300 -0.225 0.000 1.001 320 D CA 1.518 55.367 54.000 -0.251 0.000 0.875 320 D CB 0.039 40.719 40.800 -0.199 0.000 0.921 320 D HN 0.217 nan 8.370 nan 0.000 0.454 321 K N -0.019 120.213 120.400 -0.279 0.000 2.383 321 K HA 0.287 4.605 4.320 -0.002 0.000 0.286 321 K C 0.884 177.410 176.600 -0.123 0.000 1.051 321 K CA 0.510 56.619 56.287 -0.296 0.000 0.974 321 K CB 0.531 32.684 32.500 -0.578 0.000 0.968 321 K HN 0.134 nan 8.250 nan 0.000 0.475 322 G N 2.569 111.335 108.800 -0.056 0.000 2.168 322 G HA2 -0.349 3.609 3.960 -0.002 0.000 0.263 322 G HA3 -0.349 3.609 3.960 -0.002 0.000 0.263 322 G C 1.028 175.913 174.900 -0.026 0.000 0.977 322 G CA 0.871 45.992 45.100 0.035 0.000 0.659 322 G HN 0.677 nan 8.290 nan 0.000 0.533 323 S N 0.608 116.252 115.700 -0.094 0.000 2.382 323 S HA -0.093 4.375 4.470 -0.002 0.000 0.228 323 S C 1.792 176.337 174.600 -0.091 0.000 1.027 323 S CA 2.004 60.122 58.200 -0.136 0.000 0.991 323 S CB -0.152 62.935 63.200 -0.188 0.000 0.823 323 S HN 0.780 nan 8.310 nan 0.000 0.469 324 D N -0.330 120.027 120.400 -0.072 0.000 2.424 324 D HA 0.281 4.919 4.640 -0.002 0.000 0.220 324 D C 1.145 177.528 176.300 0.139 0.000 1.150 324 D CA -0.008 53.961 54.000 -0.053 0.000 0.831 324 D CB -0.338 40.366 40.800 -0.160 0.000 0.981 324 D HN 0.221 nan 8.370 nan 0.000 0.500 325 S N -0.503 115.253 115.700 0.094 0.000 2.453 325 S HA 0.049 4.517 4.470 -0.002 0.000 0.231 325 S C 0.768 175.475 174.600 0.179 0.000 1.005 325 S CA 0.201 58.471 58.200 0.117 0.000 0.949 325 S CB 0.295 63.521 63.200 0.042 0.000 0.774 325 S HN 0.218 nan 8.310 nan 0.000 0.510 326 V N 2.307 122.339 119.914 0.197 0.000 2.443 326 V HA 0.333 4.452 4.120 -0.002 0.000 0.293 326 V C -1.012 175.283 176.094 0.335 0.000 1.021 326 V CA -1.032 61.396 62.300 0.213 0.000 0.848 326 V CB 0.858 32.755 31.823 0.124 0.000 0.998 326 V HN 0.357 nan 8.190 nan 0.000 0.424 327 W N 2.846 124.134 121.300 -0.020 0.000 2.251 327 W HA 0.400 5.059 4.660 -0.002 0.000 0.329 327 W C 1.373 177.935 176.519 0.071 0.000 1.234 327 W CA -1.018 56.297 57.345 -0.050 0.000 1.228 327 W CB -0.161 29.238 29.460 -0.102 0.000 1.135 327 W HN 0.539 nan 8.180 nan 0.000 0.576 328 N N 0.848 119.732 118.700 0.307 0.000 2.205 328 N HA -0.082 4.657 4.740 -0.002 0.000 0.186 328 N C -0.387 175.459 175.510 0.561 0.000 1.015 328 N CA 1.481 54.775 53.050 0.406 0.000 0.862 328 N CB -0.130 38.619 38.487 0.436 0.000 0.986 328 N HN 0.299 nan 8.380 nan 0.000 0.429 329 F N -3.286 116.932 119.950 0.447 0.000 2.725 329 F HA 0.506 5.032 4.527 -0.002 0.000 0.309 329 F C -1.411 174.691 175.800 0.503 0.000 1.132 329 F CA -1.397 56.708 58.000 0.175 0.000 0.957 329 F CB 0.913 39.725 39.000 -0.313 0.000 1.286 329 F HN -0.194 nan 8.300 nan 0.000 0.440 330 H N 1.177 120.473 119.070 0.377 0.000 2.856 330 H HA 0.788 5.342 4.556 -0.002 0.000 0.355 330 H C -2.081 173.390 175.328 0.237 0.000 1.079 330 H CA -0.994 55.296 56.048 0.404 0.000 1.240 330 H CB 2.093 31.929 29.762 0.123 0.000 1.701 330 H HN 0.730 nan 8.280 nan 0.000 0.527 331 V N 5.708 125.560 119.914 -0.105 0.000 2.547 331 V HA 0.506 4.624 4.120 -0.002 0.000 0.299 331 V C -0.621 175.302 176.094 -0.286 0.000 1.040 331 V CA -0.327 61.829 62.300 -0.239 0.000 0.913 331 V CB 0.755 32.638 31.823 0.100 0.000 0.992 331 V HN 0.890 nan 8.190 nan 0.000 0.449 332 W N 3.242 124.389 121.300 -0.255 0.000 3.163 332 W HA 0.734 5.393 4.660 -0.002 0.000 0.395 332 W C -1.315 175.163 176.519 -0.070 0.000 1.100 332 W CA -1.013 56.238 57.345 -0.157 0.000 1.134 332 W CB 0.748 30.117 29.460 -0.151 0.000 1.496 332 W HN 0.392 nan 8.180 nan 0.000 0.605 333 N N -0.176 118.772 118.700 0.414 0.000 2.469 333 N HA 0.545 5.283 4.740 -0.002 0.000 0.286 333 N C -1.751 173.945 175.510 0.309 0.000 1.275 333 N CA -1.053 52.136 53.050 0.231 0.000 0.790 333 N CB 2.193 40.764 38.487 0.140 0.000 1.446 333 N HN 0.451 nan 8.380 nan 0.000 0.501 334 E N -0.643 119.647 120.200 0.151 0.000 2.256 334 E HA 0.579 4.928 4.350 -0.002 0.000 0.268 334 E C -0.953 175.818 176.600 0.284 0.000 0.877 334 E CA -0.929 55.582 56.400 0.185 0.000 0.757 334 E CB 2.083 31.777 29.700 -0.009 0.000 1.183 334 E HN 0.594 nan 8.360 nan 0.000 0.418 335 G N 1.906 110.865 108.800 0.265 0.000 2.420 335 G HA2 0.323 4.282 3.960 -0.002 0.000 0.331 335 G HA3 0.323 4.282 3.960 -0.002 0.000 0.331 335 G C -1.506 173.380 174.900 -0.023 0.000 1.168 335 G CA -0.532 44.716 45.100 0.246 0.000 0.936 335 G HN 0.440 nan 8.290 nan 0.000 0.479 336 W N 4.158 125.308 121.300 -0.251 0.000 2.294 336 W HA 0.626 5.285 4.660 -0.002 0.000 0.314 336 W C -1.787 174.570 176.519 -0.271 0.000 1.044 336 W CA -1.193 55.792 57.345 -0.600 0.000 1.284 336 W CB 0.778 29.692 29.460 -0.910 0.000 1.231 336 W HN 0.432 nan 8.180 nan 0.000 0.419 337 F N 3.241 122.858 119.950 -0.555 0.000 2.744 337 F HA 0.441 4.967 4.527 -0.002 0.000 0.311 337 F C -0.536 175.015 175.800 -0.416 0.000 1.144 337 F CA -1.680 56.075 58.000 -0.409 0.000 0.938 337 F CB -0.315 38.559 39.000 -0.210 0.000 1.292 337 F HN 0.107 nan 8.300 nan 0.000 0.444 338 V N 0.187 120.077 119.914 -0.040 0.000 3.096 338 V HA 0.576 4.694 4.120 -0.002 0.000 0.306 338 V C -0.052 176.094 176.094 0.087 0.000 1.088 338 V CA -0.573 61.692 62.300 -0.059 0.000 1.129 338 V CB 0.915 32.730 31.823 -0.014 0.000 1.014 338 V HN 0.865 nan 8.190 nan 0.000 0.486 339 R N 2.429 122.960 120.500 0.052 0.000 2.477 339 R HA 0.311 4.649 4.340 -0.002 0.000 0.285 339 R C 1.313 177.661 176.300 0.080 0.000 1.415 339 R CA 0.460 56.624 56.100 0.106 0.000 1.446 339 R CB 0.693 31.050 30.300 0.095 0.000 1.110 339 R HN 1.095 nan 8.270 nan 0.000 0.590 340 S N 0.035 115.781 115.700 0.076 0.000 2.440 340 S HA -0.171 4.298 4.470 -0.002 0.000 0.238 340 S C 1.136 175.765 174.600 0.049 0.000 1.010 340 S CA 1.430 59.664 58.200 0.056 0.000 0.972 340 S CB 0.013 63.245 63.200 0.053 0.000 0.774 340 S HN 0.507 nan 8.310 nan 0.000 0.501 341 D N 1.289 121.721 120.400 0.054 0.000 2.323 341 D HA 0.023 4.661 4.640 -0.002 0.000 0.209 341 D C 1.697 177.986 176.300 -0.017 0.000 0.973 341 D CA 0.357 54.371 54.000 0.023 0.000 0.874 341 D CB -0.284 40.540 40.800 0.039 0.000 0.930 341 D HN 0.512 nan 8.370 nan 0.000 0.521 342 L N -0.856 120.366 121.223 -0.001 0.000 2.609 342 L HA 0.417 4.756 4.340 -0.002 0.000 0.230 342 L C 1.170 178.099 176.870 0.100 0.000 1.064 342 L CA 0.322 55.134 54.840 -0.047 0.000 0.873 342 L CB 0.342 42.313 42.059 -0.147 0.000 1.139 342 L HN 0.251 nan 8.230 nan 0.000 0.490 343 G N -0.051 108.827 108.800 0.130 0.000 2.440 343 G HA2 -0.090 3.869 3.960 -0.002 0.000 0.684 343 G HA3 -0.090 3.869 3.960 -0.002 0.000 0.684 343 G C -2.612 172.357 174.900 0.116 0.000 1.309 343 G CA -0.711 44.471 45.100 0.137 0.000 0.931 343 G HN -0.185 nan 8.290 nan 0.000 0.612 344 P HA 0.022 nan 4.420 nan 0.000 0.219 344 P C 1.828 179.078 177.300 -0.083 0.000 1.146 344 P CA 1.835 64.925 63.100 -0.016 0.000 0.808 344 P CB 0.139 31.828 31.700 -0.019 0.000 0.779 345 S N -2.280 113.328 115.700 -0.153 0.000 2.489 345 S HA -0.034 4.435 4.470 -0.002 0.000 0.228 345 S C 0.748 175.021 174.600 -0.545 0.000 0.995 345 S CA 0.709 58.675 58.200 -0.390 0.000 0.934 345 S CB -0.698 62.150 63.200 -0.587 0.000 0.771 345 S HN 0.308 nan 8.310 nan 0.000 0.522 346 Y N 1.438 121.690 120.300 -0.080 0.000 2.607 346 Y HA 0.418 4.967 4.550 -0.002 0.000 0.266 346 Y C 1.493 177.292 175.900 -0.167 0.000 1.178 346 Y CA -0.865 57.175 58.100 -0.101 0.000 1.226 346 Y CB -0.221 38.198 38.460 -0.068 0.000 1.144 346 Y HN 0.183 nan 8.280 nan 0.000 0.528 347 G N -0.235 108.486 108.800 -0.132 0.000 2.588 347 G HA2 0.486 4.444 3.960 -0.002 0.000 0.278 347 G HA3 0.486 4.444 3.960 -0.002 0.000 0.278 347 G C 0.557 175.128 174.900 -0.549 0.000 1.307 347 G CA 0.351 45.267 45.100 -0.306 0.000 1.016 347 G HN 0.567 nan 8.290 nan 0.000 0.503 348 G N -1.462 106.704 108.800 -1.057 0.000 2.464 348 G HA2 -0.161 3.798 3.960 -0.002 0.000 0.216 348 G HA3 -0.161 3.798 3.960 -0.002 0.000 0.216 348 G C -0.296 173.908 174.900 -1.161 0.000 1.186 348 G CA -0.223 43.855 45.100 -1.704 0.000 1.010 348 G HN 0.807 nan 8.290 nan 0.000 0.585 349 W N 2.171 123.250 121.300 -0.367 0.000 2.251 349 W HA 0.566 5.224 4.660 -0.002 0.000 0.327 349 W C 0.490 176.824 176.519 -0.308 0.000 1.361 349 W CA -0.184 57.046 57.345 -0.191 0.000 1.234 349 W CB 0.740 30.176 29.460 -0.041 0.000 1.212 349 W HN 0.359 nan 8.180 nan 0.000 0.557 350 Q N 2.813 122.567 119.800 -0.077 0.000 2.321 350 Q HA 0.312 4.651 4.340 -0.002 0.000 0.270 350 Q C -0.623 175.395 176.000 0.030 0.000 1.032 350 Q CA -1.025 54.688 55.803 -0.150 0.000 0.784 350 Q CB 1.872 30.314 28.738 -0.493 0.000 1.264 350 Q HN 0.237 nan 8.270 nan 0.000 0.448 351 V N 3.885 123.840 119.914 0.069 0.000 2.585 351 V HA 0.199 4.318 4.120 -0.002 0.000 0.296 351 V C 0.255 176.383 176.094 0.057 0.000 1.035 351 V CA 0.197 62.548 62.300 0.085 0.000 1.084 351 V CB 0.161 31.958 31.823 -0.044 0.000 0.953 351 V HN 0.550 nan 8.190 nan 0.000 0.483 352 L N 4.604 125.883 121.223 0.093 0.000 2.438 352 L HA 0.601 4.939 4.340 -0.002 0.000 0.270 352 L C -1.050 175.876 176.870 0.092 0.000 0.972 352 L CA -0.395 54.494 54.840 0.081 0.000 0.831 352 L CB 2.285 44.416 42.059 0.120 0.000 1.273 352 L HN 0.541 nan 8.230 nan 0.000 0.405 353 D N 1.850 122.280 120.400 0.050 0.000 2.686 353 D HA 0.464 5.102 4.640 -0.002 0.000 0.249 353 D C 0.125 176.455 176.300 0.049 0.000 1.260 353 D CA -0.310 53.745 54.000 0.093 0.000 0.910 353 D CB 2.444 43.290 40.800 0.077 0.000 1.323 353 D HN 0.565 nan 8.370 nan 0.000 0.561 354 A N 2.754 125.611 122.820 0.061 0.000 2.251 354 A HA 0.145 4.464 4.320 -0.002 0.000 0.209 354 A C 0.925 178.363 177.584 -0.242 0.000 1.187 354 A CA 0.250 52.280 52.037 -0.012 0.000 0.823 354 A CB -0.041 19.011 19.000 0.087 0.000 0.846 354 A HN 0.456 nan 8.150 nan 0.000 0.486 355 T N 3.731 118.168 114.554 -0.194 0.000 2.834 355 T HA 0.309 4.658 4.350 -0.002 0.000 0.298 355 T C -2.517 171.986 174.700 -0.329 0.000 0.966 355 T CA -0.594 61.254 62.100 -0.421 0.000 1.141 355 T CB 0.815 69.772 68.868 0.149 0.000 0.905 355 T HN 0.206 nan 8.240 nan 0.000 0.535 356 P HA 0.185 nan 4.420 nan 0.000 0.260 356 P C -0.065 177.000 177.300 -0.392 0.000 1.651 356 P CA 0.047 62.878 63.100 -0.447 0.000 1.139 356 P CB 0.614 31.828 31.700 -0.810 0.000 1.756 357 Q N 0.874 120.554 119.800 -0.200 0.000 2.581 357 Q HA 0.101 4.440 4.340 -0.002 0.000 0.222 357 Q C 0.124 176.078 176.000 -0.077 0.000 0.904 357 Q CA 0.476 56.101 55.803 -0.297 0.000 0.923 357 Q CB 0.526 28.847 28.738 -0.695 0.000 1.117 357 Q HN 0.316 nan 8.270 nan 0.000 0.618 358 E N 0.674 120.692 120.200 -0.304 0.000 2.234 358 E HA 0.272 4.621 4.350 -0.002 0.000 0.266 358 E C -1.300 175.064 176.600 -0.394 0.000 0.877 358 E CA -0.323 55.874 56.400 -0.339 0.000 0.758 358 E CB 1.128 30.366 29.700 -0.770 0.000 1.170 358 E HN -0.008 nan 8.360 nan 0.000 0.415 359 R N 1.740 121.910 120.500 -0.550 0.000 2.643 359 R HA 0.365 4.704 4.340 -0.002 0.000 0.270 359 R C -0.480 175.596 176.300 -0.373 0.000 1.061 359 R CA 0.034 55.718 56.100 -0.694 0.000 1.107 359 R CB 0.916 30.798 30.300 -0.697 0.000 0.999 359 R HN 0.344 nan 8.270 nan 0.000 0.460 360 S N 1.565 117.088 115.700 -0.296 0.000 2.733 360 S HA 0.106 4.574 4.470 -0.002 0.000 0.294 360 S C -0.718 173.808 174.600 -0.123 0.000 1.149 360 S CA -0.549 57.552 58.200 -0.165 0.000 1.034 360 S CB 0.841 63.970 63.200 -0.118 0.000 1.015 360 S HN 0.721 nan 8.310 nan 0.000 0.486 361 Q N 2.822 122.572 119.800 -0.084 0.000 2.475 361 Q HA -0.244 4.095 4.340 -0.002 0.000 0.280 361 Q C 0.959 176.912 176.000 -0.079 0.000 1.234 361 Q CA 0.975 56.745 55.803 -0.054 0.000 0.873 361 Q CB -1.904 26.827 28.738 -0.011 0.000 1.256 361 Q HN 1.618 nan 8.270 nan 0.000 0.475 362 G N -2.294 106.432 108.800 -0.123 0.000 2.258 362 G HA2 -0.312 3.647 3.960 -0.002 0.000 0.233 362 G HA3 -0.312 3.647 3.960 -0.002 0.000 0.233 362 G C 0.226 175.017 174.900 -0.183 0.000 1.006 362 G CA 0.455 45.477 45.100 -0.130 0.000 0.620 362 G HN 1.130 nan 8.290 nan 0.000 0.511 363 V N -2.839 116.955 119.914 -0.201 0.000 3.158 363 V HA 0.871 4.990 4.120 -0.002 0.000 0.311 363 V C 0.031 175.939 176.094 -0.311 0.000 1.181 363 V CA -1.873 60.300 62.300 -0.212 0.000 1.054 363 V CB 1.557 33.343 31.823 -0.061 0.000 1.085 363 V HN 0.367 nan 8.190 nan 0.000 0.446 364 F N 3.045 122.948 119.950 -0.078 0.000 2.464 364 F HA 0.545 5.071 4.527 -0.002 0.000 0.353 364 F C 0.720 176.447 175.800 -0.121 0.000 1.191 364 F CA 0.296 58.226 58.000 -0.116 0.000 1.147 364 F CB 0.230 39.164 39.000 -0.110 0.000 1.294 364 F HN 0.761 nan 8.300 nan 0.000 0.583 365 Q N 2.210 121.993 119.800 -0.029 0.000 2.462 365 Q HA 0.718 5.057 4.340 -0.002 0.000 0.285 365 Q C -1.767 174.180 176.000 -0.089 0.000 1.035 365 Q CA -1.085 54.681 55.803 -0.061 0.000 0.799 365 Q CB 2.388 31.069 28.738 -0.096 0.000 1.452 365 Q HN 0.464 nan 8.270 nan 0.000 0.404 366 C N 0.940 120.193 119.300 -0.077 0.000 2.832 366 C HA 0.835 5.294 4.460 -0.002 0.000 0.383 366 C C 0.193 175.164 174.990 -0.033 0.000 1.046 366 C CA 1.165 60.150 59.018 -0.056 0.000 1.242 366 C CB 0.512 28.223 27.740 -0.050 0.000 1.693 366 C HN 1.423 nan 8.230 nan 0.000 0.497 367 G N 6.650 115.451 108.800 0.002 0.000 2.655 367 G HA2 0.040 3.999 3.960 -0.002 0.000 0.680 367 G HA3 0.040 3.999 3.960 -0.002 0.000 0.680 367 G C -3.269 171.588 174.900 -0.071 0.000 1.302 367 G CA -0.396 44.729 45.100 0.041 0.000 0.872 367 G HN 0.722 nan 8.290 nan 0.000 0.540 368 P HA 0.523 nan 4.420 nan 0.000 0.279 368 P C -0.387 177.057 177.300 0.239 0.000 1.239 368 P CA 0.525 63.745 63.100 0.200 0.000 0.789 368 P CB 1.550 33.457 31.700 0.346 0.000 0.933 369 A N 2.426 125.320 122.820 0.123 0.000 2.319 369 A HA 0.432 4.750 4.320 -0.002 0.000 0.310 369 A C 0.271 177.877 177.584 0.036 0.000 1.152 369 A CA -0.706 51.381 52.037 0.084 0.000 0.783 369 A CB 0.715 19.750 19.000 0.058 0.000 1.184 369 A HN 0.480 nan 8.150 nan 0.000 0.474 370 S N 2.403 118.118 115.700 0.025 0.000 2.515 370 S HA 0.156 4.624 4.470 -0.002 0.000 0.285 370 S C 1.367 175.977 174.600 0.016 0.000 1.265 370 S CA -0.245 57.967 58.200 0.020 0.000 1.079 370 S CB 0.098 63.364 63.200 0.109 0.000 0.877 370 S HN 0.741 nan 8.310 nan 0.000 0.493 371 V N 7.326 127.209 119.914 -0.052 0.000 2.343 371 V HA -0.192 3.927 4.120 -0.002 0.000 0.247 371 V C 2.188 178.217 176.094 -0.108 0.000 1.051 371 V CA 2.080 64.268 62.300 -0.187 0.000 1.036 371 V CB -0.696 30.928 31.823 -0.331 0.000 0.654 371 V HN 0.914 nan 8.190 nan 0.000 0.451 372 I N 0.708 121.254 120.570 -0.039 0.000 2.208 372 I HA -0.203 3.965 4.170 -0.002 0.000 0.245 372 I C 2.559 178.737 176.117 0.102 0.000 1.097 372 I CA 1.756 63.049 61.300 -0.012 0.000 1.363 372 I CB -0.894 37.068 38.000 -0.062 0.000 1.051 372 I HN 0.429 nan 8.210 nan 0.000 0.413 373 G N 0.299 109.240 108.800 0.235 0.000 2.422 373 G HA2 -0.164 3.795 3.960 -0.002 0.000 0.218 373 G HA3 -0.164 3.795 3.960 -0.002 0.000 0.218 373 G C 1.707 176.729 174.900 0.204 0.000 1.146 373 G CA 0.698 45.986 45.100 0.314 0.000 0.769 373 G HN 0.245 nan 8.290 nan 0.000 0.547 374 V N 0.516 120.530 119.914 0.168 0.000 2.343 374 V HA -0.133 3.986 4.120 -0.002 0.000 0.247 374 V C 2.763 179.053 176.094 0.328 0.000 1.051 374 V CA 2.029 64.488 62.300 0.265 0.000 1.036 374 V CB -0.424 31.522 31.823 0.206 0.000 0.654 374 V HN 0.392 nan 8.190 nan 0.000 0.451 375 R N 0.038 120.646 120.500 0.181 0.000 2.120 375 R HA -0.142 4.197 4.340 -0.002 0.000 0.234 375 R C 1.941 178.429 176.300 0.312 0.000 1.123 375 R CA 1.312 57.511 56.100 0.164 0.000 0.975 375 R CB 0.002 30.290 30.300 -0.020 0.000 0.866 375 R HN 0.442 nan 8.270 nan 0.000 0.446 376 E N -0.767 119.602 120.200 0.282 0.000 2.489 376 E HA 0.062 4.411 4.350 -0.002 0.000 0.193 376 E C 0.850 177.596 176.600 0.244 0.000 1.057 376 E CA 0.740 57.323 56.400 0.305 0.000 0.866 376 E CB 0.608 30.442 29.700 0.222 0.000 0.916 376 E HN 0.575 nan 8.360 nan 0.000 0.500 377 G N 2.339 111.297 108.800 0.264 0.000 2.160 377 G HA2 -0.231 3.728 3.960 -0.002 0.000 0.251 377 G HA3 -0.231 3.728 3.960 -0.002 0.000 0.251 377 G C -0.247 174.596 174.900 -0.094 0.000 1.008 377 G CA 0.233 45.330 45.100 -0.004 0.000 0.724 377 G HN 0.158 nan 8.290 nan 0.000 0.514 378 D N 0.821 121.230 120.400 0.014 0.000 2.845 378 D HA 0.222 4.861 4.640 -0.002 0.000 0.235 378 D C 1.983 178.225 176.300 -0.097 0.000 1.158 378 D CA 0.476 54.458 54.000 -0.031 0.000 0.990 378 D CB 0.400 41.225 40.800 0.042 0.000 1.094 378 D HN 0.617 nan 8.370 nan 0.000 0.486 379 V N -0.337 119.486 119.914 -0.152 0.000 3.592 379 V HA -0.118 4.001 4.120 -0.002 0.000 0.272 379 V C 1.748 177.757 176.094 -0.141 0.000 1.228 379 V CA 0.578 62.788 62.300 -0.150 0.000 1.173 379 V CB -0.368 31.316 31.823 -0.231 0.000 0.873 379 V HN 0.222 nan 8.190 nan 0.000 0.476 380 Q N 0.603 120.315 119.800 -0.146 0.000 2.424 380 Q HA 0.213 4.552 4.340 -0.002 0.000 0.204 380 Q C 0.665 176.561 176.000 -0.173 0.000 0.933 380 Q CA 0.238 55.956 55.803 -0.142 0.000 0.929 380 Q CB -0.123 28.540 28.738 -0.126 0.000 1.037 380 Q HN 0.679 nan 8.270 nan 0.000 0.511 381 L N 2.521 123.621 121.223 -0.206 0.000 2.395 381 L HA 0.262 4.601 4.340 -0.002 0.000 0.269 381 L C 0.272 176.973 176.870 -0.282 0.000 1.133 381 L CA -0.765 53.913 54.840 -0.270 0.000 0.812 381 L CB 0.330 42.175 42.059 -0.357 0.000 1.125 381 L HN -0.019 nan 8.230 nan 0.000 0.452 382 N N 1.459 119.901 118.700 -0.429 0.000 2.508 382 N HA 0.351 5.090 4.740 -0.002 0.000 0.264 382 N C -0.917 174.392 175.510 -0.334 0.000 1.216 382 N CA 0.250 52.867 53.050 -0.723 0.000 0.943 382 N CB 0.790 38.247 38.487 -1.718 0.000 1.113 382 N HN 0.224 nan 8.380 nan 0.000 0.447 383 F N -0.391 119.545 119.950 -0.023 0.000 2.563 383 F HA 0.247 4.773 4.527 -0.002 0.000 0.316 383 F C 0.581 176.373 175.800 -0.015 0.000 1.076 383 F CA -0.829 57.159 58.000 -0.020 0.000 0.921 383 F CB 1.124 40.118 39.000 -0.010 0.000 1.209 383 F HN 0.348 nan 8.300 nan 0.000 0.462 384 D N 1.804 122.299 120.400 0.159 0.000 2.751 384 D HA -0.231 4.408 4.640 -0.002 0.000 0.233 384 D C 1.247 177.615 176.300 0.112 0.000 1.149 384 D CA 0.759 54.829 54.000 0.117 0.000 0.682 384 D CB -0.856 40.013 40.800 0.117 0.000 1.068 384 D HN 0.628 nan 8.370 nan 0.000 0.429 385 M N -1.116 118.519 119.600 0.059 0.000 2.175 385 M HA -0.091 4.388 4.480 -0.002 0.000 0.264 385 M C -0.716 175.629 176.300 0.076 0.000 1.063 385 M CA 1.577 56.910 55.300 0.055 0.000 1.119 385 M CB -0.915 31.689 32.600 0.005 0.000 1.377 385 M HN 0.032 nan 8.290 nan 0.000 0.415 386 P HA -0.193 nan 4.420 nan 0.000 0.215 386 P C 1.385 178.754 177.300 0.117 0.000 1.157 386 P CA 1.276 64.403 63.100 0.045 0.000 0.874 386 P CB -0.223 31.487 31.700 0.016 0.000 0.790 387 F N 0.149 120.093 119.950 -0.010 0.000 2.075 387 F HA -0.160 4.366 4.527 -0.002 0.000 0.297 387 F C 2.020 177.785 175.800 -0.059 0.000 1.113 387 F CA 1.482 59.461 58.000 -0.035 0.000 1.218 387 F CB -0.930 38.023 39.000 -0.078 0.000 0.984 387 F HN -0.235 nan 8.300 nan 0.000 0.472 388 I N -0.850 119.588 120.570 -0.221 0.000 2.226 388 I HA -0.283 3.885 4.170 -0.002 0.000 0.245 388 I C 2.363 178.350 176.117 -0.216 0.000 1.100 388 I CA 1.414 62.484 61.300 -0.383 0.000 1.374 388 I CB -0.668 37.211 38.000 -0.202 0.000 1.057 388 I HN 0.184 nan 8.210 nan 0.000 0.413 389 F N 1.775 121.636 119.950 -0.149 0.000 2.126 389 F HA -0.268 4.258 4.527 -0.002 0.000 0.299 389 F C 2.484 178.235 175.800 -0.083 0.000 1.096 389 F CA 1.606 59.569 58.000 -0.063 0.000 1.255 389 F CB -0.175 38.798 39.000 -0.046 0.000 0.997 389 F HN 0.007 nan 8.300 nan 0.000 0.479 390 A N -0.138 122.715 122.820 0.054 0.000 1.930 390 A HA -0.168 4.151 4.320 -0.002 0.000 0.217 390 A C 2.083 179.564 177.584 -0.172 0.000 1.175 390 A CA 1.659 53.689 52.037 -0.012 0.000 0.627 390 A CB -0.785 18.215 19.000 -0.001 0.000 0.815 390 A HN 0.541 nan 8.150 nan 0.000 0.443 391 E N -0.312 119.664 120.200 -0.372 0.000 2.085 391 E HA -0.163 4.186 4.350 -0.002 0.000 0.194 391 E C 1.916 178.423 176.600 -0.154 0.000 0.994 391 E CA 1.862 58.048 56.400 -0.357 0.000 0.801 391 E CB -0.274 29.096 29.700 -0.550 0.000 0.743 391 E HN 0.670 nan 8.360 nan 0.000 0.453 392 V N -2.014 117.800 119.914 -0.167 0.000 3.590 392 V HA 0.192 4.311 4.120 -0.002 0.000 0.265 392 V C 0.814 176.809 176.094 -0.164 0.000 1.239 392 V CA 0.736 62.962 62.300 -0.123 0.000 1.117 392 V CB 0.272 32.024 31.823 -0.118 0.000 0.818 392 V HN 0.061 nan 8.190 nan 0.000 0.451 393 N N 0.486 119.055 118.700 -0.218 0.000 2.453 393 N HA 0.468 5.206 4.740 -0.002 0.000 0.267 393 N C -0.037 175.535 175.510 0.102 0.000 1.482 393 N CA 0.462 53.422 53.050 -0.150 0.000 0.841 393 N CB 0.868 39.119 38.487 -0.394 0.000 1.408 393 N HN 0.648 nan 8.380 nan 0.000 0.490 394 A N -0.115 122.769 122.820 0.107 0.000 2.351 394 A HA 0.398 4.716 4.320 -0.002 0.000 0.257 394 A C -0.161 177.520 177.584 0.163 0.000 1.087 394 A CA -0.110 52.074 52.037 0.244 0.000 0.798 394 A CB 0.308 19.387 19.000 0.131 0.000 1.033 394 A HN 0.282 nan 8.150 nan 0.000 0.488 395 D N 0.223 120.737 120.400 0.189 0.000 2.304 395 D HA 0.357 4.996 4.640 -0.002 0.000 0.247 395 D C 0.115 176.424 176.300 0.015 0.000 1.089 395 D CA 0.158 54.151 54.000 -0.012 0.000 0.910 395 D CB 0.868 41.607 40.800 -0.102 0.000 1.199 395 D HN 0.497 nan 8.370 nan 0.000 0.426 396 R N 2.089 122.563 120.500 -0.042 0.000 2.343 396 R HA 0.475 4.813 4.340 -0.002 0.000 0.320 396 R C -0.760 175.502 176.300 -0.062 0.000 0.956 396 R CA -0.545 55.536 56.100 -0.032 0.000 0.836 396 R CB 0.492 30.763 30.300 -0.048 0.000 1.151 396 R HN 0.399 nan 8.270 nan 0.000 0.450 397 I N 3.406 123.944 120.570 -0.054 0.000 2.359 397 I HA 0.238 4.407 4.170 -0.002 0.000 0.294 397 I C -0.105 175.880 176.117 -0.221 0.000 0.987 397 I CA -0.612 60.581 61.300 -0.179 0.000 1.225 397 I CB 2.198 40.096 38.000 -0.171 0.000 1.366 397 I HN 0.525 nan 8.210 nan 0.000 0.466 398 T N 4.867 119.239 114.554 -0.303 0.000 2.767 398 T HA 0.398 4.746 4.350 -0.002 0.000 0.284 398 T C -0.955 173.532 174.700 -0.354 0.000 0.973 398 T CA -0.340 61.651 62.100 -0.181 0.000 0.996 398 T CB 0.486 69.327 68.868 -0.045 0.000 0.927 398 T HN 0.315 nan 8.240 nan 0.000 0.456 399 W N 2.317 123.461 121.300 -0.260 0.000 2.706 399 W HA 0.667 5.325 4.660 -0.002 0.000 0.346 399 W C -0.672 175.718 176.519 -0.215 0.000 1.071 399 W CA -1.011 56.162 57.345 -0.288 0.000 1.206 399 W CB 0.989 30.158 29.460 -0.485 0.000 1.413 399 W HN 0.172 nan 8.180 nan 0.000 0.542 400 L N 2.352 123.460 121.223 -0.191 0.000 2.325 400 L HA 0.481 4.819 4.340 -0.002 0.000 0.278 400 L C -1.371 175.170 176.870 -0.549 0.000 1.023 400 L CA -1.116 53.382 54.840 -0.570 0.000 0.811 400 L CB 1.411 42.638 42.059 -1.388 0.000 1.249 400 L HN 0.602 nan 8.230 nan 0.000 0.431 401 Y N 2.847 122.891 120.300 -0.425 0.000 2.362 401 Y HA 0.270 4.818 4.550 -0.002 0.000 0.326 401 Y C -0.828 175.028 175.900 -0.074 0.000 1.083 401 Y CA -0.816 57.167 58.100 -0.196 0.000 1.073 401 Y CB 1.423 39.864 38.460 -0.031 0.000 1.211 401 Y HN 0.561 nan 8.280 nan 0.000 0.433 402 D N 5.054 125.154 120.400 -0.500 0.000 2.454 402 D HA 0.085 4.724 4.640 -0.002 0.000 0.225 402 D C 0.420 176.354 176.300 -0.610 0.000 1.081 402 D CA 0.015 53.848 54.000 -0.280 0.000 0.864 402 D CB 0.916 41.778 40.800 0.103 0.000 1.040 402 D HN 0.905 nan 8.370 nan 0.000 0.517 403 N N 2.217 120.626 118.700 -0.485 0.000 2.149 403 N HA -0.235 4.504 4.740 -0.002 0.000 0.188 403 N C 1.803 177.241 175.510 -0.119 0.000 1.019 403 N CA 2.532 55.438 53.050 -0.241 0.000 0.857 403 N CB 0.053 38.603 38.487 0.104 0.000 0.997 403 N HN 0.464 nan 8.380 nan 0.000 0.426 404 T N -3.768 110.740 114.554 -0.076 0.000 2.849 404 T HA -0.161 4.188 4.350 -0.002 0.000 0.270 404 T C 1.757 176.433 174.700 -0.040 0.000 1.066 404 T CA 1.956 64.036 62.100 -0.034 0.000 1.130 404 T CB -0.934 67.926 68.868 -0.014 0.000 0.864 404 T HN 0.424 nan 8.240 nan 0.000 0.481 405 T N -3.481 111.032 114.554 -0.070 0.000 2.990 405 T HA 0.507 4.856 4.350 -0.002 0.000 0.249 405 T C 1.984 176.653 174.700 -0.053 0.000 1.039 405 T CA 0.708 62.781 62.100 -0.045 0.000 1.036 405 T CB -0.171 68.684 68.868 -0.022 0.000 0.994 405 T HN 0.964 nan 8.240 nan 0.000 0.489 406 G N 1.884 110.599 108.800 -0.143 0.000 2.184 406 G HA2 -0.258 3.700 3.960 -0.002 0.000 0.264 406 G HA3 -0.258 3.700 3.960 -0.002 0.000 0.264 406 G C -0.008 174.880 174.900 -0.020 0.000 0.975 406 G CA 0.261 45.315 45.100 -0.076 0.000 0.642 406 G HN 0.670 nan 8.290 nan 0.000 0.536 407 K N 0.521 120.905 120.400 -0.027 0.000 2.249 407 K HA 0.448 4.767 4.320 -0.002 0.000 0.280 407 K C 0.242 177.044 176.600 0.336 0.000 1.033 407 K CA -0.175 56.219 56.287 0.179 0.000 0.946 407 K CB 1.117 33.734 32.500 0.196 0.000 1.005 407 K HN 0.423 nan 8.250 nan 0.000 0.469 408 Q N 3.564 123.651 119.800 0.479 0.000 2.356 408 Q HA 0.411 4.750 4.340 -0.002 0.000 0.270 408 Q C -1.957 174.468 176.000 0.708 0.000 1.058 408 Q CA -0.920 55.204 55.803 0.534 0.000 0.802 408 Q CB 1.228 30.209 28.738 0.404 0.000 1.303 408 Q HN 0.691 nan 8.270 nan 0.000 0.444 409 W N 2.454 124.022 121.300 0.448 0.000 3.097 409 W HA 0.478 5.137 4.660 -0.002 0.000 0.335 409 W C -1.418 175.297 176.519 0.326 0.000 1.114 409 W CA -1.138 56.437 57.345 0.383 0.000 1.231 409 W CB 0.804 30.377 29.460 0.189 0.000 1.388 409 W HN 0.521 nan 8.180 nan 0.000 0.485 410 K N 3.526 124.039 120.400 0.188 0.000 2.453 410 K HA -0.100 4.219 4.320 -0.002 0.000 0.280 410 K C 0.852 177.313 176.600 -0.231 0.000 1.045 410 K CA 0.417 56.371 56.287 -0.556 0.000 1.059 410 K CB 0.504 32.558 32.500 -0.743 0.000 0.901 410 K HN 0.758 nan 8.250 nan 0.000 0.475 411 N N 1.685 120.202 118.700 -0.306 0.000 2.428 411 N HA -0.053 4.686 4.740 -0.002 0.000 0.181 411 N C -0.594 174.828 175.510 -0.148 0.000 1.028 411 N CA 0.821 53.791 53.050 -0.133 0.000 0.877 411 N CB 0.398 38.821 38.487 -0.108 0.000 1.064 411 N HN 0.651 nan 8.380 nan 0.000 0.434 412 S N -0.820 114.745 115.700 -0.225 0.000 2.611 412 S HA 0.541 5.010 4.470 -0.002 0.000 0.268 412 S C -1.282 173.198 174.600 -0.199 0.000 1.156 412 S CA -0.865 57.235 58.200 -0.167 0.000 0.817 412 S CB 2.064 65.207 63.200 -0.095 0.000 1.122 412 S HN -0.120 nan 8.310 nan 0.000 0.466 413 V N 2.015 121.847 119.914 -0.136 0.000 2.588 413 V HA 0.649 4.768 4.120 -0.002 0.000 0.304 413 V C -0.921 175.129 176.094 -0.072 0.000 1.042 413 V CA -0.625 61.602 62.300 -0.122 0.000 0.877 413 V CB 1.763 33.518 31.823 -0.114 0.000 0.996 413 V HN 0.937 nan 8.190 nan 0.000 0.425 414 N N 2.283 120.935 118.700 -0.079 0.000 2.483 414 N HA 0.213 4.952 4.740 -0.002 0.000 0.267 414 N C 0.477 175.919 175.510 -0.113 0.000 0.998 414 N CA -0.080 52.929 53.050 -0.068 0.000 0.918 414 N CB 2.136 40.532 38.487 -0.152 0.000 1.215 414 N HN 0.713 nan 8.380 nan 0.000 0.500 415 S N 2.144 117.819 115.700 -0.043 0.000 2.614 415 S HA 0.049 4.517 4.470 -0.002 0.000 0.230 415 S C 0.832 175.405 174.600 -0.046 0.000 0.952 415 S CA -0.089 58.038 58.200 -0.122 0.000 0.949 415 S CB -0.426 62.656 63.200 -0.196 0.000 0.786 415 S HN 0.747 nan 8.310 nan 0.000 0.478 416 H N -2.373 116.644 119.070 -0.088 0.000 3.622 416 H HA 0.245 4.800 4.556 -0.002 0.000 0.259 416 H C 1.417 176.711 175.328 -0.058 0.000 1.145 416 H CA 0.608 56.614 56.048 -0.070 0.000 1.178 416 H CB -0.336 29.389 29.762 -0.063 0.000 1.542 416 H HN 0.349 nan 8.280 nan 0.000 0.586 417 T N 1.363 115.474 114.554 -0.738 0.000 2.904 417 T HA 0.113 4.461 4.350 -0.002 0.000 0.267 417 T C 0.959 175.560 174.700 -0.165 0.000 1.059 417 T CA 0.070 61.907 62.100 -0.438 0.000 1.137 417 T CB -0.222 68.394 68.868 -0.419 0.000 0.879 417 T HN 0.111 nan 8.240 nan 0.000 0.467 418 I N 1.840 122.333 120.570 -0.128 0.000 2.588 418 I HA 0.330 4.499 4.170 -0.002 0.000 0.283 418 I C 1.411 177.500 176.117 -0.046 0.000 1.119 418 I CA 0.476 61.745 61.300 -0.052 0.000 1.419 418 I CB -0.197 37.781 38.000 -0.037 0.000 1.394 418 I HN 0.479 nan 8.210 nan 0.000 0.562 419 G N 6.754 115.545 108.800 -0.015 0.000 2.531 419 G HA2 -0.234 3.725 3.960 -0.002 0.000 0.283 419 G HA3 -0.234 3.725 3.960 -0.002 0.000 0.283 419 G C -0.049 174.820 174.900 -0.051 0.000 1.068 419 G CA -0.509 44.573 45.100 -0.029 0.000 1.273 419 G HN 0.681 nan 8.290 nan 0.000 0.532 420 R N -0.334 120.155 120.500 -0.018 0.000 2.803 420 R HA 0.545 4.884 4.340 -0.002 0.000 0.276 420 R C 0.385 176.676 176.300 -0.015 0.000 0.978 420 R CA -1.224 54.774 56.100 -0.169 0.000 0.939 420 R CB 1.219 31.335 30.300 -0.306 0.000 1.179 420 R HN 0.504 nan 8.270 nan 0.000 0.472 421 Y N 0.468 120.788 120.300 0.035 0.000 3.001 421 Y HA -0.251 4.298 4.550 -0.002 0.000 0.207 421 Y C 0.195 176.144 175.900 0.082 0.000 1.231 421 Y CA -0.283 57.819 58.100 0.003 0.000 1.024 421 Y CB -1.676 36.702 38.460 -0.136 0.000 1.267 421 Y HN 0.465 nan 8.280 nan 0.000 0.501 422 I N 1.225 121.851 120.570 0.092 0.000 2.664 422 I HA 0.001 4.169 4.170 -0.002 0.000 0.284 422 I C 0.545 176.631 176.117 -0.050 0.000 1.154 422 I CA 0.748 62.020 61.300 -0.046 0.000 1.402 422 I CB 0.366 38.272 38.000 -0.158 0.000 1.395 422 I HN 0.221 nan 8.210 nan 0.000 0.545 423 S N 4.062 119.704 115.700 -0.096 0.000 2.599 423 S HA 0.693 5.162 4.470 -0.002 0.000 0.294 423 S C -0.279 174.260 174.600 -0.101 0.000 1.094 423 S CA -0.697 57.405 58.200 -0.162 0.000 0.931 423 S CB 2.489 65.471 63.200 -0.363 0.000 1.093 423 S HN 0.687 nan 8.310 nan 0.000 0.488 424 T N 0.824 115.342 114.554 -0.061 0.000 2.894 424 T HA 0.399 4.748 4.350 -0.002 0.000 0.309 424 T C -1.336 173.506 174.700 0.236 0.000 1.208 424 T CA -0.763 61.387 62.100 0.083 0.000 1.016 424 T CB 1.223 70.059 68.868 -0.054 0.000 1.192 424 T HN 0.611 nan 8.240 nan 0.000 0.491 425 K N 2.361 122.960 120.400 0.332 0.000 2.448 425 K HA 0.509 4.828 4.320 -0.002 0.000 0.278 425 K C 0.345 177.051 176.600 0.178 0.000 1.009 425 K CA -0.286 56.191 56.287 0.315 0.000 0.995 425 K CB 0.362 32.977 32.500 0.193 0.000 0.917 425 K HN 0.697 nan 8.250 nan 0.000 0.481 426 A N 3.402 126.305 122.820 0.139 0.000 2.425 426 A HA 0.159 4.478 4.320 -0.002 0.000 0.242 426 A C -0.261 177.332 177.584 0.015 0.000 1.077 426 A CA -0.551 51.525 52.037 0.064 0.000 0.781 426 A CB 0.511 19.539 19.000 0.046 0.000 1.020 426 A HN 0.566 nan 8.150 nan 0.000 0.494 427 V N 1.924 121.816 119.914 -0.037 0.000 2.479 427 V HA 0.419 4.538 4.120 -0.002 0.000 0.281 427 V C 1.567 177.611 176.094 -0.083 0.000 1.031 427 V CA 1.534 63.754 62.300 -0.132 0.000 1.038 427 V CB -0.152 31.565 31.823 -0.178 0.000 0.981 427 V HN 1.900 nan 8.190 nan 0.000 0.478 428 G N 4.043 112.794 108.800 -0.082 0.000 2.184 428 G HA2 -0.225 3.733 3.960 -0.002 0.000 0.264 428 G HA3 -0.225 3.733 3.960 -0.002 0.000 0.264 428 G C 0.233 175.125 174.900 -0.014 0.000 0.975 428 G CA 0.649 45.722 45.100 -0.044 0.000 0.642 428 G HN 1.496 nan 8.290 nan 0.000 0.536 429 S N -2.052 113.647 115.700 -0.001 0.000 2.688 429 S HA 0.563 5.032 4.470 -0.002 0.000 0.275 429 S C 0.143 174.763 174.600 0.034 0.000 1.175 429 S CA 0.013 58.221 58.200 0.014 0.000 0.818 429 S CB 0.824 64.032 63.200 0.014 0.000 1.157 429 S HN 0.170 nan 8.310 nan 0.000 0.482 430 N N 0.350 119.073 118.700 0.038 0.000 2.268 430 N HA 0.337 5.075 4.740 -0.002 0.000 0.204 430 N C 0.465 176.053 175.510 0.129 0.000 1.124 430 N CA -0.022 53.061 53.050 0.054 0.000 0.838 430 N CB 0.373 38.868 38.487 0.012 0.000 0.994 430 N HN 0.765 nan 8.380 nan 0.000 0.489 431 A N 1.473 124.358 122.820 0.108 0.000 2.425 431 A HA 0.108 4.427 4.320 -0.002 0.000 0.242 431 A C 0.484 178.173 177.584 0.174 0.000 1.077 431 A CA -0.109 51.994 52.037 0.109 0.000 0.781 431 A CB 0.310 19.335 19.000 0.041 0.000 1.020 431 A HN 0.328 nan 8.150 nan 0.000 0.494 432 R N 2.131 122.657 120.500 0.043 0.000 2.202 432 R HA 0.416 4.754 4.340 -0.002 0.000 0.334 432 R C -0.450 175.715 176.300 -0.225 0.000 1.036 432 R CA -0.138 55.782 56.100 -0.300 0.000 0.878 432 R CB 0.295 30.165 30.300 -0.716 0.000 1.067 432 R HN 0.816 nan 8.270 nan 0.000 0.457 433 M N 4.993 124.493 119.600 -0.167 0.000 2.088 433 M HA 0.146 4.624 4.480 -0.002 0.000 0.346 433 M C -0.896 175.330 176.300 -0.124 0.000 1.111 433 M CA -0.411 54.833 55.300 -0.094 0.000 1.017 433 M CB 1.062 33.650 32.600 -0.020 0.000 1.568 433 M HN 0.564 nan 8.290 nan 0.000 0.445 434 D N 4.861 125.206 120.400 -0.093 0.000 2.317 434 D HA 0.195 4.833 4.640 -0.002 0.000 0.252 434 D C 0.321 176.614 176.300 -0.013 0.000 1.174 434 D CA -0.068 53.900 54.000 -0.054 0.000 0.866 434 D CB 1.208 41.999 40.800 -0.015 0.000 1.127 434 D HN 0.593 nan 8.370 nan 0.000 0.467 435 V N 1.440 121.356 119.914 0.003 0.000 3.006 435 V HA 0.140 4.258 4.120 -0.002 0.000 0.357 435 V C 1.501 177.668 176.094 0.121 0.000 1.377 435 V CA -0.305 62.025 62.300 0.050 0.000 1.198 435 V CB -0.062 31.788 31.823 0.046 0.000 1.216 435 V HN 0.404 nan 8.190 nan 0.000 0.520 436 T N 0.596 115.195 114.554 0.076 0.000 2.720 436 T HA -0.181 4.167 4.350 -0.002 0.000 0.268 436 T C 1.410 176.163 174.700 0.088 0.000 1.037 436 T CA 2.269 64.416 62.100 0.079 0.000 1.144 436 T CB -0.350 68.528 68.868 0.016 0.000 0.864 436 T HN 0.551 nan 8.240 nan 0.000 0.444 437 D N 0.669 121.095 120.400 0.043 0.000 2.378 437 D HA -0.025 4.614 4.640 -0.002 0.000 0.222 437 D C 1.962 178.248 176.300 -0.023 0.000 0.980 437 D CA 0.629 54.630 54.000 0.001 0.000 0.907 437 D CB 0.021 40.815 40.800 -0.011 0.000 0.899 437 D HN 0.261 nan 8.370 nan 0.000 0.527 438 K N -0.460 119.956 120.400 0.026 0.000 2.314 438 K HA -0.000 4.318 4.320 -0.002 0.000 0.198 438 K C 1.321 177.867 176.600 -0.090 0.000 1.045 438 K CA 0.285 56.550 56.287 -0.037 0.000 0.988 438 K CB 0.050 32.530 32.500 -0.033 0.000 0.783 438 K HN 0.307 nan 8.250 nan 0.000 0.484 439 Y N 1.164 121.456 120.300 -0.014 0.000 2.497 439 Y HA 0.064 4.613 4.550 -0.002 0.000 0.265 439 Y C 0.642 176.522 175.900 -0.034 0.000 1.111 439 Y CA 0.095 58.195 58.100 0.001 0.000 1.288 439 Y CB 0.647 39.124 38.460 0.028 0.000 1.082 439 Y HN -0.086 nan 8.280 nan 0.000 0.536 440 K N -2.151 118.297 120.400 0.080 0.000 2.607 440 K HA 0.234 4.552 4.320 -0.002 0.000 0.287 440 K C -1.742 174.857 176.600 -0.002 0.000 0.996 440 K CA -0.885 55.436 56.287 0.057 0.000 0.876 440 K CB 0.717 33.250 32.500 0.054 0.000 1.496 440 K HN -0.167 nan 8.250 nan 0.000 0.415 441 Y N 0.798 121.141 120.300 0.072 0.000 2.314 441 Y HA 0.220 4.769 4.550 -0.002 0.000 0.334 441 Y C -1.925 174.000 175.900 0.042 0.000 1.266 441 Y CA -1.477 56.659 58.100 0.060 0.000 1.391 441 Y CB 0.371 38.873 38.460 0.070 0.000 1.306 441 Y HN 0.426 nan 8.280 nan 0.000 0.558 442 P HA -0.056 nan 4.420 nan 0.000 0.264 442 P C -0.797 176.555 177.300 0.088 0.000 1.193 442 P CA 0.190 63.348 63.100 0.098 0.000 0.763 442 P CB 0.433 32.181 31.700 0.081 0.000 0.810 443 E N 2.311 122.542 120.200 0.051 0.000 2.417 443 E HA 0.188 4.536 4.350 -0.002 0.000 0.261 443 E C 1.560 178.172 176.600 0.020 0.000 1.000 443 E CA 1.210 57.635 56.400 0.041 0.000 0.919 443 E CB 0.018 29.741 29.700 0.039 0.000 0.955 443 E HN 0.788 nan 8.360 nan 0.000 0.455 444 G N 2.701 111.508 108.800 0.011 0.000 2.259 444 G HA2 -0.291 3.667 3.960 -0.002 0.000 0.217 444 G HA3 -0.291 3.667 3.960 -0.002 0.000 0.217 444 G C 0.454 175.356 174.900 0.003 0.000 1.001 444 G CA 0.249 45.343 45.100 -0.010 0.000 0.627 444 G HN 0.681 nan 8.290 nan 0.000 0.501 445 S N 0.429 116.146 115.700 0.028 0.000 2.617 445 S HA 0.546 5.015 4.470 -0.002 0.000 0.269 445 S C 0.807 175.413 174.600 0.010 0.000 1.292 445 S CA 0.380 58.598 58.200 0.030 0.000 1.010 445 S CB 1.640 64.882 63.200 0.071 0.000 0.944 445 S HN 0.061 nan 8.310 nan 0.000 0.536 446 D N 0.992 121.387 120.400 -0.008 0.000 2.183 446 D HA -0.052 4.586 4.640 -0.002 0.000 0.203 446 D C 1.889 178.154 176.300 -0.058 0.000 0.969 446 D CA 1.103 55.089 54.000 -0.025 0.000 0.842 446 D CB -0.305 40.479 40.800 -0.026 0.000 0.957 446 D HN 0.582 nan 8.370 nan 0.000 0.484 447 Q N 0.801 120.533 119.800 -0.113 0.000 2.096 447 Q HA -0.146 4.192 4.340 -0.002 0.000 0.204 447 Q C 1.986 177.848 176.000 -0.232 0.000 0.982 447 Q CA 0.956 56.565 55.803 -0.323 0.000 0.850 447 Q CB -0.277 28.089 28.738 -0.619 0.000 0.901 447 Q HN 0.282 nan 8.270 nan 0.000 0.422 448 E N 0.323 120.514 120.200 -0.016 0.000 2.058 448 E HA -0.215 4.133 4.350 -0.002 0.000 0.194 448 E C 1.700 178.384 176.600 0.139 0.000 0.997 448 E CA 1.083 57.560 56.400 0.129 0.000 0.801 448 E CB 0.196 29.978 29.700 0.137 0.000 0.746 448 E HN 0.145 nan 8.360 nan 0.000 0.450 449 R N 0.418 120.961 120.500 0.072 0.000 2.090 449 R HA -0.031 4.308 4.340 -0.002 0.000 0.228 449 R C 2.422 178.803 176.300 0.136 0.000 1.110 449 R CA 0.929 57.087 56.100 0.097 0.000 0.973 449 R CB -0.721 29.594 30.300 0.026 0.000 0.869 449 R HN 0.382 nan 8.270 nan 0.000 0.440 450 Q N 0.068 119.897 119.800 0.048 0.000 2.050 450 Q HA -0.086 4.252 4.340 -0.002 0.000 0.202 450 Q C 2.115 178.148 176.000 0.055 0.000 0.980 450 Q CA 1.643 57.459 55.803 0.022 0.000 0.840 450 Q CB -0.176 28.528 28.738 -0.056 0.000 0.898 450 Q HN 0.054 nan 8.270 nan 0.000 0.424 451 V N 0.490 120.443 119.914 0.066 0.000 2.407 451 V HA -0.241 3.877 4.120 -0.002 0.000 0.248 451 V C 1.883 178.096 176.094 0.198 0.000 1.055 451 V CA 1.672 64.052 62.300 0.134 0.000 1.049 451 V CB -0.610 31.363 31.823 0.250 0.000 0.662 451 V HN 0.308 nan 8.190 nan 0.000 0.455 452 F N 0.856 120.912 119.950 0.176 0.000 2.095 452 F HA -0.261 4.264 4.527 -0.002 0.000 0.298 452 F C 2.662 178.491 175.800 0.048 0.000 1.104 452 F CA 2.413 60.533 58.000 0.200 0.000 1.232 452 F CB -0.253 38.860 39.000 0.188 0.000 0.987 452 F HN 0.134 nan 8.300 nan 0.000 0.475 453 Q N 0.658 120.595 119.800 0.228 0.000 2.084 453 Q HA -0.276 4.062 4.340 -0.002 0.000 0.202 453 Q C 2.389 178.360 176.000 -0.047 0.000 0.978 453 Q CA 1.965 57.824 55.803 0.095 0.000 0.844 453 Q CB -0.335 28.468 28.738 0.108 0.000 0.898 453 Q HN 0.516 nan 8.270 nan 0.000 0.426 454 K N -0.186 120.183 120.400 -0.052 0.000 2.026 454 K HA -0.168 4.150 4.320 -0.002 0.000 0.208 454 K C 1.983 178.466 176.600 -0.195 0.000 1.048 454 K CA 1.293 57.524 56.287 -0.093 0.000 0.929 454 K CB -0.300 32.164 32.500 -0.060 0.000 0.713 454 K HN 0.252 nan 8.250 nan 0.000 0.439 455 A N 1.573 124.195 122.820 -0.331 0.000 1.858 455 A HA -0.168 4.151 4.320 -0.002 0.000 0.216 455 A C 2.110 179.423 177.584 -0.452 0.000 1.190 455 A CA 1.517 53.221 52.037 -0.555 0.000 0.617 455 A CB -0.787 17.504 19.000 -1.181 0.000 0.827 455 A HN 0.413 nan 8.150 nan 0.000 0.443 456 L N 0.309 121.256 121.223 -0.460 0.000 2.042 456 L HA -0.085 4.253 4.340 -0.002 0.000 0.210 456 L C 2.363 179.118 176.870 -0.192 0.000 1.076 456 L CA 2.350 56.988 54.840 -0.337 0.000 0.749 456 L CB -1.071 40.803 42.059 -0.309 0.000 0.893 456 L HN 0.320 nan 8.230 nan 0.000 0.432 457 G N -1.249 107.458 108.800 -0.156 0.000 2.470 457 G HA2 -0.235 3.723 3.960 -0.002 0.000 0.220 457 G HA3 -0.235 3.723 3.960 -0.002 0.000 0.220 457 G C 1.637 176.473 174.900 -0.106 0.000 1.121 457 G CA 0.668 45.707 45.100 -0.101 0.000 0.766 457 G HN 0.439 nan 8.290 nan 0.000 0.553 458 K N -0.697 119.617 120.400 -0.143 0.000 2.365 458 K HA 0.265 4.584 4.320 -0.002 0.000 0.197 458 K C 0.857 177.385 176.600 -0.120 0.000 1.042 458 K CA -0.145 56.064 56.287 -0.130 0.000 0.987 458 K CB 0.127 32.532 32.500 -0.157 0.000 0.779 458 K HN 0.251 nan 8.250 nan 0.000 0.484 474 E N 2.570 122.791 120.200 0.034 0.000 2.383 474 E HA 0.432 4.780 4.350 -0.002 0.000 0.264 474 E C -0.463 176.145 176.600 0.014 0.000 1.050 474 E CA -0.003 56.411 56.400 0.023 0.000 0.896 474 E CB 0.907 30.612 29.700 0.008 0.000 0.982 474 E HN 0.497 nan 8.360 nan 0.000 0.424 475 T N 2.784 117.344 114.554 0.011 0.000 2.906 475 T HA 0.133 4.482 4.350 -0.002 0.000 0.302 475 T C -0.673 174.027 174.700 0.001 0.000 1.002 475 T CA -0.729 61.375 62.100 0.006 0.000 0.988 475 T CB 0.678 69.550 68.868 0.006 0.000 0.972 475 T HN 0.332 nan 8.240 nan 0.000 0.447 476 E N 3.311 123.509 120.200 -0.003 0.000 2.328 476 E HA 0.113 4.461 4.350 -0.002 0.000 0.265 476 E C 0.595 177.193 176.600 -0.004 0.000 1.057 476 E CA -0.174 56.222 56.400 -0.006 0.000 0.916 476 E CB 0.815 30.510 29.700 -0.009 0.000 0.993 476 E HN 0.702 nan 8.360 nan 0.000 0.446 477 E N 3.080 123.278 120.200 -0.003 0.000 2.342 477 E HA 0.050 4.399 4.350 -0.002 0.000 0.257 477 E C -0.009 176.589 176.600 -0.004 0.000 1.150 477 E CA -0.842 55.557 56.400 -0.002 0.000 0.926 477 E CB 0.580 30.280 29.700 0.001 0.000 1.074 477 E HN 0.428 nan 8.360 nan 0.000 0.449 478 Q N 0.553 120.351 119.800 -0.003 0.000 2.651 478 Q HA 0.050 4.389 4.340 -0.002 0.000 0.224 478 Q C -0.337 175.661 176.000 -0.004 0.000 1.094 478 Q CA -0.557 55.243 55.803 -0.004 0.000 1.018 478 Q CB 0.217 28.953 28.738 -0.003 0.000 1.292 478 Q HN 0.418 nan 8.270 nan 0.000 0.588 479 E N 1.205 121.402 120.200 -0.005 0.000 2.568 479 E HA 0.020 4.369 4.350 -0.002 0.000 0.262 479 E C -2.075 174.523 176.600 -0.002 0.000 0.961 479 E CA -0.959 55.438 56.400 -0.005 0.000 0.945 479 E CB -0.365 29.332 29.700 -0.005 0.000 0.924 479 E HN 0.440 nan 8.360 nan 0.000 0.467 480 P HA -0.028 nan 4.420 nan 0.000 0.268 480 P C 0.740 178.042 177.300 0.003 0.000 1.204 480 P CA 0.230 63.331 63.100 0.002 0.000 0.768 480 P CB 0.719 32.420 31.700 0.002 0.000 0.842 481 S N 3.358 119.061 115.700 0.004 0.000 2.423 481 S HA -0.028 4.441 4.470 -0.002 0.000 0.231 481 S C 0.865 175.468 174.600 0.006 0.000 1.014 481 S CA 0.795 58.998 58.200 0.005 0.000 0.965 481 S CB -0.287 62.916 63.200 0.005 0.000 0.785 481 S HN 0.245 nan 8.310 nan 0.000 0.495 482 I N 2.896 123.471 120.570 0.007 0.000 2.441 482 I HA 0.484 4.652 4.170 -0.002 0.000 0.295 482 I C -0.113 176.008 176.117 0.007 0.000 0.994 482 I CA -1.140 60.166 61.300 0.009 0.000 1.144 482 I CB 1.499 39.505 38.000 0.011 0.000 1.314 482 I HN 0.282 nan 8.210 nan 0.000 0.445 483 I N 1.644 122.219 120.570 0.008 0.000 2.647 483 I HA 0.982 5.150 4.170 -0.002 0.000 0.295 483 I C -0.289 175.835 176.117 0.012 0.000 1.078 483 I CA -0.497 60.807 61.300 0.007 0.000 1.048 483 I CB 2.447 40.450 38.000 0.006 0.000 1.239 483 I HN 0.566 nan 8.210 nan 0.000 0.421 484 G N 3.457 112.264 108.800 0.012 0.000 2.690 484 G HA2 0.651 4.610 3.960 -0.002 0.000 0.291 484 G HA3 0.651 4.610 3.960 -0.002 0.000 0.291 484 G C -2.105 172.807 174.900 0.019 0.000 1.403 484 G CA -0.845 44.266 45.100 0.018 0.000 0.864 484 G HN 0.863 nan 8.290 nan 0.000 0.480 485 K N 0.273 120.689 120.400 0.026 0.000 2.546 485 K HA 0.513 4.832 4.320 -0.002 0.000 0.264 485 K C -1.553 175.068 176.600 0.034 0.000 0.937 485 K CA -0.783 55.520 56.287 0.028 0.000 0.833 485 K CB 2.131 34.646 32.500 0.025 0.000 1.378 485 K HN 0.377 nan 8.250 nan 0.000 0.432 486 L N 4.359 125.603 121.223 0.036 0.000 2.272 486 L HA 0.437 4.776 4.340 -0.002 0.000 0.289 486 L C -0.359 176.527 176.870 0.027 0.000 1.032 486 L CA -0.521 54.342 54.840 0.037 0.000 0.810 486 L CB 1.263 43.348 42.059 0.043 0.000 1.205 486 L HN 0.590 nan 8.230 nan 0.000 0.422 487 K N 2.787 123.200 120.400 0.020 0.000 2.259 487 K HA 0.629 4.948 4.320 -0.002 0.000 0.252 487 K C -1.135 175.467 176.600 0.002 0.000 0.936 487 K CA -0.822 55.472 56.287 0.013 0.000 0.810 487 K CB 2.146 34.652 32.500 0.011 0.000 1.143 487 K HN 0.216 nan 8.250 nan 0.000 0.427 488 V N 2.155 122.069 119.914 0.000 0.000 2.488 488 V HA 0.371 4.489 4.120 -0.002 0.000 0.277 488 V C -0.062 176.026 176.094 -0.010 0.000 1.046 488 V CA -0.406 61.889 62.300 -0.008 0.000 0.986 488 V CB 0.760 32.580 31.823 -0.005 0.000 0.989 488 V HN 0.906 nan 8.190 nan 0.000 0.475 489 A N 4.792 127.602 122.820 -0.016 0.000 2.277 489 A HA 0.819 5.138 4.320 -0.002 0.000 0.318 489 A C 0.565 178.141 177.584 -0.013 0.000 1.339 489 A CA 0.259 52.288 52.037 -0.014 0.000 0.875 489 A CB 0.182 19.171 19.000 -0.018 0.000 1.158 489 A HN 1.893 nan 8.150 nan 0.000 0.514 490 G N 1.877 110.671 108.800 -0.009 0.000 2.756 490 G HA2 0.078 4.037 3.960 -0.002 0.000 0.678 490 G HA3 0.078 4.037 3.960 -0.002 0.000 0.678 490 G C -0.052 174.845 174.900 -0.005 0.000 1.349 490 G CA -0.288 44.808 45.100 -0.006 0.000 0.847 490 G HN 1.803 nan 8.290 nan 0.000 0.548 491 M N -0.721 118.878 119.600 -0.002 0.000 2.241 491 M HA 0.739 5.217 4.480 -0.002 0.000 0.335 491 M C 0.043 176.348 176.300 0.008 0.000 1.122 491 M CA -0.158 55.142 55.300 0.000 0.000 1.164 491 M CB 0.758 33.357 32.600 -0.002 0.000 1.459 491 M HN 0.388 nan 8.290 nan 0.000 0.461 492 L N 2.678 123.906 121.223 0.008 0.000 2.298 492 L HA 0.859 5.198 4.340 -0.002 0.000 0.284 492 L C -0.518 176.369 176.870 0.028 0.000 1.013 492 L CA -0.531 54.315 54.840 0.011 0.000 0.824 492 L CB 1.426 43.480 42.059 -0.008 0.000 1.221 492 L HN 1.009 nan 8.230 nan 0.000 0.418 493 A N 2.896 125.753 122.820 0.060 0.000 2.574 493 A HA 0.653 4.971 4.320 -0.002 0.000 0.297 493 A C -0.777 176.920 177.584 0.188 0.000 1.062 493 A CA -0.553 51.540 52.037 0.093 0.000 0.686 493 A CB 1.707 20.744 19.000 0.061 0.000 1.285 493 A HN 0.276 nan 8.150 nan 0.000 0.403 494 V N 2.052 122.122 119.914 0.259 0.000 2.458 494 V HA 0.439 4.558 4.120 -0.002 0.000 0.287 494 V C 1.461 177.796 176.094 0.402 0.000 1.009 494 V CA 1.919 64.497 62.300 0.463 0.000 1.091 494 V CB -0.118 32.055 31.823 0.584 0.000 0.960 494 V HN 2.158 nan 8.190 nan 0.000 0.476 495 G N 4.604 113.575 108.800 0.285 0.000 2.428 495 G HA2 -0.146 3.812 3.960 -0.002 0.000 0.199 495 G HA3 -0.146 3.812 3.960 -0.002 0.000 0.199 495 G C 0.157 174.971 174.900 -0.143 0.000 1.005 495 G CA -0.332 44.576 45.100 -0.320 0.000 0.671 495 G HN 0.574 nan 8.290 nan 0.000 0.485 496 K N 1.403 121.884 120.400 0.135 0.000 2.123 496 K HA 0.539 4.857 4.320 -0.002 0.000 0.248 496 K C 0.405 177.173 176.600 0.280 0.000 0.969 496 K CA -0.486 55.884 56.287 0.137 0.000 0.882 496 K CB 1.556 34.113 32.500 0.094 0.000 1.080 496 K HN 0.543 nan 8.250 nan 0.000 0.441 497 E N 0.398 120.718 120.200 0.200 0.000 2.392 497 E HA 0.135 4.484 4.350 -0.002 0.000 0.259 497 E C -0.809 175.904 176.600 0.188 0.000 1.108 497 E CA -0.712 55.830 56.400 0.237 0.000 0.916 497 E CB 0.764 30.540 29.700 0.127 0.000 0.989 497 E HN 0.040 nan 8.360 nan 0.000 0.432 498 V N 2.804 122.819 119.914 0.168 0.000 2.407 498 V HA 0.231 4.349 4.120 -0.002 0.000 0.278 498 V C -0.427 175.644 176.094 -0.039 0.000 1.037 498 V CA -0.712 61.603 62.300 0.026 0.000 0.900 498 V CB 1.004 32.797 31.823 -0.050 0.000 0.983 498 V HN 0.660 nan 8.190 nan 0.000 0.459 499 N N 5.780 124.453 118.700 -0.045 0.000 2.399 499 N HA 0.668 5.407 4.740 -0.002 0.000 0.284 499 N C -1.136 174.333 175.510 -0.069 0.000 1.025 499 N CA -0.332 52.678 53.050 -0.066 0.000 0.885 499 N CB 2.475 40.941 38.487 -0.034 0.000 1.339 499 N HN 0.469 nan 8.380 nan 0.000 0.487 500 L N 0.553 121.718 121.223 -0.097 0.000 2.277 500 L HA 0.754 5.093 4.340 -0.002 0.000 0.254 500 L C -0.560 176.280 176.870 -0.051 0.000 1.044 500 L CA -1.156 53.644 54.840 -0.068 0.000 0.842 500 L CB 2.140 44.151 42.059 -0.079 0.000 1.422 500 L HN -0.002 nan 8.230 nan 0.000 0.422 501 V N 1.686 121.591 119.914 -0.015 0.000 2.668 501 V HA 0.321 4.439 4.120 -0.002 0.000 0.304 501 V C -0.972 175.148 176.094 0.044 0.000 1.071 501 V CA -0.421 61.885 62.300 0.011 0.000 0.894 501 V CB 2.340 34.167 31.823 0.007 0.000 1.008 501 V HN 0.460 nan 8.190 nan 0.000 0.425 502 L N 6.539 127.816 121.223 0.091 0.000 2.260 502 L HA 0.576 4.914 4.340 -0.002 0.000 0.289 502 L C -0.691 176.232 176.870 0.089 0.000 1.057 502 L CA 0.397 55.298 54.840 0.103 0.000 0.811 502 L CB 0.657 42.809 42.059 0.156 0.000 1.184 502 L HN 0.553 nan 8.230 nan 0.000 0.429 503 L N 6.630 127.889 121.223 0.060 0.000 2.282 503 L HA 0.515 4.854 4.340 -0.002 0.000 0.288 503 L C -0.490 176.407 176.870 0.043 0.000 1.033 503 L CA -0.368 54.501 54.840 0.049 0.000 0.807 503 L CB 1.243 43.322 42.059 0.034 0.000 1.209 503 L HN 0.580 nan 8.230 nan 0.000 0.423 504 L N 3.655 124.904 121.223 0.043 0.000 2.323 504 L HA 0.687 5.026 4.340 -0.002 0.000 0.265 504 L C -0.549 176.337 176.870 0.027 0.000 1.012 504 L CA -0.854 54.006 54.840 0.034 0.000 0.820 504 L CB 2.454 44.536 42.059 0.037 0.000 1.334 504 L HN 0.514 nan 8.230 nan 0.000 0.427 505 K N 1.392 121.804 120.400 0.021 0.000 2.557 505 K HA 0.272 4.590 4.320 -0.002 0.000 0.257 505 K C -1.692 174.916 176.600 0.013 0.000 0.933 505 K CA -0.716 55.581 56.287 0.017 0.000 0.820 505 K CB 1.999 34.507 32.500 0.014 0.000 1.330 505 K HN 0.525 nan 8.250 nan 0.000 0.432 506 N N 4.641 123.349 118.700 0.012 0.000 2.426 506 N HA 0.244 4.982 4.740 -0.002 0.000 0.257 506 N C 0.029 175.544 175.510 0.008 0.000 1.002 506 N CA -0.371 52.685 53.050 0.010 0.000 0.942 506 N CB 0.724 39.217 38.487 0.010 0.000 1.112 506 N HN 0.652 nan 8.380 nan 0.000 0.499 507 L N 1.307 122.534 121.223 0.006 0.000 2.607 507 L HA 0.186 4.524 4.340 -0.002 0.000 0.228 507 L C 0.923 177.795 176.870 0.003 0.000 1.123 507 L CA -0.177 54.665 54.840 0.004 0.000 0.890 507 L CB -0.359 41.702 42.059 0.002 0.000 1.103 507 L HN 0.491 nan 8.230 nan 0.000 0.468 508 S N 0.329 116.031 115.700 0.003 0.000 2.669 508 S HA 0.225 4.694 4.470 -0.002 0.000 0.270 508 S C 1.163 175.764 174.600 0.003 0.000 1.225 508 S CA -0.808 57.394 58.200 0.003 0.000 0.991 508 S CB 1.103 64.304 63.200 0.003 0.000 0.987 508 S HN 0.305 nan 8.310 nan 0.000 0.552 509 R N 0.094 120.595 120.500 0.002 0.000 2.334 509 R HA 0.321 4.660 4.340 -0.002 0.000 0.220 509 R C -1.208 175.094 176.300 0.002 0.000 0.917 509 R CA -0.070 56.031 56.100 0.002 0.000 1.073 509 R CB -1.134 29.166 30.300 0.001 0.000 1.056 509 R HN 0.519 nan 8.270 nan 0.000 0.506 510 D N 0.547 120.949 120.400 0.003 0.000 2.423 510 D HA 0.287 4.926 4.640 -0.002 0.000 0.235 510 D C -0.721 175.581 176.300 0.004 0.000 1.011 510 D CA -0.499 53.502 54.000 0.003 0.000 0.963 510 D CB 1.792 42.594 40.800 0.002 0.000 1.349 510 D HN -0.193 nan 8.370 nan 0.000 0.508 511 T N 1.832 116.388 114.554 0.005 0.000 2.884 511 T HA 0.286 4.635 4.350 -0.002 0.000 0.298 511 T C 0.074 174.777 174.700 0.006 0.000 0.998 511 T CA -0.198 61.905 62.100 0.006 0.000 1.124 511 T CB 0.455 69.327 68.868 0.006 0.000 0.931 511 T HN -0.009 nan 8.240 nan 0.000 0.531 512 K N 2.304 122.709 120.400 0.007 0.000 2.375 512 K HA 0.468 4.786 4.320 -0.002 0.000 0.249 512 K C -0.533 176.072 176.600 0.008 0.000 0.942 512 K CA -0.720 55.571 56.287 0.007 0.000 0.806 512 K CB 2.240 34.745 32.500 0.007 0.000 1.227 512 K HN 0.430 nan 8.250 nan 0.000 0.430 513 T N 1.414 115.973 114.554 0.007 0.000 2.749 513 T HA 0.387 4.736 4.350 -0.002 0.000 0.287 513 T C -0.293 174.411 174.700 0.008 0.000 0.970 513 T CA -0.522 61.583 62.100 0.008 0.000 0.980 513 T CB 0.836 69.707 68.868 0.006 0.000 0.924 513 T HN 0.128 nan 8.240 nan 0.000 0.456 514 V N 3.323 123.242 119.914 0.008 0.000 2.417 514 V HA 0.493 4.612 4.120 -0.002 0.000 0.291 514 V C 0.532 176.627 176.094 0.002 0.000 1.024 514 V CA -0.811 61.493 62.300 0.007 0.000 0.861 514 V CB 1.805 33.633 31.823 0.009 0.000 0.985 514 V HN 0.872 nan 8.190 nan 0.000 0.436 515 T N 4.679 119.235 114.554 0.003 0.000 2.799 515 T HA 0.619 4.968 4.350 -0.002 0.000 0.286 515 T C -0.730 173.965 174.700 -0.008 0.000 0.973 515 T CA -0.221 61.877 62.100 -0.003 0.000 1.035 515 T CB 0.837 69.709 68.868 0.006 0.000 0.932 515 T HN 0.428 nan 8.240 nan 0.000 0.469 516 V N 6.901 126.796 119.914 -0.031 0.000 2.483 516 V HA 0.519 4.638 4.120 -0.002 0.000 0.297 516 V C -0.399 175.666 176.094 -0.047 0.000 1.027 516 V CA -1.105 61.171 62.300 -0.040 0.000 0.855 516 V CB 1.832 33.610 31.823 -0.075 0.000 0.995 516 V HN 0.813 nan 8.190 nan 0.000 0.424 517 N N 5.492 124.183 118.700 -0.014 0.000 2.407 517 N HA 0.700 5.438 4.740 -0.002 0.000 0.277 517 N C -0.934 174.592 175.510 0.027 0.000 0.995 517 N CA -0.343 52.703 53.050 -0.007 0.000 0.903 517 N CB 2.228 40.723 38.487 0.014 0.000 1.218 517 N HN 0.585 nan 8.380 nan 0.000 0.487 518 M N 0.579 120.194 119.600 0.025 0.000 2.602 518 M HA 0.509 4.988 4.480 -0.002 0.000 0.312 518 M C 0.152 176.524 176.300 0.120 0.000 1.181 518 M CA -0.665 54.721 55.300 0.143 0.000 0.910 518 M CB 2.455 35.245 32.600 0.316 0.000 1.723 518 M HN 0.509 nan 8.290 nan 0.000 0.459 519 T N -0.989 113.763 114.554 0.330 0.000 2.821 519 T HA 0.912 5.261 4.350 -0.002 0.000 0.306 519 T C -1.645 173.409 174.700 0.590 0.000 1.313 519 T CA -0.927 61.405 62.100 0.386 0.000 1.012 519 T CB 1.938 71.049 68.868 0.404 0.000 1.298 519 T HN 0.903 nan 8.240 nan 0.000 0.502 520 A N 0.912 124.085 122.820 0.587 0.000 2.381 520 A HA 0.713 5.032 4.320 -0.002 0.000 0.299 520 A C -1.899 175.913 177.584 0.380 0.000 1.049 520 A CA -0.873 51.458 52.037 0.490 0.000 0.715 520 A CB 0.826 20.096 19.000 0.449 0.000 1.222 520 A HN 0.734 nan 8.150 nan 0.000 0.428 521 W N 1.347 122.762 121.300 0.192 0.000 2.785 521 W HA 0.553 5.211 4.660 -0.002 0.000 0.333 521 W C 0.470 177.077 176.519 0.147 0.000 1.062 521 W CA -0.069 57.369 57.345 0.154 0.000 1.233 521 W CB 2.146 31.671 29.460 0.109 0.000 1.413 521 W HN 0.788 nan 8.180 nan 0.000 0.489 522 T N 1.693 116.458 114.554 0.351 0.000 2.913 522 T HA 0.723 5.071 4.350 -0.002 0.000 0.297 522 T C -0.151 174.731 174.700 0.302 0.000 1.029 522 T CA -0.407 61.864 62.100 0.286 0.000 1.104 522 T CB 0.846 69.875 68.868 0.268 0.000 0.964 522 T HN 0.430 nan 8.240 nan 0.000 0.532 523 I N -1.196 119.515 120.570 0.235 0.000 3.174 523 I HA 0.657 4.826 4.170 -0.002 0.000 0.313 523 I C -1.121 175.099 176.117 0.172 0.000 1.155 523 I CA -1.863 59.550 61.300 0.189 0.000 0.977 523 I CB 1.769 39.856 38.000 0.144 0.000 1.248 523 I HN 0.373 nan 8.210 nan 0.000 0.453 524 I N 2.121 122.762 120.570 0.120 0.000 2.577 524 I HA 0.130 4.298 4.170 -0.002 0.000 0.300 524 I C 0.955 177.115 176.117 0.072 0.000 0.990 524 I CA -0.351 61.035 61.300 0.143 0.000 1.283 524 I CB 1.129 39.184 38.000 0.091 0.000 1.411 524 I HN 0.924 nan 8.210 nan 0.000 0.515 525 Y N 3.751 124.089 120.300 0.064 0.000 2.384 525 Y HA -0.235 4.314 4.550 -0.002 0.000 0.289 525 Y C 1.537 177.324 175.900 -0.188 0.000 1.152 525 Y CA 1.666 59.757 58.100 -0.014 0.000 1.258 525 Y CB -0.869 37.569 38.460 -0.036 0.000 0.979 525 Y HN 0.731 nan 8.280 nan 0.000 0.549 526 N N -0.387 117.615 118.700 -1.164 0.000 2.461 526 N HA 0.178 4.917 4.740 -0.002 0.000 0.188 526 N C 1.489 176.543 175.510 -0.760 0.000 1.134 526 N CA 0.485 52.597 53.050 -1.562 0.000 0.878 526 N CB 0.141 37.160 38.487 -2.446 0.000 0.972 526 N HN 0.506 nan 8.380 nan 0.000 0.456 527 G N 0.428 109.008 108.800 -0.366 0.000 2.179 527 G HA2 -0.303 3.655 3.960 -0.002 0.000 0.220 527 G HA3 -0.303 3.655 3.960 -0.002 0.000 0.220 527 G C 0.208 175.019 174.900 -0.148 0.000 0.990 527 G CA 0.220 45.219 45.100 -0.168 0.000 0.646 527 G HN 0.610 nan 8.290 nan 0.000 0.517 528 T N 0.712 115.156 114.554 -0.183 0.000 2.853 528 T HA 0.553 4.901 4.350 -0.002 0.000 0.298 528 T C 0.753 175.435 174.700 -0.031 0.000 0.978 528 T CA -0.394 61.639 62.100 -0.113 0.000 1.152 528 T CB 1.318 70.128 68.868 -0.097 0.000 0.914 528 T HN 0.536 nan 8.240 nan 0.000 0.539 529 L N 3.921 125.119 121.223 -0.042 0.000 2.410 529 L HA 0.182 4.521 4.340 -0.002 0.000 0.273 529 L C 1.295 178.280 176.870 0.192 0.000 1.152 529 L CA -0.641 54.227 54.840 0.047 0.000 0.855 529 L CB 0.648 42.588 42.059 -0.198 0.000 1.129 529 L HN 0.593 nan 8.230 nan 0.000 0.463 530 V N 1.416 121.528 119.914 0.331 0.000 2.602 530 V HA 0.169 4.288 4.120 -0.002 0.000 0.235 530 V C 0.188 176.484 176.094 0.338 0.000 1.087 530 V CA 0.513 62.990 62.300 0.295 0.000 1.117 530 V CB 0.083 32.064 31.823 0.263 0.000 0.820 530 V HN 0.763 nan 8.190 nan 0.000 0.490 531 H N -0.174 118.990 119.070 0.157 0.000 3.068 531 H HA 0.268 4.822 4.556 -0.002 0.000 0.342 531 H C -1.278 173.546 175.328 -0.840 0.000 1.284 531 H CA -0.568 55.236 56.048 -0.408 0.000 1.181 531 H CB 2.016 31.372 29.762 -0.677 0.000 1.898 531 H HN 0.389 nan 8.280 nan 0.000 0.540 532 E N 2.414 121.715 120.200 -1.497 0.000 2.290 532 E HA 0.264 4.613 4.350 -0.002 0.000 0.277 532 E C 0.228 176.635 176.600 -0.321 0.000 1.035 532 E CA -0.167 55.439 56.400 -1.322 0.000 0.873 532 E CB 0.781 29.725 29.700 -1.261 0.000 1.029 532 E HN 0.412 nan 8.360 nan 0.000 0.419 533 V N 1.894 121.747 119.914 -0.101 0.000 3.432 533 V HA 0.428 4.547 4.120 -0.002 0.000 0.298 533 V C -0.249 175.999 176.094 0.256 0.000 1.464 533 V CA -0.433 61.942 62.300 0.126 0.000 1.046 533 V CB -0.560 31.402 31.823 0.232 0.000 0.887 533 V HN 0.690 nan 8.190 nan 0.000 0.441 534 W N 1.707 123.000 121.300 -0.012 0.000 3.464 534 W HA 0.613 5.272 4.660 -0.002 0.000 0.292 534 W C -1.879 174.665 176.519 0.041 0.000 1.262 534 W CA -0.547 56.820 57.345 0.037 0.000 1.202 534 W CB 1.256 30.767 29.460 0.085 0.000 1.334 534 W HN 0.221 nan 8.180 nan 0.000 0.561 535 K N 3.523 123.327 120.400 -0.993 0.000 2.597 535 K HA 0.751 5.070 4.320 -0.002 0.000 0.282 535 K C -2.107 173.740 176.600 -1.255 0.000 0.975 535 K CA -0.828 54.889 56.287 -0.949 0.000 0.867 535 K CB 2.556 34.839 32.500 -0.362 0.000 1.465 535 K HN 0.349 nan 8.250 nan 0.000 0.417 536 D N -0.217 119.678 120.400 -0.840 0.000 2.755 536 D HA 0.456 5.095 4.640 -0.002 0.000 0.277 536 D C -1.883 174.286 176.300 -0.219 0.000 1.261 536 D CA 0.038 53.759 54.000 -0.466 0.000 0.759 536 D CB 2.197 42.784 40.800 -0.355 0.000 1.279 536 D HN 0.812 nan 8.370 nan 0.000 0.420 537 S N -0.175 115.448 115.700 -0.128 0.000 2.596 537 S HA 1.001 5.470 4.470 -0.002 0.000 0.270 537 S C -1.426 173.106 174.600 -0.114 0.000 1.155 537 S CA -0.338 57.796 58.200 -0.111 0.000 0.827 537 S CB 1.714 64.871 63.200 -0.072 0.000 1.130 537 S HN 1.140 nan 8.310 nan 0.000 0.467 538 A N 0.679 123.423 122.820 -0.127 0.000 2.594 538 A HA 0.784 5.103 4.320 -0.002 0.000 0.296 538 A C -0.891 176.658 177.584 -0.059 0.000 1.061 538 A CA -0.746 51.233 52.037 -0.097 0.000 0.689 538 A CB 1.362 20.247 19.000 -0.192 0.000 1.280 538 A HN 0.938 nan 8.150 nan 0.000 0.406 539 T N 2.149 116.690 114.554 -0.021 0.000 2.812 539 T HA 0.689 5.038 4.350 -0.002 0.000 0.282 539 T C -0.280 174.423 174.700 0.005 0.000 0.990 539 T CA -0.104 61.991 62.100 -0.008 0.000 0.960 539 T CB 0.866 69.733 68.868 -0.002 0.000 0.948 539 T HN 0.608 nan 8.240 nan 0.000 0.438 540 M N 1.435 121.040 119.600 0.008 0.000 2.691 540 M HA 0.634 5.113 4.480 -0.002 0.000 0.293 540 M C -0.281 176.028 176.300 0.015 0.000 1.259 540 M CA -0.959 54.351 55.300 0.018 0.000 0.827 540 M CB 2.510 35.125 32.600 0.025 0.000 1.753 540 M HN 0.488 nan 8.290 nan 0.000 0.465 541 S N 1.525 117.236 115.700 0.018 0.000 2.552 541 S HA 0.750 5.219 4.470 -0.002 0.000 0.314 541 S C -1.447 173.163 174.600 0.016 0.000 1.099 541 S CA -0.693 57.516 58.200 0.015 0.000 1.070 541 S CB 0.523 63.731 63.200 0.013 0.000 0.998 541 S HN 0.596 nan 8.310 nan 0.000 0.474 542 L N 4.262 125.494 121.223 0.015 0.000 2.333 542 L HA 0.540 4.879 4.340 -0.002 0.000 0.280 542 L C -0.202 176.676 176.870 0.012 0.000 1.004 542 L CA -0.972 53.877 54.840 0.015 0.000 0.820 542 L CB 1.704 43.772 42.059 0.016 0.000 1.247 542 L HN 0.556 nan 8.230 nan 0.000 0.416 543 D N 3.441 123.848 120.400 0.012 0.000 2.358 543 D HA 0.221 4.860 4.640 -0.002 0.000 0.244 543 D C -2.293 174.013 176.300 0.009 0.000 1.163 543 D CA -1.125 52.881 54.000 0.010 0.000 0.945 543 D CB 0.963 41.769 40.800 0.009 0.000 1.152 543 D HN 0.169 nan 8.370 nan 0.000 0.451 544 P HA -0.069 nan 4.420 nan 0.000 0.263 544 P C 0.339 177.643 177.300 0.007 0.000 1.175 544 P CA 0.857 63.961 63.100 0.006 0.000 0.761 544 P CB 0.394 32.097 31.700 0.005 0.000 0.794 545 E N -0.129 120.076 120.200 0.007 0.000 3.680 545 E HA -0.297 4.052 4.350 -0.002 0.000 0.309 545 E C 0.145 176.751 176.600 0.009 0.000 0.793 545 E CA 1.488 57.893 56.400 0.007 0.000 1.083 545 E CB -1.591 28.112 29.700 0.006 0.000 1.548 545 E HN 0.679 nan 8.360 nan 0.000 0.456 546 E N 0.666 120.872 120.200 0.011 0.000 2.392 546 E HA 0.098 4.447 4.350 -0.002 0.000 0.264 546 E C -0.378 176.232 176.600 0.016 0.000 1.024 546 E CA 0.222 56.630 56.400 0.013 0.000 0.903 546 E CB 0.483 30.191 29.700 0.015 0.000 0.963 546 E HN 0.212 nan 8.360 nan 0.000 0.432 547 E N 1.116 121.327 120.200 0.018 0.000 2.207 547 E HA 0.661 5.010 4.350 -0.002 0.000 0.270 547 E C -1.220 175.397 176.600 0.028 0.000 0.927 547 E CA -0.993 55.420 56.400 0.022 0.000 0.799 547 E CB 1.992 31.703 29.700 0.019 0.000 1.172 547 E HN 0.536 nan 8.360 nan 0.000 0.404 548 A N 2.145 124.986 122.820 0.035 0.000 2.587 548 A HA 0.593 4.911 4.320 -0.002 0.000 0.293 548 A C -1.600 176.020 177.584 0.059 0.000 1.087 548 A CA -0.867 51.198 52.037 0.047 0.000 0.692 548 A CB 1.587 20.617 19.000 0.051 0.000 1.291 548 A HN 0.683 nan 8.150 nan 0.000 0.407 549 E N 0.493 120.737 120.200 0.073 0.000 2.308 549 E HA 0.523 4.871 4.350 -0.002 0.000 0.275 549 E C -1.538 175.140 176.600 0.130 0.000 0.890 549 E CA -0.742 55.711 56.400 0.088 0.000 0.754 549 E CB 1.794 31.525 29.700 0.053 0.000 1.207 549 E HN 0.689 nan 8.360 nan 0.000 0.426 550 H N 3.064 122.166 119.070 0.052 0.000 2.551 550 H HA 0.345 4.900 4.556 -0.002 0.000 0.321 550 H C -2.409 172.961 175.328 0.070 0.000 1.028 550 H CA -1.983 54.108 56.048 0.072 0.000 1.215 550 H CB 1.579 31.399 29.762 0.097 0.000 1.414 550 H HN 0.333 nan 8.280 nan 0.000 0.480 551 P HA 0.156 nan 4.420 nan 0.000 0.281 551 P C -0.631 176.553 177.300 -0.192 0.000 1.252 551 P CA -0.067 62.924 63.100 -0.181 0.000 0.778 551 P CB 1.470 33.080 31.700 -0.149 0.000 0.895 552 I N 3.569 124.057 120.570 -0.136 0.000 2.355 552 I HA 0.360 4.529 4.170 -0.002 0.000 0.288 552 I C 0.568 176.479 176.117 -0.345 0.000 0.999 552 I CA -0.520 60.609 61.300 -0.284 0.000 1.163 552 I CB 1.651 39.411 38.000 -0.399 0.000 1.316 552 I HN 0.210 nan 8.210 nan 0.000 0.454 553 K N 8.114 128.306 120.400 -0.348 0.000 2.463 553 K HA 0.643 4.962 4.320 -0.002 0.000 0.255 553 K C -1.486 174.954 176.600 -0.267 0.000 0.942 553 K CA -0.504 55.653 56.287 -0.218 0.000 0.814 553 K CB 1.552 34.020 32.500 -0.052 0.000 1.122 553 K HN 0.573 nan 8.250 nan 0.000 0.425 554 I N 3.703 124.165 120.570 -0.179 0.000 2.410 554 I HA 0.145 4.314 4.170 -0.002 0.000 0.286 554 I C 0.260 176.479 176.117 0.170 0.000 1.009 554 I CA -0.798 60.493 61.300 -0.015 0.000 1.111 554 I CB 1.951 39.951 38.000 0.000 0.000 1.262 554 I HN 0.645 nan 8.210 nan 0.000 0.443 555 S N 4.854 120.638 115.700 0.140 0.000 2.614 555 S HA 0.127 4.596 4.470 -0.002 0.000 0.265 555 S C 0.981 175.536 174.600 -0.076 0.000 1.303 555 S CA -0.245 58.011 58.200 0.094 0.000 1.000 555 S CB 0.972 64.204 63.200 0.054 0.000 0.935 555 S HN 0.638 nan 8.310 nan 0.000 0.551 556 Y N 2.123 122.238 120.300 -0.309 0.000 2.165 556 Y HA -0.082 4.467 4.550 -0.002 0.000 0.286 556 Y C 2.478 177.986 175.900 -0.654 0.000 1.155 556 Y CA 1.940 59.563 58.100 -0.795 0.000 1.164 556 Y CB -1.145 37.109 38.460 -0.343 0.000 0.978 556 Y HN 0.835 nan 8.280 nan 0.000 0.513 557 A N 0.172 122.759 122.820 -0.390 0.000 1.978 557 A HA -0.247 4.072 4.320 -0.002 0.000 0.220 557 A C 2.103 179.490 177.584 -0.328 0.000 1.170 557 A CA 1.955 53.770 52.037 -0.370 0.000 0.636 557 A CB -0.647 18.269 19.000 -0.139 0.000 0.810 557 A HN 0.708 nan 8.150 nan 0.000 0.448 558 Q N -1.638 118.034 119.800 -0.214 0.000 2.049 558 Q HA -0.157 4.181 4.340 -0.002 0.000 0.198 558 Q C 2.043 178.039 176.000 -0.007 0.000 0.971 558 Q CA 1.831 57.605 55.803 -0.048 0.000 0.833 558 Q CB -0.355 28.444 28.738 0.101 0.000 0.896 558 Q HN 1.025 nan 8.270 nan 0.000 0.434 559 Y N 0.688 120.975 120.300 -0.023 0.000 2.476 559 Y HA 0.100 4.649 4.550 -0.002 0.000 0.283 559 Y C 1.865 177.712 175.900 -0.088 0.000 1.109 559 Y CA 0.730 58.834 58.100 0.007 0.000 1.246 559 Y CB -0.596 37.900 38.460 0.061 0.000 1.068 559 Y HN 0.080 nan 8.280 nan 0.000 0.552 560 E N 1.589 121.507 120.200 -0.471 0.000 2.160 560 E HA -0.263 4.086 4.350 -0.002 0.000 0.195 560 E C 2.151 178.567 176.600 -0.306 0.000 0.991 560 E CA 1.776 57.922 56.400 -0.422 0.000 0.810 560 E CB -0.466 28.503 29.700 -1.219 0.000 0.742 560 E HN 0.516 nan 8.360 nan 0.000 0.466 561 R N -0.908 119.345 120.500 -0.411 0.000 2.120 561 R HA -0.107 4.231 4.340 -0.002 0.000 0.234 561 R C 0.817 176.688 176.300 -0.715 0.000 1.123 561 R CA 1.573 57.309 56.100 -0.608 0.000 0.975 561 R CB -0.090 29.717 30.300 -0.822 0.000 0.866 561 R HN 0.403 nan 8.270 nan 0.000 0.446 562 Y N -0.990 119.254 120.300 -0.093 0.000 2.612 562 Y HA 0.210 4.759 4.550 -0.002 0.000 0.250 562 Y C -0.314 175.623 175.900 0.063 0.000 1.175 562 Y CA -0.853 57.221 58.100 -0.043 0.000 1.205 562 Y CB 0.646 39.042 38.460 -0.107 0.000 1.201 562 Y HN -0.022 nan 8.280 nan 0.000 0.532 563 L N 1.989 123.322 121.223 0.183 0.000 2.331 563 L HA 0.319 4.658 4.340 -0.002 0.000 0.278 563 L C -0.200 176.774 176.870 0.172 0.000 1.106 563 L CA -0.172 54.794 54.840 0.209 0.000 0.824 563 L CB 0.352 42.569 42.059 0.265 0.000 1.142 563 L HN -0.102 nan 8.230 nan 0.000 0.443 564 K N 1.767 122.281 120.400 0.191 0.000 2.240 564 K HA 0.326 4.645 4.320 -0.002 0.000 0.237 564 K C 1.262 177.986 176.600 0.207 0.000 1.027 564 K CA 0.271 56.676 56.287 0.196 0.000 0.937 564 K CB 1.239 33.872 32.500 0.222 0.000 1.171 564 K HN 0.709 nan 8.250 nan 0.000 0.479 565 S N -0.603 115.231 115.700 0.223 0.000 2.465 565 S HA -0.157 4.312 4.470 -0.002 0.000 0.241 565 S C 0.815 175.537 174.600 0.203 0.000 1.000 565 S CA 1.686 60.007 58.200 0.202 0.000 0.964 565 S CB -0.342 62.970 63.200 0.186 0.000 0.763 565 S HN 0.513 nan 8.310 nan 0.000 0.512 566 D N 1.971 122.514 120.400 0.240 0.000 2.264 566 D HA 0.010 4.649 4.640 -0.002 0.000 0.208 566 D C 0.339 176.762 176.300 0.204 0.000 0.966 566 D CA 0.716 54.866 54.000 0.249 0.000 0.864 566 D CB -0.358 40.629 40.800 0.312 0.000 0.933 566 D HN 0.274 nan 8.370 nan 0.000 0.499 567 N N -0.336 118.477 118.700 0.188 0.000 2.725 567 N HA -0.158 4.581 4.740 -0.002 0.000 0.249 567 N C -0.861 174.725 175.510 0.128 0.000 1.103 567 N CA 0.707 53.849 53.050 0.153 0.000 0.707 567 N CB -0.724 37.850 38.487 0.145 0.000 1.043 567 N HN 0.264 nan 8.380 nan 0.000 0.553 568 M N 0.429 120.123 119.600 0.157 0.000 2.423 568 M HA 0.529 5.008 4.480 -0.002 0.000 0.335 568 M C 0.401 176.783 176.300 0.136 0.000 1.177 568 M CA -0.389 55.003 55.300 0.153 0.000 1.038 568 M CB 1.476 34.195 32.600 0.199 0.000 1.641 568 M HN -0.010 nan 8.290 nan 0.000 0.455 569 I N 1.684 122.325 120.570 0.118 0.000 2.534 569 I HA 0.413 4.582 4.170 -0.002 0.000 0.288 569 I C -0.312 175.900 176.117 0.157 0.000 1.077 569 I CA -0.716 60.663 61.300 0.133 0.000 1.051 569 I CB 2.671 40.705 38.000 0.057 0.000 1.234 569 I HN 0.625 nan 8.210 nan 0.000 0.425 570 R N 6.762 127.391 120.500 0.216 0.000 2.207 570 R HA 0.565 4.903 4.340 -0.002 0.000 0.334 570 R C -1.152 175.299 176.300 0.251 0.000 1.013 570 R CA -0.487 55.743 56.100 0.216 0.000 0.858 570 R CB 0.719 31.146 30.300 0.213 0.000 1.094 570 R HN 0.449 nan 8.270 nan 0.000 0.457 571 I N 4.020 124.710 120.570 0.199 0.000 2.377 571 I HA 0.344 4.513 4.170 -0.002 0.000 0.293 571 I C -0.167 176.066 176.117 0.193 0.000 0.987 571 I CA -0.451 60.972 61.300 0.205 0.000 1.185 571 I CB 1.591 39.665 38.000 0.124 0.000 1.341 571 I HN 0.654 nan 8.210 nan 0.000 0.455 572 T N 4.681 119.370 114.554 0.226 0.000 2.912 572 T HA 0.766 5.114 4.350 -0.002 0.000 0.299 572 T C -0.561 174.210 174.700 0.118 0.000 1.052 572 T CA -0.654 61.523 62.100 0.128 0.000 0.996 572 T CB 2.313 71.267 68.868 0.145 0.000 1.070 572 T HN 0.707 nan 8.240 nan 0.000 0.465 573 A N 2.270 125.104 122.820 0.024 0.000 2.411 573 A HA 0.688 5.006 4.320 -0.002 0.000 0.285 573 A C -0.775 176.789 177.584 -0.034 0.000 1.129 573 A CA -0.588 51.470 52.037 0.036 0.000 0.736 573 A CB 0.938 19.977 19.000 0.065 0.000 1.186 573 A HN 0.666 nan 8.150 nan 0.000 0.445 574 V N 2.512 122.413 119.914 -0.022 0.000 2.348 574 V HA 0.267 4.386 4.120 -0.002 0.000 0.270 574 V C -0.101 175.993 176.094 0.001 0.000 1.037 574 V CA -0.390 61.891 62.300 -0.031 0.000 0.872 574 V CB 0.415 32.232 31.823 -0.009 0.000 1.002 574 V HN 0.959 nan 8.190 nan 0.000 0.464 575 C N 5.103 124.403 119.300 -0.000 0.000 2.376 575 C HA 0.777 5.235 4.460 -0.002 0.000 0.335 575 C C 0.114 175.118 174.990 0.024 0.000 1.229 575 C CA -1.031 57.992 59.018 0.009 0.000 1.867 575 C CB 0.881 28.625 27.740 0.006 0.000 2.319 575 C HN 0.926 nan 8.230 nan 0.000 0.515 576 K N 1.544 121.960 120.400 0.026 0.000 2.525 576 K HA 0.708 5.026 4.320 -0.002 0.000 0.254 576 K C -1.879 174.735 176.600 0.024 0.000 0.934 576 K CA -0.345 55.963 56.287 0.035 0.000 0.802 576 K CB 1.764 34.297 32.500 0.055 0.000 1.295 576 K HN 0.526 nan 8.250 nan 0.000 0.433 577 V N 4.368 124.295 119.914 0.022 0.000 2.628 577 V HA 0.432 4.551 4.120 -0.002 0.000 0.306 577 V C -2.313 173.787 176.094 0.010 0.000 1.045 577 V CA -2.285 60.023 62.300 0.014 0.000 0.905 577 V CB 1.744 33.574 31.823 0.011 0.000 0.997 577 V HN 0.778 nan 8.190 nan 0.000 0.436 578 P HA 0.163 nan 4.420 nan 0.000 0.265 578 P C -0.193 177.104 177.300 -0.005 0.000 1.193 578 P CA 0.594 63.693 63.100 -0.002 0.000 0.765 578 P CB 0.212 31.910 31.700 -0.003 0.000 0.823 579 D N -0.505 119.887 120.400 -0.012 0.000 3.006 579 D HA -0.157 4.482 4.640 -0.002 0.000 0.205 579 D C -0.204 176.091 176.300 -0.009 0.000 1.075 579 D CA 1.320 55.311 54.000 -0.015 0.000 1.000 579 D CB -1.236 39.557 40.800 -0.012 0.000 1.097 579 D HN 0.549 nan 8.370 nan 0.000 0.426 580 E N -0.502 119.698 120.200 -0.000 0.000 2.343 580 E HA 0.545 4.893 4.350 -0.002 0.000 0.270 580 E C -0.527 176.089 176.600 0.027 0.000 0.895 580 E CA -0.691 55.715 56.400 0.010 0.000 0.767 580 E CB 1.710 31.417 29.700 0.012 0.000 1.248 580 E HN -0.128 nan 8.360 nan 0.000 0.440 581 S N 1.571 117.295 115.700 0.041 0.000 2.584 581 S HA 0.044 4.512 4.470 -0.002 0.000 0.270 581 S C -0.125 174.530 174.600 0.092 0.000 1.346 581 S CA -0.340 57.912 58.200 0.088 0.000 1.018 581 S CB 0.385 63.640 63.200 0.092 0.000 0.899 581 S HN 0.333 nan 8.310 nan 0.000 0.542 582 E N 0.630 120.917 120.200 0.146 0.000 2.422 582 E HA 0.223 4.571 4.350 -0.002 0.000 0.260 582 E C -0.774 175.854 176.600 0.048 0.000 1.108 582 E CA 0.051 56.513 56.400 0.104 0.000 0.943 582 E CB 0.371 30.153 29.700 0.137 0.000 0.961 582 E HN 0.229 nan 8.360 nan 0.000 0.443 583 V N 2.790 122.715 119.914 0.019 0.000 2.378 583 V HA 0.215 4.334 4.120 -0.002 0.000 0.288 583 V C -0.672 175.398 176.094 -0.040 0.000 1.016 583 V CA -0.817 61.479 62.300 -0.007 0.000 0.840 583 V CB 1.581 33.404 31.823 -0.001 0.000 0.994 583 V HN 0.380 nan 8.190 nan 0.000 0.431 584 V N 6.253 126.120 119.914 -0.078 0.000 2.364 584 V HA 0.391 4.510 4.120 -0.002 0.000 0.272 584 V C 0.002 176.019 176.094 -0.128 0.000 1.036 584 V CA -0.456 61.747 62.300 -0.162 0.000 0.880 584 V CB 1.572 33.232 31.823 -0.272 0.000 0.991 584 V HN 0.588 nan 8.190 nan 0.000 0.460 585 V N 6.204 126.052 119.914 -0.110 0.000 2.384 585 V HA 0.523 4.642 4.120 -0.002 0.000 0.287 585 V C 0.028 176.087 176.094 -0.058 0.000 1.020 585 V CA -0.517 61.752 62.300 -0.052 0.000 0.850 585 V CB 1.409 33.228 31.823 -0.008 0.000 0.987 585 V HN 1.040 nan 8.190 nan 0.000 0.436 586 E N 4.919 125.104 120.200 -0.026 0.000 2.369 586 E HA 0.862 5.211 4.350 -0.002 0.000 0.270 586 E C -0.897 175.739 176.600 0.061 0.000 0.909 586 E CA -1.350 55.061 56.400 0.018 0.000 0.775 586 E CB 3.216 32.934 29.700 0.029 0.000 1.270 586 E HN 0.524 nan 8.360 nan 0.000 0.445 587 R N 1.392 121.947 120.500 0.090 0.000 2.678 587 R HA 0.175 4.513 4.340 -0.002 0.000 0.267 587 R C -1.984 174.382 176.300 0.110 0.000 1.173 587 R CA -0.495 55.660 56.100 0.091 0.000 1.061 587 R CB 1.402 31.744 30.300 0.069 0.000 1.262 587 R HN 0.555 nan 8.270 nan 0.000 0.427 588 D N 5.200 125.672 120.400 0.120 0.000 2.249 588 D HA 0.338 4.976 4.640 -0.002 0.000 0.246 588 D C 0.119 176.487 176.300 0.113 0.000 1.114 588 D CA -0.100 53.980 54.000 0.133 0.000 0.854 588 D CB 1.170 42.065 40.800 0.159 0.000 1.132 588 D HN 0.460 nan 8.370 nan 0.000 0.461 589 I N -0.665 119.962 120.570 0.095 0.000 2.648 589 I HA 0.606 4.774 4.170 -0.002 0.000 0.304 589 I C -0.587 175.574 176.117 0.073 0.000 1.009 589 I CA -1.086 60.254 61.300 0.066 0.000 1.114 589 I CB 2.224 40.240 38.000 0.027 0.000 1.293 589 I HN 0.193 nan 8.210 nan 0.000 0.449 590 I N 4.955 125.564 120.570 0.066 0.000 2.465 590 I HA 0.432 4.601 4.170 -0.002 0.000 0.291 590 I C -1.423 174.719 176.117 0.040 0.000 1.014 590 I CA -0.890 60.455 61.300 0.076 0.000 1.093 590 I CB 1.721 39.785 38.000 0.106 0.000 1.267 590 I HN 0.509 nan 8.210 nan 0.000 0.431 591 L N 7.101 128.346 121.223 0.036 0.000 2.275 591 L HA 0.398 4.736 4.340 -0.002 0.000 0.288 591 L C -0.268 176.640 176.870 0.063 0.000 1.046 591 L CA -0.248 54.609 54.840 0.029 0.000 0.805 591 L CB 0.854 42.912 42.059 -0.002 0.000 1.193 591 L HN 0.488 nan 8.230 nan 0.000 0.426 592 D N 2.139 122.570 120.400 0.051 0.000 2.399 592 D HA 0.077 4.716 4.640 -0.002 0.000 0.241 592 D C 0.130 176.471 176.300 0.069 0.000 1.133 592 D CA 0.020 54.047 54.000 0.045 0.000 0.890 592 D CB 0.625 41.437 40.800 0.020 0.000 1.201 592 D HN 0.359 nan 8.370 nan 0.000 0.432 593 N N 1.153 119.887 118.700 0.058 0.000 2.483 593 N HA 0.268 5.006 4.740 -0.002 0.000 0.269 593 N C -2.255 173.242 175.510 -0.022 0.000 1.209 593 N CA -0.984 52.098 53.050 0.054 0.000 0.969 593 N CB 0.259 38.777 38.487 0.051 0.000 1.173 593 N HN 0.073 nan 8.380 nan 0.000 0.475 594 P HA 0.104 nan 4.420 nan 0.000 0.272 594 P C -0.462 176.824 177.300 -0.023 0.000 1.240 594 P CA 0.055 63.072 63.100 -0.139 0.000 0.791 594 P CB 0.319 31.825 31.700 -0.323 0.000 0.978 595 T N 1.877 116.403 114.554 -0.046 0.000 2.901 595 T HA 0.307 4.656 4.350 -0.002 0.000 0.301 595 T C -0.141 174.607 174.700 0.079 0.000 1.012 595 T CA 0.137 62.232 62.100 -0.008 0.000 1.135 595 T CB -0.007 68.831 68.868 -0.051 0.000 0.936 595 T HN 0.175 nan 8.240 nan 0.000 0.539 596 L N 3.369 124.633 121.223 0.069 0.000 2.356 596 L HA 0.687 5.026 4.340 -0.002 0.000 0.277 596 L C -0.170 176.710 176.870 0.017 0.000 0.996 596 L CA -0.111 54.773 54.840 0.074 0.000 0.822 596 L CB 2.060 44.134 42.059 0.024 0.000 1.256 596 L HN 0.681 nan 8.230 nan 0.000 0.413 597 T N 5.446 120.003 114.554 0.004 0.000 2.876 597 T HA 0.699 5.048 4.350 -0.002 0.000 0.289 597 T C -1.053 173.648 174.700 0.002 0.000 1.014 597 T CA -0.497 61.598 62.100 -0.007 0.000 0.986 597 T CB 0.795 69.648 68.868 -0.025 0.000 1.021 597 T HN 0.557 nan 8.240 nan 0.000 0.458 598 L N 3.414 124.640 121.223 0.006 0.000 2.346 598 L HA 0.690 5.028 4.340 -0.002 0.000 0.274 598 L C -0.187 176.673 176.870 -0.017 0.000 1.007 598 L CA -0.789 54.061 54.840 0.018 0.000 0.818 598 L CB 2.004 44.093 42.059 0.050 0.000 1.284 598 L HN 0.696 nan 8.230 nan 0.000 0.424 599 E N 1.741 121.912 120.200 -0.047 0.000 2.275 599 E HA 0.413 4.762 4.350 -0.002 0.000 0.270 599 E C -1.446 175.095 176.600 -0.098 0.000 0.882 599 E CA -0.704 55.658 56.400 -0.064 0.000 0.758 599 E CB 3.190 32.853 29.700 -0.062 0.000 1.195 599 E HN 0.159 nan 8.360 nan 0.000 0.419 600 V N 3.714 123.580 119.914 -0.079 0.000 2.465 600 V HA 0.083 4.202 4.120 -0.002 0.000 0.279 600 V C 0.298 176.343 176.094 -0.082 0.000 1.045 600 V CA -0.324 61.922 62.300 -0.091 0.000 0.938 600 V CB 1.189 32.975 31.823 -0.061 0.000 0.986 600 V HN 0.631 nan 8.190 nan 0.000 0.467 601 L N 4.938 126.105 121.223 -0.094 0.000 2.640 601 L HA 0.334 4.672 4.340 -0.002 0.000 0.230 601 L C 0.577 177.413 176.870 -0.057 0.000 1.123 601 L CA 0.294 55.088 54.840 -0.075 0.000 0.900 601 L CB -1.309 40.698 42.059 -0.087 0.000 1.146 601 L HN 0.938 nan 8.230 nan 0.000 0.484 602 N N -1.642 117.026 118.700 -0.052 0.000 3.020 602 N HA 0.065 4.804 4.740 -0.002 0.000 0.248 602 N C -0.737 174.754 175.510 -0.032 0.000 1.480 602 N CA -0.684 52.343 53.050 -0.038 0.000 0.874 602 N CB 1.216 39.681 38.487 -0.036 0.000 1.433 602 N HN -0.046 nan 8.380 nan 0.000 0.530 603 E N 0.051 120.237 120.200 -0.024 0.000 2.257 603 E HA 0.431 4.780 4.350 -0.002 0.000 0.278 603 E C -0.422 176.169 176.600 -0.016 0.000 1.049 603 E CA -0.496 55.892 56.400 -0.018 0.000 0.876 603 E CB 0.520 30.212 29.700 -0.014 0.000 1.035 603 E HN 0.605 nan 8.360 nan 0.000 0.419 604 A N 5.603 128.414 122.820 -0.014 0.000 2.409 604 A HA 0.349 4.668 4.320 -0.002 0.000 0.267 604 A C -0.253 177.329 177.584 -0.004 0.000 1.127 604 A CA -0.060 51.971 52.037 -0.009 0.000 0.795 604 A CB 0.400 19.396 19.000 -0.008 0.000 1.061 604 A HN 0.719 nan 8.150 nan 0.000 0.502 605 R N 1.067 121.566 120.500 -0.001 0.000 2.725 605 R HA 0.483 4.822 4.340 -0.002 0.000 0.277 605 R C -0.527 175.776 176.300 0.005 0.000 0.987 605 R CA -0.890 55.211 56.100 0.001 0.000 0.901 605 R CB 2.096 32.396 30.300 0.000 0.000 1.207 605 R HN 0.753 nan 8.270 nan 0.000 0.463 606 V N 0.715 120.633 119.914 0.007 0.000 2.788 606 V HA 0.027 4.146 4.120 -0.002 0.000 0.307 606 V C 0.693 176.793 176.094 0.010 0.000 1.069 606 V CA -0.052 62.254 62.300 0.009 0.000 1.173 606 V CB 0.287 32.115 31.823 0.008 0.000 0.925 606 V HN 0.901 nan 8.190 nan 0.000 0.492 607 R N -0.223 120.285 120.500 0.013 0.000 4.016 607 R HA -0.146 4.192 4.340 -0.002 0.000 0.385 607 R C -0.170 176.137 176.300 0.012 0.000 1.158 607 R CA 1.468 57.576 56.100 0.014 0.000 1.117 607 R CB -1.332 28.976 30.300 0.012 0.000 1.635 607 R HN 0.834 nan 8.270 nan 0.000 0.560 608 K N 0.613 121.019 120.400 0.010 0.000 2.270 608 K HA 0.412 4.730 4.320 -0.002 0.000 0.255 608 K C -2.556 174.048 176.600 0.007 0.000 0.936 608 K CA -2.546 53.745 56.287 0.007 0.000 0.809 608 K CB 1.655 34.157 32.500 0.003 0.000 1.131 608 K HN -0.244 nan 8.250 nan 0.000 0.427 609 P HA 0.038 nan 4.420 nan 0.000 0.265 609 P C -0.653 176.644 177.300 -0.006 0.000 1.193 609 P CA -0.163 62.941 63.100 0.005 0.000 0.765 609 P CB 0.519 32.222 31.700 0.005 0.000 0.823 610 V N 4.385 124.293 119.914 -0.010 0.000 2.444 610 V HA 0.235 4.354 4.120 -0.002 0.000 0.294 610 V C -0.045 176.007 176.094 -0.070 0.000 1.022 610 V CA -0.641 61.639 62.300 -0.033 0.000 0.850 610 V CB 1.377 33.185 31.823 -0.024 0.000 0.992 610 V HN 0.466 nan 8.190 nan 0.000 0.426 611 N N 3.549 122.194 118.700 -0.092 0.000 2.430 611 N HA 0.519 5.257 4.740 -0.002 0.000 0.265 611 N C -0.594 174.775 175.510 -0.235 0.000 1.100 611 N CA -0.271 52.692 53.050 -0.145 0.000 0.961 611 N CB 1.575 39.999 38.487 -0.105 0.000 1.075 611 N HN 0.443 nan 8.380 nan 0.000 0.478 612 V N 1.276 120.923 119.914 -0.445 0.000 3.019 612 V HA 0.511 4.629 4.120 -0.002 0.000 0.317 612 V C -0.287 175.397 176.094 -0.685 0.000 1.094 612 V CA -0.818 61.101 62.300 -0.635 0.000 1.000 612 V CB 1.962 33.175 31.823 -1.016 0.000 1.060 612 V HN 0.660 nan 8.190 nan 0.000 0.443 613 Q N 2.151 121.679 119.800 -0.454 0.000 2.289 613 Q HA 0.551 4.889 4.340 -0.002 0.000 0.270 613 Q C -1.534 174.428 176.000 -0.064 0.000 1.038 613 Q CA -0.513 55.153 55.803 -0.229 0.000 0.812 613 Q CB 2.185 30.838 28.738 -0.142 0.000 1.300 613 Q HN 0.815 nan 8.270 nan 0.000 0.427 614 M N 5.875 125.514 119.600 0.065 0.000 2.238 614 M HA 0.492 4.971 4.480 -0.002 0.000 0.350 614 M C -2.007 174.305 176.300 0.020 0.000 1.138 614 M CA -0.619 54.742 55.300 0.100 0.000 1.040 614 M CB 0.738 33.454 32.600 0.193 0.000 1.639 614 M HN 0.728 nan 8.290 nan 0.000 0.451 615 L N 5.787 127.003 121.223 -0.012 0.000 2.385 615 L HA 0.656 4.994 4.340 -0.002 0.000 0.273 615 L C -1.390 175.464 176.870 -0.027 0.000 0.990 615 L CA -0.676 54.144 54.840 -0.035 0.000 0.821 615 L CB 2.119 44.150 42.059 -0.046 0.000 1.279 615 L HN 0.695 nan 8.230 nan 0.000 0.412 616 F N 1.368 121.165 119.950 -0.255 0.000 2.588 616 F HA 0.545 5.071 4.527 -0.002 0.000 0.318 616 F C -0.856 174.811 175.800 -0.222 0.000 1.155 616 F CA -0.288 57.517 58.000 -0.325 0.000 0.967 616 F CB 2.130 40.739 39.000 -0.651 0.000 1.236 616 F HN 0.333 nan 8.300 nan 0.000 0.455 617 S N 4.275 119.351 115.700 -1.040 0.000 2.437 617 S HA 0.279 4.748 4.470 -0.002 0.000 0.305 617 S C -0.801 173.141 174.600 -1.097 0.000 1.109 617 S CA -0.678 57.060 58.200 -0.770 0.000 1.099 617 S CB 1.030 63.963 63.200 -0.445 0.000 1.004 617 S HN 0.616 nan 8.310 nan 0.000 0.475 618 N N 4.223 122.588 118.700 -0.558 0.000 2.401 618 N HA 0.227 4.965 4.740 -0.002 0.000 0.255 618 N C -1.401 174.035 175.510 -0.122 0.000 1.110 618 N CA -2.064 50.860 53.050 -0.211 0.000 0.949 618 N CB 0.916 39.474 38.487 0.118 0.000 1.110 618 N HN 0.242 nan 8.380 nan 0.000 0.490 619 P HA -0.028 nan 4.420 nan 0.000 0.236 619 P C 0.187 177.478 177.300 -0.015 0.000 1.177 619 P CA 0.480 63.540 63.100 -0.066 0.000 0.773 619 P CB 0.485 32.138 31.700 -0.078 0.000 0.878 620 L N 0.476 121.735 121.223 0.060 0.000 2.472 620 L HA 0.152 4.490 4.340 -0.002 0.000 0.260 620 L C 1.388 178.257 176.870 -0.003 0.000 1.209 620 L CA -0.138 54.700 54.840 -0.003 0.000 0.817 620 L CB 0.075 42.159 42.059 0.041 0.000 1.106 620 L HN -0.243 nan 8.230 nan 0.000 0.479 621 D N -0.001 120.390 120.400 -0.015 0.000 2.340 621 D HA 0.011 4.650 4.640 -0.002 0.000 0.220 621 D C 0.378 176.690 176.300 0.021 0.000 1.039 621 D CA 0.381 54.383 54.000 0.002 0.000 0.866 621 D CB 0.324 41.125 40.800 0.002 0.000 0.913 621 D HN 0.613 nan 8.370 nan 0.000 0.523 622 E N -0.014 120.206 120.200 0.034 0.000 2.359 622 E HA 0.573 4.922 4.350 -0.002 0.000 0.266 622 E C -3.035 173.601 176.600 0.059 0.000 0.920 622 E CA -2.303 54.121 56.400 0.041 0.000 0.788 622 E CB 2.242 31.966 29.700 0.040 0.000 1.279 622 E HN -0.280 nan 8.360 nan 0.000 0.438 623 P HA 0.120 nan 4.420 nan 0.000 0.276 623 P C -0.797 176.562 177.300 0.097 0.000 1.244 623 P CA -0.577 62.571 63.100 0.081 0.000 0.801 623 P CB 0.894 32.630 31.700 0.060 0.000 1.006 624 V N -0.434 119.570 119.914 0.149 0.000 2.459 624 V HA 0.684 4.802 4.120 -0.002 0.000 0.295 624 V C -0.154 176.011 176.094 0.117 0.000 1.029 624 V CA -0.714 61.680 62.300 0.156 0.000 0.874 624 V CB 1.572 33.584 31.823 0.315 0.000 0.985 624 V HN 0.412 nan 8.190 nan 0.000 0.438 625 R N 1.515 122.047 120.500 0.054 0.000 2.960 625 R HA 0.588 4.927 4.340 -0.002 0.000 0.249 625 R C -0.690 175.597 176.300 -0.022 0.000 1.192 625 R CA -0.691 55.424 56.100 0.024 0.000 1.035 625 R CB 0.657 30.963 30.300 0.010 0.000 1.234 625 R HN 0.814 nan 8.270 nan 0.000 0.493 626 D N -0.072 120.309 120.400 -0.032 0.000 2.708 626 D HA -0.159 4.480 4.640 -0.002 0.000 0.236 626 D C -0.729 175.491 176.300 -0.132 0.000 1.146 626 D CA 0.591 54.550 54.000 -0.068 0.000 0.662 626 D CB -1.631 39.127 40.800 -0.070 0.000 1.059 626 D HN 0.383 nan 8.370 nan 0.000 0.428 627 C N 0.586 119.812 119.300 -0.123 0.000 2.576 627 C HA 0.451 4.909 4.460 -0.002 0.000 0.401 627 C C 1.021 175.861 174.990 -0.251 0.000 1.314 627 C CA -0.675 58.182 59.018 -0.268 0.000 1.855 627 C CB 0.578 28.302 27.740 -0.028 0.000 2.537 627 C HN 0.181 nan 8.230 nan 0.000 0.578 628 V N 5.415 125.072 119.914 -0.428 0.000 2.709 628 V HA 0.497 4.616 4.120 -0.002 0.000 0.308 628 V C -0.397 175.551 176.094 -0.244 0.000 1.062 628 V CA -0.508 61.640 62.300 -0.254 0.000 0.901 628 V CB 1.824 33.514 31.823 -0.220 0.000 1.003 628 V HN 0.778 nan 8.190 nan 0.000 0.425 629 L N 5.518 126.698 121.223 -0.072 0.000 2.333 629 L HA 0.693 5.032 4.340 -0.002 0.000 0.280 629 L C -1.000 175.812 176.870 -0.097 0.000 1.004 629 L CA -0.417 54.424 54.840 0.003 0.000 0.820 629 L CB 1.653 43.766 42.059 0.091 0.000 1.247 629 L HN 0.675 nan 8.230 nan 0.000 0.416 630 M N 5.592 125.126 119.600 -0.110 0.000 2.259 630 M HA 0.516 4.995 4.480 -0.002 0.000 0.304 630 M C -1.191 175.016 176.300 -0.154 0.000 1.019 630 M CA -0.708 54.505 55.300 -0.145 0.000 0.922 630 M CB 2.257 34.770 32.600 -0.144 0.000 1.600 630 M HN 0.244 nan 8.290 nan 0.000 0.433 631 V N 2.467 122.261 119.914 -0.201 0.000 2.789 631 V HA 0.692 4.811 4.120 -0.002 0.000 0.311 631 V C -0.611 175.396 176.094 -0.146 0.000 1.073 631 V CA -0.552 61.629 62.300 -0.198 0.000 0.921 631 V CB 2.341 33.940 31.823 -0.374 0.000 1.009 631 V HN 0.985 nan 8.190 nan 0.000 0.426 632 E N 2.051 122.190 120.200 -0.101 0.000 2.429 632 E HA 0.785 5.134 4.350 -0.002 0.000 0.280 632 E C -0.669 175.896 176.600 -0.058 0.000 1.068 632 E CA -0.925 55.428 56.400 -0.077 0.000 0.837 632 E CB 2.290 31.933 29.700 -0.095 0.000 1.357 632 E HN 1.175 nan 8.360 nan 0.000 0.455 633 G N 0.701 109.477 108.800 -0.040 0.000 1.843 633 G HA2 0.266 4.225 3.960 -0.002 0.000 0.278 633 G HA3 0.266 4.225 3.960 -0.002 0.000 0.278 633 G C -0.945 173.958 174.900 0.006 0.000 1.708 633 G CA -0.638 44.447 45.100 -0.025 0.000 0.918 633 G HN 0.399 nan 8.290 nan 0.000 0.661 634 S N 0.352 116.062 115.700 0.016 0.000 2.544 634 S HA 0.432 4.900 4.470 -0.002 0.000 0.290 634 S C 1.644 176.283 174.600 0.064 0.000 1.276 634 S CA 1.672 59.906 58.200 0.058 0.000 1.075 634 S CB 1.060 64.319 63.200 0.099 0.000 0.849 634 S HN 2.369 nan 8.310 nan 0.000 0.494 635 G N 2.120 110.958 108.800 0.063 0.000 2.217 635 G HA2 -0.226 3.732 3.960 -0.002 0.000 0.246 635 G HA3 -0.226 3.732 3.960 -0.002 0.000 0.246 635 G C 0.545 175.469 174.900 0.041 0.000 0.990 635 G CA 0.351 45.481 45.100 0.051 0.000 0.627 635 G HN 0.582 nan 8.290 nan 0.000 0.522 636 L N -0.038 121.209 121.223 0.041 0.000 2.362 636 L HA 0.490 4.829 4.340 -0.002 0.000 0.204 636 L C 0.991 177.891 176.870 0.049 0.000 1.060 636 L CA 0.702 55.568 54.840 0.043 0.000 0.827 636 L CB 0.000 42.087 42.059 0.047 0.000 1.027 636 L HN 0.423 nan 8.230 nan 0.000 0.474 637 L N -1.994 119.255 121.223 0.043 0.000 2.540 637 L HA 0.463 4.802 4.340 -0.002 0.000 0.256 637 L C -1.072 175.816 176.870 0.029 0.000 1.001 637 L CA -0.758 54.105 54.840 0.040 0.000 0.843 637 L CB 1.389 43.475 42.059 0.044 0.000 1.436 637 L HN -0.102 nan 8.230 nan 0.000 0.410 638 L N 2.389 123.629 121.223 0.028 0.000 2.313 638 L HA 0.625 4.964 4.340 -0.002 0.000 0.282 638 L C 1.271 178.150 176.870 0.015 0.000 1.092 638 L CA 0.770 55.627 54.840 0.027 0.000 0.831 638 L CB 0.490 42.567 42.059 0.030 0.000 1.159 638 L HN 1.128 nan 8.230 nan 0.000 0.442 639 G N 3.736 112.545 108.800 0.014 0.000 2.539 639 G HA2 -0.296 3.663 3.960 -0.002 0.000 0.256 639 G HA3 -0.296 3.663 3.960 -0.002 0.000 0.256 639 G C -0.467 174.422 174.900 -0.018 0.000 1.233 639 G CA -0.185 44.917 45.100 0.003 0.000 0.936 639 G HN 0.772 nan 8.290 nan 0.000 0.571 640 N N 0.104 118.788 118.700 -0.026 0.000 2.342 640 N HA 0.488 5.227 4.740 -0.002 0.000 0.293 640 N C -0.766 174.701 175.510 -0.071 0.000 1.026 640 N CA -0.620 52.398 53.050 -0.053 0.000 0.857 640 N CB 1.507 39.968 38.487 -0.044 0.000 1.256 640 N HN 0.651 nan 8.380 nan 0.000 0.484 641 L N 3.151 124.306 121.223 -0.114 0.000 2.264 641 L HA 0.359 4.698 4.340 -0.002 0.000 0.289 641 L C -0.125 176.647 176.870 -0.163 0.000 1.044 641 L CA -0.495 54.258 54.840 -0.145 0.000 0.807 641 L CB 0.654 42.575 42.059 -0.228 0.000 1.192 641 L HN 0.537 nan 8.230 nan 0.000 0.425 642 K N 6.359 126.687 120.400 -0.121 0.000 2.244 642 K HA 0.602 4.921 4.320 -0.002 0.000 0.260 642 K C -1.408 175.134 176.600 -0.096 0.000 0.951 642 K CA -0.572 55.647 56.287 -0.113 0.000 0.826 642 K CB 1.436 33.882 32.500 -0.091 0.000 1.108 642 K HN 0.594 nan 8.250 nan 0.000 0.433 643 I N 3.334 123.849 120.570 -0.091 0.000 2.499 643 I HA 0.167 4.336 4.170 -0.002 0.000 0.288 643 I C -0.747 175.354 176.117 -0.027 0.000 1.048 643 I CA -0.978 60.292 61.300 -0.051 0.000 1.062 643 I CB 2.043 40.017 38.000 -0.044 0.000 1.238 643 I HN 0.535 nan 8.210 nan 0.000 0.426 644 D N 5.766 126.156 120.400 -0.017 0.000 2.304 644 D HA 0.319 4.958 4.640 -0.002 0.000 0.250 644 D C -0.439 175.878 176.300 0.028 0.000 1.107 644 D CA 0.076 54.070 54.000 -0.011 0.000 0.885 644 D CB 2.322 43.113 40.800 -0.014 0.000 1.192 644 D HN 0.034 nan 8.370 nan 0.000 0.436 645 V N 4.541 124.484 119.914 0.049 0.000 2.555 645 V HA 0.322 4.441 4.120 -0.002 0.000 0.302 645 V C -1.877 174.271 176.094 0.090 0.000 1.038 645 V CA -1.498 60.866 62.300 0.106 0.000 0.887 645 V CB 1.921 33.883 31.823 0.231 0.000 0.991 645 V HN 0.468 nan 8.190 nan 0.000 0.434 646 P HA 0.106 nan 4.420 nan 0.000 0.272 646 P C -0.015 177.342 177.300 0.094 0.000 1.240 646 P CA -0.153 62.989 63.100 0.071 0.000 0.791 646 P CB 0.302 32.037 31.700 0.059 0.000 0.978 647 T N 1.448 116.046 114.554 0.074 0.000 2.905 647 T HA 0.050 4.399 4.350 -0.002 0.000 0.299 647 T C 0.265 175.030 174.700 0.108 0.000 1.024 647 T CA 0.440 62.592 62.100 0.086 0.000 1.151 647 T CB -0.319 68.584 68.868 0.059 0.000 0.987 647 T HN 0.244 nan 8.240 nan 0.000 0.535 648 L N 4.385 125.698 121.223 0.150 0.000 2.280 648 L HA 0.637 4.975 4.340 -0.002 0.000 0.287 648 L C 0.658 177.603 176.870 0.125 0.000 1.023 648 L CA -0.104 54.828 54.840 0.153 0.000 0.819 648 L CB 0.730 42.933 42.059 0.240 0.000 1.212 648 L HN 0.709 nan 8.230 nan 0.000 0.420 649 G N 4.755 113.604 108.800 0.081 0.000 2.684 649 G HA2 0.328 4.287 3.960 -0.002 0.000 0.255 649 G HA3 0.328 4.287 3.960 -0.002 0.000 0.255 649 G C -2.628 172.305 174.900 0.056 0.000 1.219 649 G CA -1.117 44.019 45.100 0.060 0.000 0.901 649 G HN 0.558 nan 8.290 nan 0.000 0.548 650 P HA 0.095 nan 4.420 nan 0.000 0.264 650 P C -0.127 177.175 177.300 0.003 0.000 1.193 650 P CA 0.162 63.280 63.100 0.029 0.000 0.763 650 P CB 0.625 32.337 31.700 0.020 0.000 0.810 651 K N -0.295 120.095 120.400 -0.016 0.000 3.426 651 K HA -0.194 4.124 4.320 -0.002 0.000 0.315 651 K C 0.160 176.726 176.600 -0.057 0.000 1.293 651 K CA 1.156 57.413 56.287 -0.050 0.000 0.955 651 K CB -1.997 30.480 32.500 -0.040 0.000 1.238 651 K HN 0.497 nan 8.250 nan 0.000 0.441 652 E N 1.012 121.190 120.200 -0.036 0.000 2.312 652 E HA 0.326 4.675 4.350 -0.002 0.000 0.259 652 E C 0.274 176.835 176.600 -0.066 0.000 1.122 652 E CA -0.534 55.847 56.400 -0.032 0.000 0.922 652 E CB 1.106 30.810 29.700 0.006 0.000 1.109 652 E HN 0.248 nan 8.360 nan 0.000 0.442 653 R N 0.072 120.538 120.500 -0.056 0.000 2.599 653 R HA 0.331 4.670 4.340 -0.002 0.000 0.295 653 R C -0.818 175.468 176.300 -0.025 0.000 0.963 653 R CA -0.383 55.668 56.100 -0.081 0.000 0.883 653 R CB 1.475 31.720 30.300 -0.092 0.000 1.171 653 R HN 0.398 nan 8.270 nan 0.000 0.450 654 S N 3.261 118.955 115.700 -0.010 0.000 2.442 654 S HA 0.398 4.867 4.470 -0.002 0.000 0.297 654 S C -0.672 173.929 174.600 0.002 0.000 1.131 654 S CA -0.724 57.493 58.200 0.028 0.000 1.092 654 S CB 0.645 63.886 63.200 0.068 0.000 0.998 654 S HN 0.585 nan 8.310 nan 0.000 0.478 655 R N 4.337 124.845 120.500 0.015 0.000 2.388 655 R HA 0.484 4.823 4.340 -0.002 0.000 0.314 655 R C -1.701 174.622 176.300 0.038 0.000 0.959 655 R CA -0.405 55.702 56.100 0.010 0.000 0.851 655 R CB 1.497 31.795 30.300 -0.003 0.000 1.168 655 R HN 0.534 nan 8.270 nan 0.000 0.472 656 V N 4.915 124.866 119.914 0.063 0.000 2.409 656 V HA 0.486 4.605 4.120 -0.002 0.000 0.291 656 V C 0.244 176.421 176.094 0.138 0.000 1.020 656 V CA -0.785 61.584 62.300 0.114 0.000 0.848 656 V CB 1.967 33.885 31.823 0.159 0.000 0.990 656 V HN 0.578 nan 8.190 nan 0.000 0.430 657 R N 3.784 124.348 120.500 0.108 0.000 2.604 657 R HA 0.824 5.163 4.340 -0.002 0.000 0.287 657 R C -1.217 175.182 176.300 0.166 0.000 0.970 657 R CA -0.416 55.705 56.100 0.036 0.000 0.946 657 R CB 1.918 32.206 30.300 -0.020 0.000 1.127 657 R HN 0.732 nan 8.270 nan 0.000 0.473 658 F N -1.209 118.742 119.950 0.001 0.000 2.719 658 F HA 0.461 4.987 4.527 -0.001 0.000 0.309 658 F C -1.656 174.144 175.800 -0.001 0.000 1.138 658 F CA -1.342 56.659 58.000 0.001 0.000 0.943 658 F CB 1.309 40.311 39.000 0.003 0.000 1.304 658 F HN 0.236 nan 8.300 nan 0.000 0.445 659 D N 2.562 123.069 120.400 0.178 0.000 2.252 659 D HA 0.689 5.328 4.640 -0.002 0.000 0.245 659 D C -0.346 176.061 176.300 0.179 0.000 1.009 659 D CA -0.150 53.896 54.000 0.076 0.000 0.870 659 D CB 2.466 43.291 40.800 0.042 0.000 1.251 659 D HN 0.835 nan 8.370 nan 0.000 0.460 660 I N -2.088 118.549 120.570 0.112 0.000 3.002 660 I HA 0.647 4.815 4.170 -0.002 0.000 0.310 660 I C -1.341 174.813 176.117 0.062 0.000 1.087 660 I CA -1.218 60.154 61.300 0.119 0.000 1.017 660 I CB 2.191 40.275 38.000 0.140 0.000 1.226 660 I HN 0.074 nan 8.210 nan 0.000 0.443 661 L N 4.850 126.106 121.223 0.054 0.000 2.454 661 L HA 0.635 4.973 4.340 -0.002 0.000 0.258 661 L C -2.617 174.273 176.870 0.034 0.000 1.025 661 L CA -1.741 53.121 54.840 0.037 0.000 0.901 661 L CB 0.868 42.948 42.059 0.034 0.000 1.210 661 L HN 0.397 nan 8.230 nan 0.000 0.457 662 P HA 0.115 nan 4.420 nan 0.000 0.262 662 P C 0.207 177.522 177.300 0.024 0.000 1.182 662 P CA 0.342 63.458 63.100 0.027 0.000 0.761 662 P CB 0.723 32.435 31.700 0.021 0.000 0.795 663 S N 2.882 118.598 115.700 0.026 0.000 2.502 663 S HA 0.137 4.606 4.470 -0.002 0.000 0.215 663 S C 0.678 175.288 174.600 0.017 0.000 1.009 663 S CA -0.127 58.087 58.200 0.024 0.000 0.908 663 S CB 0.290 63.509 63.200 0.030 0.000 0.801 663 S HN 0.400 nan 8.310 nan 0.000 0.505 664 R N 1.699 122.209 120.500 0.016 0.000 2.686 664 R HA 0.523 4.862 4.340 -0.002 0.000 0.283 664 R C -0.836 175.469 176.300 0.008 0.000 0.978 664 R CA -0.245 55.858 56.100 0.006 0.000 0.897 664 R CB 1.890 32.191 30.300 0.001 0.000 1.192 664 R HN 0.335 nan 8.270 nan 0.000 0.457 665 S N 1.541 117.243 115.700 0.003 0.000 2.652 665 S HA 0.881 5.350 4.470 -0.002 0.000 0.270 665 S C 0.398 175.002 174.600 0.007 0.000 1.243 665 S CA 0.210 58.413 58.200 0.005 0.000 0.999 665 S CB 1.658 64.860 63.200 0.004 0.000 0.973 665 S HN 1.117 nan 8.310 nan 0.000 0.544 666 G N 0.046 108.851 108.800 0.009 0.000 2.373 666 G HA2 0.100 4.058 3.960 -0.002 0.000 0.634 666 G HA3 0.100 4.058 3.960 -0.002 0.000 0.634 666 G C -0.684 174.225 174.900 0.014 0.000 1.267 666 G CA -0.588 44.520 45.100 0.012 0.000 1.008 666 G HN 0.970 nan 8.290 nan 0.000 0.497 667 T N 2.710 117.273 114.554 0.016 0.000 2.727 667 T HA 0.528 4.876 4.350 -0.002 0.000 0.295 667 T C 0.291 175.003 174.700 0.021 0.000 0.915 667 T CA -0.078 62.031 62.100 0.015 0.000 1.066 667 T CB 0.659 69.535 68.868 0.013 0.000 0.891 667 T HN 0.541 nan 8.240 nan 0.000 0.516 668 K N 2.630 123.041 120.400 0.019 0.000 2.258 668 K HA 0.467 4.785 4.320 -0.002 0.000 0.236 668 K C -0.283 176.325 176.600 0.013 0.000 1.008 668 K CA -0.910 55.390 56.287 0.023 0.000 0.869 668 K CB 1.567 34.083 32.500 0.025 0.000 1.171 668 K HN 0.524 nan 8.250 nan 0.000 0.447 669 Q N 1.470 121.275 119.800 0.008 0.000 2.327 669 Q HA 0.357 4.695 4.340 -0.002 0.000 0.270 669 Q C -1.522 174.471 176.000 -0.011 0.000 1.022 669 Q CA -0.836 54.963 55.803 -0.008 0.000 0.773 669 Q CB 1.314 30.037 28.738 -0.024 0.000 1.251 669 Q HN 0.411 nan 8.270 nan 0.000 0.457 670 L N 5.337 126.560 121.223 -0.000 0.000 2.289 670 L HA 0.532 4.871 4.340 -0.002 0.000 0.285 670 L C -1.631 175.235 176.870 -0.006 0.000 1.049 670 L CA -0.134 54.714 54.840 0.013 0.000 0.804 670 L CB 1.060 43.151 42.059 0.054 0.000 1.195 670 L HN 0.672 nan 8.230 nan 0.000 0.428 671 L N 5.032 126.237 121.223 -0.030 0.000 2.354 671 L HA 0.941 5.280 4.340 -0.002 0.000 0.269 671 L C -0.460 176.382 176.870 -0.046 0.000 1.005 671 L CA -0.732 54.078 54.840 -0.051 0.000 0.819 671 L CB 1.845 43.842 42.059 -0.103 0.000 1.311 671 L HN 0.758 nan 8.230 nan 0.000 0.423 672 A N 1.303 124.103 122.820 -0.034 0.000 2.515 672 A HA 0.662 4.981 4.320 -0.002 0.000 0.298 672 A C -1.813 175.757 177.584 -0.024 0.000 1.059 672 A CA -0.468 51.551 52.037 -0.030 0.000 0.698 672 A CB 2.002 21.010 19.000 0.013 0.000 1.289 672 A HN 0.743 nan 8.150 nan 0.000 0.404 673 D N 0.128 120.510 120.400 -0.031 0.000 2.649 673 D HA 0.594 5.232 4.640 -0.002 0.000 0.249 673 D C -1.597 174.710 176.300 0.013 0.000 1.112 673 D CA -0.100 53.884 54.000 -0.027 0.000 0.850 673 D CB 1.030 41.782 40.800 -0.081 0.000 1.399 673 D HN 0.333 nan 8.370 nan 0.000 0.503 674 F N 3.147 123.012 119.950 -0.142 0.000 2.460 674 F HA 0.574 5.100 4.527 -0.002 0.000 0.341 674 F C -1.206 174.487 175.800 -0.179 0.000 1.130 674 F CA -0.430 57.458 58.000 -0.186 0.000 0.962 674 F CB 1.521 40.353 39.000 -0.280 0.000 1.171 674 F HN 0.225 nan 8.300 nan 0.000 0.436 675 S N 4.991 120.263 115.700 -0.712 0.000 2.513 675 S HA 0.800 5.269 4.470 -0.002 0.000 0.299 675 S C -0.973 173.225 174.600 -0.670 0.000 1.087 675 S CA -0.542 57.350 58.200 -0.514 0.000 1.012 675 S CB 1.187 64.210 63.200 -0.294 0.000 1.044 675 S HN 0.893 nan 8.310 nan 0.000 0.485 676 C N 1.887 120.960 119.300 -0.378 0.000 3.332 676 C HA 0.581 5.040 4.460 -0.002 0.000 0.329 676 C C 1.494 176.420 174.990 -0.105 0.000 1.434 676 C CA -0.920 57.949 59.018 -0.248 0.000 1.314 676 C CB 0.703 28.344 27.740 -0.165 0.000 1.664 676 C HN 0.879 nan 8.230 nan 0.000 0.457 677 N N 1.527 120.182 118.700 -0.075 0.000 2.149 677 N HA -0.185 4.554 4.740 -0.002 0.000 0.188 677 N C 1.020 176.473 175.510 -0.093 0.000 1.019 677 N CA 1.717 54.726 53.050 -0.068 0.000 0.857 677 N CB -0.345 38.109 38.487 -0.055 0.000 0.997 677 N HN 0.763 nan 8.380 nan 0.000 0.426 678 K N -0.625 119.690 120.400 -0.143 0.000 2.356 678 K HA 0.143 4.462 4.320 -0.002 0.000 0.195 678 K C -0.224 176.040 176.600 -0.561 0.000 1.037 678 K CA 0.135 56.209 56.287 -0.355 0.000 1.014 678 K CB 0.339 32.550 32.500 -0.482 0.000 0.815 678 K HN 0.246 nan 8.250 nan 0.000 0.507 679 F N 2.728 122.721 119.950 0.072 0.000 2.824 679 F HA 0.248 4.774 4.527 -0.002 0.000 0.375 679 F C -2.388 173.404 175.800 -0.015 0.000 1.190 679 F CA -2.150 55.892 58.000 0.069 0.000 1.180 679 F CB 1.855 40.920 39.000 0.108 0.000 1.477 679 F HN -0.178 nan 8.300 nan 0.000 0.542 680 P HA 0.228 nan 4.420 nan 0.000 0.279 680 P C 0.047 177.383 177.300 0.061 0.000 1.239 680 P CA 0.087 63.217 63.100 0.050 0.000 0.789 680 P CB 1.784 33.519 31.700 0.057 0.000 0.933 681 A N 2.977 125.790 122.820 -0.011 0.000 2.466 681 A HA -0.186 4.133 4.320 -0.002 0.000 0.295 681 A C 0.351 177.951 177.584 0.026 0.000 1.465 681 A CA 0.346 52.379 52.037 -0.006 0.000 0.744 681 A CB -2.536 16.472 19.000 0.013 0.000 1.098 681 A HN 0.480 nan 8.150 nan 0.000 0.402 682 I N 1.004 121.593 120.570 0.032 0.000 2.529 682 I HA 0.220 4.389 4.170 -0.002 0.000 0.284 682 I C 0.610 176.740 176.117 0.022 0.000 1.082 682 I CA -0.142 61.179 61.300 0.035 0.000 1.406 682 I CB 0.820 38.828 38.000 0.014 0.000 1.405 682 I HN 0.269 nan 8.210 nan 0.000 0.548 683 K N 5.252 125.655 120.400 0.005 0.000 2.156 683 K HA 0.851 5.170 4.320 -0.002 0.000 0.254 683 K C -0.849 175.746 176.600 -0.009 0.000 0.950 683 K CA -0.716 55.567 56.287 -0.008 0.000 0.849 683 K CB 2.202 34.685 32.500 -0.029 0.000 1.100 683 K HN 0.667 nan 8.250 nan 0.000 0.434 684 A N 2.131 124.944 122.820 -0.010 0.000 2.515 684 A HA 0.806 5.125 4.320 -0.002 0.000 0.298 684 A C -1.237 176.336 177.584 -0.017 0.000 1.059 684 A CA -0.780 51.252 52.037 -0.008 0.000 0.698 684 A CB 1.798 20.804 19.000 0.010 0.000 1.289 684 A HN 0.749 nan 8.150 nan 0.000 0.404 685 M N 2.417 122.005 119.600 -0.020 0.000 2.378 685 M HA 0.713 5.192 4.480 -0.002 0.000 0.289 685 M C -2.591 173.699 176.300 -0.016 0.000 1.136 685 M CA -0.842 54.442 55.300 -0.026 0.000 0.917 685 M CB 1.854 34.426 32.600 -0.046 0.000 1.669 685 M HN 0.805 nan 8.290 nan 0.000 0.461 686 L N 3.533 124.751 121.223 -0.009 0.000 2.476 686 L HA 0.538 4.877 4.340 -0.002 0.000 0.269 686 L C -1.223 175.643 176.870 -0.006 0.000 0.965 686 L CA 0.151 54.988 54.840 -0.006 0.000 0.845 686 L CB 2.256 44.318 42.059 0.004 0.000 1.259 686 L HN 0.773 nan 8.230 nan 0.000 0.403 687 S N 5.507 121.201 115.700 -0.009 0.000 2.523 687 S HA 0.695 5.164 4.470 -0.002 0.000 0.275 687 S C -0.366 174.232 174.600 -0.004 0.000 1.281 687 S CA -0.326 57.870 58.200 -0.006 0.000 1.050 687 S CB -0.004 63.192 63.200 -0.007 0.000 0.937 687 S HN 0.511 nan 8.310 nan 0.000 0.492 688 I N 4.086 124.656 120.570 0.001 0.000 2.447 688 I HA 0.291 4.460 4.170 -0.002 0.000 0.287 688 I C -0.862 175.257 176.117 0.003 0.000 1.023 688 I CA -0.797 60.503 61.300 0.000 0.000 1.083 688 I CB 1.948 39.951 38.000 0.004 0.000 1.245 688 I HN 0.478 nan 8.210 nan 0.000 0.434 689 D N 6.715 127.115 120.400 0.000 0.000 2.339 689 D HA 0.198 4.837 4.640 -0.002 0.000 0.241 689 D C -0.261 176.040 176.300 0.002 0.000 1.183 689 D CA -0.020 53.981 54.000 0.002 0.000 0.859 689 D CB 1.994 42.794 40.800 0.000 0.000 1.067 689 D HN 0.054 nan 8.370 nan 0.000 0.484 690 V N 2.422 122.339 119.914 0.006 0.000 2.364 690 V HA 0.454 4.573 4.120 -0.002 0.000 0.272 690 V C 0.772 176.869 176.094 0.005 0.000 1.036 690 V CA -0.745 61.558 62.300 0.006 0.000 0.880 690 V CB 1.003 32.831 31.823 0.010 0.000 0.991 690 V HN 0.583 nan 8.190 nan 0.000 0.460 691 A N 4.145 126.967 122.820 0.003 0.000 2.257 691 A HA 0.666 4.985 4.320 -0.002 0.000 0.289 691 A C 0.154 177.740 177.584 0.003 0.000 1.095 691 A CA -0.393 51.645 52.037 0.003 0.000 0.836 691 A CB 0.618 19.619 19.000 0.001 0.000 1.111 691 A HN 0.793 nan 8.150 nan 0.000 0.497 692 E N 0.000 120.202 120.200 0.004 0.000 2.725 692 E HA 0.000 4.349 4.350 -0.002 0.000 0.291 692 E CA 0.000 56.402 56.400 0.004 0.000 0.976 692 E CB 0.000 29.703 29.700 0.004 0.000 0.812 692 E HN 0.000 nan 8.360 nan 0.000 0.440