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 1l9m_1_A 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 TGGRDPRSWD 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 VFQKALGKLK PXXXXXXXXX XXXXXXXXEP 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 -0.014 0.000 1.274 1 A CA 0.000 52.030 52.037 -0.012 0.000 0.836 1 A CB 0.000 18.992 19.000 -0.013 0.000 0.831 2 A N 0.592 123.401 122.820 -0.018 0.000 2.351 2 A HA 0.594 4.906 4.320 -0.014 0.000 0.257 2 A C 0.223 177.792 177.584 -0.025 0.000 1.087 2 A CA -0.247 51.778 52.037 -0.021 0.000 0.798 2 A CB 0.113 19.096 19.000 -0.028 0.000 1.033 2 A HN 2.049 nan 8.150 nan 0.000 0.488 3 L N 1.704 122.912 121.223 -0.024 0.000 2.499 3 L HA 0.482 4.814 4.340 -0.014 0.000 0.273 3 L C 0.557 177.401 176.870 -0.044 0.000 1.195 3 L CA 1.562 56.385 54.840 -0.029 0.000 0.882 3 L CB 0.120 42.167 42.059 -0.021 0.000 1.133 3 L HN 0.881 nan 8.230 nan 0.000 0.483 4 G N 3.653 112.426 108.800 -0.045 0.000 2.677 4 G HA2 0.528 4.480 3.960 -0.014 0.000 0.291 4 G HA3 0.528 4.480 3.960 -0.014 0.000 0.291 4 G C -1.810 173.057 174.900 -0.055 0.000 1.435 4 G CA -0.697 44.370 45.100 -0.055 0.000 0.826 4 G HN 0.472 nan 8.290 nan 0.000 0.491 5 V N 1.296 121.172 119.914 -0.063 0.000 2.461 5 V HA 0.201 4.313 4.120 -0.014 0.000 0.275 5 V C 0.955 177.023 176.094 -0.044 0.000 1.047 5 V CA 0.019 62.282 62.300 -0.061 0.000 0.955 5 V CB 1.342 33.120 31.823 -0.076 0.000 0.988 5 V HN 0.886 nan 8.190 nan 0.000 0.471 6 Q N 2.547 122.323 119.800 -0.040 0.000 2.259 6 Q HA 0.157 4.489 4.340 -0.014 0.000 0.201 6 Q C 0.480 176.465 176.000 -0.025 0.000 0.938 6 Q CA 0.860 56.645 55.803 -0.029 0.000 0.872 6 Q CB 0.877 29.600 28.738 -0.025 0.000 0.971 6 Q HN 0.899 nan 8.270 nan 0.000 0.494 7 S N -0.793 114.883 115.700 -0.040 0.000 2.597 7 S HA 0.504 4.965 4.470 -0.014 0.000 0.274 7 S C -1.430 173.114 174.600 -0.092 0.000 1.132 7 S CA -1.010 57.165 58.200 -0.041 0.000 0.835 7 S CB 1.206 64.392 63.200 -0.024 0.000 1.092 7 S HN 0.201 nan 8.310 nan 0.000 0.457 8 I N 1.922 122.413 120.570 -0.130 0.000 2.465 8 I HA 0.612 4.774 4.170 -0.014 0.000 0.291 8 I C -1.189 174.736 176.117 -0.319 0.000 1.014 8 I CA -0.461 60.650 61.300 -0.315 0.000 1.093 8 I CB 1.705 39.377 38.000 -0.547 0.000 1.267 8 I HN 0.803 nan 8.210 nan 0.000 0.431 9 N N 6.713 125.237 118.700 -0.294 0.000 2.511 9 N HA 0.188 4.920 4.740 -0.014 0.000 0.249 9 N C -0.440 174.991 175.510 -0.131 0.000 0.971 9 N CA -0.444 52.530 53.050 -0.127 0.000 0.938 9 N CB 0.633 39.088 38.487 -0.053 0.000 1.131 9 N HN 0.709 nan 8.380 nan 0.000 0.505 10 W N 1.885 123.234 121.300 0.082 0.000 3.077 10 W HA 0.130 4.783 4.660 -0.012 0.000 0.245 10 W C 0.731 177.315 176.519 0.108 0.000 1.316 10 W CA -0.241 57.166 57.345 0.103 0.000 1.537 10 W CB -0.118 29.398 29.460 0.093 0.000 1.131 10 W HN 0.497 nan 8.180 nan 0.000 0.695 11 Q N -0.174 119.782 119.800 0.259 0.000 2.406 11 Q HA -0.271 4.061 4.340 -0.014 0.000 0.339 11 Q C 1.031 177.187 176.000 0.260 0.000 1.337 11 Q CA 0.832 56.768 55.803 0.222 0.000 0.985 11 Q CB -1.941 26.911 28.738 0.190 0.000 1.216 11 Q HN 0.280 nan 8.270 nan 0.000 0.415 12 T N -0.322 114.366 114.554 0.222 0.000 2.635 12 T HA -0.266 4.076 4.350 -0.014 0.000 0.267 12 T C 1.865 176.623 174.700 0.098 0.000 1.040 12 T CA 1.676 63.859 62.100 0.139 0.000 1.156 12 T CB -0.177 68.754 68.868 0.104 0.000 0.863 12 T HN 0.688 nan 8.240 nan 0.000 0.430 13 A N 1.124 124.013 122.820 0.115 0.000 1.865 13 A HA -0.096 4.216 4.320 -0.014 0.000 0.217 13 A C 2.063 179.705 177.584 0.096 0.000 1.191 13 A CA 1.877 53.969 52.037 0.091 0.000 0.623 13 A CB -1.143 17.916 19.000 0.099 0.000 0.826 13 A HN 0.521 nan 8.150 nan 0.000 0.444 14 F N 1.313 121.277 119.950 0.024 0.000 2.069 14 F HA -0.238 4.282 4.527 -0.012 0.000 0.298 14 F C 2.197 178.005 175.800 0.014 0.000 1.113 14 F CA 2.251 60.263 58.000 0.020 0.000 1.214 14 F CB -0.222 38.797 39.000 0.032 0.000 0.978 14 F HN 0.216 nan 8.300 nan 0.000 0.474 15 N N 0.604 119.284 118.700 -0.034 0.000 2.142 15 N HA -0.136 4.596 4.740 -0.014 0.000 0.186 15 N C 1.943 177.310 175.510 -0.238 0.000 1.023 15 N CA 1.350 54.296 53.050 -0.173 0.000 0.852 15 N CB -0.455 38.014 38.487 -0.031 0.000 0.998 15 N HN 0.398 nan 8.380 nan 0.000 0.424 16 R N 0.735 121.139 120.500 -0.159 0.000 2.115 16 R HA -0.045 4.287 4.340 -0.014 0.000 0.230 16 R C 2.143 178.351 176.300 -0.154 0.000 1.111 16 R CA 0.726 56.751 56.100 -0.125 0.000 0.976 16 R CB -0.071 30.202 30.300 -0.045 0.000 0.870 16 R HN 0.263 nan 8.270 nan 0.000 0.445 17 Q N 0.612 120.298 119.800 -0.190 0.000 2.079 17 Q HA -0.068 4.264 4.340 -0.014 0.000 0.200 17 Q C 1.939 177.705 176.000 -0.390 0.000 0.974 17 Q CA 1.846 57.516 55.803 -0.221 0.000 0.840 17 Q CB -0.026 28.611 28.738 -0.167 0.000 0.898 17 Q HN 0.323 nan 8.270 nan 0.000 0.430 18 A N -0.148 122.396 122.820 -0.460 0.000 1.969 18 A HA -0.139 4.173 4.320 -0.014 0.000 0.218 18 A C 1.570 178.741 177.584 -0.688 0.000 1.169 18 A CA 1.070 52.789 52.037 -0.531 0.000 0.635 18 A CB -0.655 18.054 19.000 -0.486 0.000 0.810 18 A HN 0.485 nan 8.150 nan 0.000 0.445 19 H N -1.523 117.171 119.070 -0.627 0.000 2.539 19 H HA 0.043 4.591 4.556 -0.014 0.000 0.269 19 H C -0.407 174.552 175.328 -0.615 0.000 0.980 19 H CA 0.263 55.988 56.048 -0.539 0.000 1.152 19 H CB 0.060 29.664 29.762 -0.263 0.000 1.407 19 H HN 0.656 nan 8.280 nan 0.000 0.564 20 H N 0.276 119.144 119.070 -0.336 0.000 2.756 20 H HA -0.119 4.429 4.556 -0.013 0.000 0.315 20 H C 0.835 176.079 175.328 -0.141 0.000 1.210 20 H CA 1.167 56.972 56.048 -0.404 0.000 1.150 20 H CB -2.288 26.817 29.762 -1.096 0.000 1.463 20 H HN 0.539 nan 8.280 nan 0.000 0.427 21 T N -3.654 110.931 114.554 0.051 0.000 3.111 21 T HA 0.001 4.343 4.350 -0.014 0.000 0.284 21 T C 1.265 176.115 174.700 0.249 0.000 0.983 21 T CA 0.206 62.485 62.100 0.299 0.000 0.900 21 T CB 0.481 69.510 68.868 0.268 0.000 1.132 21 T HN 0.422 nan 8.240 nan 0.000 0.531 22 D N 1.999 122.422 120.400 0.038 0.000 2.350 22 D HA -0.109 4.522 4.640 -0.014 0.000 0.216 22 D C 1.493 177.740 176.300 -0.088 0.000 0.968 22 D CA 0.410 54.407 54.000 -0.005 0.000 0.894 22 D CB -0.014 40.757 40.800 -0.049 0.000 0.909 22 D HN 0.357 nan 8.370 nan 0.000 0.520 23 K N -0.041 120.178 120.400 -0.301 0.000 2.366 23 K HA 0.022 4.334 4.320 -0.014 0.000 0.198 23 K C 0.406 176.750 176.600 -0.426 0.000 1.044 23 K CA -0.020 55.886 56.287 -0.635 0.000 0.973 23 K CB -0.091 31.511 32.500 -1.497 0.000 0.767 23 K HN 0.178 nan 8.250 nan 0.000 0.475 24 F N 1.240 121.212 119.950 0.037 0.000 2.538 24 F HA -0.074 4.442 4.527 -0.017 0.000 0.371 24 F C 2.000 177.870 175.800 0.117 0.000 1.087 24 F CA 0.059 58.192 58.000 0.222 0.000 1.250 24 F CB 0.839 39.969 39.000 0.217 0.000 1.110 24 F HN -0.066 nan 8.300 nan 0.000 0.570 25 S N 1.885 117.776 115.700 0.320 0.000 2.399 25 S HA -0.155 4.307 4.470 -0.014 0.000 0.231 25 S C 1.374 176.068 174.600 0.157 0.000 1.022 25 S CA 0.827 59.141 58.200 0.190 0.000 0.983 25 S CB -0.197 63.105 63.200 0.169 0.000 0.803 25 S HN 0.669 nan 8.310 nan 0.000 0.480 26 S N 0.345 116.154 115.700 0.181 0.000 2.549 26 S HA 0.003 4.464 4.470 -0.014 0.000 0.278 26 S C 0.843 175.492 174.600 0.080 0.000 1.344 26 S CA 0.083 58.345 58.200 0.104 0.000 1.025 26 S CB 0.317 63.557 63.200 0.068 0.000 0.851 26 S HN 0.509 nan 8.310 nan 0.000 0.530 27 Q N 0.915 120.742 119.800 0.045 0.000 2.247 27 Q HA 0.233 4.565 4.340 -0.014 0.000 0.211 27 Q C 0.043 176.048 176.000 0.008 0.000 0.861 27 Q CA 0.179 56.003 55.803 0.035 0.000 0.949 27 Q CB 0.178 28.935 28.738 0.032 0.000 1.115 27 Q HN 0.732 nan 8.270 nan 0.000 0.507 28 E N 0.832 121.024 120.200 -0.012 0.000 2.409 28 E HA 0.067 4.409 4.350 -0.014 0.000 0.257 28 E C -0.373 176.183 176.600 -0.074 0.000 1.150 28 E CA -0.360 56.005 56.400 -0.057 0.000 0.942 28 E CB 0.705 30.362 29.700 -0.071 0.000 0.979 28 E HN -0.084 nan 8.360 nan 0.000 0.447 29 L N 3.114 124.256 121.223 -0.134 0.000 2.407 29 L HA 0.229 4.561 4.340 -0.014 0.000 0.282 29 L C -0.998 175.793 176.870 -0.132 0.000 1.110 29 L CA 0.630 55.374 54.840 -0.161 0.000 0.863 29 L CB -0.186 41.696 42.059 -0.297 0.000 1.207 29 L HN 0.343 nan 8.230 nan 0.000 0.454 30 I N 6.585 127.080 120.570 -0.124 0.000 2.378 30 I HA 0.400 4.562 4.170 -0.014 0.000 0.291 30 I C -0.417 175.610 176.117 -0.149 0.000 0.992 30 I CA -0.442 60.791 61.300 -0.111 0.000 1.154 30 I CB 1.223 39.161 38.000 -0.103 0.000 1.315 30 I HN 0.523 nan 8.210 nan 0.000 0.448 31 L N 5.858 127.000 121.223 -0.136 0.000 2.303 31 L HA 0.657 4.989 4.340 -0.014 0.000 0.256 31 L C -0.452 176.474 176.870 0.094 0.000 1.034 31 L CA -0.988 53.754 54.840 -0.163 0.000 0.832 31 L CB 2.183 43.926 42.059 -0.527 0.000 1.403 31 L HN 0.485 nan 8.230 nan 0.000 0.419 32 R N 0.395 121.088 120.500 0.322 0.000 2.670 32 R HA 0.456 4.787 4.340 -0.014 0.000 0.289 32 R C -0.869 175.500 176.300 0.114 0.000 0.965 32 R CA -0.959 55.258 56.100 0.195 0.000 0.899 32 R CB 2.263 32.678 30.300 0.191 0.000 1.173 32 R HN 0.582 nan 8.270 nan 0.000 0.456 33 R N 0.466 121.000 120.500 0.057 0.000 2.734 33 R HA 0.190 4.522 4.340 -0.014 0.000 0.266 33 R C 0.495 176.777 176.300 -0.030 0.000 1.044 33 R CA 0.583 56.667 56.100 -0.027 0.000 1.128 33 R CB 0.114 30.394 30.300 -0.033 0.000 1.010 33 R HN 0.792 nan 8.270 nan 0.000 0.461 34 G N 0.046 108.771 108.800 -0.124 0.000 2.155 34 G HA2 -0.364 3.588 3.960 -0.014 0.000 0.257 34 G HA3 -0.364 3.588 3.960 -0.014 0.000 0.257 34 G C -0.074 174.777 174.900 -0.082 0.000 0.983 34 G CA 0.788 45.821 45.100 -0.110 0.000 0.676 34 G HN 0.767 nan 8.290 nan 0.000 0.528 35 Q N -0.156 119.606 119.800 -0.062 0.000 2.365 35 Q HA 0.475 4.807 4.340 -0.014 0.000 0.269 35 Q C -0.480 175.578 176.000 0.096 0.000 1.061 35 Q CA -1.010 54.747 55.803 -0.078 0.000 0.816 35 Q CB 0.806 29.337 28.738 -0.346 0.000 1.325 35 Q HN 0.226 nan 8.270 nan 0.000 0.446 36 N N 2.436 121.178 118.700 0.070 0.000 2.525 36 N HA 0.312 5.044 4.740 -0.014 0.000 0.271 36 N C -1.003 174.730 175.510 0.371 0.000 1.194 36 N CA 0.340 53.458 53.050 0.114 0.000 0.964 36 N CB 0.396 38.888 38.487 0.008 0.000 1.126 36 N HN 0.404 nan 8.380 nan 0.000 0.452 37 F N -1.656 118.358 119.950 0.106 0.000 2.578 37 F HA 0.448 4.968 4.527 -0.012 0.000 0.311 37 F C -0.271 175.584 175.800 0.093 0.000 1.094 37 F CA -1.148 56.912 58.000 0.101 0.000 0.923 37 F CB 1.260 40.206 39.000 -0.089 0.000 1.230 37 F HN 0.234 nan 8.300 nan 0.000 0.450 38 Q N 2.744 122.690 119.800 0.244 0.000 2.282 38 Q HA 0.750 5.082 4.340 -0.014 0.000 0.260 38 Q C -1.342 174.732 176.000 0.124 0.000 0.964 38 Q CA -0.980 54.882 55.803 0.099 0.000 0.880 38 Q CB 2.325 31.127 28.738 0.107 0.000 1.286 38 Q HN 0.907 nan 8.270 nan 0.000 0.445 39 V N 1.273 121.191 119.914 0.006 0.000 2.962 39 V HA 0.647 4.759 4.120 -0.014 0.000 0.313 39 V C -1.106 174.937 176.094 -0.086 0.000 1.099 39 V CA -1.031 61.252 62.300 -0.028 0.000 0.971 39 V CB 1.862 33.621 31.823 -0.106 0.000 1.028 39 V HN 0.739 nan 8.190 nan 0.000 0.430 40 L N 3.888 125.044 121.223 -0.112 0.000 2.313 40 L HA 0.654 4.986 4.340 -0.014 0.000 0.283 40 L C -0.342 176.450 176.870 -0.130 0.000 1.013 40 L CA -0.379 54.402 54.840 -0.098 0.000 0.816 40 L CB 1.765 43.777 42.059 -0.078 0.000 1.236 40 L HN 0.740 nan 8.230 nan 0.000 0.419 41 M N 5.204 124.747 119.600 -0.095 0.000 2.085 41 M HA 0.496 4.968 4.480 -0.014 0.000 0.309 41 M C -1.104 175.157 176.300 -0.066 0.000 0.947 41 M CA -0.448 54.793 55.300 -0.098 0.000 0.918 41 M CB 1.181 33.740 32.600 -0.068 0.000 1.504 41 M HN 0.483 nan 8.290 nan 0.000 0.420 42 I N 6.152 126.682 120.570 -0.067 0.000 2.337 42 I HA 0.203 4.365 4.170 -0.014 0.000 0.291 42 I C 0.018 176.109 176.117 -0.044 0.000 1.046 42 I CA -0.419 60.852 61.300 -0.047 0.000 1.324 42 I CB 0.851 38.826 38.000 -0.041 0.000 1.409 42 I HN 0.628 nan 8.210 nan 0.000 0.494 43 M N 5.154 124.732 119.600 -0.037 0.000 2.369 43 M HA 0.216 4.688 4.480 -0.014 0.000 0.291 43 M C 1.180 177.463 176.300 -0.028 0.000 1.178 43 M CA -0.493 54.786 55.300 -0.036 0.000 0.996 43 M CB 0.459 33.040 32.600 -0.032 0.000 1.472 43 M HN 0.561 nan 8.290 nan 0.000 0.496 44 N N 0.513 119.197 118.700 -0.027 0.000 2.422 44 N HA -0.019 4.713 4.740 -0.014 0.000 0.181 44 N C -0.154 175.345 175.510 -0.018 0.000 1.080 44 N CA 0.394 53.431 53.050 -0.022 0.000 0.893 44 N CB 0.474 38.948 38.487 -0.022 0.000 0.973 44 N HN 0.746 nan 8.380 nan 0.000 0.456 45 K N -2.141 118.248 120.400 -0.018 0.000 2.499 45 K HA 0.579 4.891 4.320 -0.014 0.000 0.284 45 K C -0.436 176.157 176.600 -0.012 0.000 1.039 45 K CA -0.973 55.306 56.287 -0.014 0.000 0.873 45 K CB 0.418 32.911 32.500 -0.012 0.000 1.545 45 K HN -0.136 nan 8.250 nan 0.000 0.402 46 G N 0.800 109.595 108.800 -0.009 0.000 2.444 46 G HA2 0.328 4.279 3.960 -0.014 0.000 0.268 46 G HA3 0.328 4.279 3.960 -0.014 0.000 0.268 46 G C -0.427 174.471 174.900 -0.004 0.000 1.203 46 G CA -0.935 44.162 45.100 -0.006 0.000 0.835 46 G HN 0.455 nan 8.290 nan 0.000 0.543 47 L N 2.255 123.477 121.223 -0.001 0.000 2.597 47 L HA 0.157 4.489 4.340 -0.014 0.000 0.271 47 L C 1.395 178.269 176.870 0.006 0.000 1.157 47 L CA -0.264 54.578 54.840 0.004 0.000 0.928 47 L CB -0.269 41.796 42.059 0.010 0.000 1.216 47 L HN 0.622 nan 8.230 nan 0.000 0.481 48 G N 2.081 110.885 108.800 0.008 0.000 2.594 48 G HA2 0.017 3.969 3.960 -0.014 0.000 0.243 48 G HA3 0.017 3.969 3.960 -0.014 0.000 0.243 48 G C 0.880 175.787 174.900 0.011 0.000 1.229 48 G CA 0.003 45.108 45.100 0.009 0.000 0.843 48 G HN 0.717 nan 8.290 nan 0.000 0.578 49 S N 0.033 115.738 115.700 0.008 0.000 2.402 49 S HA -0.143 4.319 4.470 -0.014 0.000 0.229 49 S C 1.797 176.401 174.600 0.006 0.000 1.021 49 S CA 1.370 59.574 58.200 0.007 0.000 0.974 49 S CB -0.200 63.003 63.200 0.004 0.000 0.800 49 S HN 0.678 nan 8.310 nan 0.000 0.484 50 N N 0.650 119.355 118.700 0.009 0.000 2.230 50 N HA 0.092 4.823 4.740 -0.014 0.000 0.202 50 N C -0.476 175.047 175.510 0.022 0.000 1.119 50 N CA -0.009 53.047 53.050 0.010 0.000 0.851 50 N CB 0.384 38.877 38.487 0.010 0.000 0.990 50 N HN 0.552 nan 8.380 nan 0.000 0.497 51 E N 0.466 120.684 120.200 0.029 0.000 2.280 51 E HA 0.336 4.678 4.350 -0.014 0.000 0.264 51 E C -0.307 176.328 176.600 0.058 0.000 1.064 51 E CA -0.516 55.917 56.400 0.055 0.000 0.900 51 E CB 1.947 31.672 29.700 0.041 0.000 1.123 51 E HN 0.080 nan 8.360 nan 0.000 0.418 52 R N 1.429 121.998 120.500 0.114 0.000 2.643 52 R HA 0.395 4.727 4.340 -0.014 0.000 0.269 52 R C -1.846 174.558 176.300 0.173 0.000 1.037 52 R CA -0.537 55.628 56.100 0.108 0.000 0.894 52 R CB 1.091 31.397 30.300 0.010 0.000 1.238 52 R HN 0.461 nan 8.270 nan 0.000 0.459 53 L N 3.177 124.454 121.223 0.090 0.000 2.333 53 L HA 0.537 4.869 4.340 -0.014 0.000 0.280 53 L C -0.455 176.409 176.870 -0.011 0.000 1.004 53 L CA -0.750 54.083 54.840 -0.011 0.000 0.820 53 L CB 2.069 44.064 42.059 -0.107 0.000 1.247 53 L HN 0.560 nan 8.230 nan 0.000 0.416 54 E N 3.043 123.200 120.200 -0.071 0.000 2.199 54 E HA 0.425 4.767 4.350 -0.014 0.000 0.265 54 E C -1.352 175.069 176.600 -0.298 0.000 0.882 54 E CA -0.635 55.732 56.400 -0.055 0.000 0.759 54 E CB 2.525 32.288 29.700 0.105 0.000 1.148 54 E HN 0.230 nan 8.360 nan 0.000 0.412 55 F N 2.249 121.911 119.950 -0.480 0.000 2.375 55 F HA 0.410 4.929 4.527 -0.013 0.000 0.333 55 F C 0.615 176.048 175.800 -0.611 0.000 1.104 55 F CA -0.376 57.233 58.000 -0.652 0.000 1.149 55 F CB 0.713 39.036 39.000 -1.129 0.000 1.190 55 F HN 0.244 nan 8.300 nan 0.000 0.533 56 I N 3.584 124.075 120.570 -0.133 0.000 2.500 56 I HA 0.402 4.564 4.170 -0.014 0.000 0.286 56 I C -1.129 175.029 176.117 0.070 0.000 1.063 56 I CA -0.997 60.284 61.300 -0.032 0.000 1.062 56 I CB 1.756 39.743 38.000 -0.021 0.000 1.223 56 I HN 0.326 nan 8.210 nan 0.000 0.435 57 V N 2.688 122.640 119.914 0.063 0.000 2.715 57 V HA 0.972 5.084 4.120 -0.014 0.000 0.310 57 V C -0.139 175.993 176.094 0.063 0.000 1.054 57 V CA -0.416 61.938 62.300 0.090 0.000 0.928 57 V CB 1.690 33.426 31.823 -0.145 0.000 1.007 57 V HN 0.842 nan 8.190 nan 0.000 0.437 58 S N 1.282 117.049 115.700 0.111 0.000 2.547 58 S HA 0.803 5.264 4.470 -0.014 0.000 0.270 58 S C -0.673 173.764 174.600 -0.272 0.000 1.150 58 S CA -0.303 57.879 58.200 -0.031 0.000 0.850 58 S CB 1.809 64.988 63.200 -0.036 0.000 1.118 58 S HN 1.557 nan 8.310 nan 0.000 0.461 59 T N 0.159 114.458 114.554 -0.425 0.000 2.916 59 T HA 0.763 5.105 4.350 -0.014 0.000 0.305 59 T C 0.172 174.702 174.700 -0.283 0.000 1.119 59 T CA 0.957 62.705 62.100 -0.586 0.000 1.008 59 T CB 0.749 68.886 68.868 -1.217 0.000 1.129 59 T HN 2.583 nan 8.240 nan 0.000 0.480 60 G N 4.368 113.045 108.800 -0.205 0.000 2.756 60 G HA2 -0.076 3.876 3.960 -0.014 0.000 0.678 60 G HA3 -0.076 3.876 3.960 -0.014 0.000 0.678 60 G C -1.904 172.925 174.900 -0.118 0.000 1.349 60 G CA -0.182 44.873 45.100 -0.076 0.000 0.847 60 G HN 0.667 nan 8.290 nan 0.000 0.548 61 P HA 0.097 nan 4.420 nan 0.000 0.241 61 P C -0.136 176.707 177.300 -0.762 0.000 1.191 61 P CA 1.182 63.996 63.100 -0.476 0.000 0.771 61 P CB 0.086 31.429 31.700 -0.595 0.000 0.929 62 Y N -0.204 120.075 120.300 -0.034 0.000 2.477 62 Y HA 0.388 4.930 4.550 -0.014 0.000 0.340 62 Y C -2.387 173.493 175.900 -0.033 0.000 0.987 62 Y CA -2.970 55.108 58.100 -0.037 0.000 1.127 62 Y CB -0.102 38.329 38.460 -0.049 0.000 1.139 62 Y HN -0.084 nan 8.280 nan 0.000 0.637 63 P HA 0.008 nan 4.420 nan 0.000 0.258 63 P C 0.003 177.333 177.300 0.049 0.000 1.172 63 P CA 0.643 63.755 63.100 0.019 0.000 0.762 63 P CB 0.831 32.521 31.700 -0.016 0.000 0.764 64 S N 2.005 117.735 115.700 0.051 0.000 2.575 64 S HA 0.190 4.651 4.470 -0.014 0.000 0.278 64 S C 0.843 175.480 174.600 0.061 0.000 1.139 64 S CA -0.649 57.584 58.200 0.054 0.000 0.954 64 S CB 1.084 64.315 63.200 0.051 0.000 1.054 64 S HN 0.373 nan 8.310 nan 0.000 0.483 65 E N 1.810 122.048 120.200 0.064 0.000 2.077 65 E HA -0.120 4.221 4.350 -0.014 0.000 0.193 65 E C 1.891 178.538 176.600 0.079 0.000 0.989 65 E CA 1.608 58.057 56.400 0.080 0.000 0.800 65 E CB -0.021 29.727 29.700 0.081 0.000 0.746 65 E HN 0.812 nan 8.360 nan 0.000 0.452 66 S N 0.551 116.287 115.700 0.061 0.000 2.419 66 S HA -0.060 4.402 4.470 -0.014 0.000 0.233 66 S C 1.940 176.571 174.600 0.052 0.000 1.016 66 S CA 0.874 59.105 58.200 0.052 0.000 0.974 66 S CB 0.070 63.292 63.200 0.036 0.000 0.786 66 S HN 0.246 nan 8.310 nan 0.000 0.492 67 A N 0.791 123.643 122.820 0.053 0.000 2.275 67 A HA 0.535 4.846 4.320 -0.014 0.000 0.212 67 A C 1.141 178.770 177.584 0.074 0.000 1.201 67 A CA 0.265 52.331 52.037 0.048 0.000 0.843 67 A CB -0.518 18.503 19.000 0.036 0.000 0.873 67 A HN 0.357 nan 8.150 nan 0.000 0.492 68 M N -1.413 118.249 119.600 0.103 0.000 2.907 68 M HA -0.182 4.290 4.480 -0.014 0.000 0.186 68 M C 1.086 177.496 176.300 0.184 0.000 0.631 68 M CA 1.710 57.106 55.300 0.160 0.000 0.700 68 M CB -3.192 29.504 32.600 0.160 0.000 2.523 68 M HN 0.744 nan 8.290 nan 0.000 0.323 69 T N -2.559 112.064 114.554 0.115 0.000 3.144 69 T HA 0.375 4.717 4.350 -0.014 0.000 0.249 69 T C 0.407 175.138 174.700 0.052 0.000 1.089 69 T CA 0.310 62.454 62.100 0.073 0.000 0.989 69 T CB 0.800 69.679 68.868 0.017 0.000 0.992 69 T HN 0.518 nan 8.240 nan 0.000 0.540 70 K N 0.146 120.597 120.400 0.085 0.000 2.542 70 K HA 0.646 4.958 4.320 -0.014 0.000 0.259 70 K C -2.166 174.465 176.600 0.051 0.000 0.932 70 K CA -0.744 55.573 56.287 0.050 0.000 0.820 70 K CB 2.134 34.658 32.500 0.041 0.000 1.345 70 K HN 0.133 nan 8.250 nan 0.000 0.432 71 A N 2.520 125.332 122.820 -0.012 0.000 2.486 71 A HA 0.666 4.978 4.320 -0.014 0.000 0.300 71 A C -1.608 176.088 177.584 0.187 0.000 1.048 71 A CA -0.650 51.413 52.037 0.044 0.000 0.696 71 A CB 1.859 20.707 19.000 -0.253 0.000 1.278 71 A HN 0.298 nan 8.150 nan 0.000 0.405 72 V N 2.539 122.618 119.914 0.275 0.000 2.483 72 V HA 0.743 4.855 4.120 -0.014 0.000 0.297 72 V C -1.191 175.136 176.094 0.389 0.000 1.027 72 V CA -0.377 62.056 62.300 0.222 0.000 0.855 72 V CB 0.684 32.584 31.823 0.129 0.000 0.995 72 V HN 0.891 nan 8.190 nan 0.000 0.424 73 F N 4.641 124.697 119.950 0.177 0.000 2.581 73 F HA 0.892 5.411 4.527 -0.013 0.000 0.311 73 F C -3.031 172.916 175.800 0.246 0.000 1.113 73 F CA -3.057 55.057 58.000 0.190 0.000 0.935 73 F CB 1.718 40.837 39.000 0.199 0.000 1.232 73 F HN 0.282 nan 8.300 nan 0.000 0.445 74 P HA 0.218 nan 4.420 nan 0.000 0.279 74 P C -0.822 176.637 177.300 0.265 0.000 1.252 74 P CA -0.469 62.755 63.100 0.207 0.000 0.811 74 P CB 2.153 33.928 31.700 0.125 0.000 1.035 75 L N 1.547 122.920 121.223 0.250 0.000 2.360 75 L HA 0.164 4.496 4.340 -0.014 0.000 0.276 75 L C 0.211 177.163 176.870 0.136 0.000 1.121 75 L CA 0.669 55.651 54.840 0.236 0.000 0.845 75 L CB 0.325 42.524 42.059 0.234 0.000 1.143 75 L HN 0.538 nan 8.230 nan 0.000 0.452 76 S N 3.119 118.882 115.700 0.104 0.000 2.811 76 S HA 0.371 4.833 4.470 -0.014 0.000 0.311 76 S C 0.287 174.912 174.600 0.041 0.000 1.152 76 S CA -0.694 57.546 58.200 0.067 0.000 0.864 76 S CB 1.701 64.942 63.200 0.068 0.000 1.226 76 S HN 0.687 nan 8.310 nan 0.000 0.541 77 N N -0.376 118.341 118.700 0.028 0.000 2.205 77 N HA 0.296 5.027 4.740 -0.014 0.000 0.201 77 N C 0.042 175.558 175.510 0.009 0.000 1.128 77 N CA -0.236 52.823 53.050 0.015 0.000 0.867 77 N CB 0.773 39.267 38.487 0.013 0.000 0.996 77 N HN 0.606 nan 8.380 nan 0.000 0.503 78 G N -0.428 108.380 108.800 0.013 0.000 2.696 78 G HA2 0.299 4.251 3.960 -0.014 0.000 0.295 78 G HA3 0.299 4.251 3.960 -0.014 0.000 0.295 78 G C -1.360 173.543 174.900 0.005 0.000 1.398 78 G CA -0.282 44.822 45.100 0.006 0.000 0.920 78 G HN -0.064 nan 8.290 nan 0.000 0.492 79 S N 0.065 115.760 115.700 -0.009 0.000 2.545 79 S HA 0.498 4.960 4.470 -0.014 0.000 0.275 79 S C 1.255 175.848 174.600 -0.013 0.000 1.299 79 S CA 0.178 58.366 58.200 -0.021 0.000 1.048 79 S CB 1.289 64.464 63.200 -0.041 0.000 0.938 79 S HN 0.812 nan 8.310 nan 0.000 0.496 80 S N 3.682 119.376 115.700 -0.011 0.000 2.343 80 S HA 0.488 4.950 4.470 -0.014 0.000 0.155 80 S C 1.168 175.756 174.600 -0.019 0.000 1.261 80 S CA 0.756 58.957 58.200 0.002 0.000 2.081 80 S CB -0.649 62.568 63.200 0.028 0.000 0.460 80 S HN 0.929 nan 8.310 nan 0.000 0.370 81 G N -0.717 108.067 108.800 -0.027 0.000 2.509 81 G HA2 0.457 4.408 3.960 -0.014 0.000 0.168 81 G HA3 0.457 4.408 3.960 -0.014 0.000 0.168 81 G C 0.970 175.818 174.900 -0.087 0.000 1.415 81 G CA 0.596 45.671 45.100 -0.041 0.000 0.686 81 G HN 0.796 nan 8.290 nan 0.000 0.677 82 G N 0.214 108.973 108.800 -0.068 0.000 2.679 82 G HA2 0.267 4.219 3.960 -0.014 0.000 0.185 82 G HA3 0.267 4.219 3.960 -0.014 0.000 0.185 82 G C -0.121 174.606 174.900 -0.288 0.000 1.656 82 G CA -0.186 44.825 45.100 -0.149 0.000 0.892 82 G HN 0.269 nan 8.290 nan 0.000 0.389 83 W N 1.081 122.216 121.300 -0.275 0.000 2.218 83 W HA 0.516 5.168 4.660 -0.014 0.000 0.326 83 W C 0.502 176.555 176.519 -0.777 0.000 1.276 83 W CA 0.214 57.160 57.345 -0.665 0.000 1.210 83 W CB 1.045 29.930 29.460 -0.959 0.000 1.143 83 W HN 0.557 nan 8.180 nan 0.000 0.563 84 S N 1.172 116.507 115.700 -0.608 0.000 2.567 84 S HA 0.866 5.328 4.470 -0.014 0.000 0.270 84 S C -1.328 173.242 174.600 -0.051 0.000 1.152 84 S CA -1.121 56.962 58.200 -0.194 0.000 0.835 84 S CB 1.478 64.630 63.200 -0.081 0.000 1.115 84 S HN 0.987 nan 8.310 nan 0.000 0.459 85 A N 1.372 124.279 122.820 0.145 0.000 2.353 85 A HA 0.761 5.073 4.320 -0.014 0.000 0.299 85 A C -1.049 176.522 177.584 -0.022 0.000 1.089 85 A CA -0.724 51.279 52.037 -0.056 0.000 0.736 85 A CB 1.399 20.210 19.000 -0.314 0.000 1.195 85 A HN 1.180 nan 8.150 nan 0.000 0.447 86 V N 3.078 122.950 119.914 -0.069 0.000 2.459 86 V HA 0.371 4.483 4.120 -0.014 0.000 0.295 86 V C -0.347 175.730 176.094 -0.028 0.000 1.029 86 V CA -0.582 61.700 62.300 -0.030 0.000 0.874 86 V CB 1.512 33.312 31.823 -0.038 0.000 0.985 86 V HN 0.823 nan 8.190 nan 0.000 0.438 87 L N 5.015 126.240 121.223 0.003 0.000 2.342 87 L HA 0.324 4.656 4.340 -0.014 0.000 0.285 87 L C 1.066 177.932 176.870 -0.007 0.000 1.095 87 L CA 0.855 55.699 54.840 0.006 0.000 0.843 87 L CB 0.821 42.895 42.059 0.025 0.000 1.201 87 L HN 0.733 nan 8.230 nan 0.000 0.445 88 Q N 4.059 123.848 119.800 -0.019 0.000 2.302 88 Q HA 0.445 4.777 4.340 -0.014 0.000 0.202 88 Q C 0.030 176.020 176.000 -0.017 0.000 0.936 88 Q CA 0.675 56.466 55.803 -0.020 0.000 0.886 88 Q CB 0.425 29.146 28.738 -0.028 0.000 0.986 88 Q HN 0.791 nan 8.270 nan 0.000 0.487 89 A N -0.099 122.711 122.820 -0.017 0.000 2.599 89 A HA 0.590 4.902 4.320 -0.014 0.000 0.294 89 A C -1.342 176.233 177.584 -0.015 0.000 1.055 89 A CA -0.672 51.355 52.037 -0.017 0.000 0.683 89 A CB 1.610 20.596 19.000 -0.023 0.000 1.278 89 A HN -0.040 nan 8.150 nan 0.000 0.412 90 S N 1.654 117.347 115.700 -0.013 0.000 2.647 90 S HA 0.632 5.094 4.470 -0.014 0.000 0.300 90 S C -1.070 173.522 174.600 -0.014 0.000 1.129 90 S CA -0.727 57.466 58.200 -0.011 0.000 1.029 90 S CB 1.004 64.201 63.200 -0.006 0.000 1.007 90 S HN 0.566 nan 8.310 nan 0.000 0.484 91 N N 2.320 121.010 118.700 -0.017 0.000 2.576 91 N HA 0.482 5.214 4.740 -0.014 0.000 0.269 91 N C 0.639 176.139 175.510 -0.016 0.000 1.058 91 N CA -0.011 53.029 53.050 -0.017 0.000 0.860 91 N CB 1.652 40.126 38.487 -0.020 0.000 1.249 91 N HN 0.893 nan 8.380 nan 0.000 0.525 92 G N 3.210 112.002 108.800 -0.013 0.000 2.536 92 G HA2 -0.360 3.592 3.960 -0.014 0.000 0.280 92 G HA3 -0.360 3.592 3.960 -0.014 0.000 0.280 92 G C 0.450 175.342 174.900 -0.013 0.000 1.152 92 G CA -0.045 45.048 45.100 -0.013 0.000 0.970 92 G HN 0.539 nan 8.290 nan 0.000 0.549 93 N N 1.426 120.117 118.700 -0.015 0.000 2.322 93 N HA 0.167 4.899 4.740 -0.014 0.000 0.194 93 N C 0.315 175.813 175.510 -0.021 0.000 1.126 93 N CA 0.953 53.993 53.050 -0.017 0.000 0.845 93 N CB 0.424 38.900 38.487 -0.018 0.000 0.976 93 N HN 0.507 nan 8.380 nan 0.000 0.475 94 T N 1.682 116.223 114.554 -0.022 0.000 2.767 94 T HA 0.435 4.777 4.350 -0.014 0.000 0.288 94 T C 0.328 175.013 174.700 -0.025 0.000 0.963 94 T CA -0.347 61.737 62.100 -0.028 0.000 1.019 94 T CB 1.196 70.046 68.868 -0.031 0.000 0.923 94 T HN -0.044 nan 8.240 nan 0.000 0.468 95 L N 3.513 124.721 121.223 -0.024 0.000 2.280 95 L HA 0.380 4.712 4.340 -0.014 0.000 0.287 95 L C 0.472 177.328 176.870 -0.024 0.000 1.023 95 L CA -0.801 54.031 54.840 -0.014 0.000 0.819 95 L CB 1.148 43.210 42.059 0.005 0.000 1.212 95 L HN 0.547 nan 8.230 nan 0.000 0.420 96 T N 4.912 119.448 114.554 -0.029 0.000 2.729 96 T HA 0.528 4.870 4.350 -0.014 0.000 0.296 96 T C 0.054 174.730 174.700 -0.041 0.000 0.928 96 T CA 0.058 62.131 62.100 -0.044 0.000 1.045 96 T CB 0.261 69.099 68.868 -0.049 0.000 0.902 96 T HN 0.277 nan 8.240 nan 0.000 0.500 97 I N 2.311 122.848 120.570 -0.055 0.000 2.509 97 I HA 0.398 4.560 4.170 -0.014 0.000 0.293 97 I C 0.227 176.261 176.117 -0.140 0.000 1.020 97 I CA -0.793 60.459 61.300 -0.081 0.000 1.088 97 I CB 2.084 40.045 38.000 -0.065 0.000 1.267 97 I HN 0.457 nan 8.210 nan 0.000 0.430 98 S N 7.089 122.695 115.700 -0.156 0.000 2.448 98 S HA 0.623 5.085 4.470 -0.014 0.000 0.320 98 S C -0.611 173.799 174.600 -0.316 0.000 1.071 98 S CA -0.510 57.570 58.200 -0.200 0.000 1.113 98 S CB 0.219 63.352 63.200 -0.112 0.000 0.972 98 S HN 0.416 nan 8.310 nan 0.000 0.465 99 I N 3.695 123.919 120.570 -0.577 0.000 2.437 99 I HA 0.438 4.600 4.170 -0.014 0.000 0.298 99 I C 0.354 176.116 176.117 -0.592 0.000 0.984 99 I CA -0.470 60.436 61.300 -0.656 0.000 1.214 99 I CB 1.969 39.403 38.000 -0.943 0.000 1.365 99 I HN 0.554 nan 8.210 nan 0.000 0.469 100 S N 3.797 119.289 115.700 -0.346 0.000 2.566 100 S HA 0.753 5.215 4.470 -0.014 0.000 0.298 100 S C -0.583 173.756 174.600 -0.435 0.000 1.083 100 S CA -0.480 57.553 58.200 -0.279 0.000 0.978 100 S CB 1.576 64.639 63.200 -0.228 0.000 1.073 100 S HN 0.723 nan 8.310 nan 0.000 0.491 101 S N 2.873 118.227 115.700 -0.576 0.000 2.634 101 S HA 0.796 5.258 4.470 -0.014 0.000 0.296 101 S C -3.202 170.932 174.600 -0.777 0.000 1.104 101 S CA -1.512 55.926 58.200 -1.270 0.000 0.920 101 S CB 1.759 64.089 63.200 -1.450 0.000 1.111 101 S HN 0.599 nan 8.310 nan 0.000 0.493 102 P HA 0.320 nan 4.420 nan 0.000 0.284 102 P C 0.436 177.606 177.300 -0.216 0.000 1.253 102 P CA -0.425 62.458 63.100 -0.362 0.000 0.800 102 P CB 1.278 32.829 31.700 -0.248 0.000 0.961 103 A N 2.948 125.702 122.820 -0.110 0.000 2.178 103 A HA -0.103 4.209 4.320 -0.014 0.000 0.218 103 A C 1.697 179.298 177.584 0.028 0.000 1.157 103 A CA 1.694 53.716 52.037 -0.025 0.000 0.689 103 A CB -1.114 17.887 19.000 0.001 0.000 0.787 103 A HN 0.632 nan 8.150 nan 0.000 0.465 104 S N -1.119 114.590 115.700 0.014 0.000 2.572 104 S HA 0.608 5.070 4.470 -0.014 0.000 0.228 104 S C 0.656 175.306 174.600 0.082 0.000 0.963 104 S CA 0.161 58.399 58.200 0.063 0.000 0.939 104 S CB -0.361 62.873 63.200 0.056 0.000 0.804 104 S HN 0.740 nan 8.310 nan 0.000 0.480 105 A N 2.744 125.600 122.820 0.061 0.000 2.425 105 A HA 0.583 4.895 4.320 -0.014 0.000 0.249 105 A C -2.611 175.071 177.584 0.163 0.000 1.084 105 A CA -1.391 50.742 52.037 0.160 0.000 0.781 105 A CB -0.351 18.731 19.000 0.137 0.000 1.019 105 A HN 0.303 nan 8.150 nan 0.000 0.490 106 P HA 0.211 nan 4.420 nan 0.000 0.271 106 P C -0.076 177.318 177.300 0.157 0.000 1.216 106 P CA 0.041 63.228 63.100 0.145 0.000 0.771 106 P CB 0.390 32.172 31.700 0.137 0.000 0.864 107 I N -0.233 120.303 120.570 -0.056 0.000 2.886 107 I HA 0.808 4.969 4.170 -0.014 0.000 0.299 107 I C 0.719 176.854 176.117 0.030 0.000 1.044 107 I CA -0.232 61.016 61.300 -0.085 0.000 1.310 107 I CB 0.425 38.163 38.000 -0.437 0.000 1.441 107 I HN 0.603 nan 8.210 nan 0.000 0.578 108 G N 2.983 111.817 108.800 0.058 0.000 2.315 108 G HA2 0.037 3.988 3.960 -0.014 0.000 0.296 108 G HA3 0.037 3.988 3.960 -0.014 0.000 0.296 108 G C -1.089 173.814 174.900 0.005 0.000 1.289 108 G CA -1.104 43.992 45.100 -0.006 0.000 0.996 108 G HN 0.820 nan 8.290 nan 0.000 0.487 109 R N -0.490 119.940 120.500 -0.118 0.000 2.390 109 R HA 0.588 4.920 4.340 -0.014 0.000 0.291 109 R C -1.046 175.071 176.300 -0.305 0.000 1.070 109 R CA -0.091 55.907 56.100 -0.170 0.000 1.014 109 R CB 0.744 30.944 30.300 -0.165 0.000 1.007 109 R HN 0.465 nan 8.270 nan 0.000 0.466 110 Y N -0.332 119.615 120.300 -0.588 0.000 2.570 110 Y HA 0.353 4.894 4.550 -0.015 0.000 0.345 110 Y C 0.260 175.827 175.900 -0.555 0.000 1.014 110 Y CA -0.608 57.089 58.100 -0.672 0.000 1.063 110 Y CB 2.660 40.401 38.460 -1.199 0.000 1.272 110 Y HN 0.424 nan 8.280 nan 0.000 0.477 111 T N 3.430 117.918 114.554 -0.110 0.000 2.841 111 T HA 0.528 4.870 4.350 -0.014 0.000 0.283 111 T C -1.083 173.715 174.700 0.164 0.000 1.000 111 T CA -0.697 61.404 62.100 0.001 0.000 0.977 111 T CB 0.931 69.789 68.868 -0.016 0.000 0.979 111 T HN 0.557 nan 8.240 nan 0.000 0.446 112 M N 3.232 122.998 119.600 0.277 0.000 2.253 112 M HA 0.756 5.228 4.480 -0.014 0.000 0.314 112 M C -1.233 175.220 176.300 0.255 0.000 1.019 112 M CA -0.570 54.953 55.300 0.371 0.000 0.932 112 M CB 0.981 33.962 32.600 0.634 0.000 1.606 112 M HN 0.737 nan 8.290 nan 0.000 0.430 113 A N 4.104 127.012 122.820 0.148 0.000 2.386 113 A HA 0.904 5.216 4.320 -0.014 0.000 0.308 113 A C -2.042 175.507 177.584 -0.057 0.000 1.128 113 A CA -0.752 51.314 52.037 0.049 0.000 0.789 113 A CB 1.792 20.798 19.000 0.010 0.000 1.325 113 A HN 0.822 nan 8.150 nan 0.000 0.437 114 L N 0.148 121.287 121.223 -0.141 0.000 2.381 114 L HA 0.555 4.887 4.340 -0.014 0.000 0.274 114 L C -0.399 176.324 176.870 -0.245 0.000 0.988 114 L CA -0.041 54.614 54.840 -0.308 0.000 0.824 114 L CB 1.950 43.773 42.059 -0.393 0.000 1.263 114 L HN 0.810 nan 8.230 nan 0.000 0.410 115 Q N 4.367 124.016 119.800 -0.252 0.000 2.271 115 Q HA 0.619 4.951 4.340 -0.014 0.000 0.258 115 Q C -1.418 174.428 176.000 -0.257 0.000 0.936 115 Q CA -0.488 55.167 55.803 -0.246 0.000 0.909 115 Q CB 1.444 30.062 28.738 -0.200 0.000 1.253 115 Q HN 0.717 nan 8.270 nan 0.000 0.440 116 I N 4.063 124.442 120.570 -0.319 0.000 2.389 116 I HA 0.288 4.450 4.170 -0.014 0.000 0.288 116 I C -1.037 174.888 176.117 -0.320 0.000 0.999 116 I CA -0.660 60.508 61.300 -0.220 0.000 1.129 116 I CB 1.050 38.958 38.000 -0.153 0.000 1.288 116 I HN 0.562 nan 8.210 nan 0.000 0.444 117 F N 4.888 124.802 119.950 -0.059 0.000 2.350 117 F HA 0.451 4.969 4.527 -0.014 0.000 0.365 117 F C 0.599 176.378 175.800 -0.034 0.000 1.122 117 F CA -0.154 57.822 58.000 -0.040 0.000 1.139 117 F CB 1.313 40.294 39.000 -0.031 0.000 1.220 117 F HN 0.327 nan 8.300 nan 0.000 0.499 118 S N 2.626 118.368 115.700 0.070 0.000 2.543 118 S HA 0.317 4.779 4.470 -0.014 0.000 0.271 118 S C -0.738 173.876 174.600 0.024 0.000 1.148 118 S CA -0.593 57.632 58.200 0.041 0.000 0.914 118 S CB 1.056 64.259 63.200 0.005 0.000 1.096 118 S HN 0.697 nan 8.310 nan 0.000 0.471 119 Q N 2.188 122.003 119.800 0.025 0.000 2.451 119 Q HA -0.212 4.119 4.340 -0.014 0.000 0.305 119 Q C 0.926 176.937 176.000 0.019 0.000 1.345 119 Q CA 0.978 56.791 55.803 0.016 0.000 0.854 119 Q CB -1.961 26.779 28.738 0.003 0.000 1.162 119 Q HN 1.765 nan 8.270 nan 0.000 0.440 120 G N -2.283 106.539 108.800 0.037 0.000 2.175 120 G HA2 -0.301 3.651 3.960 -0.014 0.000 0.265 120 G HA3 -0.301 3.651 3.960 -0.014 0.000 0.265 120 G C 0.364 175.286 174.900 0.037 0.000 0.979 120 G CA 0.423 45.548 45.100 0.041 0.000 0.663 120 G HN 0.935 nan 8.290 nan 0.000 0.533 121 G N -1.197 107.615 108.800 0.021 0.000 3.013 121 G HA2 0.783 4.735 3.960 -0.014 0.000 0.278 121 G HA3 0.783 4.735 3.960 -0.014 0.000 0.278 121 G C -0.849 174.008 174.900 -0.073 0.000 1.353 121 G CA -0.970 44.120 45.100 -0.016 0.000 1.043 121 G HN 0.686 nan 8.290 nan 0.000 0.523 122 I N 0.707 121.186 120.570 -0.151 0.000 2.569 122 I HA 0.444 4.606 4.170 -0.014 0.000 0.290 122 I C -0.273 175.691 176.117 -0.256 0.000 1.088 122 I CA -0.739 60.361 61.300 -0.334 0.000 1.047 122 I CB 2.498 40.245 38.000 -0.422 0.000 1.237 122 I HN 0.620 nan 8.210 nan 0.000 0.421 123 S N 3.230 118.760 115.700 -0.283 0.000 2.599 123 S HA 0.781 5.243 4.470 -0.014 0.000 0.287 123 S C -0.875 173.600 174.600 -0.209 0.000 1.105 123 S CA -0.717 57.367 58.200 -0.193 0.000 0.899 123 S CB 2.243 65.359 63.200 -0.141 0.000 1.100 123 S HN 0.533 nan 8.310 nan 0.000 0.482 124 S N 0.451 116.061 115.700 -0.149 0.000 2.575 124 S HA 0.723 5.185 4.470 -0.014 0.000 0.278 124 S C -1.560 172.985 174.600 -0.092 0.000 1.139 124 S CA -0.537 57.583 58.200 -0.134 0.000 0.954 124 S CB 1.330 64.460 63.200 -0.118 0.000 1.054 124 S HN 1.282 nan 8.310 nan 0.000 0.483 125 V N 5.124 124.986 119.914 -0.086 0.000 2.841 125 V HA 0.619 4.731 4.120 -0.014 0.000 0.310 125 V C -0.751 175.330 176.094 -0.022 0.000 1.090 125 V CA -0.886 61.383 62.300 -0.050 0.000 0.930 125 V CB 1.951 33.743 31.823 -0.052 0.000 1.014 125 V HN 0.915 nan 8.190 nan 0.000 0.425 126 K N 4.932 125.339 120.400 0.012 0.000 2.297 126 K HA 0.394 4.706 4.320 -0.014 0.000 0.286 126 K C 0.413 177.079 176.600 0.111 0.000 1.053 126 K CA -0.373 55.948 56.287 0.057 0.000 0.940 126 K CB 1.114 33.646 32.500 0.053 0.000 1.019 126 K HN 0.786 nan 8.250 nan 0.000 0.475 127 L N 2.885 124.220 121.223 0.187 0.000 2.162 127 L HA 0.200 4.532 4.340 -0.014 0.000 0.205 127 L C 1.190 178.384 176.870 0.539 0.000 1.086 127 L CA 0.705 55.733 54.840 0.314 0.000 0.778 127 L CB -0.017 42.254 42.059 0.354 0.000 0.928 127 L HN 1.004 nan 8.230 nan 0.000 0.446 128 G N -0.823 108.235 108.800 0.431 0.000 2.352 128 G HA2 0.243 4.195 3.960 -0.014 0.000 0.283 128 G HA3 0.243 4.195 3.960 -0.014 0.000 0.283 128 G C -1.089 173.875 174.900 0.106 0.000 1.308 128 G CA -0.142 45.119 45.100 0.269 0.000 0.892 128 G HN 0.015 nan 8.290 nan 0.000 0.504 129 T N -1.987 112.522 114.554 -0.075 0.000 2.907 129 T HA 0.938 5.280 4.350 -0.014 0.000 0.290 129 T C -0.643 173.986 174.700 -0.118 0.000 1.066 129 T CA -0.159 61.885 62.100 -0.093 0.000 1.012 129 T CB 2.193 70.991 68.868 -0.115 0.000 1.184 129 T HN 2.083 nan 8.240 nan 0.000 0.522 130 F N -1.440 118.397 119.950 -0.188 0.000 2.741 130 F HA 0.766 5.285 4.527 -0.014 0.000 0.311 130 F C -2.129 173.612 175.800 -0.098 0.000 1.149 130 F CA -1.718 56.143 58.000 -0.233 0.000 0.930 130 F CB 0.828 39.625 39.000 -0.337 0.000 1.312 130 F HN 0.610 nan 8.300 nan 0.000 0.450 131 I N 3.084 123.678 120.570 0.040 0.000 2.412 131 I HA 0.441 4.603 4.170 -0.014 0.000 0.296 131 I C -0.952 175.238 176.117 0.122 0.000 0.987 131 I CA -0.860 60.437 61.300 -0.005 0.000 1.180 131 I CB 1.837 39.787 38.000 -0.083 0.000 1.340 131 I HN 0.534 nan 8.210 nan 0.000 0.455 132 L N 7.179 128.481 121.223 0.132 0.000 2.333 132 L HA 0.598 4.930 4.340 -0.014 0.000 0.280 132 L C -0.806 176.088 176.870 0.040 0.000 1.004 132 L CA -0.550 54.367 54.840 0.129 0.000 0.820 132 L CB 1.603 43.755 42.059 0.156 0.000 1.247 132 L HN 0.505 nan 8.230 nan 0.000 0.416 133 L N 2.170 123.410 121.223 0.029 0.000 2.279 133 L HA 0.536 4.868 4.340 -0.014 0.000 0.262 133 L C -0.544 176.337 176.870 0.018 0.000 1.019 133 L CA -0.910 53.933 54.840 0.005 0.000 0.823 133 L CB 1.601 43.739 42.059 0.132 0.000 1.358 133 L HN 0.251 nan 8.230 nan 0.000 0.432 134 F N 0.549 120.615 119.950 0.194 0.000 2.539 134 F HA 0.029 4.550 4.527 -0.011 0.000 0.340 134 F C 0.770 176.730 175.800 0.266 0.000 1.185 134 F CA 0.264 58.386 58.000 0.203 0.000 1.333 134 F CB 0.068 39.184 39.000 0.194 0.000 1.152 134 F HN 0.426 nan 8.300 nan 0.000 0.602 135 N N 2.412 121.400 118.700 0.479 0.000 2.746 135 N HA 0.308 5.040 4.740 -0.014 0.000 0.250 135 N C -2.280 173.530 175.510 0.501 0.000 1.146 135 N CA -1.605 51.730 53.050 0.475 0.000 0.828 135 N CB 0.918 39.601 38.487 0.328 0.000 1.158 135 N HN 0.126 nan 8.380 nan 0.000 0.519 136 P HA -0.074 nan 4.420 nan 0.000 0.231 136 P C 0.388 177.741 177.300 0.088 0.000 1.158 136 P CA 0.677 63.875 63.100 0.164 0.000 0.763 136 P CB 0.102 31.720 31.700 -0.137 0.000 0.805 137 W N -1.406 120.017 121.300 0.206 0.000 2.942 137 W HA 0.214 4.866 4.660 -0.013 0.000 0.263 137 W C 0.548 177.294 176.519 0.378 0.000 1.296 137 W CA -0.106 57.371 57.345 0.219 0.000 1.504 137 W CB 0.202 29.741 29.460 0.132 0.000 1.096 137 W HN -0.073 nan 8.180 nan 0.000 0.639 138 L N 2.759 124.320 121.223 0.563 0.000 2.265 138 L HA 0.058 4.390 4.340 -0.014 0.000 0.288 138 L C 1.484 178.387 176.870 0.055 0.000 1.058 138 L CA 0.097 55.109 54.840 0.286 0.000 0.809 138 L CB 0.924 43.098 42.059 0.193 0.000 1.179 138 L HN 0.118 nan 8.230 nan 0.000 0.429 139 N N 2.715 121.138 118.700 -0.462 0.000 2.272 139 N HA -0.169 4.563 4.740 -0.014 0.000 0.185 139 N C 1.011 176.197 175.510 -0.541 0.000 1.014 139 N CA 1.237 53.556 53.050 -1.219 0.000 0.870 139 N CB -0.085 37.897 38.487 -0.842 0.000 0.975 139 N HN 0.537 nan 8.380 nan 0.000 0.433 140 V N -3.376 116.410 119.914 -0.213 0.000 3.649 140 V HA 0.097 4.209 4.120 -0.014 0.000 0.275 140 V C 0.401 176.506 176.094 0.018 0.000 1.281 140 V CA -0.049 62.201 62.300 -0.085 0.000 1.143 140 V CB -0.536 31.252 31.823 -0.058 0.000 0.892 140 V HN 0.111 nan 8.190 nan 0.000 0.441 141 D N 1.596 122.050 120.400 0.090 0.000 2.304 141 D HA 0.163 4.795 4.640 -0.014 0.000 0.250 141 D C 1.541 177.970 176.300 0.215 0.000 1.107 141 D CA 0.871 54.981 54.000 0.184 0.000 0.885 141 D CB 2.199 43.158 40.800 0.265 0.000 1.192 141 D HN 0.359 nan 8.370 nan 0.000 0.436 142 S N 1.760 117.569 115.700 0.182 0.000 2.440 142 S HA -0.179 4.283 4.470 -0.014 0.000 0.238 142 S C 1.695 176.406 174.600 0.186 0.000 1.010 142 S CA 1.163 59.455 58.200 0.152 0.000 0.972 142 S CB -0.549 62.712 63.200 0.103 0.000 0.774 142 S HN 0.452 nan 8.310 nan 0.000 0.501 143 V N -2.239 117.809 119.914 0.225 0.000 3.514 143 V HA 0.460 4.572 4.120 -0.014 0.000 0.301 143 V C 0.433 176.731 176.094 0.341 0.000 1.346 143 V CA -1.018 61.435 62.300 0.255 0.000 1.156 143 V CB -1.708 30.212 31.823 0.162 0.000 1.029 143 V HN 0.319 nan 8.190 nan 0.000 0.428 144 F N 2.554 122.624 119.950 0.200 0.000 2.623 144 F HA 0.371 4.891 4.527 -0.010 0.000 0.383 144 F C 0.161 176.102 175.800 0.234 0.000 1.077 144 F CA 0.049 58.151 58.000 0.169 0.000 1.268 144 F CB 0.580 39.659 39.000 0.132 0.000 1.053 144 F HN 0.269 nan 8.300 nan 0.000 0.571 145 M N 7.127 126.229 119.600 -0.831 0.000 2.035 145 M HA 0.311 4.783 4.480 -0.014 0.000 0.286 145 M C 0.683 176.265 176.300 -1.197 0.000 0.907 145 M CA -0.220 54.529 55.300 -0.918 0.000 0.935 145 M CB 1.166 33.253 32.600 -0.855 0.000 1.557 145 M HN 0.763 nan 8.290 nan 0.000 0.426 146 G N 3.435 111.503 108.800 -1.220 0.000 2.422 146 G HA2 -0.180 3.772 3.960 -0.014 0.000 0.218 146 G HA3 -0.180 3.772 3.960 -0.014 0.000 0.218 146 G C 0.641 175.334 174.900 -0.345 0.000 1.146 146 G CA 0.168 44.845 45.100 -0.705 0.000 0.769 146 G HN 0.713 nan 8.290 nan 0.000 0.547 147 N N 0.064 118.562 118.700 -0.337 0.000 2.475 147 N HA -0.003 4.728 4.740 -0.014 0.000 0.267 147 N C 1.114 176.484 175.510 -0.234 0.000 1.169 147 N CA -0.161 52.761 53.050 -0.214 0.000 0.947 147 N CB 0.806 39.175 38.487 -0.196 0.000 1.061 147 N HN 0.288 nan 8.380 nan 0.000 0.466 148 H N 4.474 123.429 119.070 -0.192 0.000 2.267 148 H HA -0.120 4.430 4.556 -0.010 0.000 0.297 148 H C 1.764 176.982 175.328 -0.183 0.000 1.080 148 H CA 2.831 58.774 56.048 -0.175 0.000 1.278 148 H CB -0.054 29.657 29.762 -0.085 0.000 1.365 148 H HN 0.730 nan 8.280 nan 0.000 0.489 149 A N 0.611 123.309 122.820 -0.204 0.000 1.933 149 A HA -0.197 4.115 4.320 -0.014 0.000 0.218 149 A C 2.278 179.652 177.584 -0.349 0.000 1.175 149 A CA 1.878 53.765 52.037 -0.251 0.000 0.628 149 A CB -0.528 18.412 19.000 -0.099 0.000 0.814 149 A HN 0.715 nan 8.150 nan 0.000 0.444 150 E N -0.863 119.138 120.200 -0.332 0.000 2.051 150 E HA -0.203 4.138 4.350 -0.014 0.000 0.192 150 E C 2.336 178.659 176.600 -0.463 0.000 0.991 150 E CA 1.087 57.240 56.400 -0.413 0.000 0.799 150 E CB -0.217 29.342 29.700 -0.234 0.000 0.748 150 E HN 0.577 nan 8.360 nan 0.000 0.449 151 R N 0.929 121.158 120.500 -0.451 0.000 2.105 151 R HA -0.172 4.160 4.340 -0.014 0.000 0.239 151 R C 1.978 178.034 176.300 -0.407 0.000 1.135 151 R CA 1.194 56.998 56.100 -0.494 0.000 0.967 151 R CB 0.083 29.935 30.300 -0.747 0.000 0.861 151 R HN 0.097 nan 8.270 nan 0.000 0.442 152 E N 0.441 120.382 120.200 -0.431 0.000 2.077 152 E HA -0.221 4.120 4.350 -0.014 0.000 0.193 152 E C 1.778 178.264 176.600 -0.190 0.000 0.989 152 E CA 1.339 57.573 56.400 -0.276 0.000 0.800 152 E CB -0.078 29.431 29.700 -0.319 0.000 0.746 152 E HN 0.392 nan 8.360 nan 0.000 0.452 153 E N -0.028 119.978 120.200 -0.323 0.000 2.072 153 E HA -0.142 4.200 4.350 -0.014 0.000 0.190 153 E C 1.434 177.912 176.600 -0.203 0.000 0.982 153 E CA 0.968 57.170 56.400 -0.330 0.000 0.803 153 E CB -0.226 29.108 29.700 -0.611 0.000 0.755 153 E HN 0.232 nan 8.360 nan 0.000 0.453 154 Y N -0.907 119.366 120.300 -0.045 0.000 2.546 154 Y HA 0.176 4.716 4.550 -0.017 0.000 0.287 154 Y C 1.531 177.418 175.900 -0.022 0.000 1.158 154 Y CA 0.108 58.201 58.100 -0.012 0.000 1.307 154 Y CB 0.402 38.889 38.460 0.046 0.000 1.036 154 Y HN -0.016 nan 8.280 nan 0.000 0.532 155 V N -1.846 118.122 119.914 0.090 0.000 3.103 155 V HA -0.015 4.097 4.120 -0.014 0.000 0.229 155 V C 1.626 177.841 176.094 0.201 0.000 1.304 155 V CA 0.389 62.763 62.300 0.124 0.000 1.298 155 V CB 0.181 32.050 31.823 0.076 0.000 1.093 155 V HN 0.014 nan 8.190 nan 0.000 0.489 156 Q N 0.472 120.393 119.800 0.203 0.000 2.398 156 Q HA 0.095 4.427 4.340 -0.014 0.000 0.204 156 Q C 0.827 177.034 176.000 0.345 0.000 0.932 156 Q CA 0.321 56.326 55.803 0.337 0.000 0.916 156 Q CB 0.155 29.022 28.738 0.215 0.000 1.024 156 Q HN 0.577 nan 8.270 nan 0.000 0.504 157 E N 2.710 123.031 120.200 0.202 0.000 2.257 157 E HA -0.003 4.339 4.350 -0.014 0.000 0.278 157 E C -0.167 176.605 176.600 0.287 0.000 1.049 157 E CA -0.040 56.488 56.400 0.213 0.000 0.876 157 E CB 0.613 30.394 29.700 0.136 0.000 1.035 157 E HN 0.085 nan 8.360 nan 0.000 0.419 158 D N 2.805 123.395 120.400 0.316 0.000 2.398 158 D HA 0.172 4.804 4.640 -0.014 0.000 0.210 158 D C -0.271 176.194 176.300 0.274 0.000 1.094 158 D CA -0.298 53.893 54.000 0.318 0.000 0.839 158 D CB 0.229 41.176 40.800 0.246 0.000 0.963 158 D HN 0.260 nan 8.370 nan 0.000 0.506 159 A N 0.096 123.041 122.820 0.208 0.000 2.318 159 A HA 0.749 5.061 4.320 -0.014 0.000 0.324 159 A C 0.270 177.874 177.584 0.033 0.000 1.170 159 A CA -0.235 51.820 52.037 0.031 0.000 0.810 159 A CB 1.549 20.566 19.000 0.029 0.000 1.198 159 A HN 0.221 nan 8.150 nan 0.000 0.484 160 G N 0.478 109.137 108.800 -0.236 0.000 2.730 160 G HA2 0.654 4.606 3.960 -0.014 0.000 0.289 160 G HA3 0.654 4.606 3.960 -0.014 0.000 0.289 160 G C -1.260 173.572 174.900 -0.113 0.000 1.341 160 G CA -0.528 44.504 45.100 -0.114 0.000 0.932 160 G HN 0.518 nan 8.290 nan 0.000 0.481 161 I N 0.631 121.167 120.570 -0.057 0.000 2.534 161 I HA 0.422 4.584 4.170 -0.014 0.000 0.288 161 I C -0.794 175.158 176.117 -0.274 0.000 1.077 161 I CA -0.492 60.682 61.300 -0.211 0.000 1.051 161 I CB 1.700 39.532 38.000 -0.280 0.000 1.234 161 I HN 0.310 nan 8.210 nan 0.000 0.425 162 I N 5.660 126.018 120.570 -0.354 0.000 2.436 162 I HA 0.376 4.538 4.170 -0.014 0.000 0.289 162 I C -0.664 175.142 176.117 -0.519 0.000 1.010 162 I CA -0.621 60.489 61.300 -0.317 0.000 1.098 162 I CB 1.714 39.602 38.000 -0.186 0.000 1.266 162 I HN 0.238 nan 8.210 nan 0.000 0.434 163 F N 5.974 125.808 119.950 -0.194 0.000 2.384 163 F HA 0.529 5.038 4.527 -0.030 0.000 0.338 163 F C 0.632 176.159 175.800 -0.455 0.000 1.103 163 F CA -0.259 57.618 58.000 -0.205 0.000 1.157 163 F CB 1.252 40.221 39.000 -0.052 0.000 1.167 163 F HN 0.221 nan 8.300 nan 0.000 0.529 164 V N -0.681 119.032 119.914 -0.336 0.000 3.109 164 V HA 1.041 5.153 4.120 -0.014 0.000 0.311 164 V C 0.165 176.106 176.094 -0.255 0.000 1.389 164 V CA -0.243 61.482 62.300 -0.958 0.000 1.034 164 V CB 1.008 32.191 31.823 -1.065 0.000 1.105 164 V HN 1.297 nan 8.190 nan 0.000 0.477 165 G N 0.399 109.070 108.800 -0.214 0.000 2.662 165 G HA2 0.314 4.266 3.960 -0.014 0.000 0.236 165 G HA3 0.314 4.266 3.960 -0.014 0.000 0.236 165 G C 0.079 175.274 174.900 0.492 0.000 1.212 165 G CA 0.455 45.661 45.100 0.177 0.000 0.968 165 G HN 2.747 nan 8.290 nan 0.000 0.576 166 S N -2.604 113.296 115.700 0.332 0.000 2.636 166 S HA 0.659 5.121 4.470 -0.014 0.000 0.268 166 S C 1.064 175.615 174.600 -0.081 0.000 1.159 166 S CA 0.844 59.249 58.200 0.341 0.000 0.815 166 S CB 1.007 64.370 63.200 0.271 0.000 1.130 166 S HN 2.310 nan 8.310 nan 0.000 0.471 167 T N -0.218 114.354 114.554 0.031 0.000 2.929 167 T HA -0.096 4.246 4.350 -0.014 0.000 0.271 167 T C 1.127 175.786 174.700 -0.068 0.000 1.085 167 T CA 1.486 63.573 62.100 -0.023 0.000 1.125 167 T CB -0.844 68.141 68.868 0.195 0.000 0.874 167 T HN 0.581 nan 8.240 nan 0.000 0.494 168 N N 2.316 121.002 118.700 -0.023 0.000 2.409 168 N HA 0.018 4.750 4.740 -0.014 0.000 0.179 168 N C 0.458 175.914 175.510 -0.090 0.000 1.032 168 N CA 0.592 53.624 53.050 -0.031 0.000 0.898 168 N CB 0.060 38.558 38.487 0.018 0.000 0.971 168 N HN 0.732 nan 8.380 nan 0.000 0.441 169 R N -0.053 120.372 120.500 -0.125 0.000 2.745 169 R HA 0.380 4.712 4.340 -0.014 0.000 0.290 169 R C -1.428 174.772 176.300 -0.168 0.000 1.260 169 R CA -0.375 55.641 56.100 -0.140 0.000 1.045 169 R CB -0.178 30.083 30.300 -0.066 0.000 1.257 169 R HN -0.134 nan 8.270 nan 0.000 0.400 170 I N 3.041 123.452 120.570 -0.266 0.000 2.379 170 I HA 0.325 4.486 4.170 -0.014 0.000 0.290 170 I C 0.833 176.924 176.117 -0.043 0.000 1.063 170 I CA 0.041 61.208 61.300 -0.222 0.000 1.351 170 I CB 1.276 39.053 38.000 -0.371 0.000 1.410 170 I HN 0.844 nan 8.210 nan 0.000 0.505 171 G N 6.954 115.755 108.800 0.002 0.000 2.753 171 G HA2 0.872 4.824 3.960 -0.014 0.000 0.285 171 G HA3 0.872 4.824 3.960 -0.014 0.000 0.285 171 G C -0.694 174.179 174.900 -0.046 0.000 1.344 171 G CA -0.736 44.347 45.100 -0.029 0.000 1.050 171 G HN 0.604 nan 8.290 nan 0.000 0.532 172 M N -0.986 118.517 119.600 -0.161 0.000 2.534 172 M HA 0.712 5.184 4.480 -0.014 0.000 0.280 172 M C -1.641 174.485 176.300 -0.290 0.000 1.217 172 M CA -0.964 54.136 55.300 -0.332 0.000 0.893 172 M CB 2.358 34.664 32.600 -0.490 0.000 1.730 172 M HN 0.662 nan 8.290 nan 0.000 0.483 173 I N -0.468 119.908 120.570 -0.323 0.000 2.730 173 I HA 0.936 5.097 4.170 -0.014 0.000 0.298 173 I C -0.184 175.841 176.117 -0.154 0.000 1.089 173 I CA -0.817 60.358 61.300 -0.208 0.000 1.041 173 I CB 2.262 40.139 38.000 -0.206 0.000 1.235 173 I HN 0.850 nan 8.210 nan 0.000 0.423 174 G N 3.895 112.640 108.800 -0.092 0.000 2.476 174 G HA2 0.353 4.305 3.960 -0.014 0.000 0.269 174 G HA3 0.353 4.305 3.960 -0.014 0.000 0.269 174 G C -1.712 173.201 174.900 0.022 0.000 1.195 174 G CA -0.449 44.606 45.100 -0.075 0.000 0.843 174 G HN 0.782 nan 8.290 nan 0.000 0.545 175 W N 2.324 123.448 121.300 -0.293 0.000 3.097 175 W HA 0.323 5.092 4.660 0.182 0.000 0.335 175 W C -1.262 174.946 176.519 -0.518 0.000 1.114 175 W CA -0.979 56.156 57.345 -0.350 0.000 1.231 175 W CB 2.088 31.315 29.460 -0.389 0.000 1.388 175 W HN 0.503 nan 8.180 nan 0.000 0.485 176 N N 4.618 122.879 118.700 -0.732 0.000 2.469 176 N HA 0.171 4.903 4.740 -0.014 0.000 0.239 176 N C 0.387 175.719 175.510 -0.297 0.000 1.053 176 N CA -0.059 52.721 53.050 -0.449 0.000 0.937 176 N CB -0.051 38.234 38.487 -0.336 0.000 1.163 176 N HN 0.325 nan 8.380 nan 0.000 0.509 177 F N 2.264 122.278 119.950 0.106 0.000 2.146 177 F HA 0.087 4.562 4.527 -0.087 0.000 0.298 177 F C 2.049 177.866 175.800 0.028 0.000 1.096 177 F CA 0.422 58.515 58.000 0.155 0.000 1.275 177 F CB -0.237 38.839 39.000 0.127 0.000 1.008 177 F HN 0.633 nan 8.300 nan 0.000 0.480 178 G N 1.430 110.325 108.800 0.158 0.000 2.390 178 G HA2 -0.337 3.615 3.960 -0.014 0.000 0.299 178 G HA3 -0.337 3.615 3.960 -0.014 0.000 0.299 178 G C 1.057 175.964 174.900 0.011 0.000 1.002 178 G CA 0.662 45.804 45.100 0.071 0.000 0.979 178 G HN 0.538 nan 8.290 nan 0.000 0.513 179 Q N -1.064 118.641 119.800 -0.158 0.000 2.364 179 Q HA -0.039 4.293 4.340 -0.014 0.000 0.207 179 Q C 1.642 177.518 176.000 -0.208 0.000 0.970 179 Q CA 1.414 57.079 55.803 -0.231 0.000 0.888 179 Q CB -0.242 28.252 28.738 -0.407 0.000 0.951 179 Q HN 0.617 nan 8.270 nan 0.000 0.469 180 F N 1.489 121.495 119.950 0.093 0.000 2.749 180 F HA 0.261 4.786 4.527 -0.002 0.000 0.300 180 F C 0.781 176.660 175.800 0.132 0.000 1.103 180 F CA -0.460 57.574 58.000 0.057 0.000 1.342 180 F CB 0.043 38.978 39.000 -0.109 0.000 1.098 180 F HN -0.120 nan 8.300 nan 0.000 0.586 181 E N 1.543 121.882 120.200 0.231 0.000 2.418 181 E HA -0.078 4.264 4.350 -0.014 0.000 0.261 181 E C 0.188 176.889 176.600 0.168 0.000 1.070 181 E CA -0.153 56.350 56.400 0.172 0.000 0.931 181 E CB 0.268 30.035 29.700 0.111 0.000 0.954 181 E HN 0.314 nan 8.360 nan 0.000 0.439 182 E N 1.146 121.426 120.200 0.133 0.000 2.608 182 E HA -0.207 4.134 4.350 -0.014 0.000 0.259 182 E C -0.111 176.548 176.600 0.098 0.000 0.951 182 E CA 0.601 57.068 56.400 0.113 0.000 0.945 182 E CB 0.119 29.868 29.700 0.082 0.000 0.916 182 E HN 0.474 nan 8.360 nan 0.000 0.477 183 D N 2.522 122.978 120.400 0.093 0.000 2.978 183 D HA -0.237 4.395 4.640 -0.014 0.000 0.205 183 D C 0.681 177.032 176.300 0.084 0.000 1.093 183 D CA 1.310 55.353 54.000 0.072 0.000 1.006 183 D CB -0.724 40.109 40.800 0.056 0.000 1.116 183 D HN 0.499 nan 8.370 nan 0.000 0.419 184 I N 0.542 121.178 120.570 0.111 0.000 2.252 184 I HA -0.155 4.007 4.170 -0.014 0.000 0.245 184 I C 2.669 178.851 176.117 0.108 0.000 1.102 184 I CA 0.822 62.189 61.300 0.112 0.000 1.385 184 I CB -1.030 37.043 38.000 0.121 0.000 1.064 184 I HN 0.316 nan 8.210 nan 0.000 0.414 185 L N -0.048 121.248 121.223 0.122 0.000 2.017 185 L HA -0.265 4.067 4.340 -0.014 0.000 0.208 185 L C 2.779 179.652 176.870 0.006 0.000 1.073 185 L CA 1.723 56.590 54.840 0.046 0.000 0.745 185 L CB -0.190 41.801 42.059 -0.114 0.000 0.894 185 L HN 0.231 nan 8.230 nan 0.000 0.432 186 S N 0.071 115.776 115.700 0.008 0.000 2.359 186 S HA -0.230 4.232 4.470 -0.014 0.000 0.223 186 S C 1.899 176.516 174.600 0.027 0.000 1.039 186 S CA 1.744 59.943 58.200 -0.001 0.000 1.042 186 S CB -0.342 62.860 63.200 0.003 0.000 0.915 186 S HN 0.430 nan 8.310 nan 0.000 0.439 187 I N 0.867 121.476 120.570 0.065 0.000 2.208 187 I HA -0.232 3.930 4.170 -0.014 0.000 0.245 187 I C 2.524 178.716 176.117 0.125 0.000 1.097 187 I CA 1.011 62.383 61.300 0.120 0.000 1.363 187 I CB -0.571 37.527 38.000 0.163 0.000 1.051 187 I HN 0.429 nan 8.210 nan 0.000 0.413 188 C N 0.600 119.950 119.300 0.082 0.000 2.425 188 C HA -0.114 4.338 4.460 -0.014 0.000 0.277 188 C C 2.736 177.755 174.990 0.047 0.000 1.280 188 C CA 0.536 59.591 59.018 0.061 0.000 1.744 188 C CB -0.984 26.794 27.740 0.062 0.000 1.989 188 C HN 0.455 nan 8.230 nan 0.000 0.491 189 L N 1.592 122.831 121.223 0.027 0.000 2.093 189 L HA -0.121 4.211 4.340 -0.014 0.000 0.208 189 L C 2.762 179.622 176.870 -0.016 0.000 1.085 189 L CA 1.897 56.737 54.840 -0.001 0.000 0.755 189 L CB -0.656 41.384 42.059 -0.032 0.000 0.904 189 L HN 0.468 nan 8.230 nan 0.000 0.435 190 S N -0.084 115.617 115.700 0.003 0.000 2.419 190 S HA -0.148 4.314 4.470 -0.014 0.000 0.233 190 S C 1.908 176.521 174.600 0.022 0.000 1.016 190 S CA 0.774 58.964 58.200 -0.016 0.000 0.974 190 S CB -0.685 62.521 63.200 0.010 0.000 0.786 190 S HN 0.365 nan 8.310 nan 0.000 0.492 191 I N 1.548 122.175 120.570 0.095 0.000 2.208 191 I HA -0.190 3.972 4.170 -0.014 0.000 0.245 191 I C 2.298 178.428 176.117 0.020 0.000 1.097 191 I CA 1.336 62.702 61.300 0.110 0.000 1.363 191 I CB -0.435 37.582 38.000 0.028 0.000 1.051 191 I HN 0.324 nan 8.210 nan 0.000 0.413 192 L N 0.031 121.241 121.223 -0.021 0.000 2.191 192 L HA -0.201 4.131 4.340 -0.014 0.000 0.212 192 L C 1.433 178.176 176.870 -0.211 0.000 1.103 192 L CA 1.027 55.846 54.840 -0.036 0.000 0.769 192 L CB -0.661 41.404 42.059 0.011 0.000 0.908 192 L HN 0.279 nan 8.230 nan 0.000 0.438 193 D N -0.178 119.975 120.400 -0.412 0.000 2.349 193 D HA -0.015 4.616 4.640 -0.014 0.000 0.224 193 D C 1.627 177.492 176.300 -0.725 0.000 1.029 193 D CA 0.438 53.800 54.000 -1.063 0.000 0.879 193 D CB 0.236 40.578 40.800 -0.764 0.000 0.906 193 D HN 0.191 nan 8.370 nan 0.000 0.528 194 R N 0.183 120.553 120.500 -0.217 0.000 2.509 194 R HA 0.115 4.447 4.340 -0.014 0.000 0.297 194 R C 0.663 177.034 176.300 0.119 0.000 0.951 194 R CA -0.050 56.059 56.100 0.015 0.000 1.103 194 R CB 0.417 30.787 30.300 0.117 0.000 1.283 194 R HN 0.093 nan 8.270 nan 0.000 0.534 195 S N -0.232 115.540 115.700 0.120 0.000 2.600 195 S HA 0.192 4.654 4.470 -0.014 0.000 0.265 195 S C 1.608 176.315 174.600 0.178 0.000 1.325 195 S CA -0.517 57.765 58.200 0.136 0.000 1.002 195 S CB 0.974 64.235 63.200 0.103 0.000 0.921 195 S HN 0.114 nan 8.310 nan 0.000 0.554 196 L N 1.141 122.438 121.223 0.123 0.000 2.131 196 L HA -0.131 4.201 4.340 -0.014 0.000 0.210 196 L C 2.218 179.163 176.870 0.125 0.000 1.092 196 L CA 1.375 56.283 54.840 0.112 0.000 0.759 196 L CB -1.031 41.072 42.059 0.073 0.000 0.903 196 L HN 0.660 nan 8.230 nan 0.000 0.435 197 N N 0.254 119.035 118.700 0.135 0.000 2.084 197 N HA -0.233 4.499 4.740 -0.014 0.000 0.190 197 N C 1.651 177.284 175.510 0.206 0.000 1.030 197 N CA 1.347 54.497 53.050 0.168 0.000 0.849 197 N CB -0.552 38.061 38.487 0.210 0.000 1.012 197 N HN 0.187 nan 8.380 nan 0.000 0.423 198 F N 1.821 121.836 119.950 0.108 0.000 2.126 198 F HA -0.084 4.436 4.527 -0.012 0.000 0.299 198 F C 2.097 177.949 175.800 0.088 0.000 1.096 198 F CA 1.338 59.401 58.000 0.104 0.000 1.255 198 F CB 0.056 39.112 39.000 0.093 0.000 0.997 198 F HN -0.076 nan 8.300 nan 0.000 0.479 199 R N -0.318 120.307 120.500 0.207 0.000 2.092 199 R HA -0.135 4.197 4.340 -0.014 0.000 0.231 199 R C 2.351 178.655 176.300 0.006 0.000 1.119 199 R CA 1.401 57.561 56.100 0.100 0.000 0.970 199 R CB -0.439 29.947 30.300 0.143 0.000 0.864 199 R HN 0.260 nan 8.270 nan 0.000 0.440 200 R N 0.293 120.807 120.500 0.023 0.000 2.092 200 R HA -0.074 4.258 4.340 -0.014 0.000 0.231 200 R C -0.049 176.226 176.300 -0.042 0.000 1.119 200 R CA 1.296 57.398 56.100 0.003 0.000 0.970 200 R CB 0.325 30.643 30.300 0.030 0.000 0.864 200 R HN 0.001 nan 8.270 nan 0.000 0.440 201 D N -1.806 118.551 120.400 -0.072 0.000 2.474 201 D HA 0.125 4.757 4.640 -0.014 0.000 0.234 201 D C -0.024 176.174 176.300 -0.169 0.000 1.323 201 D CA 0.169 54.102 54.000 -0.112 0.000 0.915 201 D CB 0.964 41.725 40.800 -0.064 0.000 1.487 201 D HN 0.121 nan 8.370 nan 0.000 0.524 202 A N 2.678 125.305 122.820 -0.323 0.000 1.883 202 A HA -0.029 4.283 4.320 -0.014 0.000 0.217 202 A C 2.215 179.737 177.584 -0.102 0.000 1.186 202 A CA 2.234 53.955 52.037 -0.527 0.000 0.624 202 A CB -0.479 18.113 19.000 -0.679 0.000 0.822 202 A HN 0.616 nan 8.150 nan 0.000 0.444 203 A N -1.118 121.707 122.820 0.008 0.000 1.883 203 A HA -0.142 4.170 4.320 -0.014 0.000 0.217 203 A C 2.332 179.916 177.584 0.000 0.000 1.186 203 A CA 2.498 54.565 52.037 0.049 0.000 0.624 203 A CB -1.358 17.603 19.000 -0.065 0.000 0.822 203 A HN 0.453 nan 8.150 nan 0.000 0.444 204 T N -0.607 113.924 114.554 -0.038 0.000 2.857 204 T HA -0.100 4.242 4.350 -0.014 0.000 0.266 204 T C 1.651 176.317 174.700 -0.057 0.000 1.048 204 T CA 1.545 63.618 62.100 -0.046 0.000 1.139 204 T CB -0.388 68.452 68.868 -0.046 0.000 0.874 204 T HN 0.729 nan 8.240 nan 0.000 0.455 205 D N 1.002 121.409 120.400 0.013 0.000 2.092 205 D HA -0.108 4.524 4.640 -0.014 0.000 0.193 205 D C 2.031 178.385 176.300 0.090 0.000 0.994 205 D CA 1.005 55.071 54.000 0.111 0.000 0.828 205 D CB -0.277 40.702 40.800 0.298 0.000 0.963 205 D HN 0.154 nan 8.370 nan 0.000 0.450 206 V N 0.669 120.662 119.914 0.131 0.000 2.407 206 V HA -0.183 3.929 4.120 -0.014 0.000 0.248 206 V C 2.544 178.653 176.094 0.025 0.000 1.055 206 V CA 1.688 64.053 62.300 0.108 0.000 1.049 206 V CB -0.910 30.979 31.823 0.110 0.000 0.662 206 V HN 0.394 nan 8.190 nan 0.000 0.455 207 A N -0.532 122.284 122.820 -0.008 0.000 2.015 207 A HA -0.152 4.160 4.320 -0.014 0.000 0.219 207 A C 2.337 179.875 177.584 -0.076 0.000 1.163 207 A CA 1.908 53.933 52.037 -0.019 0.000 0.646 207 A CB -0.447 18.541 19.000 -0.020 0.000 0.806 207 A HN 0.512 nan 8.150 nan 0.000 0.448 208 S N -0.587 114.983 115.700 -0.217 0.000 2.603 208 S HA 0.025 4.486 4.470 -0.014 0.000 0.220 208 S C 1.438 175.903 174.600 -0.225 0.000 0.967 208 S CA 0.074 58.014 58.200 -0.434 0.000 0.920 208 S CB -0.152 62.312 63.200 -1.227 0.000 0.773 208 S HN 0.583 nan 8.310 nan 0.000 0.529 209 R N 2.058 122.546 120.500 -0.021 0.000 2.346 209 R HA 0.042 4.374 4.340 -0.014 0.000 0.199 209 R C 1.240 177.614 176.300 0.124 0.000 1.015 209 R CA 0.692 56.871 56.100 0.133 0.000 1.058 209 R CB -0.518 29.846 30.300 0.106 0.000 0.921 209 R HN 0.675 nan 8.270 nan 0.000 0.475 210 N N -0.822 117.947 118.700 0.115 0.000 2.280 210 N HA -0.054 4.677 4.740 -0.014 0.000 0.192 210 N C -0.281 175.397 175.510 0.280 0.000 1.109 210 N CA -0.229 52.912 53.050 0.152 0.000 0.855 210 N CB 0.414 38.969 38.487 0.114 0.000 0.974 210 N HN -0.102 nan 8.380 nan 0.000 0.482 211 D N 1.296 121.848 120.400 0.254 0.000 2.414 211 D HA 0.211 4.843 4.640 -0.014 0.000 0.232 211 D C -1.574 174.786 176.300 0.100 0.000 1.070 211 D CA -2.715 51.384 54.000 0.164 0.000 0.839 211 D CB 1.843 42.698 40.800 0.092 0.000 1.079 211 D HN -0.054 nan 8.370 nan 0.000 0.521 212 P HA -0.158 nan 4.420 nan 0.000 0.220 212 P C 0.843 177.647 177.300 -0.827 0.000 1.148 212 P CA 0.925 63.562 63.100 -0.772 0.000 0.803 212 P CB 0.553 31.501 31.700 -1.254 0.000 0.782 213 K N -1.035 118.927 120.400 -0.730 0.000 2.057 213 K HA -0.177 4.135 4.320 -0.014 0.000 0.207 213 K C 2.424 178.930 176.600 -0.156 0.000 1.049 213 K CA 1.366 57.410 56.287 -0.405 0.000 0.931 213 K CB -0.661 31.794 32.500 -0.075 0.000 0.714 213 K HN 0.154 nan 8.250 nan 0.000 0.440 214 Y N 1.421 121.623 120.300 -0.164 0.000 2.153 214 Y HA -0.198 4.347 4.550 -0.009 0.000 0.289 214 Y C 2.050 177.910 175.900 -0.066 0.000 1.127 214 Y CA 1.018 59.064 58.100 -0.090 0.000 1.131 214 Y CB -0.189 38.262 38.460 -0.015 0.000 0.995 214 Y HN -0.269 nan 8.280 nan 0.000 0.505 215 V N 0.281 120.257 119.914 0.103 0.000 2.343 215 V HA -0.281 3.831 4.120 -0.014 0.000 0.247 215 V C 2.576 178.634 176.094 -0.061 0.000 1.051 215 V CA 1.940 64.281 62.300 0.067 0.000 1.036 215 V CB -1.605 30.373 31.823 0.259 0.000 0.654 215 V HN 0.646 nan 8.190 nan 0.000 0.451 216 G N -0.435 108.303 108.800 -0.104 0.000 2.421 216 G HA2 -0.302 3.650 3.960 -0.014 0.000 0.216 216 G HA3 -0.302 3.650 3.960 -0.014 0.000 0.216 216 G C 1.722 176.563 174.900 -0.098 0.000 1.171 216 G CA 0.971 46.037 45.100 -0.055 0.000 0.775 216 G HN 0.439 nan 8.290 nan 0.000 0.543 217 R N -0.249 120.132 120.500 -0.199 0.000 2.081 217 R HA -0.021 4.311 4.340 -0.014 0.000 0.235 217 R C 2.661 178.808 176.300 -0.255 0.000 1.131 217 R CA 1.348 57.286 56.100 -0.270 0.000 0.960 217 R CB -0.433 29.599 30.300 -0.447 0.000 0.856 217 R HN 0.231 nan 8.270 nan 0.000 0.436 218 V N 1.331 121.048 119.914 -0.328 0.000 2.332 218 V HA -0.270 3.842 4.120 -0.014 0.000 0.248 218 V C 2.319 178.333 176.094 -0.133 0.000 1.055 218 V CA 1.797 63.939 62.300 -0.265 0.000 1.038 218 V CB -0.361 31.271 31.823 -0.319 0.000 0.651 218 V HN 0.367 nan 8.190 nan 0.000 0.450 219 L N 0.666 121.830 121.223 -0.098 0.000 2.083 219 L HA -0.151 4.181 4.340 -0.014 0.000 0.209 219 L C 2.666 179.509 176.870 -0.043 0.000 1.083 219 L CA 1.789 56.598 54.840 -0.052 0.000 0.752 219 L CB -0.702 41.347 42.059 -0.017 0.000 0.899 219 L HN 0.573 nan 8.230 nan 0.000 0.433 220 S N -0.282 115.389 115.700 -0.048 0.000 2.447 220 S HA -0.087 4.375 4.470 -0.014 0.000 0.233 220 S C 1.952 176.532 174.600 -0.032 0.000 1.006 220 S CA 0.776 58.959 58.200 -0.029 0.000 0.957 220 S CB -0.120 63.057 63.200 -0.037 0.000 0.773 220 S HN 0.357 nan 8.310 nan 0.000 0.507 221 A N 1.292 124.084 122.820 -0.047 0.000 1.956 221 A HA 0.414 4.726 4.320 -0.014 0.000 0.212 221 A C 2.157 179.738 177.584 -0.005 0.000 1.188 221 A CA 0.657 52.682 52.037 -0.019 0.000 0.675 221 A CB -0.344 18.633 19.000 -0.038 0.000 0.845 221 A HN 0.476 nan 8.150 nan 0.000 0.455 222 M N 0.029 119.611 119.600 -0.031 0.000 2.558 222 M HA 0.127 4.599 4.480 -0.014 0.000 0.255 222 M C 1.329 177.561 176.300 -0.114 0.000 1.113 222 M CA 0.639 55.909 55.300 -0.050 0.000 1.097 222 M CB -0.577 31.990 32.600 -0.056 0.000 1.426 222 M HN 0.263 nan 8.290 nan 0.000 0.488 223 I N 0.754 121.283 120.570 -0.068 0.000 2.761 223 I HA -0.132 4.030 4.170 -0.014 0.000 0.261 223 I C 0.654 176.807 176.117 0.060 0.000 1.198 223 I CA 0.500 61.765 61.300 -0.058 0.000 1.482 223 I CB -1.371 36.648 38.000 0.031 0.000 1.100 223 I HN 0.336 nan 8.210 nan 0.000 0.445 224 N N -0.296 118.464 118.700 0.099 0.000 2.472 224 N HA 0.097 4.829 4.740 -0.014 0.000 0.289 224 N C 0.673 176.237 175.510 0.091 0.000 1.156 224 N CA -0.163 53.008 53.050 0.201 0.000 0.940 224 N CB 0.787 39.283 38.487 0.015 0.000 1.200 224 N HN -0.054 nan 8.380 nan 0.000 0.511 225 S N -0.647 115.123 115.700 0.117 0.000 2.575 225 S HA 0.080 4.542 4.470 -0.014 0.000 0.215 225 S C 0.220 174.872 174.600 0.087 0.000 0.966 225 S CA -0.691 57.570 58.200 0.102 0.000 0.911 225 S CB -0.893 62.379 63.200 0.120 0.000 0.780 225 S HN 0.565 nan 8.310 nan 0.000 0.514 226 N N 2.449 121.172 118.700 0.038 0.000 2.340 226 N HA 0.006 4.738 4.740 -0.014 0.000 0.236 226 N C -0.518 175.071 175.510 0.132 0.000 1.296 226 N CA 0.738 53.796 53.050 0.013 0.000 0.896 226 N CB 0.080 38.426 38.487 -0.236 0.000 1.127 226 N HN 0.236 nan 8.380 nan 0.000 0.442 227 D N 0.437 120.947 120.400 0.183 0.000 2.945 227 D HA -0.159 4.473 4.640 -0.014 0.000 0.225 227 D C -0.805 175.569 176.300 0.123 0.000 1.158 227 D CA 0.703 54.804 54.000 0.169 0.000 0.805 227 D CB -1.106 39.797 40.800 0.172 0.000 1.098 227 D HN 0.659 nan 8.370 nan 0.000 0.426 228 D N -0.589 119.879 120.400 0.113 0.000 2.701 228 D HA -0.234 4.398 4.640 -0.014 0.000 0.235 228 D C -0.055 176.316 176.300 0.118 0.000 1.155 228 D CA 1.375 55.438 54.000 0.105 0.000 0.649 228 D CB -1.329 39.525 40.800 0.089 0.000 1.050 228 D HN 0.537 nan 8.370 nan 0.000 0.425 229 N N -0.449 118.331 118.700 0.133 0.000 2.976 229 N HA 0.477 5.209 4.740 -0.014 0.000 0.249 229 N C -0.476 175.129 175.510 0.158 0.000 1.258 229 N CA 0.399 53.544 53.050 0.159 0.000 0.864 229 N CB 0.951 39.520 38.487 0.136 0.000 1.551 229 N HN 0.275 nan 8.380 nan 0.000 0.607 230 G N -0.191 108.735 108.800 0.211 0.000 2.317 230 G HA2 0.225 4.176 3.960 -0.014 0.000 0.293 230 G HA3 0.225 4.176 3.960 -0.014 0.000 0.293 230 G C -0.370 174.508 174.900 -0.035 0.000 1.287 230 G CA -0.064 45.080 45.100 0.073 0.000 0.850 230 G HN 0.203 nan 8.290 nan 0.000 0.515 231 V N -0.223 119.437 119.914 -0.423 0.000 2.326 231 V HA 0.311 4.423 4.120 -0.014 0.000 0.237 231 V C 1.192 177.123 176.094 -0.271 0.000 1.044 231 V CA 0.994 62.839 62.300 -0.758 0.000 1.035 231 V CB -0.629 30.633 31.823 -0.935 0.000 0.675 231 V HN 0.444 nan 8.190 nan 0.000 0.470 232 L N 0.723 121.840 121.223 -0.176 0.000 2.307 232 L HA 0.647 4.979 4.340 -0.014 0.000 0.282 232 L C 0.021 176.928 176.870 0.062 0.000 1.051 232 L CA -0.255 54.491 54.840 -0.158 0.000 0.804 232 L CB 1.232 42.989 42.059 -0.503 0.000 1.197 232 L HN 0.238 nan 8.230 nan 0.000 0.431 233 A N 2.430 125.272 122.820 0.037 0.000 2.260 233 A HA 0.633 4.945 4.320 -0.014 0.000 0.308 233 A C 0.374 178.107 177.584 0.248 0.000 1.254 233 A CA -0.318 51.830 52.037 0.184 0.000 0.874 233 A CB 0.477 19.588 19.000 0.185 0.000 1.153 233 A HN 0.762 nan 8.150 nan 0.000 0.527 234 G N 1.096 110.114 108.800 0.363 0.000 2.432 234 G HA2 0.434 4.386 3.960 -0.014 0.000 0.257 234 G HA3 0.434 4.386 3.960 -0.014 0.000 0.257 234 G C -0.222 174.728 174.900 0.084 0.000 1.238 234 G CA -0.416 44.837 45.100 0.256 0.000 0.838 234 G HN 0.895 nan 8.290 nan 0.000 0.547 235 N N 0.820 119.316 118.700 -0.340 0.000 2.616 235 N HA 0.131 4.863 4.740 -0.014 0.000 0.281 235 N C -0.542 174.856 175.510 -0.186 0.000 1.145 235 N CA -0.748 52.217 53.050 -0.141 0.000 0.919 235 N CB 1.011 39.287 38.487 -0.353 0.000 1.509 235 N HN 0.613 nan 8.380 nan 0.000 0.537 236 W N 2.753 124.099 121.300 0.077 0.000 2.693 236 W HA 0.138 4.776 4.660 -0.036 0.000 0.415 236 W C 1.381 177.900 176.519 0.001 0.000 0.932 236 W CA -0.272 57.099 57.345 0.044 0.000 2.200 236 W CB 0.623 29.996 29.460 -0.145 0.000 1.188 236 W HN 0.585 nan 8.180 nan 0.000 0.665 237 S N -0.898 114.864 115.700 0.102 0.000 2.501 237 S HA 0.198 4.660 4.470 -0.014 0.000 0.220 237 S C 1.820 176.333 174.600 -0.146 0.000 0.997 237 S CA 1.015 59.190 58.200 -0.042 0.000 0.919 237 S CB 0.255 63.379 63.200 -0.127 0.000 0.778 237 S HN 0.362 nan 8.310 nan 0.000 0.523 238 G N 0.111 108.738 108.800 -0.289 0.000 2.217 238 G HA2 -0.206 3.746 3.960 -0.014 0.000 0.246 238 G HA3 -0.206 3.746 3.960 -0.014 0.000 0.246 238 G C 0.188 174.643 174.900 -0.742 0.000 0.990 238 G CA 0.303 45.224 45.100 -0.299 0.000 0.627 238 G HN 0.682 nan 8.290 nan 0.000 0.522 239 T N 0.574 114.562 114.554 -0.943 0.000 2.786 239 T HA 0.583 4.925 4.350 -0.014 0.000 0.283 239 T C -0.506 173.642 174.700 -0.921 0.000 0.992 239 T CA -0.258 61.421 62.100 -0.702 0.000 0.954 239 T CB 0.995 69.678 68.868 -0.308 0.000 0.934 239 T HN 0.236 nan 8.240 nan 0.000 0.440 240 Y N 0.945 121.220 120.300 -0.042 0.000 2.716 240 Y HA 0.254 4.800 4.550 -0.007 0.000 0.260 240 Y C 1.327 177.327 175.900 0.166 0.000 1.141 240 Y CA -1.014 57.084 58.100 -0.003 0.000 1.168 240 Y CB -0.538 37.963 38.460 0.068 0.000 1.189 240 Y HN 0.470 nan 8.280 nan 0.000 0.549 241 T N 0.360 115.004 114.554 0.151 0.000 2.937 241 T HA 0.299 4.641 4.350 -0.014 0.000 0.316 241 T C 1.408 176.243 174.700 0.226 0.000 1.079 241 T CA 1.342 63.527 62.100 0.142 0.000 1.131 241 T CB 0.466 69.374 68.868 0.065 0.000 1.000 241 T HN 0.783 nan 8.240 nan 0.000 0.549 242 G N 0.736 109.623 108.800 0.146 0.000 2.159 242 G HA2 0.033 3.985 3.960 -0.014 0.000 0.256 242 G HA3 0.033 3.985 3.960 -0.014 0.000 0.256 242 G C 0.351 175.286 174.900 0.059 0.000 0.977 242 G CA 0.150 45.318 45.100 0.112 0.000 0.652 242 G HN 1.298 nan 8.290 nan 0.000 0.531 243 G N -1.431 107.433 108.800 0.107 0.000 2.650 243 G HA2 0.665 4.617 3.960 -0.014 0.000 0.310 243 G HA3 0.665 4.617 3.960 -0.014 0.000 0.310 243 G C -0.979 173.936 174.900 0.024 0.000 1.270 243 G CA -0.743 44.324 45.100 -0.056 0.000 0.810 243 G HN 0.443 nan 8.290 nan 0.000 0.493 244 R N 0.489 120.956 120.500 -0.056 0.000 2.532 244 R HA 0.335 4.667 4.340 -0.014 0.000 0.295 244 R C -1.055 175.150 176.300 -0.158 0.000 0.968 244 R CA -0.802 55.172 56.100 -0.210 0.000 0.916 244 R CB 1.924 31.829 30.300 -0.659 0.000 1.124 244 R HN 0.542 nan 8.270 nan 0.000 0.463 245 D N 3.536 123.819 120.400 -0.195 0.000 2.487 245 D HA -0.014 4.618 4.640 -0.014 0.000 0.243 245 D C -1.558 174.512 176.300 -0.383 0.000 1.154 245 D CA -1.493 52.298 54.000 -0.348 0.000 0.876 245 D CB 1.301 42.034 40.800 -0.111 0.000 1.161 245 D HN 0.184 nan 8.370 nan 0.000 0.478 246 P HA -0.156 nan 4.420 nan 0.000 0.217 246 P C 0.926 178.360 177.300 0.224 0.000 1.151 246 P CA 1.377 64.401 63.100 -0.126 0.000 0.849 246 P CB 0.159 31.616 31.700 -0.406 0.000 0.787 247 R N -0.631 120.024 120.500 0.259 0.000 2.307 247 R HA 0.033 4.365 4.340 -0.014 0.000 0.199 247 R C 2.119 178.553 176.300 0.224 0.000 1.000 247 R CA 1.233 57.607 56.100 0.456 0.000 1.023 247 R CB -0.639 29.843 30.300 0.304 0.000 0.908 247 R HN 0.351 nan 8.270 nan 0.000 0.473 248 S N -0.230 115.476 115.700 0.009 0.000 2.446 248 S HA -0.068 4.394 4.470 -0.014 0.000 0.225 248 S C 0.520 175.062 174.600 -0.097 0.000 1.016 248 S CA -0.377 57.751 58.200 -0.120 0.000 0.943 248 S CB -0.265 62.758 63.200 -0.295 0.000 0.786 248 S HN 0.256 nan 8.310 nan 0.000 0.508 249 W N 2.279 123.599 121.300 0.034 0.000 2.187 249 W HA 0.274 4.934 4.660 -0.000 0.000 0.348 249 W C 0.646 177.065 176.519 -0.167 0.000 1.282 249 W CA -0.369 56.940 57.345 -0.060 0.000 1.271 249 W CB 0.331 29.803 29.460 0.019 0.000 1.170 249 W HN 0.159 nan 8.180 nan 0.000 0.583 250 D N 0.572 120.879 120.400 -0.154 0.000 2.500 250 D HA 0.256 4.888 4.640 -0.014 0.000 0.217 250 D C 0.610 176.293 176.300 -1.028 0.000 1.159 250 D CA 0.282 54.036 54.000 -0.411 0.000 0.828 250 D CB 0.906 41.564 40.800 -0.236 0.000 1.039 250 D HN 0.458 nan 8.370 nan 0.000 0.512 251 G N -0.734 107.243 108.800 -1.372 0.000 2.441 251 G HA2 0.238 4.190 3.960 -0.014 0.000 0.294 251 G HA3 0.238 4.190 3.960 -0.014 0.000 0.294 251 G C 0.080 174.558 174.900 -0.703 0.000 1.393 251 G CA -0.287 43.834 45.100 -1.631 0.000 0.796 251 G HN -0.143 nan 8.290 nan 0.000 0.494 252 S N -0.756 114.864 115.700 -0.134 0.000 2.470 252 S HA 0.014 4.476 4.470 -0.014 0.000 0.225 252 S C 2.444 177.043 174.600 -0.002 0.000 1.006 252 S CA 0.923 59.210 58.200 0.145 0.000 0.934 252 S CB 0.195 63.614 63.200 0.364 0.000 0.778 252 S HN 0.466 nan 8.310 nan 0.000 0.517 253 V N 2.509 122.402 119.914 -0.036 0.000 2.255 253 V HA -0.165 3.946 4.120 -0.014 0.000 0.247 253 V C 2.573 178.664 176.094 -0.005 0.000 1.051 253 V CA 1.670 63.966 62.300 -0.007 0.000 1.018 253 V CB -0.554 31.262 31.823 -0.012 0.000 0.641 253 V HN 0.364 nan 8.190 nan 0.000 0.445 254 E N -0.075 120.117 120.200 -0.013 0.000 2.110 254 E HA -0.129 4.213 4.350 -0.014 0.000 0.193 254 E C 2.145 178.751 176.600 0.010 0.000 0.988 254 E CA 1.201 57.634 56.400 0.054 0.000 0.804 254 E CB -0.344 29.463 29.700 0.178 0.000 0.745 254 E HN 0.595 nan 8.360 nan 0.000 0.458 255 I N 0.724 121.182 120.570 -0.187 0.000 2.163 255 I HA -0.287 3.875 4.170 -0.014 0.000 0.243 255 I C 2.439 178.499 176.117 -0.096 0.000 1.085 255 I CA 1.029 62.119 61.300 -0.349 0.000 1.347 255 I CB -0.326 37.326 38.000 -0.581 0.000 1.044 255 I HN 0.057 nan 8.210 nan 0.000 0.408 256 L N 0.336 121.538 121.223 -0.035 0.000 2.056 256 L HA -0.190 4.142 4.340 -0.014 0.000 0.207 256 L C 2.548 179.524 176.870 0.177 0.000 1.078 256 L CA 1.451 56.341 54.840 0.084 0.000 0.749 256 L CB -0.514 41.583 42.059 0.063 0.000 0.901 256 L HN 0.167 nan 8.230 nan 0.000 0.433 257 K N -0.273 120.191 120.400 0.106 0.000 2.148 257 K HA -0.102 4.210 4.320 -0.014 0.000 0.204 257 K C 1.848 178.507 176.600 0.098 0.000 1.050 257 K CA 1.047 57.392 56.287 0.096 0.000 0.942 257 K CB -0.124 32.416 32.500 0.066 0.000 0.724 257 K HN 0.228 nan 8.250 nan 0.000 0.446 258 N N 0.229 118.996 118.700 0.111 0.000 2.188 258 N HA -0.162 4.570 4.740 -0.014 0.000 0.184 258 N C 1.216 176.810 175.510 0.140 0.000 1.018 258 N CA 0.791 53.908 53.050 0.112 0.000 0.858 258 N CB -0.269 38.301 38.487 0.140 0.000 0.989 258 N HN 0.284 nan 8.380 nan 0.000 0.426 259 W N 2.456 123.738 121.300 -0.030 0.000 2.355 259 W HA -0.103 4.561 4.660 0.006 0.000 0.309 259 W C 2.323 178.830 176.519 -0.020 0.000 1.206 259 W CA 1.526 58.852 57.345 -0.032 0.000 1.284 259 W CB -0.327 29.107 29.460 -0.044 0.000 1.145 259 W HN -0.025 nan 8.180 nan 0.000 0.502 260 K N 0.682 121.086 120.400 0.007 0.000 2.001 260 K HA -0.244 4.068 4.320 -0.014 0.000 0.208 260 K C 2.269 178.776 176.600 -0.154 0.000 1.048 260 K CA 1.866 58.045 56.287 -0.181 0.000 0.932 260 K CB -0.555 31.926 32.500 -0.032 0.000 0.715 260 K HN 0.040 nan 8.250 nan 0.000 0.437 261 K N 0.569 120.935 120.400 -0.057 0.000 2.152 261 K HA -0.108 4.204 4.320 -0.014 0.000 0.206 261 K C 1.470 178.031 176.600 -0.065 0.000 1.048 261 K CA 1.752 58.011 56.287 -0.046 0.000 0.933 261 K CB -0.072 32.425 32.500 -0.005 0.000 0.721 261 K HN 0.277 nan 8.250 nan 0.000 0.447 262 S N -1.049 114.603 115.700 -0.080 0.000 2.634 262 S HA 0.177 4.639 4.470 -0.014 0.000 0.221 262 S C 0.855 175.375 174.600 -0.132 0.000 0.952 262 S CA 0.123 58.276 58.200 -0.077 0.000 0.930 262 S CB 0.426 63.605 63.200 -0.035 0.000 0.780 262 S HN 0.452 nan 8.310 nan 0.000 0.498 263 G N 1.831 110.514 108.800 -0.196 0.000 2.198 263 G HA2 -0.251 3.701 3.960 -0.014 0.000 0.257 263 G HA3 -0.251 3.701 3.960 -0.014 0.000 0.257 263 G C 0.393 175.092 174.900 -0.334 0.000 1.042 263 G CA -0.103 44.862 45.100 -0.226 0.000 0.791 263 G HN 1.214 nan 8.290 nan 0.000 0.502 264 L N -2.174 118.694 121.223 -0.592 0.000 4.089 264 L HA -0.223 4.109 4.340 -0.014 0.000 0.408 264 L C 1.220 177.927 176.870 -0.272 0.000 1.184 264 L CA 0.673 54.947 54.840 -0.942 0.000 0.947 264 L CB -2.631 38.928 42.059 -0.833 0.000 2.066 264 L HN 1.130 nan 8.230 nan 0.000 0.851 265 S N -1.525 114.111 115.700 -0.107 0.000 2.610 265 S HA 0.689 5.151 4.470 -0.014 0.000 0.273 265 S C -2.141 172.572 174.600 0.188 0.000 1.274 265 S CA -1.479 56.752 58.200 0.052 0.000 1.023 265 S CB 1.246 64.455 63.200 0.015 0.000 0.962 265 S HN -0.002 nan 8.310 nan 0.000 0.523 266 P HA 0.067 nan 4.420 nan 0.000 0.261 266 P C -0.910 176.442 177.300 0.088 0.000 1.173 266 P CA -0.068 63.123 63.100 0.151 0.000 0.760 266 P CB 0.221 31.981 31.700 0.101 0.000 0.783 267 V N 6.225 126.179 119.914 0.066 0.000 2.408 267 V HA 0.174 4.286 4.120 -0.014 0.000 0.267 267 V C 0.858 176.902 176.094 -0.083 0.000 1.047 267 V CA -0.040 62.265 62.300 0.008 0.000 0.937 267 V CB 0.090 31.881 31.823 -0.053 0.000 0.999 267 V HN 0.442 nan 8.190 nan 0.000 0.472 268 R N 4.919 125.307 120.500 -0.187 0.000 2.294 268 R HA 0.655 4.987 4.340 -0.014 0.000 0.319 268 R C -1.466 174.701 176.300 -0.221 0.000 0.984 268 R CA -0.437 55.290 56.100 -0.623 0.000 0.861 268 R CB 1.303 30.727 30.300 -1.460 0.000 1.104 268 R HN 0.595 nan 8.270 nan 0.000 0.451 269 Y N -0.309 120.105 120.300 0.190 0.000 2.609 269 Y HA 0.659 5.198 4.550 -0.019 0.000 0.342 269 Y C 0.590 176.440 175.900 -0.084 0.000 1.058 269 Y CA -0.918 57.190 58.100 0.013 0.000 1.055 269 Y CB 2.621 41.060 38.460 -0.034 0.000 1.292 269 Y HN 0.705 nan 8.280 nan 0.000 0.476 270 G N 0.327 108.997 108.800 -0.218 0.000 2.605 270 G HA2 0.704 4.656 3.960 -0.014 0.000 0.296 270 G HA3 0.704 4.656 3.960 -0.014 0.000 0.296 270 G C -1.686 172.737 174.900 -0.795 0.000 1.304 270 G CA -0.726 43.998 45.100 -0.626 0.000 0.941 270 G HN 0.478 nan 8.290 nan 0.000 0.475 271 Q N -1.210 118.052 119.800 -0.897 0.000 2.633 271 Q HA 0.277 4.609 4.340 -0.014 0.000 0.292 271 Q C 1.718 177.723 176.000 0.009 0.000 1.089 271 Q CA -0.580 54.868 55.803 -0.591 0.000 0.811 271 Q CB 2.024 30.354 28.738 -0.681 0.000 1.472 271 Q HN 0.826 nan 8.270 nan 0.000 0.464 272 C N -0.807 118.962 119.300 0.781 0.000 2.391 272 C HA -0.169 4.282 4.460 -0.014 0.000 0.276 272 C C 2.127 177.361 174.990 0.407 0.000 1.217 272 C CA 1.432 60.945 59.018 0.826 0.000 1.766 272 C CB -1.675 26.728 27.740 1.105 0.000 2.046 272 C HN 1.016 nan 8.230 nan 0.000 0.475 273 W N 1.961 123.397 121.300 0.227 0.000 2.402 273 W HA 0.139 4.750 4.660 -0.080 0.000 0.286 273 W C 1.809 178.114 176.519 -0.356 0.000 1.221 273 W CA 1.145 58.450 57.345 -0.067 0.000 1.257 273 W CB -1.117 28.286 29.460 -0.096 0.000 1.120 273 W HN 0.188 nan 8.180 nan 0.000 0.551 274 V N 1.214 120.553 119.914 -0.958 0.000 2.358 274 V HA -0.282 3.830 4.120 -0.014 0.000 0.246 274 V C 2.212 177.967 176.094 -0.564 0.000 1.047 274 V CA 1.859 63.628 62.300 -0.885 0.000 1.035 274 V CB -1.156 30.121 31.823 -0.910 0.000 0.658 274 V HN 0.118 nan 8.190 nan 0.000 0.452 275 F N 1.008 120.783 119.950 -0.291 0.000 2.134 275 F HA -0.085 4.406 4.527 -0.061 0.000 0.299 275 F C 2.492 178.217 175.800 -0.125 0.000 1.097 275 F CA 1.455 59.366 58.000 -0.147 0.000 1.264 275 F CB -1.019 37.972 39.000 -0.014 0.000 1.001 275 F HN 0.080 nan 8.300 nan 0.000 0.479 276 A N 0.251 123.118 122.820 0.078 0.000 1.902 276 A HA -0.047 4.264 4.320 -0.014 0.000 0.217 276 A C 2.557 180.090 177.584 -0.085 0.000 1.181 276 A CA 1.775 53.822 52.037 0.018 0.000 0.623 276 A CB -1.594 17.421 19.000 0.024 0.000 0.818 276 A HN 0.402 nan 8.150 nan 0.000 0.443 277 G N -1.139 107.461 108.800 -0.333 0.000 2.418 277 G HA2 -0.130 3.822 3.960 -0.014 0.000 0.217 277 G HA3 -0.130 3.822 3.960 -0.014 0.000 0.217 277 G C 1.561 176.524 174.900 0.104 0.000 1.158 277 G CA 1.637 46.505 45.100 -0.387 0.000 0.771 277 G HN 0.438 nan 8.290 nan 0.000 0.545 278 T N 1.102 115.681 114.554 0.040 0.000 2.821 278 T HA -0.086 4.256 4.350 -0.014 0.000 0.267 278 T C 2.218 176.944 174.700 0.044 0.000 1.046 278 T CA 1.065 63.220 62.100 0.091 0.000 1.139 278 T CB -0.189 68.654 68.868 -0.043 0.000 0.871 278 T HN 0.131 nan 8.240 nan 0.000 0.454 279 L N 2.086 123.323 121.223 0.023 0.000 2.046 279 L HA 0.016 4.347 4.340 -0.014 0.000 0.208 279 L C 2.043 178.916 176.870 0.005 0.000 1.077 279 L CA 1.655 56.509 54.840 0.022 0.000 0.747 279 L CB -0.968 41.120 42.059 0.048 0.000 0.896 279 L HN 0.218 nan 8.230 nan 0.000 0.432 280 N N -1.397 117.285 118.700 -0.030 0.000 2.166 280 N HA -0.193 4.539 4.740 -0.014 0.000 0.186 280 N C 1.516 176.912 175.510 -0.188 0.000 1.019 280 N CA 1.828 54.778 53.050 -0.167 0.000 0.856 280 N CB 0.121 38.381 38.487 -0.379 0.000 0.993 280 N HN 0.451 nan 8.380 nan 0.000 0.426 281 T N 0.716 115.246 114.554 -0.039 0.000 2.746 281 T HA -0.060 4.282 4.350 -0.014 0.000 0.267 281 T C 1.936 176.649 174.700 0.023 0.000 1.039 281 T CA 1.280 63.397 62.100 0.029 0.000 1.142 281 T CB -0.310 68.660 68.868 0.171 0.000 0.866 281 T HN 0.384 nan 8.240 nan 0.000 0.444 282 A N 1.291 124.131 122.820 0.032 0.000 1.877 282 A HA -0.011 4.300 4.320 -0.014 0.000 0.216 282 A C 2.315 179.943 177.584 0.073 0.000 1.186 282 A CA 1.278 53.343 52.037 0.047 0.000 0.620 282 A CB -0.908 18.107 19.000 0.025 0.000 0.822 282 A HN 0.467 nan 8.150 nan 0.000 0.443 283 L N -1.169 120.089 121.223 0.057 0.000 1.989 283 L HA -0.226 4.106 4.340 -0.014 0.000 0.211 283 L C 2.934 179.873 176.870 0.116 0.000 1.071 283 L CA 1.775 56.670 54.840 0.092 0.000 0.749 283 L CB -0.574 41.532 42.059 0.079 0.000 0.890 283 L HN 0.360 nan 8.230 nan 0.000 0.431 284 R N -0.018 120.513 120.500 0.051 0.000 2.073 284 R HA -0.155 4.177 4.340 -0.014 0.000 0.234 284 R C 2.665 179.060 176.300 0.159 0.000 1.134 284 R CA 1.742 57.885 56.100 0.071 0.000 0.952 284 R CB -0.509 29.758 30.300 -0.055 0.000 0.850 284 R HN 0.504 nan 8.270 nan 0.000 0.433 285 S N 0.815 116.599 115.700 0.140 0.000 2.383 285 S HA -0.130 4.332 4.470 -0.014 0.000 0.229 285 S C 1.838 176.636 174.600 0.331 0.000 1.030 285 S CA 1.037 59.407 58.200 0.285 0.000 1.002 285 S CB -0.207 63.120 63.200 0.211 0.000 0.829 285 S HN 0.112 nan 8.310 nan 0.000 0.467 286 L N 1.578 122.956 121.223 0.259 0.000 2.478 286 L HA 0.345 4.677 4.340 -0.014 0.000 0.223 286 L C 1.976 179.102 176.870 0.428 0.000 1.140 286 L CA 1.059 56.074 54.840 0.291 0.000 0.842 286 L CB -0.852 41.385 42.059 0.298 0.000 0.953 286 L HN 0.718 nan 8.230 nan 0.000 0.452 287 G N -0.825 108.224 108.800 0.415 0.000 2.163 287 G HA2 -0.217 3.734 3.960 -0.014 0.000 0.213 287 G HA3 -0.217 3.734 3.960 -0.014 0.000 0.213 287 G C 0.364 175.486 174.900 0.369 0.000 0.991 287 G CA -0.161 45.217 45.100 0.463 0.000 0.653 287 G HN 0.227 nan 8.290 nan 0.000 0.518 288 I N 2.151 122.877 120.570 0.259 0.000 2.297 288 I HA 0.260 4.422 4.170 -0.014 0.000 0.291 288 I C -2.087 174.137 176.117 0.178 0.000 1.033 288 I CA -2.254 59.133 61.300 0.146 0.000 1.253 288 I CB 1.456 39.496 38.000 0.067 0.000 1.396 288 I HN -0.160 nan 8.210 nan 0.000 0.476 289 P HA -0.005 nan 4.420 nan 0.000 0.261 289 P C -0.694 176.750 177.300 0.240 0.000 1.183 289 P CA 0.337 63.531 63.100 0.156 0.000 0.761 289 P CB 0.492 32.200 31.700 0.012 0.000 0.785 290 S N 2.997 118.828 115.700 0.219 0.000 2.607 290 S HA 0.885 5.347 4.470 -0.014 0.000 0.273 290 S C -0.938 173.680 174.600 0.029 0.000 1.148 290 S CA -1.045 57.260 58.200 0.175 0.000 0.833 290 S CB 2.552 65.814 63.200 0.104 0.000 1.130 290 S HN 0.562 nan 8.310 nan 0.000 0.470 291 R N -0.468 119.970 120.500 -0.104 0.000 2.734 291 R HA 0.761 5.092 4.340 -0.014 0.000 0.271 291 R C -1.980 174.249 176.300 -0.117 0.000 1.021 291 R CA -1.134 54.885 56.100 -0.136 0.000 0.893 291 R CB 1.058 31.171 30.300 -0.312 0.000 1.244 291 R HN 0.438 nan 8.270 nan 0.000 0.464 292 V N 2.642 122.528 119.914 -0.047 0.000 2.407 292 V HA 0.379 4.491 4.120 -0.014 0.000 0.278 292 V C 0.014 176.033 176.094 -0.125 0.000 1.037 292 V CA -0.675 61.596 62.300 -0.049 0.000 0.900 292 V CB 1.271 33.116 31.823 0.036 0.000 0.983 292 V HN 0.509 nan 8.190 nan 0.000 0.459 293 I N 3.787 124.195 120.570 -0.271 0.000 2.441 293 I HA 0.468 4.630 4.170 -0.014 0.000 0.295 293 I C 0.222 175.935 176.117 -0.673 0.000 0.994 293 I CA -0.120 60.890 61.300 -0.483 0.000 1.144 293 I CB 1.929 39.516 38.000 -0.688 0.000 1.314 293 I HN 0.519 nan 8.210 nan 0.000 0.445 294 T N 5.042 119.273 114.554 -0.538 0.000 2.809 294 T HA 0.287 4.628 4.350 -0.014 0.000 0.284 294 T C -0.194 174.130 174.700 -0.625 0.000 0.992 294 T CA -0.586 61.183 62.100 -0.551 0.000 0.957 294 T CB 1.090 69.727 68.868 -0.385 0.000 0.942 294 T HN 0.490 nan 8.240 nan 0.000 0.439 295 N N 2.495 120.780 118.700 -0.691 0.000 2.417 295 N HA 0.462 5.193 4.740 -0.014 0.000 0.274 295 N C -1.320 174.070 175.510 -0.200 0.000 0.987 295 N CA -0.679 52.113 53.050 -0.430 0.000 0.912 295 N CB 0.347 38.553 38.487 -0.469 0.000 1.177 295 N HN 0.314 nan 8.380 nan 0.000 0.490 296 F N 2.188 122.197 119.950 0.098 0.000 2.385 296 F HA 0.329 4.863 4.527 0.011 0.000 0.336 296 F C 0.881 176.789 175.800 0.180 0.000 1.100 296 F CA -0.485 57.650 58.000 0.225 0.000 1.116 296 F CB 0.709 39.853 39.000 0.240 0.000 1.166 296 F HN 0.464 nan 8.300 nan 0.000 0.511 297 N N 0.816 119.750 118.700 0.390 0.000 2.708 297 N HA -0.224 4.508 4.740 -0.014 0.000 0.255 297 N C -0.595 175.024 175.510 0.182 0.000 1.046 297 N CA 0.411 53.621 53.050 0.266 0.000 0.715 297 N CB -1.176 37.439 38.487 0.214 0.000 0.895 297 N HN 0.433 nan 8.380 nan 0.000 0.545 298 S N -0.531 115.280 115.700 0.185 0.000 2.439 298 S HA 0.697 5.158 4.470 -0.014 0.000 0.282 298 S C 0.477 175.058 174.600 -0.031 0.000 1.170 298 S CA -0.084 58.167 58.200 0.085 0.000 1.054 298 S CB 0.514 63.799 63.200 0.142 0.000 0.956 298 S HN 0.479 nan 8.310 nan 0.000 0.490 299 A N 3.792 126.580 122.820 -0.054 0.000 2.279 299 A HA 0.447 4.759 4.320 -0.014 0.000 0.303 299 A C -0.281 177.241 177.584 -0.103 0.000 1.108 299 A CA -0.505 51.503 52.037 -0.048 0.000 0.830 299 A CB 0.346 19.350 19.000 0.006 0.000 1.106 299 A HN 1.004 nan 8.150 nan 0.000 0.493 300 H N 1.110 120.099 119.070 -0.135 0.000 2.645 300 H HA 0.241 4.794 4.556 -0.006 0.000 0.257 300 H C -1.192 174.149 175.328 0.021 0.000 1.269 300 H CA -0.670 55.338 56.048 -0.067 0.000 1.409 300 H CB 0.355 30.061 29.762 -0.092 0.000 1.434 300 H HN 0.703 nan 8.280 nan 0.000 0.505 301 D N 3.528 124.053 120.400 0.207 0.000 2.359 301 D HA -0.046 4.586 4.640 -0.014 0.000 0.250 301 D C 1.424 177.790 176.300 0.111 0.000 1.264 301 D CA 0.032 54.097 54.000 0.109 0.000 0.911 301 D CB 1.203 42.066 40.800 0.106 0.000 1.056 301 D HN 0.688 nan 8.370 nan 0.000 0.499 302 T N 0.242 114.751 114.554 -0.075 0.000 2.985 302 T HA -0.125 4.217 4.350 -0.014 0.000 0.266 302 T C 0.701 175.378 174.700 -0.039 0.000 1.076 302 T CA 0.668 62.697 62.100 -0.117 0.000 1.135 302 T CB -0.118 68.596 68.868 -0.258 0.000 0.890 302 T HN 0.416 nan 8.240 nan 0.000 0.480 303 D N 0.412 120.798 120.400 -0.023 0.000 2.643 303 D HA 0.227 4.859 4.640 -0.014 0.000 0.244 303 D C 0.065 176.367 176.300 0.004 0.000 1.257 303 D CA -0.798 53.193 54.000 -0.015 0.000 0.831 303 D CB -0.550 40.235 40.800 -0.025 0.000 1.043 303 D HN 0.224 nan 8.370 nan 0.000 0.488 304 R N 0.858 121.373 120.500 0.026 0.000 3.184 304 R HA -0.244 4.088 4.340 -0.014 0.000 0.242 304 R C -0.304 176.003 176.300 0.011 0.000 0.907 304 R CA 1.041 57.157 56.100 0.026 0.000 0.618 304 R CB -2.256 28.047 30.300 0.006 0.000 1.016 304 R HN 0.749 nan 8.270 nan 0.000 0.469 305 N N -0.114 118.603 118.700 0.029 0.000 2.197 305 N HA 0.155 4.887 4.740 -0.014 0.000 0.228 305 N C 0.151 175.697 175.510 0.060 0.000 1.212 305 N CA -0.565 52.504 53.050 0.031 0.000 0.883 305 N CB 0.537 39.050 38.487 0.043 0.000 1.107 305 N HN 0.214 nan 8.380 nan 0.000 0.519 306 L N 0.711 121.975 121.223 0.069 0.000 3.737 306 L HA -0.248 4.084 4.340 -0.014 0.000 0.418 306 L C -0.498 176.494 176.870 0.203 0.000 1.216 306 L CA 0.413 55.330 54.840 0.129 0.000 0.915 306 L CB -2.223 39.849 42.059 0.022 0.000 1.834 306 L HN 0.470 nan 8.230 nan 0.000 0.943 307 S N -0.540 115.242 115.700 0.138 0.000 2.535 307 S HA 0.774 5.236 4.470 -0.014 0.000 0.272 307 S C -0.538 174.119 174.600 0.096 0.000 1.149 307 S CA -0.045 58.232 58.200 0.128 0.000 0.888 307 S CB 2.171 65.453 63.200 0.137 0.000 1.110 307 S HN 0.445 nan 8.310 nan 0.000 0.463 308 V N 1.113 121.080 119.914 0.089 0.000 2.823 308 V HA 0.770 4.882 4.120 -0.014 0.000 0.312 308 V C -1.256 174.898 176.094 0.100 0.000 1.072 308 V CA -0.862 61.484 62.300 0.077 0.000 0.937 308 V CB 2.018 33.878 31.823 0.062 0.000 1.013 308 V HN 0.815 nan 8.190 nan 0.000 0.430 309 D N 2.099 122.559 120.400 0.100 0.000 2.185 309 D HA 0.686 5.318 4.640 -0.014 0.000 0.247 309 D C -0.829 175.501 176.300 0.050 0.000 1.027 309 D CA -0.232 53.836 54.000 0.113 0.000 0.861 309 D CB 2.582 43.387 40.800 0.009 0.000 1.202 309 D HN 0.513 nan 8.370 nan 0.000 0.453 310 V N 2.048 121.958 119.914 -0.007 0.000 2.588 310 V HA 0.335 4.447 4.120 -0.014 0.000 0.304 310 V C -1.110 174.888 176.094 -0.160 0.000 1.042 310 V CA -0.783 61.496 62.300 -0.035 0.000 0.877 310 V CB 1.212 33.040 31.823 0.008 0.000 0.996 310 V HN 0.407 nan 8.190 nan 0.000 0.425 311 Y N 3.424 123.602 120.300 -0.204 0.000 2.468 311 Y HA 0.778 5.319 4.550 -0.015 0.000 0.342 311 Y C -0.554 175.071 175.900 -0.458 0.000 1.021 311 Y CA -0.849 57.143 58.100 -0.179 0.000 1.079 311 Y CB 1.885 40.249 38.460 -0.160 0.000 1.226 311 Y HN 0.544 nan 8.280 nan 0.000 0.460 312 Y N 0.205 120.575 120.300 0.117 0.000 2.581 312 Y HA 0.362 4.904 4.550 -0.014 0.000 0.345 312 Y C -0.706 175.206 175.900 0.020 0.000 1.036 312 Y CA -1.501 56.617 58.100 0.030 0.000 1.042 312 Y CB 1.721 40.177 38.460 -0.007 0.000 1.289 312 Y HN 0.619 nan 8.280 nan 0.000 0.471 313 D N 0.200 120.702 120.400 0.170 0.000 2.385 313 D HA 0.384 5.016 4.640 -0.014 0.000 0.254 313 D C -2.452 173.896 176.300 0.080 0.000 1.053 313 D CA -2.450 51.599 54.000 0.082 0.000 0.992 313 D CB 1.148 41.986 40.800 0.064 0.000 1.145 313 D HN 0.103 nan 8.370 nan 0.000 0.523 314 P HA -0.091 nan 4.420 nan 0.000 0.223 314 P C 1.077 178.422 177.300 0.075 0.000 1.144 314 P CA 1.211 64.368 63.100 0.095 0.000 0.783 314 P CB -0.021 31.763 31.700 0.140 0.000 0.771 315 M N -2.845 116.798 119.600 0.072 0.000 2.659 315 M HA 0.281 4.753 4.480 -0.014 0.000 0.243 315 M C 1.360 177.707 176.300 0.077 0.000 1.111 315 M CA 1.090 56.427 55.300 0.061 0.000 1.070 315 M CB -1.455 31.183 32.600 0.063 0.000 1.525 315 M HN 0.121 nan 8.290 nan 0.000 0.517 316 G N 1.422 110.280 108.800 0.097 0.000 2.141 316 G HA2 -0.214 3.738 3.960 -0.014 0.000 0.242 316 G HA3 -0.214 3.738 3.960 -0.014 0.000 0.242 316 G C -0.110 174.917 174.900 0.212 0.000 0.982 316 G CA -0.216 44.951 45.100 0.111 0.000 0.662 316 G HN 0.485 nan 8.290 nan 0.000 0.527 317 N N 1.478 120.306 118.700 0.214 0.000 2.499 317 N HA 0.428 5.160 4.740 -0.014 0.000 0.281 317 N C -2.735 172.826 175.510 0.085 0.000 1.098 317 N CA -1.001 52.161 53.050 0.187 0.000 0.979 317 N CB 1.483 40.071 38.487 0.168 0.000 1.121 317 N HN 0.095 nan 8.380 nan 0.000 0.466 318 P HA 0.218 nan 4.420 nan 0.000 0.279 318 P C -0.525 176.479 177.300 -0.493 0.000 1.239 318 P CA -0.413 62.436 63.100 -0.417 0.000 0.789 318 P CB 0.795 32.243 31.700 -0.419 0.000 0.933 319 L N 2.911 123.887 121.223 -0.411 0.000 2.322 319 L HA 0.252 4.583 4.340 -0.014 0.000 0.279 319 L C 1.164 177.852 176.870 -0.305 0.000 1.036 319 L CA 0.283 54.943 54.840 -0.300 0.000 0.807 319 L CB 0.384 42.339 42.059 -0.173 0.000 1.226 319 L HN 0.323 nan 8.230 nan 0.000 0.433 320 D N 0.493 120.729 120.400 -0.274 0.000 2.190 320 D HA -0.178 4.454 4.640 -0.014 0.000 0.200 320 D C 0.623 176.805 176.300 -0.197 0.000 0.992 320 D CA 1.275 55.141 54.000 -0.222 0.000 0.854 320 D CB -0.009 40.688 40.800 -0.172 0.000 0.936 320 D HN 0.346 nan 8.370 nan 0.000 0.462 321 K N 0.239 120.496 120.400 -0.237 0.000 2.160 321 K HA 0.108 4.420 4.320 -0.014 0.000 0.263 321 K C 0.664 177.198 176.600 -0.111 0.000 1.120 321 K CA 0.558 56.681 56.287 -0.273 0.000 1.115 321 K CB -0.510 31.657 32.500 -0.555 0.000 0.971 321 K HN 0.274 nan 8.250 nan 0.000 0.400 322 G N 2.018 110.773 108.800 -0.075 0.000 2.141 322 G HA2 -0.320 3.632 3.960 -0.014 0.000 0.242 322 G HA3 -0.320 3.632 3.960 -0.014 0.000 0.242 322 G C 0.705 175.579 174.900 -0.044 0.000 0.982 322 G CA 0.546 45.642 45.100 -0.007 0.000 0.662 322 G HN 0.692 nan 8.290 nan 0.000 0.527 323 S N 0.258 115.893 115.700 -0.107 0.000 2.447 323 S HA 0.026 4.487 4.470 -0.014 0.000 0.233 323 S C 1.384 175.943 174.600 -0.069 0.000 1.006 323 S CA 1.611 59.732 58.200 -0.132 0.000 0.957 323 S CB -0.045 63.039 63.200 -0.193 0.000 0.773 323 S HN 0.819 nan 8.310 nan 0.000 0.507 324 D N 0.072 120.449 120.400 -0.039 0.000 2.538 324 D HA 0.306 4.938 4.640 -0.014 0.000 0.231 324 D C 0.816 177.242 176.300 0.209 0.000 1.229 324 D CA -0.213 53.790 54.000 0.005 0.000 0.828 324 D CB -0.227 40.511 40.800 -0.103 0.000 1.035 324 D HN 0.255 nan 8.370 nan 0.000 0.495 325 S N -0.580 115.202 115.700 0.137 0.000 2.461 325 S HA 0.066 4.528 4.470 -0.014 0.000 0.228 325 S C 0.780 175.486 174.600 0.177 0.000 1.005 325 S CA 0.223 58.506 58.200 0.138 0.000 0.942 325 S CB 0.406 63.647 63.200 0.068 0.000 0.776 325 S HN 0.237 nan 8.310 nan 0.000 0.514 326 V N 2.589 122.633 119.914 0.217 0.000 2.385 326 V HA 0.280 4.391 4.120 -0.014 0.000 0.277 326 V C -1.101 175.195 176.094 0.336 0.000 1.012 326 V CA -1.038 61.392 62.300 0.217 0.000 0.832 326 V CB 0.342 32.256 31.823 0.151 0.000 1.028 326 V HN 0.383 nan 8.190 nan 0.000 0.436 327 W N 2.714 124.011 121.300 -0.005 0.000 2.193 327 W HA 0.251 4.892 4.660 -0.031 0.000 0.338 327 W C 1.619 178.196 176.519 0.098 0.000 1.310 327 W CA -0.648 56.679 57.345 -0.029 0.000 1.243 327 W CB -0.119 29.284 29.460 -0.095 0.000 1.165 327 W HN 0.489 nan 8.180 nan 0.000 0.566 328 N N 1.082 119.987 118.700 0.342 0.000 2.258 328 N HA -0.159 4.573 4.740 -0.014 0.000 0.187 328 N C -0.094 175.781 175.510 0.608 0.000 1.012 328 N CA 1.437 54.757 53.050 0.450 0.000 0.870 328 N CB -0.065 38.715 38.487 0.488 0.000 0.977 328 N HN 0.397 nan 8.380 nan 0.000 0.434 329 F N -2.567 117.666 119.950 0.471 0.000 2.769 329 F HA 0.466 4.967 4.527 -0.043 0.000 0.313 329 F C -1.257 174.850 175.800 0.512 0.000 1.146 329 F CA -1.326 56.784 58.000 0.183 0.000 0.934 329 F CB 0.967 39.772 39.000 -0.325 0.000 1.283 329 F HN -0.174 nan 8.300 nan 0.000 0.443 330 H N 0.960 120.223 119.070 0.321 0.000 2.954 330 H HA 0.784 5.364 4.556 0.041 0.000 0.361 330 H C -2.134 173.326 175.328 0.220 0.000 1.122 330 H CA -0.932 55.341 56.048 0.374 0.000 1.217 330 H CB 2.148 32.012 29.762 0.169 0.000 1.776 330 H HN 0.735 nan 8.280 nan 0.000 0.533 331 V N 5.597 125.395 119.914 -0.194 0.000 2.513 331 V HA 0.490 4.602 4.120 -0.014 0.000 0.299 331 V C -0.669 175.260 176.094 -0.276 0.000 1.035 331 V CA -0.378 61.764 62.300 -0.264 0.000 0.889 331 V CB 0.680 32.544 31.823 0.068 0.000 0.988 331 V HN 0.866 nan 8.190 nan 0.000 0.440 332 W N 3.432 124.590 121.300 -0.237 0.000 3.179 332 W HA 0.748 5.386 4.660 -0.037 0.000 0.372 332 W C -1.224 175.258 176.519 -0.062 0.000 1.137 332 W CA -1.122 56.142 57.345 -0.136 0.000 1.100 332 W CB 0.748 30.142 29.460 -0.110 0.000 1.503 332 W HN 0.395 nan 8.180 nan 0.000 0.601 333 N N -0.127 118.825 118.700 0.420 0.000 2.380 333 N HA 0.502 5.234 4.740 -0.014 0.000 0.290 333 N C -1.665 174.026 175.510 0.303 0.000 1.236 333 N CA -1.051 52.140 53.050 0.235 0.000 0.780 333 N CB 2.239 40.805 38.487 0.132 0.000 1.438 333 N HN 0.426 nan 8.380 nan 0.000 0.491 334 E N -0.434 119.854 120.200 0.148 0.000 2.234 334 E HA 0.560 4.902 4.350 -0.014 0.000 0.266 334 E C -0.878 175.877 176.600 0.258 0.000 0.877 334 E CA -0.957 55.544 56.400 0.168 0.000 0.758 334 E CB 2.082 31.762 29.700 -0.035 0.000 1.170 334 E HN 0.592 nan 8.360 nan 0.000 0.415 335 G N 1.984 110.941 108.800 0.261 0.000 2.416 335 G HA2 0.317 4.269 3.960 -0.014 0.000 0.329 335 G HA3 0.317 4.269 3.960 -0.014 0.000 0.329 335 G C -1.501 173.385 174.900 -0.023 0.000 1.173 335 G CA -0.521 44.724 45.100 0.242 0.000 0.929 335 G HN 0.432 nan 8.290 nan 0.000 0.475 336 W N 4.470 125.641 121.300 -0.214 0.000 2.294 336 W HA 0.633 5.278 4.660 -0.025 0.000 0.314 336 W C -1.755 174.593 176.519 -0.286 0.000 1.044 336 W CA -1.234 55.776 57.345 -0.558 0.000 1.284 336 W CB 0.790 29.740 29.460 -0.849 0.000 1.231 336 W HN 0.452 nan 8.180 nan 0.000 0.419 337 F N 3.152 122.755 119.950 -0.578 0.000 2.799 337 F HA 0.442 4.957 4.527 -0.020 0.000 0.316 337 F C -0.701 174.846 175.800 -0.422 0.000 1.155 337 F CA -1.679 56.078 58.000 -0.406 0.000 0.916 337 F CB -0.346 38.527 39.000 -0.211 0.000 1.294 337 F HN 0.120 nan 8.300 nan 0.000 0.447 338 V N 0.108 120.016 119.914 -0.009 0.000 3.133 338 V HA 0.653 4.765 4.120 -0.014 0.000 0.305 338 V C -0.103 176.063 176.094 0.121 0.000 1.084 338 V CA -0.681 61.596 62.300 -0.039 0.000 1.089 338 V CB 1.102 32.922 31.823 -0.005 0.000 1.073 338 V HN 0.873 nan 8.190 nan 0.000 0.477 339 R N 2.016 122.559 120.500 0.072 0.000 2.587 339 R HA 0.308 4.640 4.340 -0.014 0.000 0.283 339 R C 1.247 177.601 176.300 0.090 0.000 1.472 339 R CA 0.449 56.623 56.100 0.122 0.000 1.578 339 R CB 0.646 31.014 30.300 0.114 0.000 1.130 339 R HN 1.072 nan 8.270 nan 0.000 0.602 340 S N -0.047 115.701 115.700 0.080 0.000 2.440 340 S HA -0.178 4.284 4.470 -0.014 0.000 0.238 340 S C 1.183 175.814 174.600 0.053 0.000 1.010 340 S CA 1.455 59.690 58.200 0.059 0.000 0.972 340 S CB -0.014 63.219 63.200 0.054 0.000 0.774 340 S HN 0.514 nan 8.310 nan 0.000 0.501 341 D N 1.354 121.788 120.400 0.058 0.000 2.323 341 D HA 0.011 4.643 4.640 -0.014 0.000 0.209 341 D C 1.723 178.020 176.300 -0.004 0.000 0.973 341 D CA 0.392 54.410 54.000 0.029 0.000 0.874 341 D CB -0.281 40.543 40.800 0.040 0.000 0.930 341 D HN 0.505 nan 8.370 nan 0.000 0.521 342 L N -0.796 120.438 121.223 0.018 0.000 2.537 342 L HA 0.414 4.745 4.340 -0.014 0.000 0.224 342 L C 1.199 178.165 176.870 0.159 0.000 1.065 342 L CA 0.347 55.179 54.840 -0.014 0.000 0.860 342 L CB 0.359 42.341 42.059 -0.128 0.000 1.086 342 L HN 0.255 nan 8.230 nan 0.000 0.482 343 G N -0.189 108.712 108.800 0.168 0.000 2.357 343 G HA2 -0.070 3.882 3.960 -0.014 0.000 0.643 343 G HA3 -0.070 3.882 3.960 -0.014 0.000 0.643 343 G C -2.637 172.325 174.900 0.103 0.000 1.358 343 G CA -0.753 44.439 45.100 0.153 0.000 0.986 343 G HN -0.208 nan 8.290 nan 0.000 0.620 344 P HA 0.002 nan 4.420 nan 0.000 0.222 344 P C 1.846 179.083 177.300 -0.105 0.000 1.147 344 P CA 2.037 65.118 63.100 -0.032 0.000 0.790 344 P CB 0.146 31.828 31.700 -0.030 0.000 0.780 345 S N -2.989 112.586 115.700 -0.209 0.000 2.548 345 S HA 0.019 4.481 4.470 -0.014 0.000 0.215 345 S C 1.073 175.361 174.600 -0.521 0.000 0.976 345 S CA -0.032 57.937 58.200 -0.384 0.000 0.908 345 S CB -0.977 61.921 63.200 -0.503 0.000 0.781 345 S HN 0.164 nan 8.310 nan 0.000 0.519 346 Y N 2.074 122.327 120.300 -0.078 0.000 2.555 346 Y HA 0.470 5.010 4.550 -0.016 0.000 0.259 346 Y C 1.715 177.515 175.900 -0.166 0.000 1.179 346 Y CA -0.651 57.389 58.100 -0.099 0.000 1.230 346 Y CB -0.179 38.240 38.460 -0.068 0.000 1.146 346 Y HN 0.378 nan 8.280 nan 0.000 0.526 347 G N -0.002 108.723 108.800 -0.125 0.000 2.631 347 G HA2 0.433 4.385 3.960 -0.014 0.000 0.271 347 G HA3 0.433 4.385 3.960 -0.014 0.000 0.271 347 G C 0.636 175.216 174.900 -0.534 0.000 1.302 347 G CA 0.407 45.329 45.100 -0.298 0.000 1.002 347 G HN 0.576 nan 8.290 nan 0.000 0.519 348 G N -1.515 106.661 108.800 -1.041 0.000 2.475 348 G HA2 -0.167 3.784 3.960 -0.014 0.000 0.223 348 G HA3 -0.167 3.784 3.960 -0.014 0.000 0.223 348 G C -0.174 174.027 174.900 -1.164 0.000 1.201 348 G CA -0.157 43.944 45.100 -1.664 0.000 0.962 348 G HN 0.840 nan 8.290 nan 0.000 0.586 349 W N 1.996 123.057 121.300 -0.398 0.000 2.210 349 W HA 0.553 5.218 4.660 0.008 0.000 0.330 349 W C 0.534 176.862 176.519 -0.318 0.000 1.334 349 W CA -0.181 57.038 57.345 -0.211 0.000 1.227 349 W CB 0.663 30.103 29.460 -0.034 0.000 1.178 349 W HN 0.367 nan 8.180 nan 0.000 0.560 350 Q N 2.764 122.522 119.800 -0.069 0.000 2.310 350 Q HA 0.292 4.624 4.340 -0.014 0.000 0.270 350 Q C -0.688 175.333 176.000 0.034 0.000 1.025 350 Q CA -1.001 54.721 55.803 -0.134 0.000 0.772 350 Q CB 1.838 30.317 28.738 -0.431 0.000 1.253 350 Q HN 0.243 nan 8.270 nan 0.000 0.450 351 V N 4.072 124.015 119.914 0.049 0.000 2.529 351 V HA 0.158 4.270 4.120 -0.014 0.000 0.292 351 V C 0.245 176.358 176.094 0.032 0.000 1.028 351 V CA 0.256 62.585 62.300 0.048 0.000 1.074 351 V CB 0.113 31.877 31.823 -0.099 0.000 0.958 351 V HN 0.544 nan 8.190 nan 0.000 0.481 352 L N 4.869 126.137 121.223 0.075 0.000 2.409 352 L HA 0.578 4.910 4.340 -0.014 0.000 0.272 352 L C -0.844 176.075 176.870 0.083 0.000 0.980 352 L CA -0.374 54.508 54.840 0.070 0.000 0.826 352 L CB 2.162 44.286 42.059 0.109 0.000 1.268 352 L HN 0.535 nan 8.230 nan 0.000 0.407 353 D N 2.059 122.487 120.400 0.047 0.000 2.505 353 D HA 0.440 5.071 4.640 -0.014 0.000 0.250 353 D C 0.266 176.600 176.300 0.057 0.000 1.164 353 D CA -0.294 53.766 54.000 0.100 0.000 0.870 353 D CB 2.440 43.302 40.800 0.104 0.000 1.160 353 D HN 0.581 nan 8.370 nan 0.000 0.549 354 A N 2.819 125.675 122.820 0.061 0.000 2.178 354 A HA 0.107 4.419 4.320 -0.014 0.000 0.211 354 A C 0.986 178.434 177.584 -0.227 0.000 1.157 354 A CA 0.333 52.362 52.037 -0.014 0.000 0.780 354 A CB -0.082 18.960 19.000 0.070 0.000 0.828 354 A HN 0.487 nan 8.150 nan 0.000 0.476 355 T N 3.607 118.037 114.554 -0.206 0.000 2.853 355 T HA 0.286 4.628 4.350 -0.014 0.000 0.298 355 T C -2.470 172.049 174.700 -0.301 0.000 0.978 355 T CA -0.505 61.316 62.100 -0.465 0.000 1.152 355 T CB 0.703 69.646 68.868 0.125 0.000 0.914 355 T HN 0.228 nan 8.240 nan 0.000 0.539 356 P HA 0.165 nan 4.420 nan 0.000 0.263 356 P C -0.074 177.145 177.300 -0.134 0.000 1.601 356 P CA 0.054 63.020 63.100 -0.225 0.000 1.161 356 P CB 0.586 31.947 31.700 -0.566 0.000 1.730 357 Q N 1.020 120.765 119.800 -0.092 0.000 2.622 357 Q HA 0.099 4.430 4.340 -0.014 0.000 0.208 357 Q C 0.128 176.022 176.000 -0.175 0.000 0.911 357 Q CA 0.297 55.951 55.803 -0.249 0.000 0.893 357 Q CB 0.362 28.739 28.738 -0.601 0.000 1.124 357 Q HN 0.322 nan 8.270 nan 0.000 0.634 358 E N 1.142 121.044 120.200 -0.496 0.000 2.151 358 E HA 0.224 4.566 4.350 -0.014 0.000 0.275 358 E C -1.086 175.238 176.600 -0.459 0.000 0.936 358 E CA -0.239 55.846 56.400 -0.524 0.000 0.777 358 E CB 0.972 30.034 29.700 -1.064 0.000 1.108 358 E HN -0.019 nan 8.360 nan 0.000 0.401 359 R N 2.254 122.446 120.500 -0.514 0.000 2.543 359 R HA 0.277 4.609 4.340 -0.014 0.000 0.277 359 R C -0.645 175.433 176.300 -0.370 0.000 1.074 359 R CA -0.034 55.678 56.100 -0.646 0.000 1.076 359 R CB 1.087 30.984 30.300 -0.672 0.000 0.993 359 R HN 0.385 nan 8.270 nan 0.000 0.459 360 S N 2.216 117.739 115.700 -0.296 0.000 2.659 360 S HA 0.109 4.570 4.470 -0.014 0.000 0.312 360 S C -0.564 173.961 174.600 -0.124 0.000 1.114 360 S CA -0.480 57.621 58.200 -0.166 0.000 1.063 360 S CB 0.790 63.921 63.200 -0.116 0.000 0.996 360 S HN 0.710 nan 8.310 nan 0.000 0.478 361 Q N 2.873 122.620 119.800 -0.087 0.000 2.475 361 Q HA -0.224 4.108 4.340 -0.014 0.000 0.280 361 Q C 0.930 176.878 176.000 -0.086 0.000 1.234 361 Q CA 0.858 56.626 55.803 -0.059 0.000 0.873 361 Q CB -1.922 26.808 28.738 -0.014 0.000 1.256 361 Q HN 1.583 nan 8.270 nan 0.000 0.475 362 G N -2.360 106.359 108.800 -0.135 0.000 2.184 362 G HA2 -0.312 3.640 3.960 -0.014 0.000 0.264 362 G HA3 -0.312 3.640 3.960 -0.014 0.000 0.264 362 G C 0.142 174.927 174.900 -0.191 0.000 0.975 362 G CA 0.208 45.217 45.100 -0.151 0.000 0.642 362 G HN 0.445 nan 8.290 nan 0.000 0.536 363 V N 0.144 119.931 119.914 -0.212 0.000 2.823 363 V HA 0.641 4.753 4.120 -0.014 0.000 0.312 363 V C 0.020 175.952 176.094 -0.271 0.000 1.072 363 V CA -1.063 61.127 62.300 -0.182 0.000 0.937 363 V CB 1.798 33.581 31.823 -0.067 0.000 1.013 363 V HN 0.171 nan 8.190 nan 0.000 0.430 364 F N 4.229 124.135 119.950 -0.073 0.000 2.613 364 F HA 0.348 4.865 4.527 -0.017 0.000 0.341 364 F C 0.863 176.596 175.800 -0.112 0.000 1.288 364 F CA 0.172 58.108 58.000 -0.106 0.000 1.103 364 F CB -0.092 38.853 39.000 -0.091 0.000 1.423 364 F HN 0.562 nan 8.300 nan 0.000 0.651 365 Q N 1.572 121.348 119.800 -0.040 0.000 2.416 365 Q HA 0.728 5.060 4.340 -0.014 0.000 0.281 365 Q C -1.624 174.321 176.000 -0.092 0.000 1.067 365 Q CA -1.109 54.654 55.803 -0.066 0.000 0.809 365 Q CB 2.471 31.147 28.738 -0.103 0.000 1.418 365 Q HN 0.362 nan 8.270 nan 0.000 0.411 366 C N 1.034 120.288 119.300 -0.076 0.000 2.705 366 C HA 0.855 5.306 4.460 -0.014 0.000 0.369 366 C C 0.158 175.129 174.990 -0.031 0.000 1.069 366 C CA 1.123 60.111 59.018 -0.049 0.000 1.260 366 C CB 0.498 28.222 27.740 -0.027 0.000 1.764 366 C HN 1.349 nan 8.230 nan 0.000 0.469 367 G N 6.587 115.384 108.800 -0.005 0.000 2.592 367 G HA2 0.049 4.001 3.960 -0.014 0.000 0.684 367 G HA3 0.049 4.001 3.960 -0.014 0.000 0.684 367 G C -3.339 171.511 174.900 -0.083 0.000 1.291 367 G CA -0.498 44.618 45.100 0.026 0.000 0.891 367 G HN 0.674 nan 8.290 nan 0.000 0.544 368 P HA 0.528 nan 4.420 nan 0.000 0.281 368 P C -0.359 177.073 177.300 0.220 0.000 1.252 368 P CA 0.457 63.667 63.100 0.184 0.000 0.778 368 P CB 1.464 33.373 31.700 0.348 0.000 0.895 369 A N 2.879 125.765 122.820 0.110 0.000 2.303 369 A HA 0.417 4.729 4.320 -0.014 0.000 0.320 369 A C 0.406 177.999 177.584 0.014 0.000 1.192 369 A CA -0.680 51.395 52.037 0.065 0.000 0.821 369 A CB 0.582 19.601 19.000 0.031 0.000 1.188 369 A HN 0.472 nan 8.150 nan 0.000 0.492 370 S N 2.271 117.972 115.700 0.001 0.000 2.515 370 S HA 0.134 4.596 4.470 -0.014 0.000 0.285 370 S C 1.375 175.964 174.600 -0.019 0.000 1.265 370 S CA -0.316 57.881 58.200 -0.005 0.000 1.079 370 S CB 0.052 63.293 63.200 0.069 0.000 0.877 370 S HN 0.685 nan 8.310 nan 0.000 0.493 371 V N 7.351 127.220 119.914 -0.076 0.000 2.407 371 V HA -0.179 3.933 4.120 -0.014 0.000 0.248 371 V C 2.136 178.152 176.094 -0.130 0.000 1.055 371 V CA 1.920 64.090 62.300 -0.217 0.000 1.049 371 V CB -0.654 30.972 31.823 -0.329 0.000 0.662 371 V HN 0.899 nan 8.190 nan 0.000 0.455 372 I N 0.747 121.295 120.570 -0.036 0.000 2.286 372 I HA -0.177 3.985 4.170 -0.014 0.000 0.248 372 I C 2.544 178.732 176.117 0.118 0.000 1.115 372 I CA 1.693 62.999 61.300 0.010 0.000 1.392 372 I CB -0.796 37.194 38.000 -0.015 0.000 1.065 372 I HN 0.417 nan 8.210 nan 0.000 0.418 373 G N 0.228 109.159 108.800 0.218 0.000 2.408 373 G HA2 -0.159 3.793 3.960 -0.014 0.000 0.217 373 G HA3 -0.159 3.793 3.960 -0.014 0.000 0.217 373 G C 1.695 176.687 174.900 0.154 0.000 1.150 373 G CA 0.701 45.954 45.100 0.256 0.000 0.776 373 G HN 0.241 nan 8.290 nan 0.000 0.542 374 V N 0.632 120.618 119.914 0.121 0.000 2.343 374 V HA -0.144 3.968 4.120 -0.014 0.000 0.247 374 V C 2.757 179.038 176.094 0.313 0.000 1.051 374 V CA 1.984 64.418 62.300 0.222 0.000 1.036 374 V CB -0.463 31.443 31.823 0.138 0.000 0.654 374 V HN 0.378 nan 8.190 nan 0.000 0.451 375 R N 0.007 120.609 120.500 0.169 0.000 2.120 375 R HA -0.159 4.173 4.340 -0.014 0.000 0.234 375 R C 1.849 178.342 176.300 0.321 0.000 1.123 375 R CA 1.363 57.569 56.100 0.175 0.000 0.975 375 R CB 0.025 30.324 30.300 -0.003 0.000 0.866 375 R HN 0.473 nan 8.270 nan 0.000 0.446 376 E N -0.966 119.400 120.200 0.276 0.000 2.474 376 E HA 0.081 4.422 4.350 -0.014 0.000 0.195 376 E C 0.726 177.436 176.600 0.183 0.000 1.039 376 E CA 0.670 57.229 56.400 0.265 0.000 0.881 376 E CB 0.799 30.622 29.700 0.206 0.000 0.970 376 E HN 0.538 nan 8.360 nan 0.000 0.486 377 G N 2.565 111.473 108.800 0.179 0.000 2.221 377 G HA2 -0.221 3.730 3.960 -0.014 0.000 0.265 377 G HA3 -0.221 3.730 3.960 -0.014 0.000 0.265 377 G C -0.330 174.456 174.900 -0.190 0.000 1.041 377 G CA 0.196 45.211 45.100 -0.142 0.000 0.807 377 G HN 0.131 nan 8.290 nan 0.000 0.502 378 D N 0.776 121.133 120.400 -0.071 0.000 2.845 378 D HA 0.226 4.858 4.640 -0.014 0.000 0.235 378 D C 2.026 178.230 176.300 -0.160 0.000 1.158 378 D CA 0.406 54.349 54.000 -0.095 0.000 0.990 378 D CB 0.425 41.207 40.800 -0.030 0.000 1.094 378 D HN 0.543 nan 8.370 nan 0.000 0.486 379 V N -0.742 119.038 119.914 -0.222 0.000 3.383 379 V HA -0.211 3.900 4.120 -0.014 0.000 0.272 379 V C 1.402 177.396 176.094 -0.167 0.000 1.181 379 V CA 0.958 63.135 62.300 -0.206 0.000 1.171 379 V CB -0.652 30.999 31.823 -0.287 0.000 0.800 379 V HN 0.078 nan 8.190 nan 0.000 0.515 380 Q N 0.730 120.430 119.800 -0.167 0.000 2.398 380 Q HA 0.347 4.678 4.340 -0.014 0.000 0.204 380 Q C 0.680 176.569 176.000 -0.185 0.000 0.932 380 Q CA 0.437 56.147 55.803 -0.155 0.000 0.916 380 Q CB -0.489 28.168 28.738 -0.136 0.000 1.024 380 Q HN 0.633 nan 8.270 nan 0.000 0.504 381 L N 1.750 122.842 121.223 -0.218 0.000 2.417 381 L HA 0.158 4.490 4.340 -0.014 0.000 0.268 381 L C 0.248 176.947 176.870 -0.286 0.000 1.158 381 L CA -0.647 54.027 54.840 -0.278 0.000 0.819 381 L CB 0.299 42.138 42.059 -0.366 0.000 1.112 381 L HN 0.154 nan 8.230 nan 0.000 0.458 382 N N 1.475 119.923 118.700 -0.421 0.000 2.525 382 N HA 0.373 5.104 4.740 -0.014 0.000 0.271 382 N C -0.848 174.499 175.510 -0.272 0.000 1.194 382 N CA 0.176 52.812 53.050 -0.690 0.000 0.964 382 N CB 0.895 38.378 38.487 -1.674 0.000 1.126 382 N HN 0.218 nan 8.380 nan 0.000 0.452 383 F N -0.474 119.455 119.950 -0.035 0.000 2.593 383 F HA 0.248 4.768 4.527 -0.011 0.000 0.320 383 F C 0.660 176.446 175.800 -0.024 0.000 1.060 383 F CA -0.845 57.137 58.000 -0.030 0.000 0.940 383 F CB 0.987 39.976 39.000 -0.018 0.000 1.268 383 F HN 0.344 nan 8.300 nan 0.000 0.475 384 D N 1.437 121.936 120.400 0.165 0.000 2.733 384 D HA -0.205 4.427 4.640 -0.014 0.000 0.232 384 D C 1.395 177.757 176.300 0.103 0.000 1.161 384 D CA 0.499 54.569 54.000 0.117 0.000 0.653 384 D CB -0.470 40.407 40.800 0.127 0.000 1.052 384 D HN 0.398 nan 8.370 nan 0.000 0.424 385 M N -1.392 118.235 119.600 0.044 0.000 2.086 385 M HA -0.100 4.372 4.480 -0.014 0.000 0.261 385 M C -0.525 175.812 176.300 0.061 0.000 1.067 385 M CA 1.722 57.040 55.300 0.029 0.000 1.116 385 M CB -1.918 30.657 32.600 -0.042 0.000 1.348 385 M HN 0.084 nan 8.290 nan 0.000 0.407 386 P HA -0.190 nan 4.420 nan 0.000 0.215 386 P C 1.657 179.041 177.300 0.139 0.000 1.157 386 P CA 1.235 64.370 63.100 0.058 0.000 0.874 386 P CB -0.352 31.362 31.700 0.024 0.000 0.790 387 F N 0.175 120.124 119.950 -0.002 0.000 2.102 387 F HA -0.155 4.357 4.527 -0.025 0.000 0.298 387 F C 2.000 177.772 175.800 -0.047 0.000 1.105 387 F CA 1.484 59.470 58.000 -0.024 0.000 1.239 387 F CB -0.924 38.035 39.000 -0.069 0.000 0.991 387 F HN -0.233 nan 8.300 nan 0.000 0.474 388 I N -0.825 119.605 120.570 -0.234 0.000 2.315 388 I HA -0.267 3.895 4.170 -0.014 0.000 0.248 388 I C 2.330 178.327 176.117 -0.200 0.000 1.117 388 I CA 1.252 62.313 61.300 -0.399 0.000 1.404 388 I CB -0.646 37.217 38.000 -0.228 0.000 1.071 388 I HN 0.198 nan 8.210 nan 0.000 0.419 389 F N 1.873 121.733 119.950 -0.149 0.000 2.134 389 F HA -0.201 4.318 4.527 -0.013 0.000 0.299 389 F C 2.501 178.264 175.800 -0.062 0.000 1.097 389 F CA 1.459 59.424 58.000 -0.059 0.000 1.264 389 F CB -0.214 38.758 39.000 -0.048 0.000 1.001 389 F HN -0.010 nan 8.300 nan 0.000 0.479 390 A N 0.073 122.913 122.820 0.032 0.000 1.933 390 A HA -0.193 4.118 4.320 -0.014 0.000 0.218 390 A C 2.070 179.564 177.584 -0.150 0.000 1.175 390 A CA 1.735 53.757 52.037 -0.024 0.000 0.628 390 A CB -0.876 18.137 19.000 0.022 0.000 0.814 390 A HN 0.550 nan 8.150 nan 0.000 0.444 391 E N -0.432 119.584 120.200 -0.307 0.000 2.171 391 E HA -0.171 4.171 4.350 -0.014 0.000 0.197 391 E C 1.748 178.285 176.600 -0.106 0.000 0.997 391 E CA 1.802 58.032 56.400 -0.283 0.000 0.810 391 E CB -0.254 29.179 29.700 -0.446 0.000 0.738 391 E HN 0.708 nan 8.360 nan 0.000 0.467 392 V N -3.167 116.673 119.914 -0.123 0.000 3.605 392 V HA 0.222 4.334 4.120 -0.014 0.000 0.284 392 V C 0.767 176.788 176.094 -0.122 0.000 1.386 392 V CA 0.503 62.757 62.300 -0.078 0.000 1.053 392 V CB 0.204 32.006 31.823 -0.034 0.000 0.857 392 V HN 0.029 nan 8.190 nan 0.000 0.436 393 N N 0.800 119.383 118.700 -0.195 0.000 2.239 393 N HA 0.548 5.280 4.740 -0.014 0.000 0.208 393 N C 0.919 176.496 175.510 0.111 0.000 1.200 393 N CA 0.510 53.494 53.050 -0.110 0.000 0.895 393 N CB 0.723 38.966 38.487 -0.407 0.000 1.085 393 N HN 0.539 nan 8.380 nan 0.000 0.500 394 A N 0.816 123.688 122.820 0.087 0.000 2.583 394 A HA -0.011 4.301 4.320 -0.014 0.000 0.231 394 A C -0.199 177.439 177.584 0.089 0.000 1.065 394 A CA 0.531 52.658 52.037 0.150 0.000 0.760 394 A CB 0.093 19.142 19.000 0.081 0.000 1.001 394 A HN 0.134 nan 8.150 nan 0.000 0.509 395 D N 0.152 120.613 120.400 0.101 0.000 2.225 395 D HA 0.362 4.994 4.640 -0.014 0.000 0.249 395 D C 0.132 176.442 176.300 0.016 0.000 1.052 395 D CA -0.036 53.960 54.000 -0.007 0.000 0.909 395 D CB 1.028 41.821 40.800 -0.012 0.000 1.186 395 D HN 0.522 nan 8.370 nan 0.000 0.431 396 R N 2.449 122.939 120.500 -0.015 0.000 2.288 396 R HA 0.419 4.751 4.340 -0.014 0.000 0.326 396 R C -0.776 175.512 176.300 -0.021 0.000 0.959 396 R CA -0.508 55.596 56.100 0.008 0.000 0.834 396 R CB 0.320 30.630 30.300 0.017 0.000 1.157 396 R HN 0.400 nan 8.270 nan 0.000 0.470 397 I N 3.694 124.262 120.570 -0.003 0.000 2.336 397 I HA 0.211 4.373 4.170 -0.014 0.000 0.292 397 I C -0.012 176.025 176.117 -0.134 0.000 0.991 397 I CA -0.598 60.645 61.300 -0.097 0.000 1.227 397 I CB 2.122 40.109 38.000 -0.021 0.000 1.366 397 I HN 0.496 nan 8.210 nan 0.000 0.466 398 T N 5.093 119.496 114.554 -0.252 0.000 2.744 398 T HA 0.357 4.699 4.350 -0.014 0.000 0.291 398 T C -0.875 173.588 174.700 -0.395 0.000 0.957 398 T CA -0.282 61.715 62.100 -0.172 0.000 1.002 398 T CB 0.386 69.211 68.868 -0.072 0.000 0.919 398 T HN 0.314 nan 8.240 nan 0.000 0.468 399 W N 2.401 123.512 121.300 -0.315 0.000 2.706 399 W HA 0.658 5.309 4.660 -0.015 0.000 0.346 399 W C -0.691 175.659 176.519 -0.281 0.000 1.071 399 W CA -1.005 56.106 57.345 -0.391 0.000 1.206 399 W CB 1.014 30.002 29.460 -0.788 0.000 1.413 399 W HN 0.174 nan 8.180 nan 0.000 0.542 400 L N 2.563 123.654 121.223 -0.220 0.000 2.329 400 L HA 0.461 4.793 4.340 -0.014 0.000 0.279 400 L C -1.431 175.154 176.870 -0.474 0.000 1.014 400 L CA -1.128 53.385 54.840 -0.545 0.000 0.814 400 L CB 1.290 42.541 42.059 -1.346 0.000 1.257 400 L HN 0.609 nan 8.230 nan 0.000 0.424 401 Y N 3.242 123.345 120.300 -0.329 0.000 2.361 401 Y HA 0.288 4.830 4.550 -0.013 0.000 0.328 401 Y C -0.742 175.118 175.900 -0.068 0.000 1.044 401 Y CA -0.715 57.302 58.100 -0.139 0.000 1.085 401 Y CB 1.521 40.000 38.460 0.032 0.000 1.194 401 Y HN 0.552 nan 8.280 nan 0.000 0.438 402 D N 5.120 125.167 120.400 -0.588 0.000 2.454 402 D HA 0.071 4.703 4.640 -0.014 0.000 0.225 402 D C 0.456 176.324 176.300 -0.720 0.000 1.081 402 D CA 0.002 53.765 54.000 -0.396 0.000 0.864 402 D CB 0.920 41.730 40.800 0.018 0.000 1.040 402 D HN 0.903 nan 8.370 nan 0.000 0.517 403 N N 2.263 120.554 118.700 -0.682 0.000 2.205 403 N HA -0.236 4.496 4.740 -0.014 0.000 0.186 403 N C 1.821 177.226 175.510 -0.175 0.000 1.015 403 N CA 2.510 55.321 53.050 -0.399 0.000 0.862 403 N CB 0.090 38.548 38.487 -0.049 0.000 0.986 403 N HN 0.475 nan 8.380 nan 0.000 0.429 404 T N -3.298 111.181 114.554 -0.125 0.000 2.746 404 T HA -0.170 4.172 4.350 -0.014 0.000 0.267 404 T C 1.908 176.582 174.700 -0.043 0.000 1.039 404 T CA 2.130 64.197 62.100 -0.055 0.000 1.142 404 T CB -1.205 67.644 68.868 -0.031 0.000 0.866 404 T HN 0.385 nan 8.240 nan 0.000 0.444 405 T N -2.592 111.929 114.554 -0.053 0.000 3.065 405 T HA 0.449 4.791 4.350 -0.014 0.000 0.252 405 T C 1.968 176.666 174.700 -0.005 0.000 1.099 405 T CA 0.812 62.904 62.100 -0.014 0.000 1.063 405 T CB -0.459 68.418 68.868 0.016 0.000 0.948 405 T HN 1.113 nan 8.240 nan 0.000 0.506 406 G N 1.536 110.298 108.800 -0.064 0.000 2.184 406 G HA2 -0.267 3.685 3.960 -0.014 0.000 0.264 406 G HA3 -0.267 3.685 3.960 -0.014 0.000 0.264 406 G C -0.005 174.976 174.900 0.134 0.000 0.975 406 G CA 0.355 45.473 45.100 0.030 0.000 0.642 406 G HN 0.678 nan 8.290 nan 0.000 0.536 407 K N 0.244 120.710 120.400 0.110 0.000 2.185 407 K HA 0.540 4.852 4.320 -0.014 0.000 0.271 407 K C 0.211 177.104 176.600 0.487 0.000 1.013 407 K CA -0.247 56.222 56.287 0.303 0.000 0.943 407 K CB 1.111 33.795 32.500 0.306 0.000 0.998 407 K HN 0.322 nan 8.250 nan 0.000 0.468 408 Q N 2.773 122.931 119.800 0.597 0.000 2.372 408 Q HA 0.444 4.776 4.340 -0.014 0.000 0.273 408 Q C -2.049 174.419 176.000 0.781 0.000 1.078 408 Q CA -0.904 55.272 55.803 0.621 0.000 0.806 408 Q CB 1.486 30.492 28.738 0.447 0.000 1.332 408 Q HN 0.710 nan 8.270 nan 0.000 0.435 409 W N 2.372 123.977 121.300 0.509 0.000 3.405 409 W HA 0.471 5.124 4.660 -0.012 0.000 0.329 409 W C -1.495 175.115 176.519 0.151 0.000 1.142 409 W CA -0.987 56.575 57.345 0.361 0.000 1.235 409 W CB 0.619 30.184 29.460 0.175 0.000 1.341 409 W HN 0.439 nan 8.180 nan 0.000 0.481 410 K N 3.110 123.447 120.400 -0.105 0.000 2.511 410 K HA -0.151 4.161 4.320 -0.014 0.000 0.280 410 K C 0.743 177.152 176.600 -0.317 0.000 1.008 410 K CA 0.644 56.456 56.287 -0.792 0.000 1.050 410 K CB 0.537 32.626 32.500 -0.685 0.000 0.889 410 K HN 0.760 nan 8.250 nan 0.000 0.484 411 N N 0.944 119.403 118.700 -0.401 0.000 2.545 411 N HA -0.038 4.694 4.740 -0.014 0.000 0.190 411 N C -0.791 174.617 175.510 -0.171 0.000 1.043 411 N CA 0.590 53.533 53.050 -0.179 0.000 0.879 411 N CB 0.597 38.991 38.487 -0.154 0.000 1.210 411 N HN 0.615 nan 8.380 nan 0.000 0.437 412 S N -0.771 114.783 115.700 -0.243 0.000 2.611 412 S HA 0.476 4.938 4.470 -0.014 0.000 0.270 412 S C -1.452 173.033 174.600 -0.192 0.000 1.131 412 S CA -0.850 57.245 58.200 -0.174 0.000 0.826 412 S CB 1.762 64.896 63.200 -0.109 0.000 1.095 412 S HN -0.128 nan 8.310 nan 0.000 0.461 413 V N 2.087 121.916 119.914 -0.142 0.000 2.638 413 V HA 0.655 4.767 4.120 -0.014 0.000 0.306 413 V C -0.900 175.131 176.094 -0.105 0.000 1.052 413 V CA -0.603 61.621 62.300 -0.127 0.000 0.885 413 V CB 1.801 33.550 31.823 -0.123 0.000 0.999 413 V HN 0.941 nan 8.190 nan 0.000 0.424 414 N N 2.206 120.847 118.700 -0.098 0.000 2.442 414 N HA 0.285 5.017 4.740 -0.014 0.000 0.274 414 N C 0.230 175.640 175.510 -0.165 0.000 1.002 414 N CA -0.304 52.687 53.050 -0.099 0.000 0.910 414 N CB 2.253 40.712 38.487 -0.048 0.000 1.244 414 N HN 0.541 nan 8.380 nan 0.000 0.492 415 S N 1.832 117.349 115.700 -0.306 0.000 2.605 415 S HA 0.116 4.578 4.470 -0.014 0.000 0.217 415 S C 0.358 174.503 174.600 -0.758 0.000 0.958 415 S CA 0.041 57.907 58.200 -0.558 0.000 0.919 415 S CB -0.059 62.688 63.200 -0.756 0.000 0.780 415 S HN 0.576 nan 8.310 nan 0.000 0.507 416 H N -0.538 118.487 119.070 -0.075 0.000 3.540 416 H HA 0.154 4.701 4.556 -0.015 0.000 0.259 416 H C 1.845 177.145 175.328 -0.046 0.000 1.197 416 H CA 0.793 56.802 56.048 -0.065 0.000 1.136 416 H CB -0.098 29.623 29.762 -0.067 0.000 1.605 416 H HN 0.451 nan 8.280 nan 0.000 0.657 417 T N -1.151 113.432 114.554 0.049 0.000 2.951 417 T HA 0.076 4.418 4.350 -0.014 0.000 0.268 417 T C 1.094 175.828 174.700 0.056 0.000 1.073 417 T CA 0.367 62.497 62.100 0.051 0.000 1.134 417 T CB 0.110 69.008 68.868 0.050 0.000 0.884 417 T HN 0.046 nan 8.240 nan 0.000 0.479 418 I N 1.966 122.562 120.570 0.042 0.000 2.428 418 I HA 0.475 4.637 4.170 -0.014 0.000 0.289 418 I C 1.118 177.255 176.117 0.034 0.000 1.019 418 I CA 0.271 61.600 61.300 0.048 0.000 1.351 418 I CB 0.787 38.806 38.000 0.032 0.000 1.412 418 I HN 0.526 nan 8.210 nan 0.000 0.513 419 G N 5.337 114.165 108.800 0.046 0.000 2.546 419 G HA2 -0.199 3.753 3.960 -0.014 0.000 0.285 419 G HA3 -0.199 3.753 3.960 -0.014 0.000 0.285 419 G C -0.303 174.591 174.900 -0.011 0.000 1.105 419 G CA -0.609 44.502 45.100 0.018 0.000 1.189 419 G HN 0.651 nan 8.290 nan 0.000 0.534 420 R N -0.833 119.678 120.500 0.017 0.000 2.854 420 R HA 0.569 4.901 4.340 -0.014 0.000 0.271 420 R C 0.470 176.782 176.300 0.021 0.000 0.996 420 R CA -1.236 54.791 56.100 -0.123 0.000 0.961 420 R CB 1.091 31.248 30.300 -0.237 0.000 1.182 420 R HN 0.434 nan 8.270 nan 0.000 0.479 421 Y N 0.273 120.595 120.300 0.037 0.000 3.007 421 Y HA -0.249 4.289 4.550 -0.019 0.000 0.212 421 Y C 0.208 176.155 175.900 0.078 0.000 1.180 421 Y CA -0.201 57.905 58.100 0.010 0.000 1.076 421 Y CB -1.690 36.700 38.460 -0.117 0.000 1.254 421 Y HN 0.440 nan 8.280 nan 0.000 0.534 422 I N 1.149 121.758 120.570 0.064 0.000 2.769 422 I HA -0.053 4.109 4.170 -0.014 0.000 0.285 422 I C 0.577 176.638 176.117 -0.094 0.000 1.173 422 I CA 0.819 62.058 61.300 -0.101 0.000 1.389 422 I CB 0.170 38.022 38.000 -0.248 0.000 1.404 422 I HN 0.206 nan 8.210 nan 0.000 0.544 423 S N 4.203 119.825 115.700 -0.130 0.000 2.600 423 S HA 0.718 5.180 4.470 -0.014 0.000 0.300 423 S C -0.194 174.316 174.600 -0.151 0.000 1.087 423 S CA -0.687 57.389 58.200 -0.207 0.000 0.965 423 S CB 2.498 65.454 63.200 -0.406 0.000 1.089 423 S HN 0.695 nan 8.310 nan 0.000 0.496 424 T N 0.783 115.269 114.554 -0.113 0.000 2.889 424 T HA 0.372 4.714 4.350 -0.014 0.000 0.315 424 T C -1.396 173.433 174.700 0.215 0.000 1.291 424 T CA -0.767 61.372 62.100 0.066 0.000 1.028 424 T CB 1.188 70.021 68.868 -0.058 0.000 1.235 424 T HN 0.619 nan 8.240 nan 0.000 0.491 425 K N 2.359 122.970 120.400 0.352 0.000 2.448 425 K HA 0.531 4.843 4.320 -0.014 0.000 0.278 425 K C 0.361 177.070 176.600 0.182 0.000 1.009 425 K CA -0.235 56.250 56.287 0.330 0.000 0.995 425 K CB 0.380 33.009 32.500 0.215 0.000 0.917 425 K HN 0.697 nan 8.250 nan 0.000 0.481 426 A N 3.302 126.206 122.820 0.139 0.000 2.366 426 A HA 0.184 4.496 4.320 -0.014 0.000 0.249 426 A C -0.332 177.268 177.584 0.026 0.000 1.084 426 A CA -0.596 51.483 52.037 0.070 0.000 0.794 426 A CB 0.570 19.599 19.000 0.048 0.000 1.034 426 A HN 0.560 nan 8.150 nan 0.000 0.491 427 V N 1.796 121.694 119.914 -0.026 0.000 2.446 427 V HA 0.426 4.538 4.120 -0.014 0.000 0.276 427 V C 1.537 177.583 176.094 -0.079 0.000 1.030 427 V CA 1.553 63.778 62.300 -0.125 0.000 1.033 427 V CB -0.193 31.521 31.823 -0.181 0.000 0.993 427 V HN 1.887 nan 8.190 nan 0.000 0.477 428 G N 4.003 112.758 108.800 -0.075 0.000 2.179 428 G HA2 -0.217 3.735 3.960 -0.014 0.000 0.260 428 G HA3 -0.217 3.735 3.960 -0.014 0.000 0.260 428 G C 0.226 175.120 174.900 -0.011 0.000 0.977 428 G CA 0.610 45.685 45.100 -0.041 0.000 0.641 428 G HN 1.499 nan 8.290 nan 0.000 0.533 429 S N -1.820 113.882 115.700 0.004 0.000 2.688 429 S HA 0.644 5.106 4.470 -0.014 0.000 0.275 429 S C 0.206 174.829 174.600 0.038 0.000 1.175 429 S CA 0.059 58.269 58.200 0.017 0.000 0.818 429 S CB 1.133 64.343 63.200 0.016 0.000 1.157 429 S HN 0.026 nan 8.310 nan 0.000 0.482 430 N N 0.863 119.586 118.700 0.038 0.000 2.322 430 N HA 0.348 5.080 4.740 -0.014 0.000 0.194 430 N C 0.513 176.101 175.510 0.131 0.000 1.126 430 N CA 0.452 53.533 53.050 0.053 0.000 0.845 430 N CB 0.093 38.582 38.487 0.004 0.000 0.976 430 N HN 0.820 nan 8.380 nan 0.000 0.475 431 A N 0.822 123.709 122.820 0.111 0.000 2.466 431 A HA 0.115 4.426 4.320 -0.014 0.000 0.238 431 A C 0.692 178.388 177.584 0.186 0.000 1.074 431 A CA -0.236 51.871 52.037 0.116 0.000 0.774 431 A CB 0.310 19.339 19.000 0.048 0.000 1.015 431 A HN 0.262 nan 8.150 nan 0.000 0.498 432 R N 2.248 122.791 120.500 0.073 0.000 2.216 432 R HA 0.372 4.704 4.340 -0.014 0.000 0.332 432 R C -0.330 175.837 176.300 -0.221 0.000 1.056 432 R CA -0.140 55.798 56.100 -0.271 0.000 0.901 432 R CB 0.259 30.144 30.300 -0.691 0.000 1.039 432 R HN 0.833 nan 8.270 nan 0.000 0.456 433 M N 4.772 124.273 119.600 -0.166 0.000 2.108 433 M HA 0.137 4.608 4.480 -0.014 0.000 0.354 433 M C -0.856 175.362 176.300 -0.136 0.000 1.229 433 M CA -0.275 54.968 55.300 -0.096 0.000 1.081 433 M CB 1.043 33.630 32.600 -0.021 0.000 1.606 433 M HN 0.525 nan 8.290 nan 0.000 0.467 434 D N 4.888 125.230 120.400 -0.096 0.000 2.280 434 D HA 0.230 4.862 4.640 -0.014 0.000 0.243 434 D C 0.187 176.472 176.300 -0.025 0.000 1.129 434 D CA -0.114 53.846 54.000 -0.066 0.000 0.848 434 D CB 1.329 42.115 40.800 -0.022 0.000 1.107 434 D HN 0.600 nan 8.370 nan 0.000 0.471 435 V N 1.566 121.471 119.914 -0.015 0.000 3.006 435 V HA 0.156 4.268 4.120 -0.014 0.000 0.357 435 V C 1.381 177.537 176.094 0.102 0.000 1.377 435 V CA -0.281 62.043 62.300 0.040 0.000 1.198 435 V CB -0.033 31.818 31.823 0.046 0.000 1.216 435 V HN 0.418 nan 8.190 nan 0.000 0.520 436 T N 1.904 116.486 114.554 0.047 0.000 2.720 436 T HA -0.206 4.136 4.350 -0.014 0.000 0.268 436 T C 1.572 176.319 174.700 0.078 0.000 1.037 436 T CA 2.346 64.476 62.100 0.050 0.000 1.144 436 T CB -0.438 68.420 68.868 -0.016 0.000 0.864 436 T HN 0.871 nan 8.240 nan 0.000 0.444 437 D N 1.173 121.592 120.400 0.031 0.000 2.384 437 D HA -0.121 4.511 4.640 -0.014 0.000 0.222 437 D C 1.654 177.931 176.300 -0.038 0.000 0.976 437 D CA 0.708 54.699 54.000 -0.015 0.000 0.915 437 D CB -0.096 40.690 40.800 -0.023 0.000 0.896 437 D HN 0.207 nan 8.370 nan 0.000 0.523 438 K N -0.350 120.077 120.400 0.044 0.000 2.211 438 K HA -0.009 4.303 4.320 -0.014 0.000 0.201 438 K C 1.640 178.209 176.600 -0.052 0.000 1.052 438 K CA 0.419 56.706 56.287 -0.000 0.000 0.973 438 K CB -0.354 32.171 32.500 0.041 0.000 0.766 438 K HN 0.290 nan 8.250 nan 0.000 0.466 439 Y N 1.472 121.766 120.300 -0.010 0.000 2.448 439 Y HA 0.008 4.546 4.550 -0.020 0.000 0.289 439 Y C 0.567 176.462 175.900 -0.008 0.000 1.114 439 Y CA 0.344 58.454 58.100 0.018 0.000 1.235 439 Y CB 0.423 38.913 38.460 0.051 0.000 1.045 439 Y HN -0.020 nan 8.280 nan 0.000 0.554 440 K N -2.475 117.983 120.400 0.097 0.000 2.597 440 K HA 0.309 4.621 4.320 -0.014 0.000 0.282 440 K C -1.765 174.839 176.600 0.007 0.000 0.975 440 K CA -0.962 55.370 56.287 0.076 0.000 0.867 440 K CB 0.774 33.335 32.500 0.102 0.000 1.465 440 K HN -0.208 nan 8.250 nan 0.000 0.417 441 Y N 0.762 121.113 120.300 0.084 0.000 2.314 441 Y HA 0.232 4.775 4.550 -0.011 0.000 0.334 441 Y C -1.917 174.002 175.900 0.032 0.000 1.266 441 Y CA -1.575 56.561 58.100 0.059 0.000 1.391 441 Y CB 0.291 38.791 38.460 0.067 0.000 1.306 441 Y HN 0.443 nan 8.280 nan 0.000 0.558 442 P HA -0.065 nan 4.420 nan 0.000 0.263 442 P C -0.965 176.336 177.300 0.002 0.000 1.175 442 P CA 0.039 63.170 63.100 0.051 0.000 0.761 442 P CB 0.174 31.903 31.700 0.048 0.000 0.794 443 E N 2.552 122.678 120.200 -0.123 0.000 2.351 443 E HA 0.305 4.647 4.350 -0.014 0.000 0.266 443 E C 0.936 177.385 176.600 -0.251 0.000 1.031 443 E CA -0.173 56.023 56.400 -0.340 0.000 0.911 443 E CB -0.358 28.857 29.700 -0.810 0.000 0.986 443 E HN 0.699 nan 8.360 nan 0.000 0.446 444 G N 3.140 111.855 108.800 -0.142 0.000 2.352 444 G HA2 -0.315 3.637 3.960 -0.014 0.000 0.204 444 G HA3 -0.315 3.637 3.960 -0.014 0.000 0.204 444 G C 0.367 175.258 174.900 -0.014 0.000 1.004 444 G CA -0.072 44.989 45.100 -0.065 0.000 0.648 444 G HN 0.980 nan 8.290 nan 0.000 0.491 445 S N 0.895 116.596 115.700 0.001 0.000 2.584 445 S HA 0.436 4.898 4.470 -0.014 0.000 0.270 445 S C 0.889 175.491 174.600 0.004 0.000 1.346 445 S CA 0.562 58.770 58.200 0.012 0.000 1.018 445 S CB 1.389 64.616 63.200 0.045 0.000 0.899 445 S HN 0.161 nan 8.310 nan 0.000 0.542 446 D N 1.414 121.802 120.400 -0.019 0.000 2.117 446 D HA -0.090 4.541 4.640 -0.014 0.000 0.198 446 D C 2.030 178.296 176.300 -0.058 0.000 0.982 446 D CA 1.392 55.377 54.000 -0.026 0.000 0.828 446 D CB -0.431 40.349 40.800 -0.033 0.000 0.967 446 D HN 0.662 nan 8.370 nan 0.000 0.464 447 Q N 0.843 120.551 119.800 -0.154 0.000 2.062 447 Q HA -0.239 4.093 4.340 -0.014 0.000 0.209 447 Q C 1.982 177.889 176.000 -0.154 0.000 0.996 447 Q CA 1.988 57.585 55.803 -0.343 0.000 0.859 447 Q CB -0.337 27.837 28.738 -0.941 0.000 0.920 447 Q HN 0.306 nan 8.270 nan 0.000 0.415 448 E N 0.604 120.803 120.200 -0.002 0.000 2.065 448 E HA -0.279 4.062 4.350 -0.014 0.000 0.201 448 E C 1.854 178.566 176.600 0.188 0.000 1.016 448 E CA 1.726 58.227 56.400 0.168 0.000 0.818 448 E CB -0.170 29.628 29.700 0.165 0.000 0.749 448 E HN 0.084 nan 8.360 nan 0.000 0.453 449 R N 0.153 120.726 120.500 0.122 0.000 2.092 449 R HA 0.038 4.370 4.340 -0.014 0.000 0.231 449 R C 2.508 178.904 176.300 0.160 0.000 1.119 449 R CA 1.926 58.108 56.100 0.137 0.000 0.970 449 R CB -0.447 29.896 30.300 0.072 0.000 0.864 449 R HN 0.478 nan 8.270 nan 0.000 0.440 450 Q N -0.719 119.130 119.800 0.082 0.000 2.084 450 Q HA -0.108 4.224 4.340 -0.014 0.000 0.202 450 Q C 1.999 178.054 176.000 0.091 0.000 0.978 450 Q CA 1.635 57.472 55.803 0.056 0.000 0.844 450 Q CB -0.111 28.620 28.738 -0.012 0.000 0.898 450 Q HN 0.125 nan 8.270 nan 0.000 0.426 451 V N 0.564 120.554 119.914 0.126 0.000 2.295 451 V HA -0.251 3.861 4.120 -0.014 0.000 0.246 451 V C 1.917 178.158 176.094 0.245 0.000 1.049 451 V CA 1.799 64.212 62.300 0.189 0.000 1.024 451 V CB -0.595 31.414 31.823 0.311 0.000 0.648 451 V HN 0.295 nan 8.190 nan 0.000 0.447 452 F N 0.692 120.771 119.950 0.215 0.000 2.095 452 F HA -0.237 4.281 4.527 -0.016 0.000 0.298 452 F C 2.664 178.527 175.800 0.105 0.000 1.104 452 F CA 1.917 60.062 58.000 0.241 0.000 1.232 452 F CB -0.220 38.890 39.000 0.185 0.000 0.987 452 F HN 0.113 nan 8.300 nan 0.000 0.475 453 Q N 0.621 120.561 119.800 0.234 0.000 2.084 453 Q HA -0.248 4.083 4.340 -0.014 0.000 0.202 453 Q C 2.270 178.252 176.000 -0.030 0.000 0.978 453 Q CA 1.803 57.667 55.803 0.102 0.000 0.844 453 Q CB -0.692 28.111 28.738 0.109 0.000 0.898 453 Q HN 0.509 nan 8.270 nan 0.000 0.426 454 K N 0.482 120.864 120.400 -0.031 0.000 1.991 454 K HA -0.163 4.149 4.320 -0.014 0.000 0.212 454 K C 2.061 178.548 176.600 -0.189 0.000 1.049 454 K CA 1.525 57.762 56.287 -0.084 0.000 0.932 454 K CB -0.180 32.287 32.500 -0.055 0.000 0.717 454 K HN 0.116 nan 8.250 nan 0.000 0.441 455 A N 1.304 123.931 122.820 -0.321 0.000 1.883 455 A HA -0.180 4.132 4.320 -0.014 0.000 0.217 455 A C 2.123 179.457 177.584 -0.416 0.000 1.186 455 A CA 1.656 53.367 52.037 -0.544 0.000 0.624 455 A CB -0.760 17.536 19.000 -1.174 0.000 0.822 455 A HN 0.441 nan 8.150 nan 0.000 0.444 456 L N 0.117 121.102 121.223 -0.398 0.000 2.046 456 L HA -0.030 4.302 4.340 -0.014 0.000 0.208 456 L C 2.419 179.190 176.870 -0.165 0.000 1.077 456 L CA 2.296 56.962 54.840 -0.289 0.000 0.747 456 L CB -1.041 40.851 42.059 -0.278 0.000 0.896 456 L HN 0.314 nan 8.230 nan 0.000 0.432 457 G N -0.896 107.824 108.800 -0.135 0.000 2.450 457 G HA2 -0.261 3.691 3.960 -0.014 0.000 0.220 457 G HA3 -0.261 3.691 3.960 -0.014 0.000 0.220 457 G C 1.649 176.492 174.900 -0.096 0.000 1.130 457 G CA 0.871 45.918 45.100 -0.088 0.000 0.760 457 G HN 0.444 nan 8.290 nan 0.000 0.557 458 K N -0.321 120.000 120.400 -0.132 0.000 2.228 458 K HA 0.224 4.536 4.320 -0.014 0.000 0.202 458 K C 2.371 178.902 176.600 -0.116 0.000 1.051 458 K CA 0.210 56.423 56.287 -0.124 0.000 0.960 458 K CB -0.079 32.328 32.500 -0.154 0.000 0.743 458 K HN 0.277 nan 8.250 nan 0.000 0.458 459 L N 0.591 121.736 121.223 -0.130 0.000 2.095 459 L HA -0.067 4.265 4.340 -0.014 0.000 0.204 459 L C 0.480 177.307 176.870 -0.071 0.000 1.080 459 L CA 1.113 55.891 54.840 -0.103 0.000 0.759 459 L CB 0.051 42.042 42.059 -0.113 0.000 0.914 459 L HN -0.016 nan 8.230 nan 0.000 0.439 460 K N 0.074 120.435 120.400 -0.066 0.000 2.723 460 K HA 0.353 4.665 4.320 -0.014 0.000 0.229 460 K C -2.349 174.228 176.600 -0.038 0.000 1.022 460 K CA -1.351 54.910 56.287 -0.043 0.000 1.045 460 K CB 1.655 34.138 32.500 -0.029 0.000 1.227 460 K HN -0.137 nan 8.250 nan 0.000 0.516 480 P HA 0.125 nan 4.420 nan 0.000 0.263 480 P C 0.280 177.581 177.300 0.001 0.000 1.195 480 P CA 0.433 63.532 63.100 -0.001 0.000 0.762 480 P CB 1.012 32.710 31.700 -0.002 0.000 0.799 481 S N 1.906 117.607 115.700 0.002 0.000 2.406 481 S HA 0.001 4.463 4.470 -0.014 0.000 0.228 481 S C 0.941 175.544 174.600 0.005 0.000 1.020 481 S CA 0.689 58.892 58.200 0.004 0.000 0.965 481 S CB -0.055 63.148 63.200 0.004 0.000 0.798 481 S HN 0.380 nan 8.310 nan 0.000 0.488 482 I N 2.888 123.461 120.570 0.006 0.000 2.354 482 I HA 0.422 4.583 4.170 -0.014 0.000 0.292 482 I C -0.189 175.931 176.117 0.005 0.000 0.989 482 I CA -1.097 60.208 61.300 0.007 0.000 1.188 482 I CB 0.959 38.965 38.000 0.009 0.000 1.342 482 I HN 0.145 nan 8.210 nan 0.000 0.457 483 I N 2.547 123.121 120.570 0.006 0.000 2.474 483 I HA 0.930 5.091 4.170 -0.014 0.000 0.294 483 I C 0.099 176.221 176.117 0.008 0.000 1.005 483 I CA -0.521 60.782 61.300 0.005 0.000 1.113 483 I CB 2.113 40.116 38.000 0.005 0.000 1.289 483 I HN 0.531 nan 8.210 nan 0.000 0.436 484 G N 3.631 112.435 108.800 0.006 0.000 2.533 484 G HA2 0.714 4.666 3.960 -0.014 0.000 0.304 484 G HA3 0.714 4.666 3.960 -0.014 0.000 0.304 484 G C -1.563 173.344 174.900 0.012 0.000 1.263 484 G CA -0.786 44.320 45.100 0.011 0.000 0.964 484 G HN 0.811 nan 8.290 nan 0.000 0.479 485 K N 0.592 121.003 120.400 0.020 0.000 2.561 485 K HA 0.467 4.779 4.320 -0.014 0.000 0.254 485 K C -1.766 174.851 176.600 0.029 0.000 0.942 485 K CA -0.551 55.748 56.287 0.021 0.000 0.818 485 K CB 1.300 33.812 32.500 0.019 0.000 1.306 485 K HN 0.349 nan 8.250 nan 0.000 0.435 486 L N 4.463 125.705 121.223 0.031 0.000 2.264 486 L HA 0.525 4.857 4.340 -0.014 0.000 0.289 486 L C -0.110 176.777 176.870 0.029 0.000 1.044 486 L CA -0.512 54.350 54.840 0.036 0.000 0.807 486 L CB 1.302 43.386 42.059 0.042 0.000 1.192 486 L HN 0.521 nan 8.230 nan 0.000 0.425 487 K N 2.644 123.059 120.400 0.025 0.000 2.259 487 K HA 0.544 4.855 4.320 -0.014 0.000 0.252 487 K C -1.054 175.551 176.600 0.009 0.000 0.936 487 K CA -0.883 55.414 56.287 0.016 0.000 0.810 487 K CB 2.885 35.394 32.500 0.015 0.000 1.143 487 K HN 0.199 nan 8.250 nan 0.000 0.427 488 V N 2.051 121.968 119.914 0.005 0.000 2.498 488 V HA 0.254 4.366 4.120 -0.014 0.000 0.279 488 V C -0.061 176.030 176.094 -0.004 0.000 1.048 488 V CA -0.510 61.789 62.300 -0.002 0.000 0.967 488 V CB 1.169 32.992 31.823 -0.001 0.000 0.988 488 V HN 0.857 nan 8.190 nan 0.000 0.473 489 A N 4.660 127.475 122.820 -0.008 0.000 2.249 489 A HA 0.804 5.116 4.320 -0.014 0.000 0.314 489 A C 0.695 178.275 177.584 -0.006 0.000 1.290 489 A CA 0.331 52.364 52.037 -0.007 0.000 0.893 489 A CB 0.196 19.191 19.000 -0.009 0.000 1.165 489 A HN 1.883 nan 8.150 nan 0.000 0.530 490 G N 1.482 110.279 108.800 -0.005 0.000 2.698 490 G HA2 -0.107 3.845 3.960 -0.014 0.000 0.233 490 G HA3 -0.107 3.845 3.960 -0.014 0.000 0.233 490 G C 0.221 175.119 174.900 -0.003 0.000 1.352 490 G CA 0.075 45.172 45.100 -0.004 0.000 0.879 490 G HN 1.527 nan 8.290 nan 0.000 0.567 491 M N 0.086 119.685 119.600 -0.001 0.000 2.249 491 M HA 0.643 5.115 4.480 -0.014 0.000 0.351 491 M C -0.304 176.002 176.300 0.010 0.000 1.180 491 M CA -0.454 54.846 55.300 0.001 0.000 1.127 491 M CB 0.448 33.047 32.600 -0.003 0.000 1.546 491 M HN 0.465 nan 8.290 nan 0.000 0.461 492 L N 4.791 126.020 121.223 0.011 0.000 2.298 492 L HA 0.767 5.099 4.340 -0.014 0.000 0.284 492 L C -0.684 176.204 176.870 0.031 0.000 1.013 492 L CA -0.625 54.225 54.840 0.018 0.000 0.824 492 L CB 1.481 43.541 42.059 0.002 0.000 1.221 492 L HN 0.876 nan 8.230 nan 0.000 0.418 493 A N 3.055 125.911 122.820 0.060 0.000 2.520 493 A HA 0.616 4.928 4.320 -0.014 0.000 0.298 493 A C -0.758 176.927 177.584 0.169 0.000 1.051 493 A CA -0.539 51.550 52.037 0.086 0.000 0.690 493 A CB 1.674 20.707 19.000 0.054 0.000 1.281 493 A HN 0.289 nan 8.150 nan 0.000 0.402 494 V N 2.239 122.297 119.914 0.240 0.000 2.475 494 V HA 0.412 4.524 4.120 -0.014 0.000 0.292 494 V C 1.495 177.806 176.094 0.361 0.000 1.003 494 V CA 2.092 64.641 62.300 0.416 0.000 1.120 494 V CB -0.097 32.051 31.823 0.543 0.000 0.937 494 V HN 2.148 nan 8.190 nan 0.000 0.476 495 G N 4.574 113.511 108.800 0.229 0.000 2.428 495 G HA2 -0.149 3.803 3.960 -0.014 0.000 0.199 495 G HA3 -0.149 3.803 3.960 -0.014 0.000 0.199 495 G C 0.198 175.002 174.900 -0.159 0.000 1.005 495 G CA -0.310 44.563 45.100 -0.378 0.000 0.671 495 G HN 0.570 nan 8.290 nan 0.000 0.485 496 K N 1.610 122.076 120.400 0.109 0.000 2.095 496 K HA 0.521 4.833 4.320 -0.014 0.000 0.252 496 K C 0.447 177.199 176.600 0.253 0.000 0.977 496 K CA -0.389 55.970 56.287 0.120 0.000 0.900 496 K CB 1.322 33.873 32.500 0.085 0.000 1.060 496 K HN 0.597 nan 8.250 nan 0.000 0.449 497 E N 0.252 120.560 120.200 0.180 0.000 2.392 497 E HA 0.144 4.486 4.350 -0.014 0.000 0.259 497 E C -0.754 175.955 176.600 0.181 0.000 1.108 497 E CA -0.749 55.781 56.400 0.216 0.000 0.916 497 E CB 0.701 30.469 29.700 0.115 0.000 0.989 497 E HN 0.036 nan 8.360 nan 0.000 0.432 498 V N 2.770 122.789 119.914 0.176 0.000 2.383 498 V HA 0.192 4.304 4.120 -0.014 0.000 0.275 498 V C -0.336 175.743 176.094 -0.025 0.000 1.036 498 V CA -0.694 61.635 62.300 0.047 0.000 0.889 498 V CB 0.742 32.561 31.823 -0.007 0.000 0.985 498 V HN 0.637 nan 8.190 nan 0.000 0.459 499 N N 5.798 124.480 118.700 -0.029 0.000 2.399 499 N HA 0.679 5.411 4.740 -0.014 0.000 0.280 499 N C -1.040 174.440 175.510 -0.051 0.000 1.008 499 N CA -0.326 52.695 53.050 -0.048 0.000 0.894 499 N CB 2.500 40.975 38.487 -0.021 0.000 1.273 499 N HN 0.486 nan 8.380 nan 0.000 0.486 500 L N 0.719 121.899 121.223 -0.072 0.000 2.277 500 L HA 0.740 5.072 4.340 -0.014 0.000 0.254 500 L C -0.566 176.293 176.870 -0.019 0.000 1.044 500 L CA -1.121 53.693 54.840 -0.045 0.000 0.842 500 L CB 2.110 44.133 42.059 -0.060 0.000 1.422 500 L HN 0.007 nan 8.230 nan 0.000 0.422 501 V N 1.519 121.440 119.914 0.012 0.000 2.733 501 V HA 0.347 4.459 4.120 -0.014 0.000 0.306 501 V C -1.142 174.992 176.094 0.066 0.000 1.084 501 V CA -0.472 61.853 62.300 0.042 0.000 0.905 501 V CB 2.515 34.355 31.823 0.028 0.000 1.010 501 V HN 0.446 nan 8.190 nan 0.000 0.424 502 L N 6.245 127.536 121.223 0.114 0.000 2.257 502 L HA 0.591 4.923 4.340 -0.014 0.000 0.290 502 L C -0.741 176.183 176.870 0.090 0.000 1.044 502 L CA 0.258 55.160 54.840 0.104 0.000 0.810 502 L CB 0.735 42.873 42.059 0.131 0.000 1.193 502 L HN 0.553 nan 8.230 nan 0.000 0.425 503 L N 6.755 128.013 121.223 0.059 0.000 2.264 503 L HA 0.478 4.810 4.340 -0.014 0.000 0.289 503 L C -0.570 176.325 176.870 0.041 0.000 1.044 503 L CA -0.312 54.557 54.840 0.048 0.000 0.807 503 L CB 1.006 43.085 42.059 0.034 0.000 1.192 503 L HN 0.554 nan 8.230 nan 0.000 0.425 504 L N 4.174 125.422 121.223 0.043 0.000 2.362 504 L HA 0.627 4.958 4.340 -0.014 0.000 0.271 504 L C -0.463 176.424 176.870 0.028 0.000 1.002 504 L CA -0.694 54.166 54.840 0.033 0.000 0.818 504 L CB 2.433 44.514 42.059 0.037 0.000 1.298 504 L HN 0.519 nan 8.230 nan 0.000 0.420 505 K N 1.798 122.210 120.400 0.021 0.000 2.501 505 K HA 0.321 4.633 4.320 -0.014 0.000 0.252 505 K C -1.280 175.329 176.600 0.014 0.000 0.934 505 K CA -0.735 55.562 56.287 0.018 0.000 0.797 505 K CB 1.883 34.392 32.500 0.015 0.000 1.270 505 K HN 0.464 nan 8.250 nan 0.000 0.431 506 N N 4.969 123.677 118.700 0.014 0.000 2.420 506 N HA 0.181 4.913 4.740 -0.014 0.000 0.249 506 N C 0.175 175.690 175.510 0.009 0.000 1.033 506 N CA -0.238 52.819 53.050 0.011 0.000 0.944 506 N CB 0.663 39.157 38.487 0.012 0.000 1.113 506 N HN 0.681 nan 8.380 nan 0.000 0.502 507 L N 1.287 122.514 121.223 0.007 0.000 2.567 507 L HA 0.114 4.446 4.340 -0.014 0.000 0.225 507 L C 1.217 178.090 176.870 0.004 0.000 1.119 507 L CA -0.054 54.790 54.840 0.005 0.000 0.871 507 L CB -0.358 41.703 42.059 0.004 0.000 1.036 507 L HN 0.496 nan 8.230 nan 0.000 0.459 508 S N -0.116 115.587 115.700 0.005 0.000 2.655 508 S HA 0.214 4.676 4.470 -0.014 0.000 0.265 508 S C 0.993 175.595 174.600 0.004 0.000 1.240 508 S CA -0.606 57.596 58.200 0.003 0.000 0.986 508 S CB 0.945 64.147 63.200 0.003 0.000 0.985 508 S HN 0.197 nan 8.310 nan 0.000 0.562 509 R N 0.145 120.647 120.500 0.003 0.000 2.317 509 R HA 0.249 4.581 4.340 -0.014 0.000 0.208 509 R C -0.730 175.572 176.300 0.003 0.000 0.914 509 R CA 0.013 56.115 56.100 0.003 0.000 1.060 509 R CB -0.200 30.102 30.300 0.002 0.000 1.015 509 R HN 0.595 nan 8.270 nan 0.000 0.498 510 D N 0.397 120.799 120.400 0.004 0.000 2.269 510 D HA 0.162 4.794 4.640 -0.014 0.000 0.244 510 D C -0.278 176.025 176.300 0.005 0.000 0.992 510 D CA -0.369 53.633 54.000 0.004 0.000 0.894 510 D CB 1.661 42.463 40.800 0.003 0.000 1.248 510 D HN -0.258 nan 8.370 nan 0.000 0.468 511 T N 2.142 116.700 114.554 0.006 0.000 2.870 511 T HA 0.204 4.546 4.350 -0.014 0.000 0.300 511 T C 0.242 174.947 174.700 0.008 0.000 0.989 511 T CA -0.229 61.875 62.100 0.008 0.000 1.139 511 T CB 0.474 69.347 68.868 0.008 0.000 0.920 511 T HN -0.023 nan 8.240 nan 0.000 0.537 512 K N 2.591 122.996 120.400 0.010 0.000 2.259 512 K HA 0.453 4.765 4.320 -0.014 0.000 0.252 512 K C -0.391 176.216 176.600 0.012 0.000 0.936 512 K CA -0.703 55.589 56.287 0.010 0.000 0.810 512 K CB 2.109 34.615 32.500 0.010 0.000 1.143 512 K HN 0.415 nan 8.250 nan 0.000 0.427 513 T N 1.628 116.188 114.554 0.011 0.000 2.770 513 T HA 0.303 4.645 4.350 -0.014 0.000 0.297 513 T C -0.157 174.551 174.700 0.013 0.000 0.997 513 T CA -0.540 61.568 62.100 0.013 0.000 0.949 513 T CB 0.702 69.576 68.868 0.011 0.000 0.941 513 T HN 0.124 nan 8.240 nan 0.000 0.457 514 V N 4.257 124.180 119.914 0.015 0.000 2.394 514 V HA 0.386 4.497 4.120 -0.014 0.000 0.282 514 V C 0.574 176.675 176.094 0.010 0.000 1.031 514 V CA -0.731 61.577 62.300 0.013 0.000 0.881 514 V CB 1.541 33.373 31.823 0.015 0.000 0.982 514 V HN 0.854 nan 8.190 nan 0.000 0.451 515 T N 4.837 119.396 114.554 0.008 0.000 2.767 515 T HA 0.545 4.886 4.350 -0.014 0.000 0.288 515 T C -0.251 174.445 174.700 -0.006 0.000 0.963 515 T CA -0.268 61.834 62.100 0.003 0.000 1.019 515 T CB 1.255 70.129 68.868 0.009 0.000 0.923 515 T HN 0.393 nan 8.240 nan 0.000 0.468 516 V N 5.006 124.904 119.914 -0.027 0.000 2.487 516 V HA 0.467 4.578 4.120 -0.014 0.000 0.298 516 V C -0.358 175.701 176.094 -0.058 0.000 1.028 516 V CA -1.059 61.213 62.300 -0.047 0.000 0.860 516 V CB 1.649 33.418 31.823 -0.090 0.000 0.991 516 V HN 0.780 nan 8.190 nan 0.000 0.427 517 N N 5.590 124.270 118.700 -0.033 0.000 2.443 517 N HA 0.675 5.407 4.740 -0.014 0.000 0.269 517 N C -0.940 174.565 175.510 -0.008 0.000 0.985 517 N CA -0.327 52.706 53.050 -0.030 0.000 0.921 517 N CB 2.170 40.657 38.487 -0.002 0.000 1.195 517 N HN 0.592 nan 8.380 nan 0.000 0.492 518 M N 0.639 120.223 119.600 -0.027 0.000 2.602 518 M HA 0.501 4.973 4.480 -0.014 0.000 0.312 518 M C 0.211 176.538 176.300 0.045 0.000 1.181 518 M CA -0.670 54.673 55.300 0.072 0.000 0.910 518 M CB 2.404 35.128 32.600 0.207 0.000 1.723 518 M HN 0.477 nan 8.290 nan 0.000 0.459 519 T N -0.953 113.757 114.554 0.260 0.000 2.864 519 T HA 0.928 5.270 4.350 -0.014 0.000 0.299 519 T C -1.496 173.538 174.700 0.556 0.000 1.166 519 T CA -0.950 61.349 62.100 0.332 0.000 1.007 519 T CB 2.044 71.149 68.868 0.396 0.000 1.219 519 T HN 0.885 nan 8.240 nan 0.000 0.506 520 A N 0.873 124.029 122.820 0.560 0.000 2.402 520 A HA 0.674 4.986 4.320 -0.014 0.000 0.291 520 A C -1.910 175.898 177.584 0.374 0.000 1.051 520 A CA -0.880 51.452 52.037 0.491 0.000 0.716 520 A CB 0.722 20.009 19.000 0.478 0.000 1.223 520 A HN 0.720 nan 8.150 nan 0.000 0.425 521 W N 1.467 122.877 121.300 0.184 0.000 2.702 521 W HA 0.563 5.214 4.660 -0.014 0.000 0.331 521 W C 0.565 177.168 176.519 0.141 0.000 1.049 521 W CA -0.110 57.322 57.345 0.145 0.000 1.230 521 W CB 2.100 31.622 29.460 0.103 0.000 1.408 521 W HN 0.770 nan 8.180 nan 0.000 0.492 522 T N 1.650 116.409 114.554 0.342 0.000 2.907 522 T HA 0.695 5.037 4.350 -0.014 0.000 0.298 522 T C -0.149 174.727 174.700 0.294 0.000 1.017 522 T CA -0.350 61.916 62.100 0.276 0.000 1.118 522 T CB 0.678 69.703 68.868 0.261 0.000 0.948 522 T HN 0.420 nan 8.240 nan 0.000 0.531 523 I N -1.077 119.631 120.570 0.230 0.000 3.264 523 I HA 0.685 4.847 4.170 -0.014 0.000 0.315 523 I C -1.215 175.008 176.117 0.176 0.000 1.154 523 I CA -1.867 59.546 61.300 0.188 0.000 0.962 523 I CB 1.802 39.892 38.000 0.150 0.000 1.265 523 I HN 0.366 nan 8.210 nan 0.000 0.463 524 I N 1.995 122.643 120.570 0.129 0.000 2.498 524 I HA 0.171 4.332 4.170 -0.014 0.000 0.301 524 I C 0.896 177.062 176.117 0.083 0.000 0.984 524 I CA -0.502 60.894 61.300 0.159 0.000 1.204 524 I CB 1.347 39.419 38.000 0.120 0.000 1.362 524 I HN 0.935 nan 8.210 nan 0.000 0.471 525 Y N 4.661 125.021 120.300 0.099 0.000 2.228 525 Y HA -0.322 4.221 4.550 -0.012 0.000 0.285 525 Y C 1.655 177.470 175.900 -0.141 0.000 1.178 525 Y CA 2.036 60.158 58.100 0.036 0.000 1.202 525 Y CB -0.952 37.542 38.460 0.057 0.000 0.974 525 Y HN 0.746 nan 8.280 nan 0.000 0.527 526 N N -0.376 117.630 118.700 -1.157 0.000 2.457 526 N HA 0.125 4.857 4.740 -0.014 0.000 0.180 526 N C 1.534 176.637 175.510 -0.678 0.000 1.050 526 N CA 0.669 52.836 53.050 -1.472 0.000 0.906 526 N CB 0.040 37.059 38.487 -2.447 0.000 0.968 526 N HN 0.552 nan 8.380 nan 0.000 0.445 527 G N -0.817 107.773 108.800 -0.349 0.000 2.192 527 G HA2 -0.222 3.730 3.960 -0.014 0.000 0.193 527 G HA3 -0.222 3.730 3.960 -0.014 0.000 0.193 527 G C -0.079 174.743 174.900 -0.130 0.000 0.999 527 G CA -0.032 44.975 45.100 -0.154 0.000 0.659 527 G HN 0.321 nan 8.290 nan 0.000 0.503 528 T N 2.582 117.044 114.554 -0.153 0.000 2.792 528 T HA 0.361 4.703 4.350 -0.014 0.000 0.286 528 T C 1.000 175.700 174.700 -0.000 0.000 0.970 528 T CA 0.253 62.307 62.100 -0.076 0.000 1.187 528 T CB 0.450 69.296 68.868 -0.036 0.000 0.915 528 T HN 0.329 nan 8.240 nan 0.000 0.529 529 L N 4.806 126.017 121.223 -0.020 0.000 2.418 529 L HA 0.133 4.465 4.340 -0.014 0.000 0.274 529 L C 1.379 178.377 176.870 0.213 0.000 1.135 529 L CA -0.458 54.414 54.840 0.054 0.000 0.870 529 L CB 0.507 42.437 42.059 -0.215 0.000 1.154 529 L HN 0.525 nan 8.230 nan 0.000 0.462 530 V N 2.278 122.394 119.914 0.337 0.000 2.391 530 V HA 0.115 4.227 4.120 -0.014 0.000 0.237 530 V C 0.334 176.636 176.094 0.348 0.000 1.046 530 V CA 0.649 63.132 62.300 0.304 0.000 1.053 530 V CB -0.092 31.889 31.823 0.264 0.000 0.704 530 V HN 0.751 nan 8.190 nan 0.000 0.475 531 H N -0.256 118.903 119.070 0.149 0.000 3.112 531 H HA 0.248 4.796 4.556 -0.014 0.000 0.347 531 H C -1.159 173.682 175.328 -0.810 0.000 1.188 531 H CA -0.593 55.213 56.048 -0.403 0.000 1.240 531 H CB 1.932 31.295 29.762 -0.665 0.000 1.920 531 H HN 0.403 nan 8.280 nan 0.000 0.535 532 E N 2.688 121.968 120.200 -1.534 0.000 2.376 532 E HA 0.197 4.539 4.350 -0.014 0.000 0.266 532 E C 0.393 176.757 176.600 -0.394 0.000 1.009 532 E CA 0.008 55.594 56.400 -1.357 0.000 0.902 532 E CB 0.752 29.683 29.700 -1.282 0.000 0.972 532 E HN 0.423 nan 8.360 nan 0.000 0.439 533 V N 2.116 121.947 119.914 -0.138 0.000 3.604 533 V HA 0.409 4.521 4.120 -0.014 0.000 0.277 533 V C -0.204 176.041 176.094 0.251 0.000 1.399 533 V CA -0.350 62.019 62.300 0.115 0.000 1.034 533 V CB -0.442 31.524 31.823 0.238 0.000 0.824 533 V HN 0.696 nan 8.190 nan 0.000 0.439 534 W N 1.764 123.048 121.300 -0.027 0.000 3.464 534 W HA 0.602 5.254 4.660 -0.014 0.000 0.292 534 W C -1.874 174.660 176.519 0.025 0.000 1.262 534 W CA -0.607 56.753 57.345 0.024 0.000 1.202 534 W CB 1.205 30.711 29.460 0.077 0.000 1.334 534 W HN 0.218 nan 8.180 nan 0.000 0.561 535 K N 3.682 123.524 120.400 -0.930 0.000 2.568 535 K HA 0.783 5.095 4.320 -0.014 0.000 0.273 535 K C -2.075 173.798 176.600 -1.212 0.000 0.951 535 K CA -0.833 54.895 56.287 -0.933 0.000 0.854 535 K CB 2.697 34.975 32.500 -0.370 0.000 1.424 535 K HN 0.345 nan 8.250 nan 0.000 0.427 536 D N -0.061 119.806 120.400 -0.887 0.000 2.694 536 D HA 0.404 5.036 4.640 -0.014 0.000 0.260 536 D C -1.823 174.317 176.300 -0.267 0.000 1.250 536 D CA -0.069 53.624 54.000 -0.512 0.000 0.763 536 D CB 2.182 42.718 40.800 -0.439 0.000 1.311 536 D HN 0.790 nan 8.370 nan 0.000 0.420 537 S N 0.268 115.883 115.700 -0.142 0.000 2.651 537 S HA 1.041 5.503 4.470 -0.014 0.000 0.279 537 S C -1.233 173.326 174.600 -0.069 0.000 1.148 537 S CA -0.212 57.926 58.200 -0.104 0.000 0.837 537 S CB 1.811 64.970 63.200 -0.069 0.000 1.138 537 S HN 1.194 nan 8.310 nan 0.000 0.478 538 A N 0.364 123.141 122.820 -0.072 0.000 2.597 538 A HA 0.753 5.064 4.320 -0.014 0.000 0.292 538 A C -1.027 176.551 177.584 -0.010 0.000 1.057 538 A CA -0.761 51.264 52.037 -0.020 0.000 0.674 538 A CB 1.143 20.123 19.000 -0.035 0.000 1.278 538 A HN 0.950 nan 8.150 nan 0.000 0.416 539 T N 1.850 116.419 114.554 0.025 0.000 2.890 539 T HA 0.618 4.960 4.350 -0.014 0.000 0.295 539 T C -0.551 174.173 174.700 0.040 0.000 0.993 539 T CA -0.049 62.065 62.100 0.023 0.000 0.979 539 T CB 0.629 69.509 68.868 0.020 0.000 0.967 539 T HN 0.555 nan 8.240 nan 0.000 0.441 540 M N 2.075 121.698 119.600 0.038 0.000 2.456 540 M HA 0.529 5.001 4.480 -0.014 0.000 0.324 540 M C 0.048 176.368 176.300 0.033 0.000 1.124 540 M CA -0.808 54.519 55.300 0.046 0.000 0.959 540 M CB 2.292 34.927 32.600 0.059 0.000 1.692 540 M HN 0.475 nan 8.290 nan 0.000 0.444 541 S N 3.762 119.480 115.700 0.031 0.000 2.429 541 S HA 0.716 5.178 4.470 -0.014 0.000 0.302 541 S C -1.028 173.587 174.600 0.024 0.000 1.115 541 S CA -0.712 57.502 58.200 0.023 0.000 1.095 541 S CB 0.259 63.471 63.200 0.020 0.000 0.987 541 S HN 0.630 nan 8.310 nan 0.000 0.474 542 L N 4.127 125.363 121.223 0.021 0.000 2.341 542 L HA 0.560 4.892 4.340 -0.014 0.000 0.278 542 L C -0.266 176.614 176.870 0.016 0.000 1.005 542 L CA -1.095 53.757 54.840 0.020 0.000 0.818 542 L CB 1.684 43.756 42.059 0.021 0.000 1.259 542 L HN 0.499 nan 8.230 nan 0.000 0.418 543 D N 2.961 123.370 120.400 0.015 0.000 2.383 543 D HA 0.269 4.901 4.640 -0.014 0.000 0.248 543 D C -2.324 173.983 176.300 0.011 0.000 1.170 543 D CA -1.440 52.567 54.000 0.012 0.000 0.977 543 D CB 0.839 41.646 40.800 0.011 0.000 1.120 543 D HN 0.185 nan 8.370 nan 0.000 0.481 544 P HA -0.017 nan 4.420 nan 0.000 0.262 544 P C 0.132 177.437 177.300 0.008 0.000 1.182 544 P CA 0.804 63.909 63.100 0.008 0.000 0.761 544 P CB 0.417 32.120 31.700 0.006 0.000 0.795 545 E N -0.042 120.163 120.200 0.008 0.000 3.799 545 E HA -0.277 4.064 4.350 -0.014 0.000 0.320 545 E C 0.101 176.707 176.600 0.010 0.000 0.760 545 E CA 1.307 57.712 56.400 0.008 0.000 1.153 545 E CB -1.607 28.097 29.700 0.007 0.000 1.589 545 E HN 0.670 nan 8.360 nan 0.000 0.448 546 E N 0.641 120.848 120.200 0.012 0.000 2.373 546 E HA 0.179 4.520 4.350 -0.014 0.000 0.267 546 E C -0.510 176.100 176.600 0.017 0.000 1.032 546 E CA -0.030 56.378 56.400 0.014 0.000 0.889 546 E CB 0.548 30.258 29.700 0.016 0.000 0.984 546 E HN 0.195 nan 8.360 nan 0.000 0.425 547 E N 1.421 121.632 120.200 0.018 0.000 2.187 547 E HA 0.586 4.928 4.350 -0.014 0.000 0.268 547 E C -1.336 175.280 176.600 0.027 0.000 0.896 547 E CA -0.878 55.535 56.400 0.022 0.000 0.766 547 E CB 1.989 31.700 29.700 0.018 0.000 1.142 547 E HN 0.528 nan 8.360 nan 0.000 0.408 548 A N 3.173 126.014 122.820 0.035 0.000 2.498 548 A HA 0.584 4.896 4.320 -0.014 0.000 0.298 548 A C -1.054 176.565 177.584 0.057 0.000 1.075 548 A CA -0.773 51.291 52.037 0.044 0.000 0.714 548 A CB 1.401 20.432 19.000 0.051 0.000 1.299 548 A HN 0.608 nan 8.150 nan 0.000 0.407 549 E N 1.210 121.447 120.200 0.061 0.000 2.238 549 E HA 0.379 4.721 4.350 -0.014 0.000 0.267 549 E C -1.522 175.141 176.600 0.105 0.000 0.887 549 E CA -0.696 55.748 56.400 0.074 0.000 0.769 549 E CB 2.263 31.988 29.700 0.042 0.000 1.187 549 E HN 0.634 nan 8.360 nan 0.000 0.416 550 H N 3.715 122.814 119.070 0.048 0.000 2.708 550 H HA 0.278 4.825 4.556 -0.014 0.000 0.320 550 H C -2.608 172.761 175.328 0.068 0.000 0.991 550 H CA -2.185 53.903 56.048 0.067 0.000 1.243 550 H CB 1.589 31.403 29.762 0.086 0.000 1.446 550 H HN 0.306 nan 8.280 nan 0.000 0.502 551 P HA 0.191 nan 4.420 nan 0.000 0.275 551 P C -0.327 176.975 177.300 0.005 0.000 1.227 551 P CA -0.180 62.876 63.100 -0.074 0.000 0.781 551 P CB 1.572 33.209 31.700 -0.105 0.000 0.906 552 I N 3.021 123.584 120.570 -0.011 0.000 2.411 552 I HA 0.335 4.497 4.170 -0.014 0.000 0.284 552 I C 0.458 176.406 176.117 -0.282 0.000 1.012 552 I CA -0.595 60.607 61.300 -0.164 0.000 1.119 552 I CB 1.788 39.608 38.000 -0.300 0.000 1.261 552 I HN 0.216 nan 8.210 nan 0.000 0.448 553 K N 7.975 128.208 120.400 -0.278 0.000 2.323 553 K HA 0.678 4.990 4.320 -0.014 0.000 0.259 553 K C -1.412 175.014 176.600 -0.291 0.000 0.947 553 K CA -0.509 55.662 56.287 -0.193 0.000 0.819 553 K CB 1.553 34.034 32.500 -0.033 0.000 1.109 553 K HN 0.564 nan 8.250 nan 0.000 0.429 554 I N 3.810 124.262 120.570 -0.196 0.000 2.439 554 I HA 0.125 4.286 4.170 -0.014 0.000 0.285 554 I C 0.206 176.401 176.117 0.130 0.000 1.021 554 I CA -0.742 60.523 61.300 -0.058 0.000 1.091 554 I CB 1.985 39.961 38.000 -0.039 0.000 1.242 554 I HN 0.678 nan 8.210 nan 0.000 0.439 555 S N 4.856 120.616 115.700 0.100 0.000 2.624 555 S HA 0.117 4.579 4.470 -0.014 0.000 0.263 555 S C 0.934 175.446 174.600 -0.148 0.000 1.287 555 S CA -0.176 58.054 58.200 0.051 0.000 0.990 555 S CB 0.891 64.106 63.200 0.024 0.000 0.950 555 S HN 0.636 nan 8.310 nan 0.000 0.561 556 Y N 1.498 121.578 120.300 -0.366 0.000 2.242 556 Y HA 0.047 4.588 4.550 -0.015 0.000 0.291 556 Y C 2.451 177.950 175.900 -0.668 0.000 1.137 556 Y CA 1.549 59.145 58.100 -0.839 0.000 1.181 556 Y CB -1.115 37.131 38.460 -0.356 0.000 0.989 556 Y HN 0.808 nan 8.280 nan 0.000 0.527 557 A N 0.075 122.636 122.820 -0.432 0.000 1.972 557 A HA -0.224 4.088 4.320 -0.014 0.000 0.219 557 A C 2.130 179.512 177.584 -0.338 0.000 1.169 557 A CA 1.871 53.673 52.037 -0.391 0.000 0.635 557 A CB -0.628 18.277 19.000 -0.157 0.000 0.810 557 A HN 0.664 nan 8.150 nan 0.000 0.446 558 Q N -1.826 117.833 119.800 -0.235 0.000 2.083 558 Q HA -0.142 4.190 4.340 -0.014 0.000 0.198 558 Q C 1.904 177.909 176.000 0.008 0.000 0.969 558 Q CA 1.830 57.600 55.803 -0.055 0.000 0.838 558 Q CB -0.216 28.573 28.738 0.085 0.000 0.900 558 Q HN 1.031 nan 8.270 nan 0.000 0.436 559 Y N -0.315 119.975 120.300 -0.017 0.000 2.503 559 Y HA 0.161 4.703 4.550 -0.012 0.000 0.277 559 Y C 1.734 177.582 175.900 -0.086 0.000 1.102 559 Y CA 0.557 58.670 58.100 0.021 0.000 1.261 559 Y CB -0.598 37.904 38.460 0.069 0.000 1.096 559 Y HN 0.052 nan 8.280 nan 0.000 0.546 560 E N 1.735 121.686 120.200 -0.416 0.000 2.130 560 E HA -0.290 4.052 4.350 -0.014 0.000 0.196 560 E C 2.168 178.599 176.600 -0.281 0.000 0.998 560 E CA 1.998 58.157 56.400 -0.402 0.000 0.806 560 E CB -0.499 28.476 29.700 -1.209 0.000 0.738 560 E HN 0.504 nan 8.360 nan 0.000 0.459 561 R N -0.948 119.308 120.500 -0.406 0.000 2.152 561 R HA -0.099 4.233 4.340 -0.014 0.000 0.232 561 R C 0.834 176.685 176.300 -0.748 0.000 1.117 561 R CA 1.478 57.203 56.100 -0.625 0.000 0.981 561 R CB -0.066 29.710 30.300 -0.874 0.000 0.870 561 R HN 0.414 nan 8.270 nan 0.000 0.451 562 Y N -1.000 119.252 120.300 -0.080 0.000 2.557 562 Y HA 0.197 4.738 4.550 -0.015 0.000 0.247 562 Y C -0.213 175.724 175.900 0.062 0.000 1.164 562 Y CA -0.868 57.210 58.100 -0.038 0.000 1.218 562 Y CB 0.636 39.045 38.460 -0.084 0.000 1.210 562 Y HN -0.030 nan 8.280 nan 0.000 0.529 563 L N 2.001 123.334 121.223 0.183 0.000 2.380 563 L HA 0.313 4.645 4.340 -0.014 0.000 0.273 563 L C -0.251 176.712 176.870 0.155 0.000 1.138 563 L CA -0.166 54.790 54.840 0.193 0.000 0.832 563 L CB 0.338 42.538 42.059 0.236 0.000 1.124 563 L HN -0.109 nan 8.230 nan 0.000 0.454 564 K N 1.672 122.176 120.400 0.174 0.000 2.267 564 K HA 0.350 4.661 4.320 -0.014 0.000 0.236 564 K C 1.240 177.961 176.600 0.202 0.000 1.030 564 K CA 0.222 56.618 56.287 0.182 0.000 0.930 564 K CB 1.136 33.759 32.500 0.204 0.000 1.182 564 K HN 0.674 nan 8.250 nan 0.000 0.474 565 S N -0.638 115.202 115.700 0.233 0.000 2.465 565 S HA -0.168 4.294 4.470 -0.014 0.000 0.241 565 S C 0.763 175.490 174.600 0.213 0.000 1.000 565 S CA 1.797 60.128 58.200 0.218 0.000 0.964 565 S CB -0.355 62.976 63.200 0.219 0.000 0.763 565 S HN 0.521 nan 8.310 nan 0.000 0.512 566 D N 1.828 122.373 120.400 0.242 0.000 2.269 566 D HA 0.044 4.676 4.640 -0.014 0.000 0.208 566 D C 0.377 176.791 176.300 0.189 0.000 0.963 566 D CA 0.659 54.804 54.000 0.241 0.000 0.864 566 D CB -0.615 40.366 40.800 0.301 0.000 0.936 566 D HN 0.618 nan 8.370 nan 0.000 0.505 567 N N -0.633 118.170 118.700 0.172 0.000 2.735 567 N HA -0.186 4.546 4.740 -0.014 0.000 0.248 567 N C -0.879 174.691 175.510 0.101 0.000 1.083 567 N CA 0.036 53.163 53.050 0.129 0.000 0.703 567 N CB -0.805 37.758 38.487 0.128 0.000 1.005 567 N HN 0.271 nan 8.380 nan 0.000 0.550 568 M N 0.801 120.480 119.600 0.131 0.000 2.528 568 M HA 0.578 5.050 4.480 -0.014 0.000 0.321 568 M C -0.360 176.012 176.300 0.121 0.000 1.153 568 M CA -0.524 54.854 55.300 0.130 0.000 0.951 568 M CB 2.060 34.771 32.600 0.185 0.000 1.705 568 M HN -0.008 nan 8.290 nan 0.000 0.451 569 I N 1.356 121.990 120.570 0.107 0.000 2.582 569 I HA 0.447 4.609 4.170 -0.014 0.000 0.292 569 I C -0.607 175.608 176.117 0.163 0.000 1.066 569 I CA -0.853 60.526 61.300 0.132 0.000 1.053 569 I CB 2.437 40.478 38.000 0.068 0.000 1.241 569 I HN 0.620 nan 8.210 nan 0.000 0.421 570 R N 6.346 126.981 120.500 0.224 0.000 2.198 570 R HA 0.498 4.830 4.340 -0.014 0.000 0.339 570 R C -1.122 175.334 176.300 0.260 0.000 1.020 570 R CA -0.306 55.930 56.100 0.228 0.000 0.864 570 R CB 0.405 30.843 30.300 0.231 0.000 1.105 570 R HN 0.414 nan 8.270 nan 0.000 0.463 571 I N 4.240 124.932 120.570 0.203 0.000 2.336 571 I HA 0.349 4.511 4.170 -0.014 0.000 0.292 571 I C -0.187 176.041 176.117 0.185 0.000 0.991 571 I CA -0.368 61.056 61.300 0.206 0.000 1.227 571 I CB 1.432 39.510 38.000 0.129 0.000 1.366 571 I HN 0.630 nan 8.210 nan 0.000 0.466 572 T N 4.887 119.568 114.554 0.212 0.000 2.893 572 T HA 0.754 5.096 4.350 -0.014 0.000 0.293 572 T C -0.456 174.298 174.700 0.090 0.000 1.027 572 T CA -0.644 61.516 62.100 0.101 0.000 0.988 572 T CB 2.261 71.186 68.868 0.095 0.000 1.043 572 T HN 0.694 nan 8.240 nan 0.000 0.461 573 A N 2.387 125.207 122.820 0.000 0.000 2.410 573 A HA 0.677 4.989 4.320 -0.014 0.000 0.289 573 A C -0.675 176.879 177.584 -0.050 0.000 1.200 573 A CA -0.579 51.464 52.037 0.009 0.000 0.751 573 A CB 0.815 19.833 19.000 0.031 0.000 1.161 573 A HN 0.668 nan 8.150 nan 0.000 0.459 574 V N 2.747 122.638 119.914 -0.039 0.000 2.334 574 V HA 0.262 4.373 4.120 -0.014 0.000 0.267 574 V C -0.063 176.025 176.094 -0.010 0.000 1.040 574 V CA -0.337 61.938 62.300 -0.041 0.000 0.866 574 V CB 0.265 32.076 31.823 -0.020 0.000 1.019 574 V HN 0.969 nan 8.190 nan 0.000 0.468 575 C N 4.848 124.142 119.300 -0.009 0.000 2.397 575 C HA 0.847 5.299 4.460 -0.014 0.000 0.343 575 C C 0.053 175.054 174.990 0.019 0.000 1.188 575 C CA -1.108 57.911 59.018 0.002 0.000 1.992 575 C CB 1.134 28.873 27.740 -0.001 0.000 2.358 575 C HN 0.928 nan 8.230 nan 0.000 0.518 576 K N 0.972 121.386 120.400 0.022 0.000 2.557 576 K HA 0.661 4.973 4.320 -0.014 0.000 0.261 576 K C -1.985 174.628 176.600 0.022 0.000 0.932 576 K CA -0.347 55.959 56.287 0.031 0.000 0.829 576 K CB 1.746 34.277 32.500 0.052 0.000 1.358 576 K HN 0.525 nan 8.250 nan 0.000 0.430 577 V N 4.018 123.943 119.914 0.018 0.000 2.581 577 V HA 0.450 4.562 4.120 -0.014 0.000 0.303 577 V C -2.281 173.817 176.094 0.008 0.000 1.041 577 V CA -2.281 60.026 62.300 0.012 0.000 0.907 577 V CB 1.717 33.546 31.823 0.010 0.000 0.994 577 V HN 0.773 nan 8.190 nan 0.000 0.442 578 P HA 0.061 nan 4.420 nan 0.000 0.264 578 P C 0.231 177.527 177.300 -0.007 0.000 1.183 578 P CA 0.746 63.844 63.100 -0.003 0.000 0.763 578 P CB 0.172 31.870 31.700 -0.003 0.000 0.807 579 D N 0.126 120.517 120.400 -0.015 0.000 3.079 579 D HA -0.191 4.441 4.640 -0.014 0.000 0.214 579 D C -0.615 175.676 176.300 -0.015 0.000 1.145 579 D CA 1.422 55.410 54.000 -0.019 0.000 0.958 579 D CB -1.036 39.755 40.800 -0.015 0.000 1.117 579 D HN 0.530 nan 8.370 nan 0.000 0.416 580 E N -0.539 119.657 120.200 -0.007 0.000 2.317 580 E HA 0.503 4.845 4.350 -0.014 0.000 0.270 580 E C -0.507 176.103 176.600 0.015 0.000 0.885 580 E CA -0.888 55.513 56.400 0.001 0.000 0.760 580 E CB 1.644 31.348 29.700 0.005 0.000 1.227 580 E HN 0.022 nan 8.360 nan 0.000 0.434 581 S N 1.825 117.539 115.700 0.024 0.000 2.566 581 S HA -0.006 4.456 4.470 -0.014 0.000 0.280 581 S C 0.011 174.656 174.600 0.074 0.000 1.343 581 S CA -0.153 58.084 58.200 0.062 0.000 1.036 581 S CB 0.304 63.539 63.200 0.059 0.000 0.866 581 S HN 0.349 nan 8.310 nan 0.000 0.526 582 E N 0.609 120.887 120.200 0.130 0.000 2.422 582 E HA 0.232 4.574 4.350 -0.014 0.000 0.260 582 E C -0.733 175.893 176.600 0.043 0.000 1.108 582 E CA 0.068 56.527 56.400 0.098 0.000 0.943 582 E CB 0.386 30.172 29.700 0.144 0.000 0.961 582 E HN 0.250 nan 8.360 nan 0.000 0.443 583 V N 2.656 122.578 119.914 0.014 0.000 2.407 583 V HA 0.229 4.341 4.120 -0.014 0.000 0.291 583 V C -0.731 175.337 176.094 -0.044 0.000 1.018 583 V CA -0.811 61.481 62.300 -0.013 0.000 0.842 583 V CB 1.622 33.441 31.823 -0.007 0.000 0.996 583 V HN 0.373 nan 8.190 nan 0.000 0.426 584 V N 6.120 125.986 119.914 -0.080 0.000 2.383 584 V HA 0.435 4.546 4.120 -0.014 0.000 0.275 584 V C -0.038 175.977 176.094 -0.133 0.000 1.036 584 V CA -0.507 61.699 62.300 -0.157 0.000 0.889 584 V CB 1.668 33.340 31.823 -0.251 0.000 0.985 584 V HN 0.587 nan 8.190 nan 0.000 0.459 585 V N 5.257 125.098 119.914 -0.122 0.000 2.384 585 V HA 0.492 4.604 4.120 -0.014 0.000 0.287 585 V C -0.104 175.945 176.094 -0.075 0.000 1.020 585 V CA -0.589 61.672 62.300 -0.066 0.000 0.850 585 V CB 1.460 33.270 31.823 -0.022 0.000 0.987 585 V HN 0.962 nan 8.190 nan 0.000 0.436 586 E N 3.756 123.933 120.200 -0.038 0.000 2.256 586 E HA 0.870 5.212 4.350 -0.014 0.000 0.267 586 E C -0.813 175.820 176.600 0.055 0.000 0.892 586 E CA -1.143 55.261 56.400 0.007 0.000 0.775 586 E CB 2.747 32.465 29.700 0.031 0.000 1.207 586 E HN 0.457 nan 8.360 nan 0.000 0.420 587 R N 1.731 122.283 120.500 0.086 0.000 2.678 587 R HA 0.219 4.551 4.340 -0.014 0.000 0.267 587 R C -2.225 174.142 176.300 0.111 0.000 1.173 587 R CA -0.395 55.759 56.100 0.090 0.000 1.061 587 R CB 0.714 31.054 30.300 0.067 0.000 1.262 587 R HN 0.405 nan 8.270 nan 0.000 0.427 588 D N 4.979 125.453 120.400 0.123 0.000 2.232 588 D HA 0.383 5.015 4.640 -0.014 0.000 0.242 588 D C 0.198 176.566 176.300 0.113 0.000 1.093 588 D CA -0.140 53.941 54.000 0.136 0.000 0.845 588 D CB 1.094 41.992 40.800 0.164 0.000 1.124 588 D HN 0.536 nan 8.370 nan 0.000 0.467 589 I N -1.358 119.269 120.570 0.095 0.000 2.707 589 I HA 0.611 4.773 4.170 -0.014 0.000 0.309 589 I C -0.516 175.643 176.117 0.070 0.000 1.001 589 I CA -0.984 60.356 61.300 0.066 0.000 1.129 589 I CB 1.810 39.828 38.000 0.031 0.000 1.308 589 I HN 0.087 nan 8.210 nan 0.000 0.466 590 I N 4.246 124.850 120.570 0.055 0.000 2.447 590 I HA 0.326 4.488 4.170 -0.014 0.000 0.287 590 I C -1.083 175.053 176.117 0.031 0.000 1.023 590 I CA -0.675 60.661 61.300 0.060 0.000 1.083 590 I CB 1.975 40.021 38.000 0.076 0.000 1.245 590 I HN 0.387 nan 8.210 nan 0.000 0.434 591 L N 6.095 127.333 121.223 0.025 0.000 2.275 591 L HA 0.334 4.666 4.340 -0.014 0.000 0.288 591 L C 0.079 176.984 176.870 0.058 0.000 1.046 591 L CA -0.187 54.666 54.840 0.022 0.000 0.805 591 L CB 0.440 42.490 42.059 -0.016 0.000 1.193 591 L HN 0.424 nan 8.230 nan 0.000 0.426 592 D N 2.182 122.612 120.400 0.050 0.000 2.372 592 D HA 0.082 4.714 4.640 -0.014 0.000 0.243 592 D C 0.062 176.409 176.300 0.078 0.000 1.121 592 D CA -0.030 53.999 54.000 0.048 0.000 0.898 592 D CB 0.756 41.568 40.800 0.020 0.000 1.202 592 D HN 0.383 nan 8.370 nan 0.000 0.428 593 N N 1.612 120.356 118.700 0.073 0.000 2.483 593 N HA 0.223 4.955 4.740 -0.014 0.000 0.269 593 N C -2.187 173.319 175.510 -0.006 0.000 1.209 593 N CA -0.927 52.171 53.050 0.080 0.000 0.969 593 N CB 0.479 39.016 38.487 0.083 0.000 1.173 593 N HN 0.183 nan 8.380 nan 0.000 0.475 594 P HA 0.016 nan 4.420 nan 0.000 0.269 594 P C -0.388 176.874 177.300 -0.063 0.000 1.215 594 P CA 0.052 63.058 63.100 -0.157 0.000 0.780 594 P CB 0.183 31.665 31.700 -0.362 0.000 0.898 595 T N 2.073 116.568 114.554 -0.097 0.000 2.940 595 T HA 0.207 4.549 4.350 -0.014 0.000 0.309 595 T C 0.188 174.898 174.700 0.018 0.000 1.056 595 T CA 0.326 62.395 62.100 -0.051 0.000 1.137 595 T CB -0.033 68.786 68.868 -0.082 0.000 0.976 595 T HN 0.293 nan 8.240 nan 0.000 0.547 596 L N 3.153 124.399 121.223 0.039 0.000 2.409 596 L HA 0.581 4.913 4.340 -0.014 0.000 0.272 596 L C -0.509 176.364 176.870 0.005 0.000 0.980 596 L CA -0.062 54.812 54.840 0.056 0.000 0.826 596 L CB 2.083 44.167 42.059 0.042 0.000 1.268 596 L HN 0.692 nan 8.230 nan 0.000 0.407 597 T N 5.265 119.814 114.554 -0.008 0.000 2.893 597 T HA 0.698 5.040 4.350 -0.014 0.000 0.291 597 T C -0.764 173.935 174.700 -0.001 0.000 1.028 597 T CA -0.531 61.561 62.100 -0.014 0.000 0.995 597 T CB 1.634 70.483 68.868 -0.032 0.000 1.051 597 T HN 0.454 nan 8.240 nan 0.000 0.470 598 L N 2.093 123.317 121.223 0.002 0.000 2.365 598 L HA 0.627 4.959 4.340 -0.014 0.000 0.273 598 L C -0.399 176.460 176.870 -0.019 0.000 1.000 598 L CA -0.761 54.088 54.840 0.015 0.000 0.819 598 L CB 1.994 44.084 42.059 0.051 0.000 1.284 598 L HN 0.663 nan 8.230 nan 0.000 0.418 599 E N 2.284 122.454 120.200 -0.049 0.000 2.278 599 E HA 0.354 4.696 4.350 -0.014 0.000 0.272 599 E C -1.088 175.454 176.600 -0.097 0.000 0.890 599 E CA -0.811 55.551 56.400 -0.063 0.000 0.770 599 E CB 2.921 32.584 29.700 -0.061 0.000 1.212 599 E HN 0.360 nan 8.360 nan 0.000 0.415 600 V N 1.212 121.079 119.914 -0.079 0.000 2.530 600 V HA 0.268 4.380 4.120 -0.014 0.000 0.282 600 V C 0.490 176.535 176.094 -0.082 0.000 1.048 600 V CA -0.433 61.811 62.300 -0.093 0.000 0.997 600 V CB 0.420 32.206 31.823 -0.061 0.000 0.987 600 V HN 0.763 nan 8.190 nan 0.000 0.477 601 L N 4.948 126.114 121.223 -0.096 0.000 2.688 601 L HA 0.393 4.725 4.340 -0.014 0.000 0.234 601 L C 0.459 177.295 176.870 -0.057 0.000 1.192 601 L CA -0.024 54.770 54.840 -0.076 0.000 0.984 601 L CB -1.103 40.905 42.059 -0.086 0.000 1.232 601 L HN 1.052 nan 8.230 nan 0.000 0.465 602 N N -1.596 117.074 118.700 -0.050 0.000 3.465 602 N HA 0.038 4.770 4.740 -0.014 0.000 0.244 602 N C -1.091 174.400 175.510 -0.031 0.000 1.454 602 N CA -0.782 52.245 53.050 -0.037 0.000 0.865 602 N CB 1.226 39.692 38.487 -0.035 0.000 1.439 602 N HN -0.075 nan 8.380 nan 0.000 0.480 603 E N -0.200 119.986 120.200 -0.023 0.000 2.398 603 E HA 0.462 4.804 4.350 -0.014 0.000 0.263 603 E C -0.622 175.969 176.600 -0.015 0.000 1.046 603 E CA -0.416 55.974 56.400 -0.017 0.000 0.908 603 E CB 0.637 30.329 29.700 -0.013 0.000 0.963 603 E HN 0.606 nan 8.360 nan 0.000 0.431 604 A N 5.025 127.838 122.820 -0.011 0.000 2.260 604 A HA 0.516 4.828 4.320 -0.014 0.000 0.314 604 A C -0.631 176.952 177.584 -0.002 0.000 1.257 604 A CA -0.502 51.531 52.037 -0.007 0.000 0.871 604 A CB 0.650 19.647 19.000 -0.005 0.000 1.166 604 A HN 0.643 nan 8.150 nan 0.000 0.522 605 R N 1.752 122.252 120.500 -0.000 0.000 2.651 605 R HA 0.454 4.786 4.340 -0.014 0.000 0.278 605 R C -1.070 175.234 176.300 0.006 0.000 1.010 605 R CA -0.953 55.149 56.100 0.003 0.000 0.896 605 R CB 2.121 32.421 30.300 0.001 0.000 1.211 605 R HN 0.504 nan 8.270 nan 0.000 0.456 606 V N 3.496 123.414 119.914 0.007 0.000 2.752 606 V HA -0.156 3.956 4.120 -0.014 0.000 0.306 606 V C 1.293 177.393 176.094 0.011 0.000 1.099 606 V CA 0.823 63.129 62.300 0.010 0.000 1.240 606 V CB -0.060 31.768 31.823 0.009 0.000 0.887 606 V HN 0.857 nan 8.190 nan 0.000 0.499 607 R N 0.234 120.742 120.500 0.013 0.000 4.000 607 R HA -0.165 4.167 4.340 -0.014 0.000 0.348 607 R C -0.182 176.125 176.300 0.012 0.000 1.204 607 R CA 1.012 57.121 56.100 0.014 0.000 0.987 607 R CB -0.640 29.668 30.300 0.014 0.000 1.446 607 R HN 0.617 nan 8.270 nan 0.000 0.555 608 K N 0.497 120.903 120.400 0.010 0.000 2.358 608 K HA 0.376 4.688 4.320 -0.014 0.000 0.260 608 K C -2.492 174.113 176.600 0.007 0.000 0.956 608 K CA -2.429 53.862 56.287 0.007 0.000 0.834 608 K CB 1.658 34.160 32.500 0.004 0.000 1.102 608 K HN -0.192 nan 8.250 nan 0.000 0.431 609 P HA 0.011 nan 4.420 nan 0.000 0.266 609 P C -0.708 176.590 177.300 -0.004 0.000 1.195 609 P CA -0.290 62.815 63.100 0.008 0.000 0.768 609 P CB 0.657 32.362 31.700 0.009 0.000 0.838 610 V N 3.559 123.467 119.914 -0.010 0.000 2.668 610 V HA 0.321 4.433 4.120 -0.014 0.000 0.304 610 V C -0.688 175.366 176.094 -0.067 0.000 1.071 610 V CA -0.845 61.435 62.300 -0.033 0.000 0.894 610 V CB 1.508 33.314 31.823 -0.029 0.000 1.008 610 V HN 0.517 nan 8.190 nan 0.000 0.425 611 N N 4.289 122.934 118.700 -0.091 0.000 2.530 611 N HA 0.502 5.234 4.740 -0.014 0.000 0.273 611 N C -0.873 174.486 175.510 -0.252 0.000 1.173 611 N CA -0.155 52.802 53.050 -0.156 0.000 0.967 611 N CB 1.544 39.959 38.487 -0.120 0.000 1.109 611 N HN 0.560 nan 8.380 nan 0.000 0.453 612 V N 1.878 121.500 119.914 -0.487 0.000 2.960 612 V HA 0.371 4.483 4.120 -0.014 0.000 0.315 612 V C -0.485 175.216 176.094 -0.654 0.000 1.087 612 V CA -0.769 61.147 62.300 -0.641 0.000 0.982 612 V CB 1.916 33.141 31.823 -0.998 0.000 1.039 612 V HN 0.692 nan 8.190 nan 0.000 0.437 613 Q N 2.435 121.996 119.800 -0.400 0.000 2.304 613 Q HA 0.576 4.908 4.340 -0.014 0.000 0.270 613 Q C -1.299 174.656 176.000 -0.075 0.000 1.035 613 Q CA -0.485 55.193 55.803 -0.209 0.000 0.781 613 Q CB 1.988 30.646 28.738 -0.134 0.000 1.261 613 Q HN 0.811 nan 8.270 nan 0.000 0.444 614 M N 6.195 125.811 119.600 0.027 0.000 2.129 614 M HA 0.436 4.908 4.480 -0.014 0.000 0.348 614 M C -2.001 174.302 176.300 0.006 0.000 1.116 614 M CA -0.587 54.758 55.300 0.074 0.000 1.022 614 M CB 0.597 33.296 32.600 0.166 0.000 1.599 614 M HN 0.700 nan 8.290 nan 0.000 0.449 615 L N 6.106 127.318 121.223 -0.018 0.000 2.341 615 L HA 0.680 5.011 4.340 -0.014 0.000 0.278 615 L C -1.255 175.600 176.870 -0.024 0.000 1.005 615 L CA -0.666 54.153 54.840 -0.036 0.000 0.818 615 L CB 1.935 43.964 42.059 -0.050 0.000 1.259 615 L HN 0.722 nan 8.230 nan 0.000 0.418 616 F N 1.351 121.157 119.950 -0.240 0.000 2.622 616 F HA 0.507 5.026 4.527 -0.013 0.000 0.318 616 F C -1.006 174.661 175.800 -0.221 0.000 1.135 616 F CA -0.219 57.594 58.000 -0.311 0.000 1.015 616 F CB 2.084 40.722 39.000 -0.602 0.000 1.275 616 F HN 0.321 nan 8.300 nan 0.000 0.457 617 S N 4.026 119.052 115.700 -1.123 0.000 2.473 617 S HA 0.317 4.779 4.470 -0.014 0.000 0.307 617 S C -1.026 172.915 174.600 -1.097 0.000 1.094 617 S CA -0.691 57.034 58.200 -0.791 0.000 1.070 617 S CB 1.231 64.158 63.200 -0.454 0.000 1.019 617 S HN 0.626 nan 8.310 nan 0.000 0.480 618 N N 3.958 122.372 118.700 -0.476 0.000 2.401 618 N HA 0.255 4.987 4.740 -0.014 0.000 0.255 618 N C -1.460 173.985 175.510 -0.109 0.000 1.110 618 N CA -2.005 50.960 53.050 -0.141 0.000 0.949 618 N CB 1.025 39.613 38.487 0.169 0.000 1.110 618 N HN 0.242 nan 8.380 nan 0.000 0.490 619 P HA 0.006 nan 4.420 nan 0.000 0.235 619 P C 0.228 177.523 177.300 -0.010 0.000 1.177 619 P CA 0.408 63.469 63.100 -0.064 0.000 0.785 619 P CB 0.546 32.197 31.700 -0.082 0.000 0.885 620 L N 0.533 121.798 121.223 0.070 0.000 2.472 620 L HA 0.137 4.469 4.340 -0.014 0.000 0.260 620 L C 1.429 178.309 176.870 0.017 0.000 1.209 620 L CA -0.061 54.788 54.840 0.015 0.000 0.817 620 L CB 0.043 42.146 42.059 0.072 0.000 1.106 620 L HN -0.225 nan 8.230 nan 0.000 0.479 621 D N -0.090 120.314 120.400 0.007 0.000 2.340 621 D HA 0.010 4.642 4.640 -0.014 0.000 0.220 621 D C 0.303 176.624 176.300 0.035 0.000 1.039 621 D CA 0.408 54.419 54.000 0.018 0.000 0.866 621 D CB 0.349 41.159 40.800 0.017 0.000 0.913 621 D HN 0.613 nan 8.370 nan 0.000 0.523 622 E N 0.587 120.818 120.200 0.052 0.000 2.299 622 E HA 0.479 4.821 4.350 -0.014 0.000 0.265 622 E C -2.866 173.780 176.600 0.076 0.000 0.911 622 E CA -2.159 54.274 56.400 0.056 0.000 0.789 622 E CB 2.361 32.093 29.700 0.054 0.000 1.246 622 E HN -0.238 nan 8.360 nan 0.000 0.427 623 P HA 0.027 nan 4.420 nan 0.000 0.272 623 P C -0.541 176.826 177.300 0.112 0.000 1.240 623 P CA -0.451 62.703 63.100 0.091 0.000 0.791 623 P CB 0.911 32.650 31.700 0.066 0.000 0.978 624 V N 2.867 122.874 119.914 0.155 0.000 2.409 624 V HA 0.317 4.429 4.120 -0.014 0.000 0.291 624 V C 0.714 176.882 176.094 0.122 0.000 1.020 624 V CA -0.486 61.919 62.300 0.174 0.000 0.848 624 V CB 1.261 33.285 31.823 0.335 0.000 0.990 624 V HN 0.546 nan 8.190 nan 0.000 0.430 625 R N 2.715 123.252 120.500 0.061 0.000 2.843 625 R HA 0.520 4.852 4.340 -0.014 0.000 0.232 625 R C -0.390 175.897 176.300 -0.022 0.000 1.305 625 R CA -0.926 55.189 56.100 0.025 0.000 1.096 625 R CB 0.539 30.845 30.300 0.010 0.000 1.455 625 R HN 0.669 nan 8.270 nan 0.000 0.520 626 D N 0.026 120.405 120.400 -0.036 0.000 2.686 626 D HA -0.154 4.478 4.640 -0.014 0.000 0.235 626 D C -0.736 175.478 176.300 -0.144 0.000 1.160 626 D CA 0.628 54.584 54.000 -0.074 0.000 0.645 626 D CB -1.532 39.224 40.800 -0.073 0.000 1.039 626 D HN 0.386 nan 8.370 nan 0.000 0.423 627 C N 0.718 119.934 119.300 -0.141 0.000 2.482 627 C HA 0.451 4.903 4.460 -0.014 0.000 0.378 627 C C 0.981 175.805 174.990 -0.276 0.000 1.284 627 C CA -0.762 58.075 59.018 -0.300 0.000 1.826 627 C CB 0.500 28.185 27.740 -0.091 0.000 2.473 627 C HN 0.166 nan 8.230 nan 0.000 0.562 628 V N 5.651 125.305 119.914 -0.434 0.000 2.588 628 V HA 0.459 4.571 4.120 -0.014 0.000 0.304 628 V C -0.245 175.687 176.094 -0.270 0.000 1.042 628 V CA -0.468 61.671 62.300 -0.268 0.000 0.877 628 V CB 1.737 33.426 31.823 -0.223 0.000 0.996 628 V HN 0.774 nan 8.190 nan 0.000 0.425 629 L N 5.841 127.008 121.223 -0.092 0.000 2.307 629 L HA 0.691 5.023 4.340 -0.014 0.000 0.284 629 L C -0.903 175.907 176.870 -0.101 0.000 1.023 629 L CA -0.408 54.428 54.840 -0.006 0.000 0.810 629 L CB 1.619 43.731 42.059 0.088 0.000 1.231 629 L HN 0.686 nan 8.230 nan 0.000 0.423 630 M N 5.354 124.887 119.600 -0.111 0.000 2.259 630 M HA 0.511 4.983 4.480 -0.014 0.000 0.304 630 M C -1.202 175.004 176.300 -0.156 0.000 1.019 630 M CA -0.642 54.571 55.300 -0.145 0.000 0.922 630 M CB 2.301 34.817 32.600 -0.139 0.000 1.600 630 M HN 0.240 nan 8.290 nan 0.000 0.433 631 V N 2.353 122.141 119.914 -0.210 0.000 2.789 631 V HA 0.719 4.831 4.120 -0.014 0.000 0.311 631 V C -0.669 175.332 176.094 -0.154 0.000 1.073 631 V CA -0.603 61.572 62.300 -0.210 0.000 0.921 631 V CB 2.209 33.791 31.823 -0.402 0.000 1.009 631 V HN 0.962 nan 8.190 nan 0.000 0.426 632 E N 1.979 122.115 120.200 -0.107 0.000 2.429 632 E HA 0.806 5.148 4.350 -0.014 0.000 0.280 632 E C -0.660 175.902 176.600 -0.062 0.000 1.068 632 E CA -0.975 55.375 56.400 -0.082 0.000 0.837 632 E CB 2.361 32.002 29.700 -0.099 0.000 1.357 632 E HN 1.175 nan 8.360 nan 0.000 0.455 633 G N 0.624 109.397 108.800 -0.044 0.000 1.959 633 G HA2 0.278 4.230 3.960 -0.014 0.000 0.289 633 G HA3 0.278 4.230 3.960 -0.014 0.000 0.289 633 G C -0.990 173.910 174.900 0.001 0.000 1.705 633 G CA -0.695 44.387 45.100 -0.029 0.000 0.913 633 G HN 0.387 nan 8.290 nan 0.000 0.686 634 S N 0.324 116.031 115.700 0.010 0.000 2.525 634 S HA 0.442 4.903 4.470 -0.014 0.000 0.285 634 S C 1.624 176.260 174.600 0.059 0.000 1.283 634 S CA 1.615 59.846 58.200 0.052 0.000 1.072 634 S CB 1.068 64.323 63.200 0.092 0.000 0.867 634 S HN 2.366 nan 8.310 nan 0.000 0.492 635 G N 2.195 111.030 108.800 0.060 0.000 2.199 635 G HA2 -0.228 3.724 3.960 -0.014 0.000 0.254 635 G HA3 -0.228 3.724 3.960 -0.014 0.000 0.254 635 G C 0.498 175.421 174.900 0.038 0.000 0.982 635 G CA 0.400 45.529 45.100 0.048 0.000 0.632 635 G HN 0.598 nan 8.290 nan 0.000 0.529 636 L N -1.611 119.634 121.223 0.038 0.000 2.547 636 L HA 0.638 4.970 4.340 -0.014 0.000 0.218 636 L C 0.504 177.401 176.870 0.046 0.000 1.048 636 L CA 0.199 55.063 54.840 0.041 0.000 0.859 636 L CB 0.502 42.586 42.059 0.043 0.000 1.128 636 L HN 0.197 nan 8.230 nan 0.000 0.483 637 L N -0.015 121.231 121.223 0.038 0.000 2.466 637 L HA 0.462 4.794 4.340 -0.014 0.000 0.258 637 L C -1.299 175.586 176.870 0.025 0.000 0.973 637 L CA -0.355 54.505 54.840 0.034 0.000 0.826 637 L CB 2.229 44.303 42.059 0.025 0.000 1.372 637 L HN -0.254 nan 8.230 nan 0.000 0.409 638 L N 4.364 125.602 121.223 0.025 0.000 2.283 638 L HA 0.638 4.970 4.340 -0.014 0.000 0.287 638 L C 0.975 177.853 176.870 0.012 0.000 1.073 638 L CA 0.831 55.686 54.840 0.025 0.000 0.822 638 L CB -0.377 41.700 42.059 0.029 0.000 1.186 638 L HN 0.862 nan 8.230 nan 0.000 0.436 639 G N 4.651 113.457 108.800 0.010 0.000 2.593 639 G HA2 -0.265 3.687 3.960 -0.014 0.000 0.237 639 G HA3 -0.265 3.687 3.960 -0.014 0.000 0.237 639 G C -0.129 174.756 174.900 -0.024 0.000 1.312 639 G CA -0.292 44.807 45.100 -0.001 0.000 0.896 639 G HN 0.684 nan 8.290 nan 0.000 0.574 640 N N -0.235 118.446 118.700 -0.031 0.000 2.400 640 N HA 0.519 5.250 4.740 -0.014 0.000 0.288 640 N C -0.377 175.088 175.510 -0.075 0.000 1.024 640 N CA -0.709 52.307 53.050 -0.057 0.000 0.894 640 N CB 0.870 39.330 38.487 -0.045 0.000 1.173 640 N HN 0.560 nan 8.380 nan 0.000 0.487 641 L N 3.796 124.947 121.223 -0.120 0.000 2.257 641 L HA 0.326 4.658 4.340 -0.014 0.000 0.290 641 L C -0.374 176.397 176.870 -0.166 0.000 1.044 641 L CA -0.501 54.249 54.840 -0.150 0.000 0.810 641 L CB 0.653 42.570 42.059 -0.236 0.000 1.193 641 L HN 0.556 nan 8.230 nan 0.000 0.425 642 K N 6.472 126.799 120.400 -0.121 0.000 2.265 642 K HA 0.556 4.868 4.320 -0.014 0.000 0.267 642 K C -1.311 175.230 176.600 -0.097 0.000 0.994 642 K CA -0.514 55.705 56.287 -0.113 0.000 0.860 642 K CB 1.179 33.624 32.500 -0.090 0.000 1.099 642 K HN 0.595 nan 8.250 nan 0.000 0.448 643 I N 3.809 124.322 120.570 -0.096 0.000 2.447 643 I HA 0.167 4.329 4.170 -0.014 0.000 0.287 643 I C -0.620 175.479 176.117 -0.031 0.000 1.023 643 I CA -0.978 60.290 61.300 -0.053 0.000 1.083 643 I CB 1.841 39.814 38.000 -0.045 0.000 1.245 643 I HN 0.561 nan 8.210 nan 0.000 0.434 644 D N 6.106 126.493 120.400 -0.021 0.000 2.351 644 D HA 0.269 4.901 4.640 -0.014 0.000 0.251 644 D C -0.412 175.900 176.300 0.020 0.000 1.137 644 D CA 0.110 54.099 54.000 -0.019 0.000 0.879 644 D CB 2.314 43.102 40.800 -0.020 0.000 1.181 644 D HN 0.048 nan 8.370 nan 0.000 0.448 645 V N 4.974 124.909 119.914 0.036 0.000 2.448 645 V HA 0.289 4.401 4.120 -0.014 0.000 0.295 645 V C -1.872 174.269 176.094 0.077 0.000 1.025 645 V CA -1.542 60.815 62.300 0.094 0.000 0.859 645 V CB 1.884 33.835 31.823 0.213 0.000 0.988 645 V HN 0.458 nan 8.190 nan 0.000 0.431 646 P HA 0.051 nan 4.420 nan 0.000 0.269 646 P C 0.081 177.431 177.300 0.083 0.000 1.217 646 P CA -0.053 63.084 63.100 0.063 0.000 0.783 646 P CB 0.314 32.047 31.700 0.055 0.000 0.898 647 T N 1.704 116.298 114.554 0.066 0.000 2.905 647 T HA 0.042 4.384 4.350 -0.014 0.000 0.299 647 T C 0.250 175.011 174.700 0.102 0.000 1.024 647 T CA 0.524 62.672 62.100 0.079 0.000 1.151 647 T CB -0.330 68.571 68.868 0.055 0.000 0.987 647 T HN 0.239 nan 8.240 nan 0.000 0.535 648 L N 4.451 125.759 121.223 0.141 0.000 2.298 648 L HA 0.627 4.959 4.340 -0.014 0.000 0.284 648 L C 0.649 177.599 176.870 0.132 0.000 1.013 648 L CA -0.097 54.835 54.840 0.153 0.000 0.824 648 L CB 0.811 43.013 42.059 0.240 0.000 1.221 648 L HN 0.717 nan 8.230 nan 0.000 0.418 649 G N 4.712 113.566 108.800 0.090 0.000 2.684 649 G HA2 0.334 4.286 3.960 -0.014 0.000 0.255 649 G HA3 0.334 4.286 3.960 -0.014 0.000 0.255 649 G C -2.623 172.319 174.900 0.070 0.000 1.219 649 G CA -1.134 44.009 45.100 0.071 0.000 0.901 649 G HN 0.539 nan 8.290 nan 0.000 0.548 650 P HA 0.076 nan 4.420 nan 0.000 0.262 650 P C 0.028 177.338 177.300 0.016 0.000 1.182 650 P CA 0.243 63.368 63.100 0.042 0.000 0.761 650 P CB 0.572 32.290 31.700 0.030 0.000 0.795 651 K N -0.557 119.841 120.400 -0.002 0.000 3.529 651 K HA -0.228 4.084 4.320 -0.014 0.000 0.313 651 K C 0.112 176.686 176.600 -0.044 0.000 1.316 651 K CA 1.136 57.401 56.287 -0.037 0.000 0.988 651 K CB -1.895 30.587 32.500 -0.030 0.000 1.252 651 K HN 0.618 nan 8.250 nan 0.000 0.438 652 E N 0.679 120.870 120.200 -0.015 0.000 2.349 652 E HA 0.272 4.614 4.350 -0.014 0.000 0.262 652 E C 0.296 176.875 176.600 -0.035 0.000 1.088 652 E CA -0.514 55.880 56.400 -0.010 0.000 0.899 652 E CB 0.930 30.646 29.700 0.028 0.000 1.044 652 E HN 0.175 nan 8.360 nan 0.000 0.420 653 R N 0.760 121.241 120.500 -0.032 0.000 2.589 653 R HA 0.315 4.647 4.340 -0.014 0.000 0.293 653 R C -1.149 175.155 176.300 0.007 0.000 0.963 653 R CA -0.419 55.651 56.100 -0.050 0.000 0.905 653 R CB 1.642 31.900 30.300 -0.070 0.000 1.144 653 R HN 0.373 nan 8.270 nan 0.000 0.459 654 S N 3.155 118.873 115.700 0.031 0.000 2.474 654 S HA 0.338 4.800 4.470 -0.014 0.000 0.321 654 S C -0.785 173.827 174.600 0.020 0.000 1.080 654 S CA -0.810 57.423 58.200 0.055 0.000 1.106 654 S CB 0.580 63.839 63.200 0.099 0.000 0.984 654 S HN 0.646 nan 8.310 nan 0.000 0.464 655 R N 4.578 125.091 120.500 0.022 0.000 2.246 655 R HA 0.592 4.924 4.340 -0.014 0.000 0.332 655 R C -1.534 174.787 176.300 0.035 0.000 0.974 655 R CA -0.390 55.717 56.100 0.013 0.000 0.837 655 R CB 0.892 31.192 30.300 -0.001 0.000 1.145 655 R HN 0.507 nan 8.270 nan 0.000 0.467 656 V N 5.077 125.023 119.914 0.053 0.000 2.555 656 V HA 0.538 4.650 4.120 -0.014 0.000 0.302 656 V C 0.004 176.160 176.094 0.103 0.000 1.038 656 V CA -0.757 61.604 62.300 0.102 0.000 0.887 656 V CB 1.946 33.862 31.823 0.155 0.000 0.991 656 V HN 0.738 nan 8.190 nan 0.000 0.434 657 R N 3.540 124.100 120.500 0.099 0.000 2.740 657 R HA 0.834 5.166 4.340 -0.014 0.000 0.282 657 R C -1.505 174.872 176.300 0.129 0.000 0.969 657 R CA -0.516 55.585 56.100 0.002 0.000 0.918 657 R CB 2.444 32.721 30.300 -0.038 0.000 1.175 657 R HN 0.719 nan 8.270 nan 0.000 0.464 658 F N -1.583 118.367 119.950 -0.000 0.000 2.725 658 F HA 0.425 4.944 4.527 -0.013 0.000 0.309 658 F C -1.682 174.117 175.800 -0.002 0.000 1.132 658 F CA -1.361 56.639 58.000 0.000 0.000 0.957 658 F CB 1.115 40.116 39.000 0.002 0.000 1.286 658 F HN 0.224 nan 8.300 nan 0.000 0.440 659 D N 2.670 123.185 120.400 0.192 0.000 2.181 659 D HA 0.678 5.310 4.640 -0.014 0.000 0.248 659 D C -0.224 176.201 176.300 0.209 0.000 1.020 659 D CA -0.070 53.989 54.000 0.097 0.000 0.891 659 D CB 2.136 42.970 40.800 0.057 0.000 1.187 659 D HN 0.817 nan 8.370 nan 0.000 0.443 660 I N -1.867 118.779 120.570 0.127 0.000 2.785 660 I HA 0.609 4.771 4.170 -0.014 0.000 0.302 660 I C -1.317 174.840 176.117 0.067 0.000 1.069 660 I CA -1.226 60.154 61.300 0.132 0.000 1.045 660 I CB 2.094 40.185 38.000 0.152 0.000 1.236 660 I HN 0.059 nan 8.210 nan 0.000 0.429 661 L N 5.637 126.894 121.223 0.058 0.000 2.433 661 L HA 0.640 4.972 4.340 -0.014 0.000 0.256 661 L C -2.569 174.322 176.870 0.034 0.000 1.063 661 L CA -1.768 53.096 54.840 0.039 0.000 0.922 661 L CB 0.761 42.842 42.059 0.036 0.000 1.238 661 L HN 0.404 nan 8.230 nan 0.000 0.466 662 P HA 0.068 nan 4.420 nan 0.000 0.260 662 P C 0.056 177.369 177.300 0.023 0.000 1.172 662 P CA 0.503 63.618 63.100 0.025 0.000 0.760 662 P CB 0.626 32.337 31.700 0.018 0.000 0.773 663 S N 2.592 118.307 115.700 0.024 0.000 2.632 663 S HA 0.179 4.641 4.470 -0.014 0.000 0.237 663 S C 0.504 175.113 174.600 0.015 0.000 1.037 663 S CA -0.364 57.849 58.200 0.022 0.000 1.009 663 S CB 0.343 63.560 63.200 0.028 0.000 0.974 663 S HN 0.444 nan 8.310 nan 0.000 0.544 664 R N 2.125 122.633 120.500 0.014 0.000 2.515 664 R HA 0.464 4.796 4.340 -0.014 0.000 0.291 664 R C -0.799 175.504 176.300 0.006 0.000 1.046 664 R CA -0.139 55.963 56.100 0.004 0.000 0.914 664 R CB 1.650 31.948 30.300 -0.003 0.000 1.191 664 R HN 0.285 nan 8.270 nan 0.000 0.435 665 S N 2.221 117.922 115.700 0.003 0.000 2.584 665 S HA 0.768 5.229 4.470 -0.014 0.000 0.270 665 S C 0.593 175.197 174.600 0.007 0.000 1.346 665 S CA 0.419 58.622 58.200 0.005 0.000 1.018 665 S CB 1.427 64.630 63.200 0.005 0.000 0.899 665 S HN 1.176 nan 8.310 nan 0.000 0.542 666 G N -0.160 108.645 108.800 0.009 0.000 2.343 666 G HA2 0.164 4.116 3.960 -0.014 0.000 0.562 666 G HA3 0.164 4.116 3.960 -0.014 0.000 0.562 666 G C -0.405 174.503 174.900 0.013 0.000 1.269 666 G CA -0.404 44.703 45.100 0.012 0.000 1.011 666 G HN 1.221 nan 8.290 nan 0.000 0.498 667 T N 1.287 115.850 114.554 0.015 0.000 2.727 667 T HA 0.546 4.887 4.350 -0.014 0.000 0.295 667 T C 0.135 174.846 174.700 0.019 0.000 0.915 667 T CA 0.045 62.153 62.100 0.014 0.000 1.066 667 T CB -0.087 68.788 68.868 0.012 0.000 0.891 667 T HN 0.547 nan 8.240 nan 0.000 0.516 668 K N 3.851 124.260 120.400 0.016 0.000 2.258 668 K HA 0.436 4.748 4.320 -0.014 0.000 0.236 668 K C -0.423 176.183 176.600 0.009 0.000 1.008 668 K CA -0.846 55.452 56.287 0.019 0.000 0.869 668 K CB 1.433 33.946 32.500 0.021 0.000 1.171 668 K HN 0.674 nan 8.250 nan 0.000 0.447 669 Q N 1.455 121.258 119.800 0.004 0.000 2.290 669 Q HA 0.338 4.670 4.340 -0.014 0.000 0.269 669 Q C -1.616 174.375 176.000 -0.015 0.000 1.016 669 Q CA -0.817 54.979 55.803 -0.012 0.000 0.754 669 Q CB 1.387 30.107 28.738 -0.030 0.000 1.247 669 Q HN 0.403 nan 8.270 nan 0.000 0.451 670 L N 5.322 126.542 121.223 -0.004 0.000 2.275 670 L HA 0.555 4.887 4.340 -0.014 0.000 0.288 670 L C -1.646 175.218 176.870 -0.009 0.000 1.046 670 L CA -0.129 54.716 54.840 0.009 0.000 0.805 670 L CB 1.092 43.182 42.059 0.051 0.000 1.193 670 L HN 0.672 nan 8.230 nan 0.000 0.426 671 L N 4.808 126.012 121.223 -0.032 0.000 2.341 671 L HA 0.971 5.303 4.340 -0.014 0.000 0.267 671 L C -0.514 176.329 176.870 -0.045 0.000 1.009 671 L CA -0.784 54.026 54.840 -0.050 0.000 0.819 671 L CB 1.903 43.902 42.059 -0.100 0.000 1.323 671 L HN 0.764 nan 8.230 nan 0.000 0.425 672 A N 1.002 123.802 122.820 -0.033 0.000 2.572 672 A HA 0.651 4.963 4.320 -0.014 0.000 0.295 672 A C -1.947 175.627 177.584 -0.017 0.000 1.072 672 A CA -0.458 51.561 52.037 -0.029 0.000 0.691 672 A CB 2.067 21.073 19.000 0.011 0.000 1.291 672 A HN 0.722 nan 8.150 nan 0.000 0.404 673 D N -0.016 120.370 120.400 -0.022 0.000 2.629 673 D HA 0.591 5.223 4.640 -0.014 0.000 0.250 673 D C -1.664 174.650 176.300 0.023 0.000 1.126 673 D CA -0.062 53.930 54.000 -0.013 0.000 0.852 673 D CB 1.023 41.783 40.800 -0.068 0.000 1.335 673 D HN 0.331 nan 8.370 nan 0.000 0.518 674 F N 3.190 123.066 119.950 -0.124 0.000 2.403 674 F HA 0.547 5.065 4.527 -0.015 0.000 0.355 674 F C -1.115 174.591 175.800 -0.157 0.000 1.119 674 F CA -0.478 57.418 58.000 -0.174 0.000 1.007 674 F CB 1.398 40.238 39.000 -0.268 0.000 1.194 674 F HN 0.202 nan 8.300 nan 0.000 0.443 675 S N 5.340 120.652 115.700 -0.648 0.000 2.473 675 S HA 0.730 5.192 4.470 -0.014 0.000 0.307 675 S C -0.864 173.380 174.600 -0.593 0.000 1.094 675 S CA -0.590 57.336 58.200 -0.456 0.000 1.070 675 S CB 0.904 63.944 63.200 -0.267 0.000 1.019 675 S HN 0.844 nan 8.310 nan 0.000 0.480 676 C N 2.383 121.471 119.300 -0.353 0.000 3.236 676 C HA 0.606 5.058 4.460 -0.014 0.000 0.312 676 C C 1.632 176.572 174.990 -0.083 0.000 1.374 676 C CA -0.957 57.919 59.018 -0.237 0.000 1.455 676 C CB 0.829 28.465 27.740 -0.174 0.000 1.834 676 C HN 0.867 nan 8.230 nan 0.000 0.460 677 N N 1.433 120.098 118.700 -0.058 0.000 2.094 677 N HA -0.226 4.506 4.740 -0.014 0.000 0.191 677 N C 0.953 176.424 175.510 -0.065 0.000 1.023 677 N CA 2.041 55.061 53.050 -0.050 0.000 0.857 677 N CB -0.389 38.074 38.487 -0.040 0.000 1.013 677 N HN 0.777 nan 8.380 nan 0.000 0.426 678 K N -0.953 119.397 120.400 -0.083 0.000 2.379 678 K HA 0.283 4.595 4.320 -0.014 0.000 0.194 678 K C -0.602 175.703 176.600 -0.493 0.000 1.031 678 K CA 0.128 56.248 56.287 -0.278 0.000 1.037 678 K CB 0.162 32.455 32.500 -0.345 0.000 0.824 678 K HN 0.202 nan 8.250 nan 0.000 0.516 679 F N 1.606 121.598 119.950 0.069 0.000 2.810 679 F HA 0.286 4.804 4.527 -0.015 0.000 0.373 679 F C -2.402 173.400 175.800 0.003 0.000 1.174 679 F CA -2.232 55.815 58.000 0.079 0.000 1.141 679 F CB 1.765 40.845 39.000 0.132 0.000 1.420 679 F HN -0.170 nan 8.300 nan 0.000 0.518 680 P HA 0.271 nan 4.420 nan 0.000 0.282 680 P C 0.033 177.389 177.300 0.092 0.000 1.249 680 P CA 0.048 63.194 63.100 0.076 0.000 0.806 680 P CB 1.856 33.603 31.700 0.079 0.000 0.984 681 A N 2.800 125.634 122.820 0.025 0.000 2.610 681 A HA -0.181 4.131 4.320 -0.014 0.000 0.299 681 A C 0.350 177.971 177.584 0.062 0.000 1.487 681 A CA 0.354 52.410 52.037 0.032 0.000 0.743 681 A CB -2.572 16.462 19.000 0.057 0.000 1.070 681 A HN 0.477 nan 8.150 nan 0.000 0.439 682 I N 0.983 121.597 120.570 0.073 0.000 2.496 682 I HA 0.197 4.359 4.170 -0.014 0.000 0.285 682 I C 0.604 176.756 176.117 0.058 0.000 1.080 682 I CA -0.181 61.169 61.300 0.083 0.000 1.404 682 I CB 0.781 38.840 38.000 0.099 0.000 1.403 682 I HN 0.243 nan 8.210 nan 0.000 0.539 683 K N 5.451 125.871 120.400 0.032 0.000 2.118 683 K HA 0.861 5.173 4.320 -0.014 0.000 0.254 683 K C -0.757 175.846 176.600 0.005 0.000 0.961 683 K CA -0.746 55.547 56.287 0.012 0.000 0.876 683 K CB 2.171 34.663 32.500 -0.012 0.000 1.077 683 K HN 0.668 nan 8.250 nan 0.000 0.440 684 A N 1.917 124.737 122.820 -0.001 0.000 2.520 684 A HA 0.735 5.047 4.320 -0.014 0.000 0.298 684 A C -1.259 176.316 177.584 -0.014 0.000 1.051 684 A CA -0.739 51.296 52.037 -0.003 0.000 0.690 684 A CB 1.676 20.685 19.000 0.014 0.000 1.281 684 A HN 0.725 nan 8.150 nan 0.000 0.402 685 M N 2.480 122.068 119.600 -0.020 0.000 2.446 685 M HA 0.775 5.247 4.480 -0.014 0.000 0.294 685 M C -2.489 173.800 176.300 -0.019 0.000 1.158 685 M CA -0.992 54.292 55.300 -0.028 0.000 0.899 685 M CB 1.980 34.551 32.600 -0.048 0.000 1.687 685 M HN 0.839 nan 8.290 nan 0.000 0.455 686 L N 3.128 124.344 121.223 -0.013 0.000 2.516 686 L HA 0.507 4.838 4.340 -0.014 0.000 0.267 686 L C -1.362 175.502 176.870 -0.009 0.000 0.957 686 L CA 0.126 54.961 54.840 -0.009 0.000 0.860 686 L CB 2.265 44.325 42.059 0.002 0.000 1.265 686 L HN 0.743 nan 8.230 nan 0.000 0.403 687 S N 5.393 121.085 115.700 -0.012 0.000 2.523 687 S HA 0.768 5.230 4.470 -0.014 0.000 0.275 687 S C -0.411 174.185 174.600 -0.006 0.000 1.281 687 S CA -0.337 57.858 58.200 -0.009 0.000 1.050 687 S CB 0.101 63.294 63.200 -0.011 0.000 0.937 687 S HN 0.514 nan 8.310 nan 0.000 0.492 688 I N 3.594 124.163 120.570 -0.001 0.000 2.533 688 I HA 0.341 4.503 4.170 -0.014 0.000 0.290 688 I C -1.026 175.093 176.117 0.002 0.000 1.056 688 I CA -0.845 60.455 61.300 -0.001 0.000 1.057 688 I CB 2.227 40.229 38.000 0.003 0.000 1.240 688 I HN 0.485 nan 8.210 nan 0.000 0.423 689 D N 6.239 126.639 120.400 -0.000 0.000 2.359 689 D HA 0.279 4.911 4.640 -0.014 0.000 0.230 689 D C -0.400 175.901 176.300 0.002 0.000 1.118 689 D CA -0.147 53.854 54.000 0.002 0.000 0.844 689 D CB 2.280 43.081 40.800 0.000 0.000 1.059 689 D HN 0.026 nan 8.370 nan 0.000 0.493 690 V N 1.997 121.914 119.914 0.006 0.000 2.432 690 V HA 0.521 4.633 4.120 -0.014 0.000 0.275 690 V C 0.655 176.752 176.094 0.005 0.000 1.043 690 V CA -0.678 61.626 62.300 0.006 0.000 0.925 690 V CB 1.197 33.026 31.823 0.010 0.000 0.985 690 V HN 0.616 nan 8.190 nan 0.000 0.466 691 A N 3.759 126.581 122.820 0.004 0.000 2.282 691 A HA 0.722 5.034 4.320 -0.014 0.000 0.319 691 A C 0.040 177.627 177.584 0.004 0.000 1.121 691 A CA -0.452 51.587 52.037 0.004 0.000 0.836 691 A CB 0.934 19.936 19.000 0.002 0.000 1.146 691 A HN 0.804 nan 8.150 nan 0.000 0.494 692 E N 0.000 120.203 120.200 0.005 0.000 2.725 692 E HA 0.000 4.342 4.350 -0.014 0.000 0.291 692 E CA 0.000 56.403 56.400 0.006 0.000 0.976 692 E CB 0.000 29.704 29.700 0.006 0.000 0.812 692 E HN 0.000 nan 8.360 nan 0.000 0.440