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 1yrq_1_I DATA FIRST_RESID 5 DATA SEQUENCE KPTPQSTFTG PIVVDPITRI EGHLRIMVEV ENGKVKDAWS SSQLFRGLEI DATA SEQUENCE ILKGRDPRDA QHFTQRACGV CTYVHALASS RCVDDAVKVS IPANARMMRN DATA SEQUENCE LVMASQYLHD HLVHFYHLHA LDWVDVTAAL KADPNKAAKL AASIAPARPG DATA SEQUENCE NSAKALKAVQ DKLKAFVESG QLGIFTNAYF LGGHKAYYLP PEVNLIATAH DATA SEQUENCE YLEALHMQVK AASAMAILGG KNPHTQFTVV GGCSNYQGLT KDPLANYLAL DATA SEQUENCE SKEVcQFVNE CYIPDLLAVA GFYKDWGGIG GTSNYLAFGE FATDDSSPSK DATA SEQUENCE HLATSQFPSG VITGRDLGKV DNVDLGAIYE DVKYSWYAPG GDGKHPYDGV DATA SEQUENCE TDPKYTKLDD KDHYSWMKAP RYKGKAMEVG PLARTFIAYA KGQPDFKKVV DATA SEQUENCE DMVLGKLSVP ATALHSTLGR TAARGIETAI VcANMEKWIK EMADSGAKDN DATA SEQUENCE TLCAKWEMPE ESKGVGLADA PRGALSHWIR IKGKKIDNFQ LVVPSTWNLG DATA SEQUENCE PRGAQGDKSP VEEALIGTPI ADPKRPVEIL RTVHAFDPCI ACGVH 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 5 K HA 0.000 nan 4.320 nan 0.000 0.191 5 K C 0.000 176.548 176.600 -0.086 0.000 0.988 5 K CA 0.000 56.239 56.287 -0.080 0.000 0.838 5 K CB 0.000 nan 32.500 nan 0.000 1.064 6 P HA 0.420 nan 4.420 nan 0.000 0.279 6 P C -0.442 176.872 177.300 0.024 0.000 1.282 6 P CA 0.088 63.184 63.100 -0.006 0.000 0.788 6 P CB 0.436 32.141 31.700 0.008 0.000 1.139 7 T N 2.207 116.805 114.554 0.074 0.000 2.799 7 T HA 0.235 4.585 4.350 0.001 0.000 0.296 7 T C -2.129 172.667 174.700 0.160 0.000 0.947 7 T CA -0.437 61.763 62.100 0.167 0.000 1.141 7 T CB -0.441 68.505 68.868 0.130 0.000 0.891 7 T HN 0.330 nan 8.240 nan 0.000 0.533 8 P HA 0.131 nan 4.420 nan 0.000 0.264 8 P C -0.502 176.894 177.300 0.160 0.000 1.193 8 P CA -0.016 63.198 63.100 0.190 0.000 0.763 8 P CB 0.389 32.250 31.700 0.268 0.000 0.810 9 Q N 1.790 121.657 119.800 0.112 0.000 2.313 9 Q HA 0.374 4.715 4.340 0.001 0.000 0.260 9 Q C -0.617 175.432 176.000 0.082 0.000 0.972 9 Q CA -0.526 55.335 55.803 0.097 0.000 0.886 9 Q CB 1.451 30.235 28.738 0.076 0.000 1.373 9 Q HN 0.560 nan 8.270 nan 0.000 0.416 10 S N 1.350 117.104 115.700 0.090 0.000 2.640 10 S HA 0.254 4.724 4.470 0.001 0.000 0.262 10 S C 0.883 175.544 174.600 0.102 0.000 1.232 10 S CA 0.363 58.618 58.200 0.092 0.000 0.988 10 S CB 0.920 64.183 63.200 0.105 0.000 1.034 10 S HN 0.768 nan 8.310 nan 0.000 0.569 11 T N -2.316 112.303 114.554 0.108 0.000 3.145 11 T HA 0.257 4.607 4.350 0.001 0.000 0.255 11 T C -0.005 174.760 174.700 0.109 0.000 1.039 11 T CA -0.570 61.581 62.100 0.086 0.000 0.928 11 T CB -0.939 67.962 68.868 0.054 0.000 1.029 11 T HN 0.503 nan 8.240 nan 0.000 0.554 12 F N 3.014 122.973 119.950 0.015 0.000 2.578 12 F HA 0.383 4.911 4.527 0.001 0.000 0.376 12 F C -0.176 175.634 175.800 0.017 0.000 1.085 12 F CA 0.447 58.456 58.000 0.014 0.000 1.260 12 F CB 0.534 39.543 39.000 0.015 0.000 1.095 12 F HN -0.002 nan 8.300 nan 0.000 0.573 13 T N 4.999 119.020 114.554 -0.888 0.000 2.840 13 T HA 0.707 5.058 4.350 0.001 0.000 0.287 13 T C -0.204 173.857 174.700 -1.064 0.000 0.991 13 T CA -0.088 61.583 62.100 -0.715 0.000 0.964 13 T CB 1.081 69.757 68.868 -0.320 0.000 0.954 13 T HN 1.153 nan 8.240 nan 0.000 0.438 14 G N 4.300 112.645 108.800 -0.758 0.000 2.369 14 G HA2 0.329 4.289 3.960 0.001 0.000 0.293 14 G HA3 0.329 4.289 3.960 0.001 0.000 0.293 14 G C -3.477 171.433 174.900 0.016 0.000 1.301 14 G CA -0.962 43.897 45.100 -0.402 0.000 0.913 14 G HN 0.525 nan 8.290 nan 0.000 0.540 15 P HA 0.690 nan 4.420 nan 0.000 0.282 15 P C -0.634 176.835 177.300 0.282 0.000 1.249 15 P CA -0.378 62.835 63.100 0.189 0.000 0.806 15 P CB 1.477 33.227 31.700 0.085 0.000 0.984 16 I N 1.508 122.201 120.570 0.206 0.000 2.533 16 I HA 0.342 4.512 4.170 0.001 0.000 0.290 16 I C -0.609 175.567 176.117 0.098 0.000 1.056 16 I CA -1.109 60.267 61.300 0.128 0.000 1.057 16 I CB 2.527 40.583 38.000 0.094 0.000 1.240 16 I HN -0.029 nan 8.210 nan 0.000 0.423 17 V N 6.605 126.563 119.914 0.073 0.000 2.495 17 V HA 0.459 4.580 4.120 0.001 0.000 0.298 17 V C -0.349 175.794 176.094 0.082 0.000 1.031 17 V CA -0.709 61.637 62.300 0.076 0.000 0.871 17 V CB 2.215 34.075 31.823 0.062 0.000 0.988 17 V HN 0.390 nan 8.190 nan 0.000 0.432 18 V N 3.498 123.470 119.914 0.096 0.000 2.350 18 V HA 0.653 4.773 4.120 0.001 0.000 0.285 18 V C -0.880 175.282 176.094 0.113 0.000 1.014 18 V CA -0.269 62.096 62.300 0.107 0.000 0.831 18 V CB 1.500 33.391 31.823 0.113 0.000 1.000 18 V HN 0.968 nan 8.190 nan 0.000 0.433 19 D N 5.281 125.748 120.400 0.111 0.000 2.548 19 D HA 0.432 5.073 4.640 0.001 0.000 0.214 19 D C -2.519 173.846 176.300 0.108 0.000 1.345 19 D CA -0.595 53.478 54.000 0.120 0.000 0.945 19 D CB 2.298 43.172 40.800 0.125 0.000 1.499 19 D HN 0.447 nan 8.370 nan 0.000 0.579 20 P HA 0.443 nan 4.420 nan 0.000 0.281 20 P C -0.201 177.170 177.300 0.119 0.000 1.249 20 P CA -0.683 62.498 63.100 0.135 0.000 0.810 20 P CB 1.091 32.878 31.700 0.145 0.000 1.008 21 I N 2.799 123.446 120.570 0.128 0.000 2.406 21 I HA 0.034 4.205 4.170 0.001 0.000 0.293 21 I C 1.462 177.662 176.117 0.139 0.000 1.101 21 I CA 0.277 61.645 61.300 0.114 0.000 1.334 21 I CB -0.018 38.045 38.000 0.104 0.000 1.421 21 I HN 0.524 nan 8.210 nan 0.000 0.513 22 T N 3.637 118.271 114.554 0.133 0.000 2.810 22 T HA 0.378 4.728 4.350 0.001 0.000 0.277 22 T C 0.833 175.655 174.700 0.204 0.000 0.973 22 T CA -0.717 61.457 62.100 0.123 0.000 0.949 22 T CB 0.625 69.527 68.868 0.056 0.000 1.075 22 T HN 0.613 nan 8.240 nan 0.000 0.537 23 R N -0.063 120.489 120.500 0.085 0.000 3.416 23 R HA -0.148 4.193 4.340 0.001 0.000 0.263 23 R C -0.037 176.265 176.300 0.004 0.000 1.053 23 R CA 0.860 56.948 56.100 -0.020 0.000 0.705 23 R CB -2.161 28.023 30.300 -0.193 0.000 1.124 23 R HN 0.775 nan 8.270 nan 0.000 0.444 24 I N -4.970 115.668 120.570 0.114 0.000 3.343 24 I HA 0.538 4.709 4.170 0.001 0.000 0.315 24 I C -0.216 175.951 176.117 0.084 0.000 1.153 24 I CA -1.239 60.148 61.300 0.144 0.000 0.952 24 I CB 1.829 39.952 38.000 0.206 0.000 1.287 24 I HN -0.229 nan 8.210 nan 0.000 0.472 25 E N 1.602 121.854 120.200 0.087 0.000 2.259 25 E HA 0.575 4.926 4.350 0.001 0.000 0.281 25 E C 0.039 176.640 176.600 0.002 0.000 1.027 25 E CA 0.880 57.306 56.400 0.043 0.000 0.838 25 E CB 1.081 30.826 29.700 0.076 0.000 1.066 25 E HN 1.029 nan 8.360 nan 0.000 0.401 26 G N 4.120 112.841 108.800 -0.132 0.000 2.582 26 G HA2 -0.152 3.809 3.960 0.001 0.000 0.222 26 G HA3 -0.152 3.809 3.960 0.001 0.000 0.222 26 G C -1.075 173.594 174.900 -0.386 0.000 1.311 26 G CA -0.668 44.274 45.100 -0.262 0.000 0.915 26 G HN 0.675 nan 8.290 nan 0.000 0.528 27 H N -0.460 118.693 119.070 0.139 0.000 2.685 27 H HA 0.616 5.172 4.556 0.001 0.000 0.307 27 H C -0.622 174.817 175.328 0.185 0.000 1.017 27 H CA -0.405 55.733 56.048 0.149 0.000 1.237 27 H CB 1.390 31.235 29.762 0.139 0.000 1.409 27 H HN 0.531 nan 8.280 nan 0.000 0.488 28 L N 3.037 124.413 121.223 0.257 0.000 2.385 28 L HA 0.433 4.774 4.340 0.001 0.000 0.273 28 L C -0.320 176.679 176.870 0.214 0.000 0.990 28 L CA -0.602 54.376 54.840 0.230 0.000 0.821 28 L CB 1.899 44.065 42.059 0.178 0.000 1.279 28 L HN 0.486 nan 8.230 nan 0.000 0.412 29 R N 5.128 125.764 120.500 0.227 0.000 2.393 29 R HA 0.660 5.001 4.340 0.001 0.000 0.310 29 R C -1.325 175.082 176.300 0.178 0.000 0.968 29 R CA -0.628 55.589 56.100 0.196 0.000 0.867 29 R CB 0.941 31.373 30.300 0.220 0.000 1.124 29 R HN 0.605 nan 8.270 nan 0.000 0.450 30 I N 5.599 126.257 120.570 0.146 0.000 2.404 30 I HA 0.305 4.476 4.170 0.001 0.000 0.293 30 I C -0.520 175.679 176.117 0.137 0.000 0.992 30 I CA -0.911 60.473 61.300 0.140 0.000 1.149 30 I CB 1.754 39.820 38.000 0.111 0.000 1.315 30 I HN 0.686 nan 8.210 nan 0.000 0.446 31 M N 7.265 126.964 119.600 0.166 0.000 2.311 31 M HA 0.583 5.063 4.480 0.001 0.000 0.325 31 M C -0.267 176.213 176.300 0.300 0.000 1.061 31 M CA -0.716 54.682 55.300 0.163 0.000 0.957 31 M CB 2.015 34.631 32.600 0.026 0.000 1.646 31 M HN 0.371 nan 8.290 nan 0.000 0.434 32 V N -1.449 118.613 119.914 0.246 0.000 3.040 32 V HA 0.741 4.862 4.120 0.001 0.000 0.312 32 V C -0.852 175.408 176.094 0.276 0.000 1.115 32 V CA -0.725 61.743 62.300 0.280 0.000 0.998 32 V CB 2.310 34.237 31.823 0.173 0.000 1.042 32 V HN 0.756 nan 8.190 nan 0.000 0.433 33 E N 1.578 121.953 120.200 0.291 0.000 2.166 33 E HA 0.647 4.998 4.350 0.001 0.000 0.275 33 E C -1.174 175.509 176.600 0.139 0.000 0.941 33 E CA -0.397 56.123 56.400 0.200 0.000 0.784 33 E CB 2.216 32.043 29.700 0.213 0.000 1.115 33 E HN 0.686 nan 8.360 nan 0.000 0.399 34 V N 2.073 122.060 119.914 0.121 0.000 2.581 34 V HA 0.403 4.523 4.120 0.001 0.000 0.303 34 V C -0.009 176.078 176.094 -0.010 0.000 1.041 34 V CA -0.770 61.593 62.300 0.107 0.000 0.907 34 V CB 1.972 33.963 31.823 0.280 0.000 0.994 34 V HN 0.605 nan 8.190 nan 0.000 0.442 35 E N 3.415 123.615 120.200 -0.000 0.000 2.265 35 E HA 0.323 4.673 4.350 0.001 0.000 0.262 35 E C -0.608 175.985 176.600 -0.012 0.000 0.889 35 E CA -0.563 55.814 56.400 -0.038 0.000 0.789 35 E CB 0.755 30.441 29.700 -0.024 0.000 1.221 35 E HN 0.775 nan 8.360 nan 0.000 0.414 36 N N 3.378 122.062 118.700 -0.027 0.000 2.725 36 N HA -0.245 4.495 4.740 0.001 0.000 0.251 36 N C 0.615 176.154 175.510 0.048 0.000 1.031 36 N CA 1.333 54.388 53.050 0.007 0.000 0.720 36 N CB -1.325 37.163 38.487 0.002 0.000 0.930 36 N HN 0.996 nan 8.380 nan 0.000 0.543 37 G N -1.285 107.572 108.800 0.094 0.000 2.179 37 G HA2 -0.349 3.611 3.960 0.001 0.000 0.260 37 G HA3 -0.349 3.611 3.960 0.001 0.000 0.260 37 G C -0.004 174.958 174.900 0.103 0.000 0.977 37 G CA 0.954 46.132 45.100 0.130 0.000 0.641 37 G HN 0.532 nan 8.290 nan 0.000 0.533 38 K N 0.128 120.573 120.400 0.075 0.000 2.270 38 K HA 0.587 4.907 4.320 0.001 0.000 0.255 38 K C 0.229 176.865 176.600 0.061 0.000 0.936 38 K CA -0.926 55.394 56.287 0.055 0.000 0.809 38 K CB 2.786 35.300 32.500 0.024 0.000 1.131 38 K HN 0.005 nan 8.250 nan 0.000 0.427 39 V N 4.230 124.181 119.914 0.062 0.000 2.540 39 V HA -0.062 4.059 4.120 0.001 0.000 0.297 39 V C 1.312 177.420 176.094 0.024 0.000 1.024 39 V CA 0.672 63.008 62.300 0.061 0.000 1.105 39 V CB 0.444 32.303 31.823 0.061 0.000 0.938 39 V HN 0.842 nan 8.190 nan 0.000 0.482 40 K N 2.172 122.585 120.400 0.021 0.000 2.370 40 K HA 0.285 4.606 4.320 0.001 0.000 0.194 40 K C -0.001 176.564 176.600 -0.058 0.000 1.070 40 K CA -0.044 56.237 56.287 -0.011 0.000 0.998 40 K CB 0.820 33.319 32.500 -0.001 0.000 0.911 40 K HN 0.569 nan 8.250 nan 0.000 0.533 41 D N -0.258 120.102 120.400 -0.066 0.000 2.736 41 D HA 0.581 5.222 4.640 0.001 0.000 0.223 41 D C -1.888 174.239 176.300 -0.287 0.000 1.231 41 D CA -0.399 53.445 54.000 -0.259 0.000 0.818 41 D CB 2.525 43.181 40.800 -0.241 0.000 1.587 41 D HN 0.252 nan 8.370 nan 0.000 0.463 42 A N 1.525 123.946 122.820 -0.666 0.000 2.587 42 A HA 0.793 5.113 4.320 0.001 0.000 0.293 42 A C -1.774 175.387 177.584 -0.706 0.000 1.087 42 A CA -0.784 51.033 52.037 -0.365 0.000 0.692 42 A CB 1.813 20.721 19.000 -0.153 0.000 1.291 42 A HN 0.380 nan 8.150 nan 0.000 0.407 43 W N 0.673 121.872 121.300 -0.168 0.000 3.042 43 W HA 0.479 5.140 4.660 0.001 0.000 0.337 43 W C -0.248 176.228 176.519 -0.072 0.000 1.086 43 W CA -0.491 56.681 57.345 -0.289 0.000 1.236 43 W CB 2.327 31.429 29.460 -0.596 0.000 1.381 43 W HN 0.713 nan 8.180 nan 0.000 0.472 44 S N 2.241 118.104 115.700 0.271 0.000 2.423 44 S HA 0.302 4.772 4.470 0.001 0.000 0.317 44 S C -0.353 174.466 174.600 0.365 0.000 1.065 44 S CA 0.001 58.351 58.200 0.250 0.000 1.111 44 S CB 0.715 63.991 63.200 0.126 0.000 0.968 44 S HN 0.324 nan 8.310 nan 0.000 0.474 45 S N 4.465 120.357 115.700 0.320 0.000 2.516 45 S HA 0.392 4.862 4.470 0.001 0.000 0.268 45 S C -0.255 174.542 174.600 0.329 0.000 1.251 45 S CA -0.600 57.802 58.200 0.335 0.000 1.153 45 S CB 0.065 63.474 63.200 0.347 0.000 1.009 45 S HN 0.705 nan 8.310 nan 0.000 0.479 46 S N 3.834 119.722 115.700 0.313 0.000 2.533 46 S HA 0.147 4.617 4.470 0.001 0.000 0.282 46 S C 0.846 175.826 174.600 0.633 0.000 1.304 46 S CA -0.354 58.089 58.200 0.404 0.000 1.063 46 S CB 0.734 64.153 63.200 0.364 0.000 0.881 46 S HN 0.696 nan 8.310 nan 0.000 0.493 47 Q N 1.042 121.177 119.800 0.558 0.000 2.194 47 Q HA 0.323 4.664 4.340 0.001 0.000 0.214 47 Q C -0.669 175.584 176.000 0.421 0.000 0.838 47 Q CA -0.034 56.099 55.803 0.549 0.000 0.972 47 Q CB 0.398 29.353 28.738 0.362 0.000 1.131 47 Q HN 0.580 nan 8.270 nan 0.000 0.498 48 L N -0.385 121.065 121.223 0.378 0.000 2.455 48 L HA 0.615 4.956 4.340 0.001 0.000 0.264 48 L C -1.841 174.949 176.870 -0.134 0.000 0.968 48 L CA -0.901 53.974 54.840 0.059 0.000 0.827 48 L CB 1.981 44.121 42.059 0.135 0.000 1.317 48 L HN -0.082 nan 8.230 nan 0.000 0.407 49 F N 4.199 123.718 119.950 -0.717 0.000 2.551 49 F HA 0.645 5.173 4.527 0.001 0.000 0.316 49 F C 0.420 175.964 175.800 -0.426 0.000 1.089 49 F CA -0.301 57.267 58.000 -0.718 0.000 0.915 49 F CB 1.986 40.053 39.000 -1.554 0.000 1.186 49 F HN 0.629 nan 8.300 nan 0.000 0.456 50 R N 2.364 122.325 120.500 -0.899 0.000 2.243 50 R HA 0.317 4.658 4.340 0.001 0.000 0.193 50 R C 0.509 176.331 176.300 -0.796 0.000 0.933 50 R CA 0.292 56.029 56.100 -0.606 0.000 1.105 50 R CB 0.676 30.779 30.300 -0.330 0.000 1.169 50 R HN 0.964 nan 8.270 nan 0.000 0.599 51 G N 1.848 109.914 108.800 -1.222 0.000 2.248 51 G HA2 -0.208 3.753 3.960 0.001 0.000 0.252 51 G HA3 -0.208 3.753 3.960 0.001 0.000 0.252 51 G C 0.554 175.313 174.900 -0.234 0.000 1.085 51 G CA 0.004 44.655 45.100 -0.748 0.000 0.845 51 G HN 0.146 nan 8.290 nan 0.000 0.494 52 L N -0.842 120.274 121.223 -0.179 0.000 2.129 52 L HA -0.142 4.199 4.340 0.001 0.000 0.212 52 L C 2.739 179.565 176.870 -0.073 0.000 1.087 52 L CA 2.219 57.005 54.840 -0.089 0.000 0.757 52 L CB -0.407 41.606 42.059 -0.076 0.000 0.896 52 L HN 0.510 nan 8.230 nan 0.000 0.434 53 E N 0.453 120.663 120.200 0.017 0.000 2.077 53 E HA -0.193 4.158 4.350 0.001 0.000 0.193 53 E C 2.271 178.898 176.600 0.045 0.000 0.989 53 E CA 1.181 57.623 56.400 0.069 0.000 0.800 53 E CB -0.088 29.713 29.700 0.168 0.000 0.746 53 E HN 0.469 nan 8.360 nan 0.000 0.452 54 I N 0.806 121.414 120.570 0.065 0.000 2.226 54 I HA -0.275 3.895 4.170 0.001 0.000 0.245 54 I C 2.293 178.402 176.117 -0.013 0.000 1.100 54 I CA 1.096 62.431 61.300 0.060 0.000 1.374 54 I CB -0.306 37.765 38.000 0.118 0.000 1.057 54 I HN 0.112 nan 8.210 nan 0.000 0.413 55 I N 0.543 121.080 120.570 -0.056 0.000 2.286 55 I HA -0.274 3.896 4.170 0.001 0.000 0.248 55 I C 2.326 178.290 176.117 -0.255 0.000 1.115 55 I CA 1.367 62.598 61.300 -0.114 0.000 1.392 55 I CB -0.202 37.754 38.000 -0.074 0.000 1.065 55 I HN 0.204 nan 8.210 nan 0.000 0.418 56 L N 0.492 121.540 121.223 -0.291 0.000 2.362 56 L HA -0.105 4.236 4.340 0.001 0.000 0.219 56 L C 1.314 178.057 176.870 -0.211 0.000 1.134 56 L CA 0.424 55.027 54.840 -0.394 0.000 0.807 56 L CB -0.396 41.421 42.059 -0.403 0.000 0.927 56 L HN 0.122 nan 8.230 nan 0.000 0.447 57 K N 0.390 120.727 120.400 -0.105 0.000 2.451 57 K HA 0.127 4.447 4.320 0.001 0.000 0.280 57 K C 1.165 177.737 176.600 -0.047 0.000 1.020 57 K CA 0.847 57.114 56.287 -0.035 0.000 1.008 57 K CB 0.337 32.839 32.500 0.003 0.000 0.917 57 K HN 0.188 nan 8.250 nan 0.000 0.478 58 G N 3.252 112.041 108.800 -0.019 0.000 2.184 58 G HA2 -0.316 3.644 3.960 0.001 0.000 0.264 58 G HA3 -0.316 3.644 3.960 0.001 0.000 0.264 58 G C 0.164 175.046 174.900 -0.030 0.000 0.975 58 G CA 0.413 45.505 45.100 -0.014 0.000 0.642 58 G HN 0.646 nan 8.290 nan 0.000 0.536 59 R N 0.226 120.682 120.500 -0.073 0.000 2.541 59 R HA 0.426 4.766 4.340 0.001 0.000 0.263 59 R C -0.119 176.164 176.300 -0.028 0.000 1.112 59 R CA -0.474 55.578 56.100 -0.081 0.000 1.170 59 R CB 0.281 30.458 30.300 -0.205 0.000 1.167 59 R HN 0.180 nan 8.270 nan 0.000 0.582 60 D N 1.165 121.567 120.400 0.004 0.000 2.401 60 D HA 0.021 4.662 4.640 0.001 0.000 0.254 60 D C -1.657 174.675 176.300 0.054 0.000 1.192 60 D CA -1.889 52.141 54.000 0.051 0.000 0.885 60 D CB 1.153 41.999 40.800 0.077 0.000 1.147 60 D HN 0.116 nan 8.370 nan 0.000 0.478 61 P HA -0.129 nan 4.420 nan 0.000 0.218 61 P C 1.066 178.408 177.300 0.070 0.000 1.146 61 P CA 1.136 64.287 63.100 0.085 0.000 0.813 61 P CB 0.186 31.947 31.700 0.103 0.000 0.778 62 R N -0.749 119.815 120.500 0.107 0.000 2.189 62 R HA -0.094 4.247 4.340 0.001 0.000 0.223 62 R C 1.390 177.778 176.300 0.147 0.000 1.092 62 R CA 1.086 57.257 56.100 0.118 0.000 0.989 62 R CB -0.553 29.865 30.300 0.197 0.000 0.876 62 R HN 0.226 nan 8.270 nan 0.000 0.457 63 D N 0.380 120.872 120.400 0.152 0.000 2.277 63 D HA -0.004 4.636 4.640 0.001 0.000 0.208 63 D C 1.715 178.140 176.300 0.208 0.000 0.962 63 D CA 0.857 55.011 54.000 0.256 0.000 0.865 63 D CB -0.044 40.897 40.800 0.235 0.000 0.939 63 D HN 0.185 nan 8.370 nan 0.000 0.510 64 A N 1.550 124.365 122.820 -0.007 0.000 1.873 64 A HA -0.306 4.015 4.320 0.001 0.000 0.218 64 A C 2.149 179.650 177.584 -0.138 0.000 1.193 64 A CA 2.324 54.240 52.037 -0.202 0.000 0.629 64 A CB -0.951 17.838 19.000 -0.353 0.000 0.826 64 A HN 0.418 nan 8.150 nan 0.000 0.447 65 Q N -1.488 118.211 119.800 -0.169 0.000 2.234 65 Q HA -0.240 4.101 4.340 0.001 0.000 0.206 65 Q C 1.670 177.502 176.000 -0.280 0.000 0.980 65 Q CA 1.827 57.485 55.803 -0.242 0.000 0.869 65 Q CB -0.607 27.907 28.738 -0.374 0.000 0.912 65 Q HN 0.792 nan 8.270 nan 0.000 0.436 66 H N -1.084 117.987 119.070 0.002 0.000 2.482 66 H HA 0.038 4.595 4.556 0.001 0.000 0.286 66 H C 1.288 176.530 175.328 -0.143 0.000 1.017 66 H CA 0.905 56.908 56.048 -0.074 0.000 1.322 66 H CB -0.007 29.708 29.762 -0.079 0.000 1.426 66 H HN 0.318 nan 8.280 nan 0.000 0.546 67 F N 1.161 121.062 119.950 -0.082 0.000 2.179 67 F HA -0.123 4.405 4.527 0.001 0.000 0.292 67 F C 2.845 178.530 175.800 -0.192 0.000 1.089 67 F CA 1.570 59.485 58.000 -0.141 0.000 1.295 67 F CB -0.422 38.470 39.000 -0.180 0.000 1.041 67 F HN 0.138 nan 8.300 nan 0.000 0.487 68 T N -2.186 112.348 114.554 -0.033 0.000 2.915 68 T HA -0.221 4.129 4.350 0.001 0.000 0.269 68 T C 1.846 176.504 174.700 -0.070 0.000 1.071 68 T CA 1.237 63.263 62.100 -0.123 0.000 1.132 68 T CB -0.577 68.218 68.868 -0.122 0.000 0.878 68 T HN 0.348 nan 8.240 nan 0.000 0.479 69 Q N 0.615 120.392 119.800 -0.038 0.000 2.181 69 Q HA -0.096 4.244 4.340 0.001 0.000 0.205 69 Q C 1.981 177.909 176.000 -0.121 0.000 0.980 69 Q CA 1.127 56.915 55.803 -0.025 0.000 0.862 69 Q CB -0.056 28.612 28.738 -0.117 0.000 0.905 69 Q HN 0.334 nan 8.270 nan 0.000 0.429 70 R N -0.274 120.097 120.500 -0.216 0.000 2.323 70 R HA 0.105 4.445 4.340 0.001 0.000 0.198 70 R C 1.646 177.933 176.300 -0.021 0.000 0.988 70 R CA 0.674 56.697 56.100 -0.128 0.000 1.041 70 R CB -0.458 29.754 30.300 -0.147 0.000 0.926 70 R HN 0.331 nan 8.270 nan 0.000 0.476 71 A N -0.644 122.117 122.820 -0.097 0.000 2.032 71 A HA -0.139 4.182 4.320 0.001 0.000 0.221 71 A C 0.816 178.434 177.584 0.057 0.000 1.165 71 A CA 1.288 53.248 52.037 -0.129 0.000 0.645 71 A CB -0.130 18.526 19.000 -0.574 0.000 0.807 71 A HN 0.402 nan 8.150 nan 0.000 0.453 72 C N -3.493 115.921 119.300 0.190 0.000 3.046 72 C HA 0.559 5.020 4.460 0.001 0.000 0.388 72 C C 1.151 176.343 174.990 0.337 0.000 1.041 72 C CA -0.252 58.920 59.018 0.257 0.000 1.241 72 C CB 0.949 28.869 27.740 0.299 0.000 1.638 72 C HN 0.532 nan 8.230 nan 0.000 0.539 73 G N 2.676 111.592 108.800 0.194 0.000 3.126 73 G HA2 0.250 4.211 3.960 0.001 0.000 0.224 73 G HA3 0.250 4.211 3.960 0.001 0.000 0.224 73 G C 0.888 175.799 174.900 0.018 0.000 1.142 73 G CA 0.915 46.012 45.100 -0.005 0.000 0.759 73 G HN 0.684 nan 8.290 nan 0.000 0.550 74 V N 1.113 121.086 119.914 0.098 0.000 2.341 74 V HA -0.058 4.063 4.120 0.001 0.000 0.240 74 V C 2.249 178.429 176.094 0.145 0.000 1.035 74 V CA 1.373 63.743 62.300 0.118 0.000 1.033 74 V CB -0.424 31.472 31.823 0.121 0.000 0.678 74 V HN 0.567 nan 8.190 nan 0.000 0.464 75 C N 1.412 120.804 119.300 0.152 0.000 3.305 75 C HA 0.415 4.876 4.460 0.001 0.000 0.566 75 C C 1.132 176.234 174.990 0.187 0.000 1.178 75 C CA -0.968 58.135 59.018 0.141 0.000 1.317 75 C CB -2.394 25.401 27.740 0.092 0.000 1.634 75 C HN 0.445 nan 8.230 nan 0.000 0.643 76 T N -0.204 114.470 114.554 0.199 0.000 2.734 76 T HA 0.195 4.546 4.350 0.001 0.000 0.314 76 T C 0.585 175.486 174.700 0.336 0.000 1.057 76 T CA 1.493 63.763 62.100 0.283 0.000 1.047 76 T CB 0.139 69.107 68.868 0.167 0.000 0.991 76 T HN 1.374 nan 8.240 nan 0.000 0.540 77 Y N 0.789 121.216 120.300 0.211 0.000 2.818 77 Y HA -0.384 4.167 4.550 0.001 0.000 0.487 77 Y C 1.648 177.592 175.900 0.073 0.000 1.146 77 Y CA 3.371 61.562 58.100 0.151 0.000 2.839 77 Y CB -2.133 36.420 38.460 0.156 0.000 0.893 77 Y HN 0.494 nan 8.280 nan 0.000 0.545 78 V N -1.117 118.698 119.914 -0.166 0.000 2.469 78 V HA -0.241 3.880 4.120 0.001 0.000 0.251 78 V C 2.212 178.014 176.094 -0.488 0.000 1.064 78 V CA 2.590 64.627 62.300 -0.439 0.000 1.066 78 V CB -0.856 30.794 31.823 -0.289 0.000 0.667 78 V HN 0.686 nan 8.190 nan 0.000 0.461 79 H N 0.781 119.759 119.070 -0.153 0.000 2.403 79 H HA 0.268 4.825 4.556 0.001 0.000 0.298 79 H C 2.518 177.779 175.328 -0.112 0.000 1.059 79 H CA 1.584 57.593 56.048 -0.065 0.000 1.363 79 H CB -0.184 29.647 29.762 0.115 0.000 1.410 79 H HN 0.588 nan 8.280 nan 0.000 0.528 80 A N 1.285 124.067 122.820 -0.062 0.000 1.933 80 A HA -0.121 4.200 4.320 0.001 0.000 0.218 80 A C 2.460 179.869 177.584 -0.291 0.000 1.175 80 A CA 1.185 53.129 52.037 -0.155 0.000 0.628 80 A CB -0.610 18.317 19.000 -0.122 0.000 0.814 80 A HN 0.292 nan 8.150 nan 0.000 0.444 81 L N -0.335 120.581 121.223 -0.511 0.000 2.027 81 L HA 0.030 4.370 4.340 0.001 0.000 0.206 81 L C 2.571 179.196 176.870 -0.407 0.000 1.074 81 L CA 2.245 56.760 54.840 -0.541 0.000 0.745 81 L CB -0.857 40.687 42.059 -0.858 0.000 0.898 81 L HN 0.290 nan 8.230 nan 0.000 0.433 82 A N -1.335 121.197 122.820 -0.480 0.000 1.898 82 A HA -0.155 4.165 4.320 0.001 0.000 0.216 82 A C 2.401 179.755 177.584 -0.384 0.000 1.181 82 A CA 1.856 53.547 52.037 -0.576 0.000 0.620 82 A CB -1.003 17.391 19.000 -1.011 0.000 0.819 82 A HN 0.522 nan 8.150 nan 0.000 0.442 83 S N 0.163 115.785 115.700 -0.130 0.000 2.356 83 S HA -0.129 4.342 4.470 0.001 0.000 0.223 83 S C 2.336 176.932 174.600 -0.006 0.000 1.032 83 S CA 1.573 59.913 58.200 0.233 0.000 1.005 83 S CB -0.306 63.050 63.200 0.260 0.000 0.867 83 S HN 0.665 nan 8.310 nan 0.000 0.449 84 S N 1.179 116.796 115.700 -0.139 0.000 2.368 84 S HA -0.057 4.413 4.470 0.001 0.000 0.225 84 S C 1.880 176.362 174.600 -0.196 0.000 1.030 84 S CA 0.942 59.029 58.200 -0.188 0.000 0.999 84 S CB -0.222 62.839 63.200 -0.232 0.000 0.844 84 S HN 0.409 nan 8.310 nan 0.000 0.459 85 R N -0.006 120.364 120.500 -0.216 0.000 2.120 85 R HA -0.080 4.261 4.340 0.001 0.000 0.234 85 R C 2.727 178.900 176.300 -0.213 0.000 1.123 85 R CA 1.328 57.293 56.100 -0.225 0.000 0.975 85 R CB -0.644 29.489 30.300 -0.277 0.000 0.866 85 R HN 0.543 nan 8.270 nan 0.000 0.446 86 C N -0.143 119.040 119.300 -0.195 0.000 2.476 86 C HA 0.012 4.472 4.460 0.001 0.000 0.278 86 C C 2.506 177.419 174.990 -0.128 0.000 1.274 86 C CA 0.369 59.278 59.018 -0.182 0.000 1.713 86 C CB -0.631 27.024 27.740 -0.141 0.000 2.039 86 C HN 0.246 nan 8.230 nan 0.000 0.484 87 V N 1.537 121.390 119.914 -0.100 0.000 2.453 87 V HA -0.115 4.006 4.120 0.001 0.000 0.247 87 V C 2.306 178.277 176.094 -0.204 0.000 1.048 87 V CA 2.418 64.646 62.300 -0.120 0.000 1.049 87 V CB -0.789 30.964 31.823 -0.116 0.000 0.672 87 V HN 0.493 nan 8.190 nan 0.000 0.457 88 D N 0.161 120.421 120.400 -0.233 0.000 2.116 88 D HA -0.216 4.424 4.640 0.001 0.000 0.193 88 D C 1.921 178.129 176.300 -0.153 0.000 0.998 88 D CA 1.848 55.707 54.000 -0.235 0.000 0.836 88 D CB -0.333 40.345 40.800 -0.203 0.000 0.951 88 D HN 0.497 nan 8.370 nan 0.000 0.449 89 D N -0.005 120.316 120.400 -0.132 0.000 2.097 89 D HA -0.079 4.562 4.640 0.001 0.000 0.195 89 D C 1.938 178.202 176.300 -0.060 0.000 0.989 89 D CA 1.747 55.691 54.000 -0.092 0.000 0.827 89 D CB -0.223 40.512 40.800 -0.108 0.000 0.966 89 D HN 0.096 nan 8.370 nan 0.000 0.456 90 A N 0.022 122.806 122.820 -0.060 0.000 1.940 90 A HA -0.138 4.183 4.320 0.001 0.000 0.219 90 A C 2.315 179.892 177.584 -0.011 0.000 1.176 90 A CA 2.245 54.266 52.037 -0.026 0.000 0.631 90 A CB -0.782 18.209 19.000 -0.015 0.000 0.814 90 A HN 0.423 nan 8.150 nan 0.000 0.446 91 V N -4.588 115.307 119.914 -0.032 0.000 3.647 91 V HA 0.268 4.389 4.120 0.001 0.000 0.279 91 V C 0.392 176.512 176.094 0.043 0.000 1.314 91 V CA 0.423 62.744 62.300 0.035 0.000 1.125 91 V CB -0.961 30.901 31.823 0.066 0.000 0.907 91 V HN 0.486 nan 8.190 nan 0.000 0.434 92 K N -0.159 120.239 120.400 -0.003 0.000 3.393 92 K HA -0.135 4.186 4.320 0.001 0.000 0.272 92 K C -0.381 176.232 176.600 0.022 0.000 1.004 92 K CA 0.786 57.077 56.287 0.005 0.000 0.764 92 K CB -1.616 30.897 32.500 0.022 0.000 1.373 92 K HN 0.582 nan 8.250 nan 0.000 0.458 93 V N 0.445 120.354 119.914 -0.009 0.000 2.555 93 V HA 0.481 4.601 4.120 0.001 0.000 0.302 93 V C -0.438 175.644 176.094 -0.020 0.000 1.038 93 V CA -0.382 61.926 62.300 0.015 0.000 0.887 93 V CB 2.028 33.862 31.823 0.019 0.000 0.991 93 V HN 0.366 nan 8.190 nan 0.000 0.434 94 S N 7.089 122.791 115.700 0.003 0.000 2.422 94 S HA 0.513 4.984 4.470 0.001 0.000 0.308 94 S C -0.111 174.485 174.600 -0.006 0.000 1.097 94 S CA -0.804 57.391 58.200 -0.008 0.000 1.099 94 S CB 0.262 63.465 63.200 0.004 0.000 0.976 94 S HN 0.861 nan 8.310 nan 0.000 0.471 95 I N 3.113 123.667 120.570 -0.026 0.000 2.882 95 I HA 0.510 4.681 4.170 0.001 0.000 0.286 95 I C -2.415 173.699 176.117 -0.004 0.000 1.139 95 I CA -1.972 59.315 61.300 -0.022 0.000 1.379 95 I CB -0.074 37.897 38.000 -0.048 0.000 1.410 95 I HN 0.338 nan 8.210 nan 0.000 0.594 96 P HA 0.168 nan 4.420 nan 0.000 0.274 96 P C 0.321 177.626 177.300 0.008 0.000 1.237 96 P CA -0.282 62.828 63.100 0.016 0.000 0.793 96 P CB 1.030 32.748 31.700 0.030 0.000 0.977 97 A N 2.336 125.164 122.820 0.013 0.000 1.917 97 A HA -0.270 4.050 4.320 0.001 0.000 0.219 97 A C 1.865 179.453 177.584 0.007 0.000 1.182 97 A CA 1.931 53.974 52.037 0.009 0.000 0.633 97 A CB -1.294 17.716 19.000 0.016 0.000 0.819 97 A HN 0.563 nan 8.150 nan 0.000 0.448 98 N N 0.166 118.874 118.700 0.014 0.000 2.244 98 N HA -0.071 4.670 4.740 0.001 0.000 0.183 98 N C 1.770 177.280 175.510 0.001 0.000 1.016 98 N CA 1.426 54.482 53.050 0.010 0.000 0.866 98 N CB -0.469 38.031 38.487 0.021 0.000 0.980 98 N HN 0.526 nan 8.380 nan 0.000 0.430 99 A N 1.178 123.997 122.820 -0.001 0.000 1.970 99 A HA -0.049 4.272 4.320 0.001 0.000 0.216 99 A C 2.250 179.836 177.584 0.003 0.000 1.170 99 A CA 0.720 52.757 52.037 -0.000 0.000 0.645 99 A CB -0.307 18.681 19.000 -0.020 0.000 0.816 99 A HN 0.199 nan 8.150 nan 0.000 0.447 100 R N -0.553 119.941 120.500 -0.012 0.000 2.081 100 R HA -0.098 4.243 4.340 0.001 0.000 0.235 100 R C 1.997 178.277 176.300 -0.034 0.000 1.131 100 R CA 1.871 57.957 56.100 -0.023 0.000 0.960 100 R CB -0.331 29.951 30.300 -0.029 0.000 0.856 100 R HN 0.530 nan 8.270 nan 0.000 0.436 101 M N -0.029 119.552 119.600 -0.032 0.000 2.099 101 M HA -0.157 4.323 4.480 0.001 0.000 0.262 101 M C 2.529 178.804 176.300 -0.041 0.000 1.067 101 M CA 1.735 57.006 55.300 -0.049 0.000 1.124 101 M CB -0.234 32.353 32.600 -0.021 0.000 1.353 101 M HN 0.234 nan 8.290 nan 0.000 0.410 102 M N -0.050 119.542 119.600 -0.013 0.000 2.159 102 M HA -0.198 4.282 4.480 0.001 0.000 0.263 102 M C 2.202 178.541 176.300 0.065 0.000 1.063 102 M CA 1.769 57.062 55.300 -0.012 0.000 1.110 102 M CB -0.077 32.538 32.600 0.025 0.000 1.374 102 M HN 0.135 nan 8.290 nan 0.000 0.411 103 R N -0.244 120.339 120.500 0.140 0.000 2.092 103 R HA -0.103 4.237 4.340 0.001 0.000 0.231 103 R C 1.724 178.117 176.300 0.156 0.000 1.119 103 R CA 1.511 57.757 56.100 0.242 0.000 0.970 103 R CB -0.476 29.915 30.300 0.152 0.000 0.864 103 R HN 0.444 nan 8.270 nan 0.000 0.440 104 N N 0.814 119.521 118.700 0.012 0.000 2.171 104 N HA -0.078 4.663 4.740 0.001 0.000 0.184 104 N C 1.832 177.328 175.510 -0.023 0.000 1.021 104 N CA 0.869 53.881 53.050 -0.063 0.000 0.854 104 N CB -0.213 38.156 38.487 -0.196 0.000 0.994 104 N HN 0.131 nan 8.380 nan 0.000 0.426 105 L N 0.236 121.429 121.223 -0.050 0.000 2.083 105 L HA -0.127 4.214 4.340 0.001 0.000 0.209 105 L C 1.980 178.890 176.870 0.068 0.000 1.083 105 L CA 0.780 55.644 54.840 0.039 0.000 0.752 105 L CB -0.221 41.862 42.059 0.040 0.000 0.899 105 L HN 0.009 nan 8.230 nan 0.000 0.433 106 V N -0.751 119.121 119.914 -0.070 0.000 2.427 106 V HA -0.316 3.805 4.120 0.001 0.000 0.248 106 V C 2.373 178.425 176.094 -0.071 0.000 1.051 106 V CA 1.696 63.855 62.300 -0.235 0.000 1.048 106 V CB -0.328 31.111 31.823 -0.640 0.000 0.666 106 V HN 0.432 nan 8.190 nan 0.000 0.456 107 M N 1.125 120.824 119.600 0.164 0.000 2.108 107 M HA -0.130 4.350 4.480 0.001 0.000 0.261 107 M C 2.041 178.564 176.300 0.371 0.000 1.066 107 M CA 2.322 57.836 55.300 0.357 0.000 1.107 107 M CB -0.780 31.937 32.600 0.195 0.000 1.356 107 M HN 0.253 nan 8.290 nan 0.000 0.406 108 A N -1.272 121.749 122.820 0.335 0.000 1.902 108 A HA -0.128 4.192 4.320 0.001 0.000 0.217 108 A C 2.257 179.995 177.584 0.256 0.000 1.181 108 A CA 2.156 54.357 52.037 0.273 0.000 0.623 108 A CB -1.210 17.899 19.000 0.182 0.000 0.818 108 A HN 0.581 nan 8.150 nan 0.000 0.443 109 S N -0.625 115.203 115.700 0.213 0.000 2.402 109 S HA -0.221 4.250 4.470 0.001 0.000 0.233 109 S C 2.102 176.821 174.600 0.199 0.000 1.030 109 S CA 1.768 60.073 58.200 0.174 0.000 1.003 109 S CB -0.239 63.058 63.200 0.161 0.000 0.813 109 S HN 0.725 nan 8.310 nan 0.000 0.477 110 Q N 0.056 120.000 119.800 0.239 0.000 2.137 110 Q HA -0.022 4.319 4.340 0.001 0.000 0.198 110 Q C 1.565 177.721 176.000 0.260 0.000 0.960 110 Q CA 1.365 57.319 55.803 0.251 0.000 0.847 110 Q CB -0.522 28.387 28.738 0.283 0.000 0.915 110 Q HN 0.530 nan 8.270 nan 0.000 0.448 111 Y N 0.491 120.842 120.300 0.086 0.000 2.081 111 Y HA -0.254 4.297 4.550 0.001 0.000 0.280 111 Y C 2.015 177.876 175.900 -0.065 0.000 1.163 111 Y CA 1.707 59.753 58.100 -0.091 0.000 1.135 111 Y CB -0.476 38.032 38.460 0.080 0.000 0.970 111 Y HN 0.115 nan 8.280 nan 0.000 0.498 112 L N -1.260 120.125 121.223 0.271 0.000 1.989 112 L HA -0.314 4.027 4.340 0.001 0.000 0.211 112 L C 2.618 179.608 176.870 0.200 0.000 1.071 112 L CA 2.042 57.021 54.840 0.232 0.000 0.749 112 L CB -0.951 41.222 42.059 0.190 0.000 0.890 112 L HN 0.405 nan 8.230 nan 0.000 0.431 113 H N -0.009 119.127 119.070 0.110 0.000 2.290 113 H HA -0.226 4.331 4.556 0.001 0.000 0.298 113 H C 1.919 177.309 175.328 0.103 0.000 1.087 113 H CA 2.180 58.283 56.048 0.091 0.000 1.291 113 H CB 0.053 29.856 29.762 0.069 0.000 1.369 113 H HN 0.316 nan 8.280 nan 0.000 0.492 114 D N -0.204 120.290 120.400 0.158 0.000 2.084 114 D HA -0.162 4.479 4.640 0.001 0.000 0.194 114 D C 2.155 178.551 176.300 0.160 0.000 0.990 114 D CA 1.119 55.186 54.000 0.112 0.000 0.826 114 D CB -0.286 40.541 40.800 0.044 0.000 0.971 114 D HN 0.458 nan 8.370 nan 0.000 0.453 115 H N 0.242 119.381 119.070 0.116 0.000 2.352 115 H HA -0.031 4.525 4.556 0.001 0.000 0.299 115 H C 2.310 177.646 175.328 0.013 0.000 1.097 115 H CA 0.478 56.609 56.048 0.138 0.000 1.311 115 H CB -0.602 29.304 29.762 0.239 0.000 1.377 115 H HN 0.202 nan 8.280 nan 0.000 0.504 116 L N -0.324 120.936 121.223 0.062 0.000 2.056 116 L HA -0.128 4.213 4.340 0.001 0.000 0.207 116 L C 2.362 179.214 176.870 -0.029 0.000 1.078 116 L CA 0.658 55.441 54.840 -0.095 0.000 0.749 116 L CB -0.131 41.938 42.059 0.017 0.000 0.901 116 L HN 0.104 nan 8.230 nan 0.000 0.433 117 V N -0.921 118.972 119.914 -0.035 0.000 2.427 117 V HA -0.305 3.816 4.120 0.001 0.000 0.248 117 V C 2.417 178.542 176.094 0.053 0.000 1.051 117 V CA 1.719 64.032 62.300 0.022 0.000 1.048 117 V CB -0.789 31.005 31.823 -0.048 0.000 0.666 117 V HN 0.557 nan 8.190 nan 0.000 0.456 118 H N -0.760 118.329 119.070 0.031 0.000 2.326 118 H HA -0.206 4.351 4.556 0.001 0.000 0.301 118 H C 2.306 177.660 175.328 0.043 0.000 1.081 118 H CA 2.280 58.360 56.048 0.053 0.000 1.334 118 H CB -0.150 29.675 29.762 0.105 0.000 1.385 118 H HN 0.405 nan 8.280 nan 0.000 0.504 119 F N 0.887 120.739 119.950 -0.163 0.000 2.046 119 F HA -0.256 4.271 4.527 0.001 0.000 0.297 119 F C 2.018 177.591 175.800 -0.378 0.000 1.123 119 F CA 1.854 59.685 58.000 -0.282 0.000 1.199 119 F CB -0.876 37.847 39.000 -0.461 0.000 0.972 119 F HN 0.106 nan 8.300 nan 0.000 0.474 120 Y N -0.957 119.172 120.300 -0.286 0.000 2.206 120 Y HA -0.139 4.412 4.550 0.001 0.000 0.292 120 Y C 2.525 178.168 175.900 -0.428 0.000 1.123 120 Y CA 2.089 59.925 58.100 -0.441 0.000 1.142 120 Y CB -0.670 37.430 38.460 -0.599 0.000 1.006 120 Y HN 0.147 nan 8.280 nan 0.000 0.518 121 H N -1.469 117.573 119.070 -0.045 0.000 2.562 121 H HA 0.142 4.698 4.556 0.001 0.000 0.267 121 H C 1.467 176.768 175.328 -0.045 0.000 0.959 121 H CA 0.728 56.719 56.048 -0.094 0.000 1.204 121 H CB 0.285 29.930 29.762 -0.195 0.000 1.430 121 H HN 0.230 nan 8.280 nan 0.000 0.545 122 L N -1.644 119.530 121.223 -0.082 0.000 2.445 122 L HA 0.119 4.460 4.340 0.001 0.000 0.207 122 L C 1.965 178.604 176.870 -0.384 0.000 1.053 122 L CA 0.541 55.245 54.840 -0.226 0.000 0.841 122 L CB -0.085 41.848 42.059 -0.209 0.000 1.074 122 L HN 0.313 nan 8.230 nan 0.000 0.479 123 H N 0.137 118.879 119.070 -0.548 0.000 2.418 123 H HA 0.123 4.680 4.556 0.001 0.000 0.300 123 H C 2.285 177.480 175.328 -0.222 0.000 1.041 123 H CA 0.734 56.523 56.048 -0.432 0.000 1.364 123 H CB 0.598 30.074 29.762 -0.476 0.000 1.439 123 H HN 0.250 nan 8.280 nan 0.000 0.540 124 A N 1.168 123.839 122.820 -0.248 0.000 1.986 124 A HA -0.157 4.164 4.320 0.001 0.000 0.220 124 A C 2.203 179.786 177.584 -0.002 0.000 1.171 124 A CA 1.092 52.985 52.037 -0.241 0.000 0.640 124 A CB -0.799 17.997 19.000 -0.339 0.000 0.811 124 A HN 0.426 nan 8.150 nan 0.000 0.451 125 L N -0.448 120.823 121.223 0.079 0.000 2.549 125 L HA -0.123 4.217 4.340 0.001 0.000 0.229 125 L C 1.141 178.144 176.870 0.221 0.000 1.158 125 L CA 0.668 55.633 54.840 0.209 0.000 0.842 125 L CB -0.434 41.804 42.059 0.299 0.000 0.952 125 L HN 0.299 nan 8.230 nan 0.000 0.452 126 D N -1.165 119.194 120.400 -0.068 0.000 2.323 126 D HA -0.099 4.542 4.640 0.001 0.000 0.209 126 D C 1.520 177.269 176.300 -0.918 0.000 0.973 126 D CA 0.983 54.718 54.000 -0.441 0.000 0.874 126 D CB 0.104 40.462 40.800 -0.737 0.000 0.930 126 D HN 0.395 nan 8.370 nan 0.000 0.521 127 W N -0.048 120.998 121.300 -0.424 0.000 2.873 127 W HA 0.249 4.910 4.660 0.001 0.000 0.282 127 W C 0.117 176.575 176.519 -0.102 0.000 1.118 127 W CA -0.151 56.847 57.345 -0.578 0.000 1.480 127 W CB 0.637 29.683 29.460 -0.691 0.000 0.954 127 W HN -0.369 nan 8.180 nan 0.000 0.591 128 V N 2.314 122.363 119.914 0.226 0.000 2.417 128 V HA 0.172 4.293 4.120 0.001 0.000 0.291 128 V C -0.628 175.396 176.094 -0.115 0.000 1.024 128 V CA -0.607 61.750 62.300 0.095 0.000 0.861 128 V CB 1.472 33.285 31.823 -0.017 0.000 0.985 128 V HN -0.147 nan 8.190 nan 0.000 0.436 129 D N 4.390 124.611 120.400 -0.298 0.000 2.441 129 D HA 0.194 4.835 4.640 0.001 0.000 0.221 129 D C 0.913 176.661 176.300 -0.920 0.000 1.156 129 D CA -0.140 53.312 54.000 -0.915 0.000 0.896 129 D CB 1.677 42.167 40.800 -0.518 0.000 1.028 129 D HN 0.234 nan 8.370 nan 0.000 0.509 130 V N 3.326 122.438 119.914 -1.337 0.000 2.407 130 V HA -0.248 3.872 4.120 0.001 0.000 0.248 130 V C 2.518 178.262 176.094 -0.582 0.000 1.055 130 V CA 2.385 64.188 62.300 -0.829 0.000 1.049 130 V CB -0.913 30.354 31.823 -0.927 0.000 0.662 130 V HN 0.718 nan 8.190 nan 0.000 0.455 131 T N -1.301 112.923 114.554 -0.550 0.000 2.995 131 T HA 0.008 4.358 4.350 0.001 0.000 0.269 131 T C 1.805 176.386 174.700 -0.199 0.000 1.091 131 T CA 1.097 63.050 62.100 -0.245 0.000 1.128 131 T CB -0.272 68.558 68.868 -0.063 0.000 0.891 131 T HN 0.468 nan 8.240 nan 0.000 0.492 132 A N 1.304 123.973 122.820 -0.253 0.000 2.119 132 A HA 0.563 4.884 4.320 0.001 0.000 0.216 132 A C 2.660 180.153 177.584 -0.152 0.000 1.152 132 A CA 1.039 52.976 52.037 -0.168 0.000 0.708 132 A CB -1.004 17.900 19.000 -0.161 0.000 0.805 132 A HN 0.645 nan 8.150 nan 0.000 0.460 133 A N 0.102 122.808 122.820 -0.191 0.000 2.019 133 A HA -0.033 4.288 4.320 0.001 0.000 0.219 133 A C 1.953 179.472 177.584 -0.110 0.000 1.164 133 A CA 1.259 53.205 52.037 -0.152 0.000 0.644 133 A CB -0.558 18.335 19.000 -0.178 0.000 0.805 133 A HN 0.491 nan 8.150 nan 0.000 0.449 134 L N -1.200 119.960 121.223 -0.106 0.000 2.353 134 L HA -0.165 4.175 4.340 0.001 0.000 0.220 134 L C 2.071 178.911 176.870 -0.051 0.000 1.133 134 L CA 1.358 56.158 54.840 -0.067 0.000 0.798 134 L CB -0.320 41.706 42.059 -0.055 0.000 0.922 134 L HN 0.378 nan 8.230 nan 0.000 0.445 135 K N 0.130 120.497 120.400 -0.056 0.000 2.356 135 K HA 0.189 4.510 4.320 0.001 0.000 0.195 135 K C 0.955 177.532 176.600 -0.038 0.000 1.037 135 K CA 0.081 56.344 56.287 -0.041 0.000 1.014 135 K CB 0.157 32.633 32.500 -0.039 0.000 0.815 135 K HN 0.164 nan 8.250 nan 0.000 0.507 136 A N 2.221 125.012 122.820 -0.048 0.000 2.483 136 A HA -0.032 4.289 4.320 0.001 0.000 0.238 136 A C -0.239 177.327 177.584 -0.031 0.000 1.070 136 A CA -0.111 51.900 52.037 -0.043 0.000 0.770 136 A CB 0.150 19.117 19.000 -0.055 0.000 1.008 136 A HN 0.198 nan 8.150 nan 0.000 0.497 137 D N 2.596 122.982 120.400 -0.024 0.000 2.280 137 D HA 0.282 4.922 4.640 0.001 0.000 0.243 137 D C -1.851 174.439 176.300 -0.017 0.000 1.129 137 D CA -1.701 52.289 54.000 -0.017 0.000 0.848 137 D CB 1.457 42.251 40.800 -0.011 0.000 1.107 137 D HN 0.108 nan 8.370 nan 0.000 0.471 138 P HA -0.136 nan 4.420 nan 0.000 0.215 138 P C 1.035 178.329 177.300 -0.010 0.000 1.157 138 P CA 0.924 64.015 63.100 -0.015 0.000 0.868 138 P CB 0.327 32.021 31.700 -0.011 0.000 0.788 139 N N -0.098 118.599 118.700 -0.006 0.000 2.036 139 N HA -0.184 4.557 4.740 0.001 0.000 0.195 139 N C 1.521 177.030 175.510 -0.002 0.000 1.037 139 N CA 1.442 54.490 53.050 -0.003 0.000 0.855 139 N CB -0.682 37.804 38.487 -0.002 0.000 1.033 139 N HN 0.276 nan 8.380 nan 0.000 0.423 140 K N 0.730 121.128 120.400 -0.004 0.000 2.026 140 K HA 0.022 4.342 4.320 0.001 0.000 0.208 140 K C 2.161 178.760 176.600 -0.002 0.000 1.048 140 K CA 1.199 57.485 56.287 -0.001 0.000 0.929 140 K CB -0.223 32.276 32.500 -0.002 0.000 0.713 140 K HN 0.152 nan 8.250 nan 0.000 0.439 141 A N 1.666 124.480 122.820 -0.010 0.000 1.908 141 A HA -0.190 4.131 4.320 0.001 0.000 0.218 141 A C 2.382 179.962 177.584 -0.006 0.000 1.181 141 A CA 2.069 54.097 52.037 -0.014 0.000 0.627 141 A CB -0.715 18.267 19.000 -0.030 0.000 0.818 141 A HN 0.369 nan 8.150 nan 0.000 0.445 142 A N -0.583 122.235 122.820 -0.003 0.000 1.898 142 A HA -0.134 4.187 4.320 0.001 0.000 0.216 142 A C 2.120 179.709 177.584 0.009 0.000 1.181 142 A CA 1.734 53.774 52.037 0.004 0.000 0.620 142 A CB -0.411 18.592 19.000 0.005 0.000 0.819 142 A HN 0.513 nan 8.150 nan 0.000 0.442 143 K N -1.036 119.368 120.400 0.007 0.000 2.147 143 K HA -0.107 4.213 4.320 0.001 0.000 0.205 143 K C 1.864 178.472 176.600 0.013 0.000 1.049 143 K CA 1.281 57.573 56.287 0.009 0.000 0.936 143 K CB -0.252 32.252 32.500 0.007 0.000 0.722 143 K HN 0.418 nan 8.250 nan 0.000 0.446 144 L N 0.619 121.851 121.223 0.016 0.000 2.044 144 L HA -0.016 4.325 4.340 0.001 0.000 0.205 144 L C 2.117 179.004 176.870 0.028 0.000 1.075 144 L CA 1.679 56.534 54.840 0.025 0.000 0.747 144 L CB -0.644 41.432 42.059 0.029 0.000 0.903 144 L HN 0.048 nan 8.230 nan 0.000 0.435 145 A N -0.369 122.466 122.820 0.025 0.000 1.972 145 A HA -0.070 4.251 4.320 0.001 0.000 0.219 145 A C 2.371 179.975 177.584 0.034 0.000 1.169 145 A CA 1.540 53.599 52.037 0.037 0.000 0.635 145 A CB -1.081 17.943 19.000 0.040 0.000 0.810 145 A HN 0.563 nan 8.150 nan 0.000 0.446 146 A N -0.033 122.801 122.820 0.024 0.000 2.121 146 A HA 0.022 4.342 4.320 0.001 0.000 0.218 146 A C 2.283 179.874 177.584 0.011 0.000 1.154 146 A CA 1.975 54.022 52.037 0.016 0.000 0.679 146 A CB -0.512 18.495 19.000 0.012 0.000 0.795 146 A HN 0.971 nan 8.150 nan 0.000 0.458 147 S N -0.787 114.921 115.700 0.013 0.000 2.505 147 S HA 0.134 4.605 4.470 0.001 0.000 0.216 147 S C 1.393 175.996 174.600 0.006 0.000 1.018 147 S CA 0.430 58.634 58.200 0.007 0.000 0.911 147 S CB -0.463 62.742 63.200 0.008 0.000 0.818 147 S HN 0.842 nan 8.310 nan 0.000 0.497 148 I N -1.268 119.311 120.570 0.016 0.000 4.018 148 I HA 0.742 4.912 4.170 0.001 0.000 0.337 148 I C 0.218 176.341 176.117 0.010 0.000 1.327 148 I CA -0.449 60.861 61.300 0.015 0.000 1.100 148 I CB 0.700 38.724 38.000 0.039 0.000 1.025 148 I HN 0.316 nan 8.210 nan 0.000 0.396 149 A N 0.780 123.607 122.820 0.011 0.000 2.612 149 A HA 0.795 5.115 4.320 0.001 0.000 0.293 149 A C -2.938 174.645 177.584 -0.002 0.000 1.075 149 A CA -1.242 50.799 52.037 0.005 0.000 0.680 149 A CB 0.288 19.311 19.000 0.039 0.000 1.279 149 A HN -0.009 nan 8.150 nan 0.000 0.411 150 P HA 0.392 nan 4.420 nan 0.000 0.269 150 P C 0.086 177.382 177.300 -0.006 0.000 1.209 150 P CA 0.276 63.364 63.100 -0.020 0.000 0.776 150 P CB 0.578 32.256 31.700 -0.036 0.000 0.876 151 A N 3.667 126.485 122.820 -0.004 0.000 2.531 151 A HA 0.399 4.719 4.320 0.001 0.000 0.236 151 A C 0.529 178.117 177.584 0.007 0.000 1.062 151 A CA 0.340 52.380 52.037 0.004 0.000 0.760 151 A CB -0.261 18.740 19.000 0.001 0.000 0.995 151 A HN 0.743 nan 8.150 nan 0.000 0.501 152 R N 1.561 122.072 120.500 0.018 0.000 2.664 152 R HA 0.348 4.689 4.340 0.001 0.000 0.260 152 R C -2.956 173.363 176.300 0.032 0.000 1.062 152 R CA -1.175 54.938 56.100 0.022 0.000 0.902 152 R CB 0.585 30.899 30.300 0.022 0.000 1.258 152 R HN 0.362 nan 8.270 nan 0.000 0.465 153 P HA -0.079 nan 4.420 nan 0.000 0.218 153 P C 1.257 178.580 177.300 0.037 0.000 1.149 153 P CA 1.781 64.898 63.100 0.027 0.000 0.817 153 P CB -0.073 31.640 31.700 0.021 0.000 0.785 154 G N -0.344 108.487 108.800 0.053 0.000 2.625 154 G HA2 -0.170 3.790 3.960 0.001 0.000 0.214 154 G HA3 -0.170 3.790 3.960 0.001 0.000 0.214 154 G C 1.194 176.154 174.900 0.101 0.000 1.132 154 G CA 0.250 45.395 45.100 0.076 0.000 0.782 154 G HN 0.244 nan 8.290 nan 0.000 0.538 155 N N 0.026 118.780 118.700 0.089 0.000 2.214 155 N HA 0.110 4.850 4.740 0.001 0.000 0.214 155 N C 0.808 176.344 175.510 0.043 0.000 1.132 155 N CA -0.009 53.093 53.050 0.087 0.000 0.856 155 N CB 0.738 39.288 38.487 0.105 0.000 1.020 155 N HN 0.309 nan 8.380 nan 0.000 0.509 156 S N -0.822 114.899 115.700 0.034 0.000 2.614 156 S HA 0.524 4.995 4.470 0.001 0.000 0.265 156 S C 1.630 176.238 174.600 0.013 0.000 1.303 156 S CA -0.205 58.007 58.200 0.020 0.000 1.000 156 S CB 1.671 64.881 63.200 0.018 0.000 0.935 156 S HN 0.151 nan 8.310 nan 0.000 0.551 157 A N 1.920 124.745 122.820 0.008 0.000 1.884 157 A HA -0.195 4.126 4.320 0.001 0.000 0.219 157 A C 2.174 179.759 177.584 0.003 0.000 1.197 157 A CA 2.166 54.205 52.037 0.003 0.000 0.637 157 A CB -1.174 17.828 19.000 0.002 0.000 0.827 157 A HN 0.986 nan 8.150 nan 0.000 0.450 158 K N -0.548 119.855 120.400 0.005 0.000 2.032 158 K HA -0.136 4.185 4.320 0.001 0.000 0.209 158 K C 2.184 178.788 176.600 0.006 0.000 1.048 158 K CA 1.482 57.772 56.287 0.005 0.000 0.927 158 K CB -0.387 32.117 32.500 0.006 0.000 0.712 158 K HN 0.383 nan 8.250 nan 0.000 0.441 159 A N 1.150 123.976 122.820 0.009 0.000 1.902 159 A HA -0.125 4.196 4.320 0.001 0.000 0.217 159 A C 2.140 179.727 177.584 0.006 0.000 1.181 159 A CA 1.430 53.474 52.037 0.011 0.000 0.623 159 A CB -0.626 18.387 19.000 0.022 0.000 0.818 159 A HN 0.339 nan 8.150 nan 0.000 0.443 160 L N -0.830 120.394 121.223 0.002 0.000 2.093 160 L HA -0.184 4.157 4.340 0.001 0.000 0.208 160 L C 2.591 179.452 176.870 -0.015 0.000 1.085 160 L CA 1.864 56.697 54.840 -0.012 0.000 0.755 160 L CB -0.441 41.606 42.059 -0.020 0.000 0.904 160 L HN 0.455 nan 8.230 nan 0.000 0.435 161 K N 0.559 120.954 120.400 -0.009 0.000 2.032 161 K HA -0.204 4.116 4.320 0.001 0.000 0.209 161 K C 2.182 178.779 176.600 -0.004 0.000 1.048 161 K CA 1.498 57.781 56.287 -0.007 0.000 0.927 161 K CB -0.166 32.332 32.500 -0.003 0.000 0.712 161 K HN 0.244 nan 8.250 nan 0.000 0.441 162 A N 0.510 123.330 122.820 -0.000 0.000 1.908 162 A HA -0.145 4.175 4.320 0.001 0.000 0.218 162 A C 2.279 179.864 177.584 0.002 0.000 1.181 162 A CA 1.861 53.900 52.037 0.003 0.000 0.627 162 A CB -0.821 18.182 19.000 0.004 0.000 0.818 162 A HN 0.196 nan 8.150 nan 0.000 0.445 163 V N -0.140 119.772 119.914 -0.004 0.000 2.332 163 V HA -0.330 3.790 4.120 0.001 0.000 0.248 163 V C 2.729 178.815 176.094 -0.014 0.000 1.055 163 V CA 2.433 64.728 62.300 -0.009 0.000 1.038 163 V CB -0.719 31.096 31.823 -0.014 0.000 0.651 163 V HN 0.771 nan 8.190 nan 0.000 0.450 164 Q N -0.502 119.287 119.800 -0.018 0.000 2.046 164 Q HA -0.239 4.102 4.340 0.001 0.000 0.200 164 Q C 1.969 177.967 176.000 -0.003 0.000 0.975 164 Q CA 1.977 57.767 55.803 -0.022 0.000 0.836 164 Q CB -0.085 28.638 28.738 -0.025 0.000 0.896 164 Q HN 0.627 nan 8.270 nan 0.000 0.428 165 D N 0.218 120.620 120.400 0.005 0.000 2.144 165 D HA -0.137 4.503 4.640 0.001 0.000 0.199 165 D C 1.632 177.952 176.300 0.034 0.000 0.984 165 D CA 1.063 55.073 54.000 0.017 0.000 0.834 165 D CB -0.023 40.786 40.800 0.015 0.000 0.955 165 D HN 0.168 nan 8.370 nan 0.000 0.465 166 K N -0.077 120.343 120.400 0.033 0.000 2.002 166 K HA -0.108 4.213 4.320 0.001 0.000 0.209 166 K C 2.108 178.760 176.600 0.087 0.000 1.048 166 K CA 0.591 56.910 56.287 0.054 0.000 0.930 166 K CB -0.262 32.258 32.500 0.033 0.000 0.714 166 K HN -0.026 nan 8.250 nan 0.000 0.438 167 L N 1.425 122.680 121.223 0.054 0.000 2.012 167 L HA -0.233 4.108 4.340 0.001 0.000 0.210 167 L C 2.291 179.237 176.870 0.126 0.000 1.073 167 L CA 1.745 56.629 54.840 0.073 0.000 0.748 167 L CB -0.329 41.720 42.059 -0.017 0.000 0.891 167 L HN 0.116 nan 8.230 nan 0.000 0.431 168 K N -1.023 119.418 120.400 0.069 0.000 2.009 168 K HA -0.230 4.090 4.320 0.001 0.000 0.210 168 K C 2.069 178.716 176.600 0.078 0.000 1.049 168 K CA 1.482 57.803 56.287 0.057 0.000 0.929 168 K CB -0.300 32.216 32.500 0.028 0.000 0.714 168 K HN 0.364 nan 8.250 nan 0.000 0.440 169 A N 0.825 123.697 122.820 0.087 0.000 1.884 169 A HA -0.242 4.079 4.320 0.001 0.000 0.219 169 A C 2.074 179.729 177.584 0.119 0.000 1.197 169 A CA 1.891 53.980 52.037 0.087 0.000 0.637 169 A CB -1.068 17.985 19.000 0.090 0.000 0.827 169 A HN 0.540 nan 8.150 nan 0.000 0.450 170 F N 0.665 120.637 119.950 0.036 0.000 2.095 170 F HA -0.192 4.336 4.527 0.001 0.000 0.298 170 F C 2.285 178.119 175.800 0.057 0.000 1.104 170 F CA 2.181 60.215 58.000 0.057 0.000 1.232 170 F CB -0.361 38.692 39.000 0.088 0.000 0.987 170 F HN 0.033 nan 8.300 nan 0.000 0.475 171 V N 0.066 120.058 119.914 0.129 0.000 2.427 171 V HA -0.269 3.852 4.120 0.001 0.000 0.248 171 V C 2.057 178.120 176.094 -0.052 0.000 1.051 171 V CA 2.240 64.553 62.300 0.023 0.000 1.048 171 V CB -0.647 31.226 31.823 0.085 0.000 0.666 171 V HN 0.335 nan 8.190 nan 0.000 0.456 172 E N 0.315 120.500 120.200 -0.026 0.000 2.427 172 E HA -0.101 4.249 4.350 0.001 0.000 0.196 172 E C 2.240 178.805 176.600 -0.058 0.000 1.028 172 E CA 0.923 57.304 56.400 -0.031 0.000 0.864 172 E CB -0.084 29.612 29.700 -0.008 0.000 0.813 172 E HN 0.743 nan 8.360 nan 0.000 0.514 173 S N -0.470 115.170 115.700 -0.099 0.000 2.419 173 S HA -0.079 4.391 4.470 0.001 0.000 0.233 173 S C 1.873 176.398 174.600 -0.126 0.000 1.016 173 S CA 0.924 59.055 58.200 -0.116 0.000 0.974 173 S CB -0.218 62.880 63.200 -0.170 0.000 0.786 173 S HN 0.380 nan 8.310 nan 0.000 0.492 174 G N 0.266 108.977 108.800 -0.149 0.000 2.176 174 G HA2 -0.245 3.716 3.960 0.001 0.000 0.253 174 G HA3 -0.245 3.716 3.960 0.001 0.000 0.253 174 G C -0.091 174.723 174.900 -0.144 0.000 0.979 174 G CA 0.263 45.294 45.100 -0.116 0.000 0.641 174 G HN 0.641 nan 8.290 nan 0.000 0.530 175 Q N 0.051 119.706 119.800 -0.241 0.000 2.509 175 Q HA 0.602 4.943 4.340 0.001 0.000 0.236 175 Q C 1.405 177.138 176.000 -0.445 0.000 1.073 175 Q CA -0.572 55.084 55.803 -0.244 0.000 0.867 175 Q CB 0.932 29.559 28.738 -0.184 0.000 1.181 175 Q HN 0.382 nan 8.270 nan 0.000 0.526 176 L N 1.132 122.231 121.223 -0.206 0.000 2.478 176 L HA 0.003 4.344 4.340 0.001 0.000 0.223 176 L C 1.341 178.400 176.870 0.315 0.000 1.140 176 L CA 0.706 55.550 54.840 0.008 0.000 0.842 176 L CB -0.613 41.534 42.059 0.147 0.000 0.953 176 L HN 0.966 nan 8.230 nan 0.000 0.452 177 G N 2.289 111.182 108.800 0.155 0.000 2.629 177 G HA2 -0.434 3.526 3.960 0.001 0.000 0.313 177 G HA3 -0.434 3.526 3.960 0.001 0.000 0.313 177 G C 0.805 175.732 174.900 0.044 0.000 1.217 177 G CA 0.665 45.867 45.100 0.168 0.000 0.994 177 G HN 0.469 nan 8.290 nan 0.000 0.549 178 I N -1.890 118.604 120.570 -0.126 0.000 3.334 178 I HA 0.323 4.494 4.170 0.001 0.000 0.282 178 I C 1.849 177.781 176.117 -0.309 0.000 1.313 178 I CA 1.344 62.475 61.300 -0.281 0.000 1.396 178 I CB -0.300 37.459 38.000 -0.401 0.000 1.054 178 I HN 0.164 nan 8.210 nan 0.000 0.495 179 F N 1.072 121.090 119.950 0.114 0.000 2.695 179 F HA 0.249 4.776 4.527 0.001 0.000 0.303 179 F C 1.144 176.937 175.800 -0.012 0.000 1.091 179 F CA -0.513 57.525 58.000 0.063 0.000 1.300 179 F CB -0.822 38.292 39.000 0.190 0.000 1.071 179 F HN -0.150 nan 8.300 nan 0.000 0.578 180 T N 2.750 117.374 114.554 0.117 0.000 2.831 180 T HA -0.060 4.291 4.350 0.001 0.000 0.291 180 T C 0.632 175.326 174.700 -0.009 0.000 0.981 180 T CA 0.386 62.515 62.100 0.048 0.000 1.174 180 T CB -0.168 68.715 68.868 0.025 0.000 0.929 180 T HN 0.293 nan 8.240 nan 0.000 0.532 181 N N -0.257 118.433 118.700 -0.016 0.000 2.741 181 N HA -0.169 4.571 4.740 0.001 0.000 0.251 181 N C 0.217 175.659 175.510 -0.112 0.000 1.112 181 N CA 0.859 53.889 53.050 -0.033 0.000 0.750 181 N CB -1.617 36.865 38.487 -0.008 0.000 1.119 181 N HN 0.917 nan 8.380 nan 0.000 0.561 182 A N -0.362 122.319 122.820 -0.231 0.000 2.507 182 A HA 0.173 4.493 4.320 0.001 0.000 0.235 182 A C 1.106 178.431 177.584 -0.432 0.000 1.070 182 A CA 0.159 51.875 52.037 -0.535 0.000 0.768 182 A CB 0.111 18.483 19.000 -1.046 0.000 1.011 182 A HN 0.225 nan 8.150 nan 0.000 0.502 183 Y N 1.207 121.245 120.300 -0.437 0.000 2.497 183 Y HA -0.109 4.442 4.550 0.001 0.000 0.292 183 Y C 1.649 177.423 175.900 -0.210 0.000 1.137 183 Y CA 1.350 59.333 58.100 -0.195 0.000 1.285 183 Y CB -0.798 37.626 38.460 -0.061 0.000 0.991 183 Y HN 0.783 nan 8.280 nan 0.000 0.556 184 F N -1.750 118.125 119.950 -0.125 0.000 2.797 184 F HA 0.237 4.765 4.527 0.001 0.000 0.302 184 F C 0.344 176.040 175.800 -0.174 0.000 1.130 184 F CA -0.847 56.905 58.000 -0.413 0.000 1.387 184 F CB -1.288 37.183 39.000 -0.882 0.000 1.107 184 F HN -0.285 nan 8.300 nan 0.000 0.577 185 L N 2.290 123.500 121.223 -0.022 0.000 2.477 185 L HA 0.320 4.661 4.340 0.001 0.000 0.272 185 L C 1.394 178.301 176.870 0.062 0.000 1.157 185 L CA 0.770 55.644 54.840 0.058 0.000 0.889 185 L CB 0.020 42.073 42.059 -0.011 0.000 1.158 185 L HN 0.651 nan 8.230 nan 0.000 0.473 186 G N 2.133 110.971 108.800 0.064 0.000 2.175 186 G HA2 -0.050 3.910 3.960 0.001 0.000 0.244 186 G HA3 -0.050 3.910 3.960 0.001 0.000 0.244 186 G C 0.530 175.462 174.900 0.054 0.000 0.982 186 G CA -0.014 45.114 45.100 0.046 0.000 0.641 186 G HN 1.443 nan 8.290 nan 0.000 0.527 187 G N -1.198 107.646 108.800 0.073 0.000 2.690 187 G HA2 0.404 4.364 3.960 0.001 0.000 0.686 187 G HA3 0.404 4.364 3.960 0.001 0.000 0.686 187 G C -0.889 174.111 174.900 0.167 0.000 1.277 187 G CA 0.386 45.540 45.100 0.090 0.000 0.799 187 G HN 2.026 nan 8.290 nan 0.000 0.613 188 H N 0.963 120.099 119.070 0.110 0.000 3.137 188 H HA 0.271 4.828 4.556 0.001 0.000 0.336 188 H C 1.121 176.617 175.328 0.280 0.000 1.055 188 H CA -0.452 55.713 56.048 0.196 0.000 1.349 188 H CB 1.211 31.135 29.762 0.271 0.000 1.939 188 H HN 0.584 nan 8.280 nan 0.000 0.487 189 K N 2.381 122.922 120.400 0.235 0.000 2.211 189 K HA -0.078 4.243 4.320 0.001 0.000 0.204 189 K C 1.609 178.526 176.600 0.528 0.000 1.047 189 K CA 1.345 57.815 56.287 0.306 0.000 0.935 189 K CB 0.223 32.820 32.500 0.162 0.000 0.728 189 K HN 0.477 nan 8.250 nan 0.000 0.452 190 A N 0.262 123.508 122.820 0.709 0.000 2.206 190 A HA -0.050 4.270 4.320 0.001 0.000 0.211 190 A C 0.066 177.715 177.584 0.109 0.000 1.158 190 A CA 0.435 52.736 52.037 0.439 0.000 0.761 190 A CB -0.129 19.049 19.000 0.297 0.000 0.801 190 A HN 0.165 nan 8.150 nan 0.000 0.473 191 Y N -0.256 120.206 120.300 0.270 0.000 2.454 191 Y HA 0.339 4.889 4.550 0.001 0.000 0.345 191 Y C 0.468 176.534 175.900 0.276 0.000 0.970 191 Y CA -0.455 57.765 58.100 0.200 0.000 1.204 191 Y CB 0.477 39.033 38.460 0.160 0.000 1.122 191 Y HN 0.295 nan 8.280 nan 0.000 0.514 192 Y N 1.118 121.503 120.300 0.141 0.000 2.503 192 Y HA 0.139 4.690 4.550 0.001 0.000 0.278 192 Y C 0.761 176.549 175.900 -0.187 0.000 1.111 192 Y CA -0.610 57.428 58.100 -0.102 0.000 1.270 192 Y CB -0.392 37.827 38.460 -0.403 0.000 1.063 192 Y HN 0.324 nan 8.280 nan 0.000 0.548 193 L N 3.013 124.202 121.223 -0.056 0.000 2.456 193 L HA 0.134 4.474 4.340 0.001 0.000 0.272 193 L C -2.011 174.687 176.870 -0.286 0.000 1.189 193 L CA -1.801 52.818 54.840 -0.368 0.000 0.846 193 L CB -0.137 41.790 42.059 -0.221 0.000 1.111 193 L HN -0.117 nan 8.230 nan 0.000 0.475 194 P HA 0.090 nan 4.420 nan 0.000 0.269 194 P C -2.085 175.124 177.300 -0.153 0.000 1.209 194 P CA -1.180 61.800 63.100 -0.199 0.000 0.776 194 P CB 0.110 31.713 31.700 -0.162 0.000 0.876 195 P HA -0.211 nan 4.420 nan 0.000 0.216 195 P C 1.164 178.409 177.300 -0.093 0.000 1.150 195 P CA 1.551 64.595 63.100 -0.093 0.000 0.843 195 P CB 0.051 31.710 31.700 -0.067 0.000 0.787 196 E N -0.783 119.372 120.200 -0.075 0.000 2.058 196 E HA -0.131 4.220 4.350 0.001 0.000 0.194 196 E C 1.995 178.550 176.600 -0.074 0.000 0.997 196 E CA 1.058 57.421 56.400 -0.061 0.000 0.801 196 E CB -1.279 28.403 29.700 -0.031 0.000 0.746 196 E HN 0.036 nan 8.360 nan 0.000 0.450 197 V N 1.715 121.572 119.914 -0.095 0.000 2.407 197 V HA -0.253 3.868 4.120 0.001 0.000 0.248 197 V C 1.803 177.840 176.094 -0.095 0.000 1.055 197 V CA 1.654 63.899 62.300 -0.092 0.000 1.049 197 V CB -0.586 31.144 31.823 -0.154 0.000 0.662 197 V HN 0.279 nan 8.190 nan 0.000 0.455 198 N N 0.235 118.863 118.700 -0.119 0.000 2.069 198 N HA -0.166 4.574 4.740 0.001 0.000 0.191 198 N C 1.737 177.167 175.510 -0.134 0.000 1.031 198 N CA 1.507 54.480 53.050 -0.130 0.000 0.852 198 N CB -0.484 37.903 38.487 -0.167 0.000 1.018 198 N HN 0.379 nan 8.380 nan 0.000 0.423 199 L N 1.618 122.767 121.223 -0.124 0.000 1.994 199 L HA -0.051 4.290 4.340 0.001 0.000 0.208 199 L C 2.096 178.886 176.870 -0.133 0.000 1.071 199 L CA 1.305 56.075 54.840 -0.118 0.000 0.745 199 L CB -0.812 41.191 42.059 -0.094 0.000 0.892 199 L HN 0.104 nan 8.230 nan 0.000 0.431 200 I N -0.279 120.199 120.570 -0.153 0.000 2.091 200 I HA -0.394 3.777 4.170 0.001 0.000 0.239 200 I C 2.643 178.539 176.117 -0.368 0.000 1.061 200 I CA 1.563 62.693 61.300 -0.283 0.000 1.317 200 I CB -0.888 36.979 38.000 -0.222 0.000 1.031 200 I HN 0.404 nan 8.210 nan 0.000 0.401 201 A N 0.297 123.032 122.820 -0.142 0.000 1.903 201 A HA -0.275 4.046 4.320 0.001 0.000 0.219 201 A C 2.384 180.032 177.584 0.107 0.000 1.191 201 A CA 2.840 54.912 52.037 0.058 0.000 0.638 201 A CB -1.275 17.774 19.000 0.080 0.000 0.823 201 A HN 0.460 nan 8.150 nan 0.000 0.451 202 T N 0.003 114.548 114.554 -0.014 0.000 2.777 202 T HA 0.027 4.378 4.350 0.001 0.000 0.266 202 T C 2.249 176.986 174.700 0.062 0.000 1.040 202 T CA 1.567 63.654 62.100 -0.021 0.000 1.141 202 T CB -0.511 68.270 68.868 -0.145 0.000 0.868 202 T HN 0.648 nan 8.240 nan 0.000 0.444 203 A N 1.296 124.113 122.820 -0.006 0.000 1.892 203 A HA -0.233 4.088 4.320 0.001 0.000 0.218 203 A C 1.927 179.618 177.584 0.179 0.000 1.188 203 A CA 1.962 54.023 52.037 0.042 0.000 0.631 203 A CB -1.037 17.949 19.000 -0.022 0.000 0.822 203 A HN 0.736 nan 8.150 nan 0.000 0.447 204 H N -3.674 115.458 119.070 0.103 0.000 2.423 204 H HA -0.121 4.436 4.556 0.001 0.000 0.297 204 H C 2.016 177.285 175.328 -0.099 0.000 1.075 204 H CA 1.313 57.388 56.048 0.045 0.000 1.342 204 H CB -0.129 29.661 29.762 0.047 0.000 1.395 204 H HN 0.693 nan 8.280 nan 0.000 0.530 205 Y N 1.711 122.034 120.300 0.038 0.000 2.181 205 Y HA -0.206 4.345 4.550 0.001 0.000 0.288 205 Y C 2.033 178.011 175.900 0.129 0.000 1.146 205 Y CA 1.192 59.333 58.100 0.067 0.000 1.164 205 Y CB -0.421 38.155 38.460 0.193 0.000 0.982 205 Y HN 0.048 nan 8.280 nan 0.000 0.515 206 L N -0.075 121.373 121.223 0.374 0.000 2.072 206 L HA -0.156 4.185 4.340 0.001 0.000 0.205 206 L C 2.388 179.258 176.870 -0.001 0.000 1.079 206 L CA 1.547 56.510 54.840 0.205 0.000 0.752 206 L CB -0.561 41.578 42.059 0.133 0.000 0.906 206 L HN 0.220 nan 8.230 nan 0.000 0.436 207 E N 0.469 120.658 120.200 -0.019 0.000 2.077 207 E HA -0.226 4.125 4.350 0.001 0.000 0.193 207 E C 2.298 178.708 176.600 -0.317 0.000 0.989 207 E CA 1.215 57.527 56.400 -0.145 0.000 0.800 207 E CB -0.213 29.506 29.700 0.031 0.000 0.746 207 E HN 0.500 nan 8.360 nan 0.000 0.452 208 A N 1.311 123.943 122.820 -0.314 0.000 2.070 208 A HA -0.127 4.194 4.320 0.001 0.000 0.220 208 A C 2.156 179.691 177.584 -0.081 0.000 1.159 208 A CA 0.790 52.568 52.037 -0.432 0.000 0.656 208 A CB -0.533 18.226 19.000 -0.403 0.000 0.800 208 A HN 0.146 nan 8.150 nan 0.000 0.453 209 L N -1.500 119.733 121.223 0.017 0.000 2.131 209 L HA -0.200 4.140 4.340 0.001 0.000 0.210 209 L C 2.405 179.301 176.870 0.043 0.000 1.092 209 L CA 1.370 56.181 54.840 -0.048 0.000 0.759 209 L CB -0.565 41.467 42.059 -0.044 0.000 0.903 209 L HN 0.584 nan 8.230 nan 0.000 0.435 210 H N -2.132 116.838 119.070 -0.167 0.000 2.465 210 H HA -0.064 4.492 4.556 0.001 0.000 0.289 210 H C 2.096 177.313 175.328 -0.185 0.000 1.022 210 H CA 0.629 56.587 56.048 -0.150 0.000 1.340 210 H CB 0.412 30.098 29.762 -0.127 0.000 1.437 210 H HN 0.189 nan 8.280 nan 0.000 0.539 211 M N 1.862 121.348 119.600 -0.189 0.000 2.175 211 M HA -0.146 4.334 4.480 0.001 0.000 0.264 211 M C 2.261 178.479 176.300 -0.137 0.000 1.063 211 M CA 1.537 56.662 55.300 -0.292 0.000 1.119 211 M CB -0.103 32.039 32.600 -0.762 0.000 1.377 211 M HN 0.223 nan 8.290 nan 0.000 0.415 212 Q N -1.216 118.530 119.800 -0.091 0.000 2.167 212 Q HA -0.055 4.286 4.340 0.001 0.000 0.202 212 Q C 1.592 177.671 176.000 0.133 0.000 0.970 212 Q CA 1.979 57.807 55.803 0.041 0.000 0.855 212 Q CB -1.480 27.234 28.738 -0.040 0.000 0.911 212 Q HN 0.366 nan 8.270 nan 0.000 0.438 213 V N 0.991 120.917 119.914 0.020 0.000 2.343 213 V HA -0.261 3.859 4.120 0.001 0.000 0.247 213 V C 2.179 178.269 176.094 -0.008 0.000 1.051 213 V CA 2.226 64.520 62.300 -0.010 0.000 1.036 213 V CB -0.557 31.219 31.823 -0.079 0.000 0.654 213 V HN 0.378 nan 8.190 nan 0.000 0.451 214 K N 0.040 120.431 120.400 -0.016 0.000 2.148 214 K HA -0.023 4.297 4.320 0.001 0.000 0.204 214 K C 2.237 178.840 176.600 0.005 0.000 1.050 214 K CA 1.280 57.557 56.287 -0.017 0.000 0.942 214 K CB -0.319 32.160 32.500 -0.034 0.000 0.724 214 K HN 0.479 nan 8.250 nan 0.000 0.446 215 A N 0.922 123.773 122.820 0.051 0.000 2.014 215 A HA 0.011 4.332 4.320 0.001 0.000 0.218 215 A C 2.199 179.820 177.584 0.062 0.000 1.163 215 A CA 1.490 53.577 52.037 0.084 0.000 0.652 215 A CB -0.345 18.757 19.000 0.170 0.000 0.808 215 A HN 0.301 nan 8.150 nan 0.000 0.449 216 A N -0.846 121.987 122.820 0.022 0.000 2.016 216 A HA 0.096 4.417 4.320 0.001 0.000 0.217 216 A C 2.330 179.877 177.584 -0.062 0.000 1.162 216 A CA 1.527 53.494 52.037 -0.118 0.000 0.662 216 A CB -0.514 18.342 19.000 -0.240 0.000 0.812 216 A HN 0.393 nan 8.150 nan 0.000 0.450 217 S N 0.187 115.870 115.700 -0.028 0.000 2.355 217 S HA -0.048 4.422 4.470 0.001 0.000 0.222 217 S C 2.386 176.997 174.600 0.019 0.000 1.031 217 S CA 1.173 59.364 58.200 -0.015 0.000 0.993 217 S CB -0.494 62.698 63.200 -0.013 0.000 0.859 217 S HN 0.787 nan 8.310 nan 0.000 0.453 218 A N 1.704 124.543 122.820 0.032 0.000 1.884 218 A HA -0.217 4.104 4.320 0.001 0.000 0.219 218 A C 2.164 179.883 177.584 0.225 0.000 1.197 218 A CA 2.135 54.239 52.037 0.112 0.000 0.637 218 A CB -0.772 18.189 19.000 -0.064 0.000 0.827 218 A HN 0.539 nan 8.150 nan 0.000 0.450 219 M N -0.590 119.067 119.600 0.095 0.000 2.213 219 M HA -0.120 4.361 4.480 0.001 0.000 0.263 219 M C 2.104 178.347 176.300 -0.096 0.000 1.062 219 M CA 1.662 56.972 55.300 0.017 0.000 1.105 219 M CB -0.185 32.389 32.600 -0.044 0.000 1.385 219 M HN 0.429 nan 8.290 nan 0.000 0.417 220 A N 0.139 122.918 122.820 -0.069 0.000 2.066 220 A HA -0.038 4.282 4.320 0.001 0.000 0.218 220 A C 1.899 179.415 177.584 -0.115 0.000 1.157 220 A CA 0.917 52.897 52.037 -0.095 0.000 0.670 220 A CB -0.864 18.101 19.000 -0.058 0.000 0.804 220 A HN 0.598 nan 8.150 nan 0.000 0.453 221 I N -0.453 120.070 120.570 -0.078 0.000 2.208 221 I HA -0.288 3.883 4.170 0.001 0.000 0.245 221 I C 2.220 178.194 176.117 -0.239 0.000 1.097 221 I CA 1.372 62.610 61.300 -0.103 0.000 1.363 221 I CB -0.120 37.874 38.000 -0.010 0.000 1.051 221 I HN 0.316 nan 8.210 nan 0.000 0.413 222 L N -0.825 120.161 121.223 -0.395 0.000 2.298 222 L HA 0.113 4.454 4.340 0.001 0.000 0.209 222 L C 2.321 178.687 176.870 -0.839 0.000 1.084 222 L CA 0.874 55.358 54.840 -0.594 0.000 0.816 222 L CB -0.573 41.039 42.059 -0.746 0.000 0.967 222 L HN 0.241 nan 8.230 nan 0.000 0.460 223 G N -1.359 107.014 108.800 -0.712 0.000 2.939 223 G HA2 0.286 4.246 3.960 0.001 0.000 0.210 223 G HA3 0.286 4.246 3.960 0.001 0.000 0.210 223 G C 1.314 176.147 174.900 -0.111 0.000 1.160 223 G CA 0.629 45.349 45.100 -0.633 0.000 0.770 223 G HN 0.464 nan 8.290 nan 0.000 0.543 224 G N 0.229 108.963 108.800 -0.111 0.000 2.417 224 G HA2 -0.261 3.699 3.960 0.001 0.000 0.233 224 G HA3 -0.261 3.699 3.960 0.001 0.000 0.233 224 G C 0.394 175.292 174.900 -0.003 0.000 1.103 224 G CA 0.982 46.075 45.100 -0.012 0.000 0.647 224 G HN 1.267 nan 8.290 nan 0.000 0.512 225 K N -0.948 119.454 120.400 0.004 0.000 2.658 225 K HA 0.591 4.912 4.320 0.001 0.000 0.293 225 K C -1.880 174.719 176.600 -0.001 0.000 1.026 225 K CA -0.810 55.478 56.287 0.002 0.000 0.871 225 K CB 1.296 33.811 32.500 0.024 0.000 1.524 225 K HN 0.444 nan 8.250 nan 0.000 0.400 226 N N 1.287 119.970 118.700 -0.029 0.000 2.493 226 N HA 0.361 5.102 4.740 0.001 0.000 0.279 226 N C -2.918 172.540 175.510 -0.086 0.000 1.082 226 N CA -0.867 52.147 53.050 -0.060 0.000 0.963 226 N CB 1.980 40.399 38.487 -0.115 0.000 1.627 226 N HN 0.586 nan 8.380 nan 0.000 0.499 227 P HA 0.383 nan 4.420 nan 0.000 0.272 227 P C -1.136 176.145 177.300 -0.032 0.000 1.230 227 P CA 0.508 63.516 63.100 -0.154 0.000 0.788 227 P CB 0.224 31.725 31.700 -0.331 0.000 0.949 228 H N -1.909 117.202 119.070 0.069 0.000 3.371 228 H HA -0.085 4.471 4.556 0.001 0.000 0.368 228 H C 0.098 175.500 175.328 0.124 0.000 1.178 228 H CA 0.251 56.360 56.048 0.101 0.000 1.191 228 H CB -2.145 27.659 29.762 0.071 0.000 1.547 228 H HN 0.610 nan 8.280 nan 0.000 0.411 229 T N -1.144 113.601 114.554 0.317 0.000 2.748 229 T HA 0.362 4.713 4.350 0.001 0.000 0.304 229 T C 0.754 175.638 174.700 0.306 0.000 1.041 229 T CA -0.388 61.892 62.100 0.301 0.000 1.033 229 T CB 2.015 71.130 68.868 0.412 0.000 0.995 229 T HN 0.563 nan 8.240 nan 0.000 0.536 230 Q N 0.541 120.538 119.800 0.328 0.000 3.449 230 Q HA 0.376 4.716 4.340 0.001 0.000 0.272 230 Q C -0.803 175.368 176.000 0.286 0.000 0.787 230 Q CA -0.518 55.434 55.803 0.249 0.000 0.904 230 Q CB 0.103 28.939 28.738 0.163 0.000 1.536 230 Q HN 0.851 nan 8.270 nan 0.000 0.387 231 F N -2.353 117.633 119.950 0.060 0.000 2.974 231 F HA 0.377 4.904 4.527 0.001 0.000 0.357 231 F C 0.078 175.887 175.800 0.015 0.000 1.114 231 F CA -0.376 57.633 58.000 0.015 0.000 1.099 231 F CB 0.344 39.324 39.000 -0.033 0.000 1.205 231 F HN -0.009 nan 8.300 nan 0.000 0.535 232 T N 1.676 115.795 114.554 -0.725 0.000 2.882 232 T HA 0.687 5.038 4.350 0.001 0.000 0.287 232 T C -0.238 174.314 174.700 -0.247 0.000 0.992 232 T CA -0.091 61.652 62.100 -0.595 0.000 1.076 232 T CB 2.002 70.518 68.868 -0.587 0.000 0.961 232 T HN 0.650 nan 8.240 nan 0.000 0.490 233 V N -0.768 119.032 119.914 -0.190 0.000 3.159 233 V HA 0.713 4.833 4.120 0.001 0.000 0.308 233 V C -0.214 175.795 176.094 -0.143 0.000 1.190 233 V CA -1.420 60.826 62.300 -0.090 0.000 1.037 233 V CB 1.514 33.340 31.823 0.005 0.000 1.060 233 V HN 0.803 nan 8.190 nan 0.000 0.437 234 V N 2.799 122.613 119.914 -0.167 0.000 2.557 234 V HA 0.473 4.594 4.120 0.001 0.000 0.301 234 V C 1.717 177.593 176.094 -0.364 0.000 1.026 234 V CA 1.779 63.822 62.300 -0.429 0.000 1.137 234 V CB -0.220 31.068 31.823 -0.890 0.000 0.917 234 V HN 2.045 nan 8.190 nan 0.000 0.484 235 G N 2.890 111.490 108.800 -0.334 0.000 2.194 235 G HA2 0.101 4.062 3.960 0.001 0.000 0.236 235 G HA3 0.101 4.062 3.960 0.001 0.000 0.236 235 G C 0.669 175.533 174.900 -0.059 0.000 0.987 235 G CA 0.073 45.093 45.100 -0.134 0.000 0.635 235 G HN 1.933 nan 8.290 nan 0.000 0.520 236 G N -1.851 106.892 108.800 -0.095 0.000 2.374 236 G HA2 0.418 4.379 3.960 0.001 0.000 0.067 236 G HA3 0.418 4.379 3.960 0.001 0.000 0.067 236 G C -0.631 174.198 174.900 -0.117 0.000 1.023 236 G CA 0.555 45.605 45.100 -0.084 0.000 1.131 236 G HN 1.382 nan 8.290 nan 0.000 0.436 237 C N 0.090 119.330 119.300 -0.100 0.000 2.994 237 C HA 0.747 5.208 4.460 0.001 0.000 0.304 237 C C 1.501 176.400 174.990 -0.152 0.000 1.273 237 C CA 0.302 59.258 59.018 -0.103 0.000 1.537 237 C CB 1.546 29.298 27.740 0.021 0.000 2.001 237 C HN 1.221 nan 8.230 nan 0.000 0.471 238 S N -0.022 115.616 115.700 -0.104 0.000 2.511 238 S HA 0.016 4.486 4.470 0.001 0.000 0.214 238 S C 0.373 174.846 174.600 -0.210 0.000 0.997 238 S CA 0.380 58.488 58.200 -0.153 0.000 0.908 238 S CB -0.353 62.842 63.200 -0.008 0.000 0.803 238 S HN 0.729 nan 8.310 nan 0.000 0.504 239 N N 1.325 119.960 118.700 -0.109 0.000 3.124 239 N HA 0.226 4.967 4.740 0.001 0.000 0.284 239 N C -0.056 175.404 175.510 -0.084 0.000 1.209 239 N CA -0.546 52.477 53.050 -0.045 0.000 1.149 239 N CB -0.689 37.807 38.487 0.014 0.000 1.434 239 N HN 0.292 nan 8.380 nan 0.000 0.529 240 Y N 0.413 120.733 120.300 0.033 0.000 2.256 240 Y HA -0.214 4.336 4.550 0.001 0.000 0.288 240 Y C 2.339 178.239 175.900 0.000 0.000 1.155 240 Y CA 1.368 59.479 58.100 0.019 0.000 1.203 240 Y CB -0.136 38.336 38.460 0.020 0.000 0.980 240 Y HN 0.554 nan 8.280 nan 0.000 0.530 241 Q N -0.067 119.809 119.800 0.126 0.000 2.224 241 Q HA -0.099 4.242 4.340 0.001 0.000 0.203 241 Q C 2.253 178.258 176.000 0.009 0.000 0.970 241 Q CA 1.208 57.048 55.803 0.062 0.000 0.865 241 Q CB -0.448 28.314 28.738 0.041 0.000 0.922 241 Q HN 0.499 nan 8.270 nan 0.000 0.445 242 G N 0.497 109.279 108.800 -0.030 0.000 2.625 242 G HA2 -0.095 3.866 3.960 0.001 0.000 0.214 242 G HA3 -0.095 3.866 3.960 0.001 0.000 0.214 242 G C 1.086 175.939 174.900 -0.080 0.000 1.132 242 G CA 0.170 45.210 45.100 -0.101 0.000 0.782 242 G HN 0.329 nan 8.290 nan 0.000 0.538 243 L N 1.201 122.415 121.223 -0.015 0.000 2.592 243 L HA 0.176 4.517 4.340 0.001 0.000 0.227 243 L C 1.549 178.430 176.870 0.017 0.000 1.127 243 L CA 0.120 54.964 54.840 0.006 0.000 0.884 243 L CB -0.137 41.951 42.059 0.049 0.000 1.065 243 L HN 0.193 nan 8.230 nan 0.000 0.457 244 T N -4.011 110.552 114.554 0.015 0.000 2.902 244 T HA 0.129 4.480 4.350 0.001 0.000 0.280 244 T C 1.034 175.743 174.700 0.015 0.000 0.992 244 T CA -0.681 61.430 62.100 0.020 0.000 1.015 244 T CB 2.060 70.942 68.868 0.023 0.000 1.044 244 T HN 0.021 nan 8.240 nan 0.000 0.520 245 K N 0.390 120.801 120.400 0.019 0.000 2.002 245 K HA -0.182 4.138 4.320 0.001 0.000 0.209 245 K C 1.283 177.897 176.600 0.023 0.000 1.048 245 K CA 1.949 58.249 56.287 0.021 0.000 0.930 245 K CB -0.381 32.130 32.500 0.019 0.000 0.714 245 K HN 0.623 nan 8.250 nan 0.000 0.438 246 D N 0.216 120.628 120.400 0.019 0.000 2.103 246 D HA -0.048 4.593 4.640 0.001 0.000 0.199 246 D C -0.837 175.477 176.300 0.024 0.000 0.978 246 D CA 0.890 54.901 54.000 0.019 0.000 0.829 246 D CB -1.361 39.447 40.800 0.014 0.000 0.981 246 D HN 0.285 nan 8.370 nan 0.000 0.464 247 P HA -0.072 nan 4.420 nan 0.000 0.216 247 P C 1.707 179.031 177.300 0.041 0.000 1.150 247 P CA 0.746 63.855 63.100 0.014 0.000 0.837 247 P CB 0.055 31.747 31.700 -0.014 0.000 0.786 248 L N -1.565 119.682 121.223 0.039 0.000 2.240 248 L HA -0.041 4.300 4.340 0.001 0.000 0.211 248 L C 2.335 179.277 176.870 0.120 0.000 1.106 248 L CA 1.010 55.901 54.840 0.085 0.000 0.793 248 L CB -0.782 41.307 42.059 0.052 0.000 0.927 248 L HN -0.040 nan 8.230 nan 0.000 0.446 249 A N 0.301 123.164 122.820 0.072 0.000 1.898 249 A HA -0.249 4.072 4.320 0.001 0.000 0.216 249 A C 2.005 179.624 177.584 0.058 0.000 1.181 249 A CA 2.031 54.101 52.037 0.055 0.000 0.620 249 A CB -0.596 18.424 19.000 0.033 0.000 0.819 249 A HN 0.439 nan 8.150 nan 0.000 0.442 250 N N -1.649 117.090 118.700 0.065 0.000 2.244 250 N HA -0.165 4.576 4.740 0.001 0.000 0.183 250 N C 1.496 177.054 175.510 0.081 0.000 1.016 250 N CA 1.581 54.664 53.050 0.055 0.000 0.866 250 N CB -0.444 38.071 38.487 0.045 0.000 0.980 250 N HN 0.539 nan 8.380 nan 0.000 0.430 251 Y N 0.271 120.559 120.300 -0.019 0.000 2.200 251 Y HA -0.042 4.509 4.550 0.001 0.000 0.290 251 Y C 2.021 177.915 175.900 -0.010 0.000 1.137 251 Y CA 1.180 59.266 58.100 -0.022 0.000 1.163 251 Y CB -0.555 37.885 38.460 -0.032 0.000 0.988 251 Y HN 0.142 nan 8.280 nan 0.000 0.518 252 L N 0.563 121.785 121.223 -0.000 0.000 2.093 252 L HA -0.028 4.312 4.340 0.001 0.000 0.208 252 L C 2.367 179.182 176.870 -0.093 0.000 1.085 252 L CA 2.089 56.881 54.840 -0.081 0.000 0.755 252 L CB -1.175 40.891 42.059 0.011 0.000 0.904 252 L HN 0.246 nan 8.230 nan 0.000 0.435 253 A N -0.626 122.166 122.820 -0.047 0.000 1.898 253 A HA -0.108 4.213 4.320 0.001 0.000 0.216 253 A C 2.235 179.785 177.584 -0.056 0.000 1.181 253 A CA 1.744 53.758 52.037 -0.040 0.000 0.620 253 A CB -0.777 18.214 19.000 -0.015 0.000 0.819 253 A HN 0.483 nan 8.150 nan 0.000 0.442 254 L N -0.522 120.658 121.223 -0.072 0.000 2.056 254 L HA -0.153 4.187 4.340 0.001 0.000 0.207 254 L C 2.877 179.682 176.870 -0.108 0.000 1.078 254 L CA 1.427 56.221 54.840 -0.076 0.000 0.749 254 L CB -0.515 41.504 42.059 -0.066 0.000 0.901 254 L HN 0.323 nan 8.230 nan 0.000 0.433 255 S N -0.050 115.532 115.700 -0.197 0.000 2.359 255 S HA -0.220 4.250 4.470 0.001 0.000 0.224 255 S C 1.950 176.488 174.600 -0.102 0.000 1.035 255 S CA 1.485 59.566 58.200 -0.198 0.000 1.018 255 S CB -0.165 62.830 63.200 -0.342 0.000 0.876 255 S HN 0.344 nan 8.310 nan 0.000 0.448 256 K N 0.781 121.127 120.400 -0.089 0.000 2.148 256 K HA -0.095 4.226 4.320 0.001 0.000 0.204 256 K C 2.228 178.814 176.600 -0.024 0.000 1.050 256 K CA 1.126 57.380 56.287 -0.054 0.000 0.942 256 K CB -0.082 32.388 32.500 -0.050 0.000 0.724 256 K HN 0.389 nan 8.250 nan 0.000 0.446 257 E N 0.737 120.922 120.200 -0.024 0.000 2.038 257 E HA -0.197 4.154 4.350 0.001 0.000 0.195 257 E C 1.802 178.420 176.600 0.030 0.000 1.000 257 E CA 1.506 57.906 56.400 -0.001 0.000 0.803 257 E CB 0.015 29.706 29.700 -0.016 0.000 0.750 257 E HN -0.009 nan 8.360 nan 0.000 0.448 258 V N 0.120 120.044 119.914 0.018 0.000 2.343 258 V HA -0.321 3.800 4.120 0.001 0.000 0.247 258 V C 2.437 178.599 176.094 0.114 0.000 1.051 258 V CA 1.739 64.077 62.300 0.063 0.000 1.036 258 V CB -0.363 31.483 31.823 0.038 0.000 0.654 258 V HN 0.580 nan 8.190 nan 0.000 0.451 259 c N -0.778 117.854 118.600 0.054 0.000 2.448 259 c HA -0.111 4.460 4.570 0.001 0.000 0.280 259 c C 2.738 176.851 174.090 0.038 0.000 1.398 259 c CA 1.014 57.369 56.329 0.043 0.000 1.774 259 c CB -0.927 41.577 42.510 -0.010 0.000 1.888 259 c HN 0.661 nan 8.230 nan 0.000 0.519 260 Q N -0.098 119.729 119.800 0.045 0.000 2.046 260 Q HA -0.214 4.127 4.340 0.001 0.000 0.200 260 Q C 2.032 178.070 176.000 0.063 0.000 0.975 260 Q CA 1.674 57.498 55.803 0.036 0.000 0.836 260 Q CB -0.311 28.447 28.738 0.033 0.000 0.896 260 Q HN 0.635 nan 8.270 nan 0.000 0.428 261 F N 0.267 120.198 119.950 -0.031 0.000 2.134 261 F HA -0.189 4.339 4.527 0.001 0.000 0.299 261 F C 1.901 177.706 175.800 0.009 0.000 1.097 261 F CA 1.157 59.132 58.000 -0.041 0.000 1.264 261 F CB -0.267 38.706 39.000 -0.047 0.000 1.001 261 F HN -0.086 nan 8.300 nan 0.000 0.479 262 V N 0.906 120.896 119.914 0.128 0.000 2.287 262 V HA -0.355 3.766 4.120 0.001 0.000 0.248 262 V C 2.127 178.195 176.094 -0.044 0.000 1.053 262 V CA 2.373 64.742 62.300 0.115 0.000 1.027 262 V CB -0.744 31.184 31.823 0.175 0.000 0.646 262 V HN 0.413 nan 8.190 nan 0.000 0.447 263 N N -0.598 118.062 118.700 -0.066 0.000 2.416 263 N HA -0.070 4.671 4.740 0.001 0.000 0.177 263 N C 1.767 177.198 175.510 -0.132 0.000 1.036 263 N CA 0.831 53.817 53.050 -0.107 0.000 0.901 263 N CB 0.111 38.547 38.487 -0.085 0.000 0.976 263 N HN 0.619 nan 8.380 nan 0.000 0.444 264 E N -0.296 119.811 120.200 -0.156 0.000 2.140 264 E HA 0.044 4.395 4.350 0.001 0.000 0.191 264 E C 1.328 177.768 176.600 -0.266 0.000 0.973 264 E CA 0.575 56.873 56.400 -0.171 0.000 0.829 264 E CB 0.365 29.982 29.700 -0.138 0.000 0.781 264 E HN 0.300 nan 8.360 nan 0.000 0.466 265 C N -0.762 118.259 119.300 -0.464 0.000 2.403 265 C HA 0.098 4.558 4.460 0.001 0.000 0.380 265 C C 2.246 177.109 174.990 -0.212 0.000 1.490 265 C CA -0.487 58.179 59.018 -0.587 0.000 2.457 265 C CB -0.827 26.078 27.740 -1.392 0.000 2.341 265 C HN 0.425 nan 8.230 nan 0.000 0.626 266 Y N 3.080 123.141 120.300 -0.398 0.000 2.049 266 Y HA -0.149 4.402 4.550 0.001 0.000 0.277 266 Y C 2.239 177.900 175.900 -0.398 0.000 1.143 266 Y CA 1.578 59.504 58.100 -0.290 0.000 1.115 266 Y CB -0.932 37.410 38.460 -0.197 0.000 0.975 266 Y HN 0.153 nan 8.280 nan 0.000 0.487 267 I N 0.772 121.097 120.570 -0.409 0.000 2.163 267 I HA -0.225 3.945 4.170 0.001 0.000 0.243 267 I C -0.372 175.566 176.117 -0.298 0.000 1.085 267 I CA 1.468 62.482 61.300 -0.475 0.000 1.347 267 I CB -2.910 34.875 38.000 -0.357 0.000 1.044 267 I HN 0.191 nan 8.210 nan 0.000 0.408 268 P HA -0.119 nan 4.420 nan 0.000 0.215 268 P C 1.248 178.530 177.300 -0.030 0.000 1.153 268 P CA 1.473 64.522 63.100 -0.086 0.000 0.853 268 P CB 0.031 31.707 31.700 -0.040 0.000 0.788 269 D N -1.051 119.363 120.400 0.022 0.000 2.144 269 D HA -0.114 4.527 4.640 0.001 0.000 0.200 269 D C 1.844 178.172 176.300 0.046 0.000 0.978 269 D CA 0.824 54.910 54.000 0.143 0.000 0.833 269 D CB -0.759 40.271 40.800 0.384 0.000 0.961 269 D HN 0.026 nan 8.370 nan 0.000 0.470 270 L N 0.614 121.701 121.223 -0.227 0.000 2.046 270 L HA -0.082 4.259 4.340 0.001 0.000 0.208 270 L C 2.101 178.856 176.870 -0.192 0.000 1.077 270 L CA 1.393 56.037 54.840 -0.327 0.000 0.747 270 L CB -0.560 41.099 42.059 -0.667 0.000 0.896 270 L HN 0.006 nan 8.230 nan 0.000 0.432 271 L N -0.906 120.213 121.223 -0.173 0.000 2.156 271 L HA -0.105 4.236 4.340 0.001 0.000 0.208 271 L C 2.628 179.474 176.870 -0.040 0.000 1.095 271 L CA 0.923 55.690 54.840 -0.122 0.000 0.770 271 L CB -0.870 41.115 42.059 -0.123 0.000 0.914 271 L HN 0.351 nan 8.230 nan 0.000 0.439 272 A N -0.194 122.639 122.820 0.021 0.000 1.877 272 A HA -0.144 4.177 4.320 0.001 0.000 0.216 272 A C 2.308 180.036 177.584 0.240 0.000 1.186 272 A CA 1.707 53.827 52.037 0.138 0.000 0.620 272 A CB -0.778 18.329 19.000 0.178 0.000 0.822 272 A HN 0.182 nan 8.150 nan 0.000 0.443 273 V N -0.243 119.759 119.914 0.147 0.000 2.515 273 V HA -0.196 3.925 4.120 0.001 0.000 0.250 273 V C 2.969 179.136 176.094 0.121 0.000 1.058 273 V CA 1.738 64.129 62.300 0.153 0.000 1.064 273 V CB -1.034 30.711 31.823 -0.130 0.000 0.675 273 V HN 0.614 nan 8.190 nan 0.000 0.461 274 A N 0.483 123.292 122.820 -0.018 0.000 1.929 274 A HA -0.007 4.313 4.320 0.001 0.000 0.216 274 A C 2.413 180.023 177.584 0.044 0.000 1.176 274 A CA 1.670 53.688 52.037 -0.032 0.000 0.628 274 A CB -1.086 17.856 19.000 -0.097 0.000 0.816 274 A HN 0.495 nan 8.150 nan 0.000 0.444 275 G N -0.803 108.000 108.800 0.005 0.000 2.459 275 G HA2 -0.202 3.758 3.960 0.001 0.000 0.217 275 G HA3 -0.202 3.758 3.960 0.001 0.000 0.217 275 G C 1.358 176.181 174.900 -0.128 0.000 1.183 275 G CA 1.210 46.249 45.100 -0.101 0.000 0.776 275 G HN 0.428 nan 8.290 nan 0.000 0.552 276 F N -0.496 119.480 119.950 0.043 0.000 2.186 276 F HA 0.106 4.634 4.527 0.001 0.000 0.299 276 F C 1.383 177.204 175.800 0.034 0.000 1.090 276 F CA 0.643 58.638 58.000 -0.008 0.000 1.307 276 F CB -0.219 38.733 39.000 -0.080 0.000 1.019 276 F HN 0.086 nan 8.300 nan 0.000 0.489 277 Y N 0.456 120.976 120.300 0.366 0.000 2.882 277 Y HA 0.183 4.734 4.550 0.001 0.000 0.361 277 Y C 1.365 177.475 175.900 0.350 0.000 1.058 277 Y CA -0.679 57.684 58.100 0.438 0.000 1.575 277 Y CB -0.737 37.876 38.460 0.256 0.000 1.383 277 Y HN -0.048 nan 8.280 nan 0.000 0.515 278 K N 0.222 120.815 120.400 0.322 0.000 2.218 278 K HA -0.207 4.113 4.320 0.001 0.000 0.205 278 K C 1.316 178.067 176.600 0.251 0.000 1.046 278 K CA 1.726 58.139 56.287 0.210 0.000 0.933 278 K CB -0.067 32.491 32.500 0.096 0.000 0.728 278 K HN 0.577 nan 8.250 nan 0.000 0.454 279 D N -0.094 120.503 120.400 0.328 0.000 2.263 279 D HA -0.195 4.445 4.640 0.001 0.000 0.208 279 D C 1.214 177.641 176.300 0.212 0.000 0.971 279 D CA 0.800 54.943 54.000 0.239 0.000 0.867 279 D CB -0.681 40.266 40.800 0.244 0.000 0.929 279 D HN 0.266 nan 8.370 nan 0.000 0.492 280 W N 1.466 122.930 121.300 0.273 0.000 2.961 280 W HA 0.331 4.991 4.660 0.001 0.000 0.240 280 W C 2.290 178.908 176.519 0.165 0.000 1.305 280 W CA 0.610 58.104 57.345 0.249 0.000 1.465 280 W CB -0.164 29.507 29.460 0.351 0.000 1.135 280 W HN 0.116 nan 8.180 nan 0.000 0.688 281 G N -0.404 108.546 108.800 0.249 0.000 2.744 281 G HA2 0.042 4.003 3.960 0.001 0.000 0.211 281 G HA3 0.042 4.003 3.960 0.001 0.000 0.211 281 G C 1.406 176.376 174.900 0.118 0.000 1.143 281 G CA 0.720 45.915 45.100 0.158 0.000 0.788 281 G HN 0.327 nan 8.290 nan 0.000 0.534 282 G N -0.101 108.745 108.800 0.077 0.000 3.651 282 G HA2 0.482 4.443 3.960 0.001 0.000 0.279 282 G HA3 0.482 4.443 3.960 0.001 0.000 0.279 282 G C -0.077 174.812 174.900 -0.018 0.000 1.024 282 G CA -0.311 44.809 45.100 0.033 0.000 0.813 282 G HN 0.299 nan 8.290 nan 0.000 0.518 283 I N -0.376 120.182 120.570 -0.021 0.000 2.582 283 I HA 0.529 4.700 4.170 0.001 0.000 0.292 283 I C 0.899 177.065 176.117 0.081 0.000 1.066 283 I CA -0.599 60.645 61.300 -0.093 0.000 1.053 283 I CB 2.276 39.987 38.000 -0.483 0.000 1.241 283 I HN 0.142 nan 8.210 nan 0.000 0.421 284 G N 3.685 112.543 108.800 0.097 0.000 2.149 284 G HA2 -0.152 3.809 3.960 0.001 0.000 0.235 284 G HA3 -0.152 3.809 3.960 0.001 0.000 0.235 284 G C 0.319 175.344 174.900 0.209 0.000 1.018 284 G CA -0.095 45.123 45.100 0.196 0.000 0.728 284 G HN 1.059 nan 8.290 nan 0.000 0.508 285 G N -0.647 108.255 108.800 0.170 0.000 2.507 285 G HA2 0.813 4.773 3.960 0.001 0.000 0.271 285 G HA3 0.813 4.773 3.960 0.001 0.000 0.271 285 G C 0.395 175.390 174.900 0.158 0.000 1.189 285 G CA 0.939 46.157 45.100 0.198 0.000 0.859 285 G HN 1.393 nan 8.290 nan 0.000 0.542 286 T N -2.773 111.874 114.554 0.154 0.000 2.645 286 T HA 0.640 4.991 4.350 0.001 0.000 0.273 286 T C 0.726 175.388 174.700 -0.064 0.000 0.960 286 T CA -0.061 62.056 62.100 0.029 0.000 1.051 286 T CB 1.661 70.538 68.868 0.016 0.000 1.366 286 T HN 0.275 nan 8.240 nan 0.000 0.536 287 S N 0.044 115.632 115.700 -0.186 0.000 2.593 287 S HA 0.324 4.795 4.470 0.001 0.000 0.235 287 S C -0.039 174.413 174.600 -0.247 0.000 1.059 287 S CA -0.383 57.706 58.200 -0.185 0.000 0.953 287 S CB 0.078 63.206 63.200 -0.121 0.000 0.897 287 S HN 0.709 nan 8.310 nan 0.000 0.507 288 N N 1.112 119.575 118.700 -0.396 0.000 2.362 288 N HA 0.528 5.269 4.740 0.001 0.000 0.298 288 N C -1.544 173.649 175.510 -0.528 0.000 1.048 288 N CA -0.177 52.697 53.050 -0.294 0.000 0.858 288 N CB 1.103 39.511 38.487 -0.131 0.000 1.218 288 N HN 0.162 nan 8.380 nan 0.000 0.488 289 Y N 0.417 120.686 120.300 -0.053 0.000 2.457 289 Y HA 0.555 5.106 4.550 0.001 0.000 0.343 289 Y C -0.551 175.240 175.900 -0.181 0.000 0.994 289 Y CA -1.093 56.967 58.100 -0.066 0.000 1.031 289 Y CB 2.046 40.518 38.460 0.020 0.000 1.246 289 Y HN 0.343 nan 8.280 nan 0.000 0.449 290 L N 2.619 123.757 121.223 -0.142 0.000 2.408 290 L HA 1.019 5.359 4.340 0.001 0.000 0.268 290 L C -1.397 175.253 176.870 -0.367 0.000 0.986 290 L CA -0.600 54.018 54.840 -0.371 0.000 0.820 290 L CB 1.929 43.555 42.059 -0.721 0.000 1.303 290 L HN 0.706 nan 8.230 nan 0.000 0.411 291 A N 3.800 126.429 122.820 -0.318 0.000 2.547 291 A HA 0.576 4.897 4.320 0.001 0.000 0.297 291 A C -0.590 176.939 177.584 -0.093 0.000 1.056 291 A CA -0.457 51.427 52.037 -0.255 0.000 0.688 291 A CB 0.701 19.660 19.000 -0.070 0.000 1.282 291 A HN 0.755 nan 8.150 nan 0.000 0.400 292 F N 1.762 121.709 119.950 -0.004 0.000 2.776 292 F HA 0.400 4.928 4.527 0.001 0.000 0.300 292 F C 1.605 177.501 175.800 0.159 0.000 1.116 292 F CA 0.697 58.726 58.000 0.048 0.000 1.375 292 F CB 0.508 39.504 39.000 -0.007 0.000 1.109 292 F HN 1.096 nan 8.300 nan 0.000 0.585 293 G N 1.607 110.573 108.800 0.278 0.000 2.733 293 G HA2 -0.041 3.920 3.960 0.001 0.000 0.686 293 G HA3 -0.041 3.920 3.960 0.001 0.000 0.686 293 G C -1.323 173.707 174.900 0.217 0.000 1.373 293 G CA -0.800 44.425 45.100 0.208 0.000 0.838 293 G HN 0.190 nan 8.290 nan 0.000 0.588 294 E N -0.948 119.284 120.200 0.053 0.000 2.433 294 E HA 0.735 5.086 4.350 0.001 0.000 0.278 294 E C 0.093 176.472 176.600 -0.369 0.000 0.976 294 E CA -0.668 55.575 56.400 -0.261 0.000 0.793 294 E CB 0.679 30.079 29.700 -0.501 0.000 1.311 294 E HN 1.517 nan 8.360 nan 0.000 0.460 295 F N -0.552 119.230 119.950 -0.280 0.000 2.975 295 F HA -0.137 4.390 4.527 0.001 0.000 0.319 295 F C 0.237 175.855 175.800 -0.304 0.000 0.976 295 F CA 0.420 58.157 58.000 -0.439 0.000 1.072 295 F CB -1.749 36.850 39.000 -0.668 0.000 1.165 295 F HN 0.414 nan 8.300 nan 0.000 0.758 296 A N 0.447 123.143 122.820 -0.207 0.000 2.351 296 A HA 0.573 4.894 4.320 0.001 0.000 0.257 296 A C 1.330 178.858 177.584 -0.094 0.000 1.087 296 A CA 0.253 52.178 52.037 -0.185 0.000 0.798 296 A CB 0.458 19.277 19.000 -0.302 0.000 1.033 296 A HN 0.692 nan 8.150 nan 0.000 0.488 297 T N -2.002 112.524 114.554 -0.048 0.000 3.060 297 T HA 0.162 4.513 4.350 0.001 0.000 0.249 297 T C -0.043 174.646 174.700 -0.018 0.000 1.079 297 T CA 0.754 62.844 62.100 -0.017 0.000 1.013 297 T CB -0.001 68.879 68.868 0.020 0.000 0.975 297 T HN 0.572 nan 8.240 nan 0.000 0.518 298 D N 0.715 121.097 120.400 -0.030 0.000 2.386 298 D HA 0.234 4.874 4.640 0.001 0.000 0.247 298 D C -1.070 175.222 176.300 -0.014 0.000 1.336 298 D CA -0.367 53.623 54.000 -0.016 0.000 0.976 298 D CB 1.298 42.094 40.800 -0.006 0.000 1.257 298 D HN -0.089 nan 8.370 nan 0.000 0.570 299 D N 1.484 121.879 120.400 -0.008 0.000 2.525 299 D HA -0.008 4.633 4.640 0.001 0.000 0.229 299 D C 1.543 177.838 176.300 -0.008 0.000 1.202 299 D CA 0.144 54.150 54.000 0.010 0.000 0.828 299 D CB 0.582 41.387 40.800 0.008 0.000 1.008 299 D HN 0.383 nan 8.370 nan 0.000 0.493 300 S N -0.439 115.256 115.700 -0.007 0.000 2.500 300 S HA -0.043 4.427 4.470 0.001 0.000 0.239 300 S C 0.913 175.500 174.600 -0.021 0.000 0.989 300 S CA 0.153 58.345 58.200 -0.014 0.000 0.951 300 S CB -0.109 63.089 63.200 -0.005 0.000 0.759 300 S HN 0.205 nan 8.310 nan 0.000 0.523 301 S N -1.469 114.220 115.700 -0.019 0.000 2.611 301 S HA 0.462 4.933 4.470 0.001 0.000 0.270 301 S C -3.008 171.574 174.600 -0.030 0.000 1.131 301 S CA -1.026 57.155 58.200 -0.032 0.000 0.826 301 S CB 0.824 64.013 63.200 -0.017 0.000 1.095 301 S HN -0.059 nan 8.310 nan 0.000 0.461 302 P HA -0.187 nan 4.420 nan 0.000 0.215 302 P C 1.837 179.126 177.300 -0.019 0.000 1.163 302 P CA 2.772 65.810 63.100 -0.103 0.000 0.894 302 P CB -0.228 31.389 31.700 -0.138 0.000 0.791 303 S N -1.533 114.166 115.700 -0.002 0.000 2.423 303 S HA -0.084 4.386 4.470 0.001 0.000 0.231 303 S C 1.826 176.447 174.600 0.035 0.000 1.014 303 S CA 0.897 59.112 58.200 0.024 0.000 0.965 303 S CB -0.749 62.467 63.200 0.026 0.000 0.785 303 S HN 0.023 nan 8.310 nan 0.000 0.495 304 K N 0.823 121.242 120.400 0.031 0.000 2.116 304 K HA 0.018 4.338 4.320 0.001 0.000 0.203 304 K C 2.018 178.632 176.600 0.023 0.000 1.052 304 K CA 1.370 57.670 56.287 0.023 0.000 0.952 304 K CB -0.649 31.859 32.500 0.013 0.000 0.729 304 K HN 0.713 nan 8.250 nan 0.000 0.446 305 H N 1.299 120.343 119.070 -0.044 0.000 2.290 305 H HA -0.021 4.536 4.556 0.001 0.000 0.298 305 H C 2.084 177.400 175.328 -0.019 0.000 1.087 305 H CA 1.835 57.853 56.048 -0.050 0.000 1.291 305 H CB -0.173 29.534 29.762 -0.092 0.000 1.369 305 H HN -0.017 nan 8.280 nan 0.000 0.492 306 L N -0.215 121.099 121.223 0.152 0.000 2.043 306 L HA -0.242 4.098 4.340 0.001 0.000 0.212 306 L C 2.745 179.636 176.870 0.035 0.000 1.075 306 L CA 1.283 56.195 54.840 0.120 0.000 0.752 306 L CB -0.579 41.542 42.059 0.104 0.000 0.891 306 L HN 0.522 nan 8.230 nan 0.000 0.432 307 A N -1.123 121.707 122.820 0.017 0.000 1.975 307 A HA -0.097 4.224 4.320 0.001 0.000 0.215 307 A C 2.081 179.663 177.584 -0.003 0.000 1.170 307 A CA 1.545 53.592 52.037 0.015 0.000 0.656 307 A CB -0.359 18.654 19.000 0.021 0.000 0.821 307 A HN 0.466 nan 8.150 nan 0.000 0.449 308 T N -3.163 111.367 114.554 -0.039 0.000 3.132 308 T HA 0.277 4.628 4.350 0.001 0.000 0.274 308 T C 0.271 174.934 174.700 -0.063 0.000 1.011 308 T CA 0.263 62.344 62.100 -0.033 0.000 0.899 308 T CB -0.304 68.549 68.868 -0.025 0.000 1.089 308 T HN 0.052 nan 8.240 nan 0.000 0.543 309 S N 2.406 118.031 115.700 -0.126 0.000 2.537 309 S HA 0.095 4.566 4.470 0.001 0.000 0.286 309 S C 1.264 175.905 174.600 0.069 0.000 1.299 309 S CA -0.367 57.761 58.200 -0.121 0.000 1.067 309 S CB 0.950 64.053 63.200 -0.161 0.000 0.864 309 S HN 0.543 nan 8.310 nan 0.000 0.494 310 Q N 1.108 121.004 119.800 0.160 0.000 2.245 310 Q HA 0.026 4.367 4.340 0.001 0.000 0.201 310 Q C -0.434 175.908 176.000 0.570 0.000 0.955 310 Q CA 0.796 56.782 55.803 0.306 0.000 0.870 310 Q CB 0.054 28.995 28.738 0.337 0.000 0.945 310 Q HN 0.572 nan 8.270 nan 0.000 0.461 311 F N 2.609 122.728 119.950 0.281 0.000 2.334 311 F HA 0.303 4.830 4.527 0.001 0.000 0.365 311 F C -1.965 173.887 175.800 0.086 0.000 1.124 311 F CA -3.903 54.238 58.000 0.234 0.000 1.166 311 F CB 0.047 39.284 39.000 0.395 0.000 1.355 311 F HN -0.076 nan 8.300 nan 0.000 0.532 312 P HA 0.065 nan 4.420 nan 0.000 0.270 312 P C -0.066 177.274 177.300 0.067 0.000 1.223 312 P CA -0.098 63.053 63.100 0.084 0.000 0.785 312 P CB 0.779 32.498 31.700 0.032 0.000 0.923 313 S N -0.141 115.601 115.700 0.071 0.000 2.652 313 S HA 0.831 5.301 4.470 0.001 0.000 0.270 313 S C 0.320 174.949 174.600 0.048 0.000 1.243 313 S CA 0.049 58.302 58.200 0.088 0.000 0.999 313 S CB 0.830 64.118 63.200 0.147 0.000 0.973 313 S HN 0.889 nan 8.310 nan 0.000 0.544 314 G N -0.747 108.071 108.800 0.029 0.000 2.324 314 G HA2 0.446 4.407 3.960 0.001 0.000 0.293 314 G HA3 0.446 4.407 3.960 0.001 0.000 0.293 314 G C -1.981 172.889 174.900 -0.051 0.000 1.297 314 G CA -0.319 44.785 45.100 0.008 0.000 0.853 314 G HN 1.324 nan 8.290 nan 0.000 0.535 315 V N 0.518 120.405 119.914 -0.046 0.000 2.569 315 V HA 0.603 4.724 4.120 0.001 0.000 0.301 315 V C -0.328 175.762 176.094 -0.006 0.000 1.044 315 V CA -0.479 61.763 62.300 -0.095 0.000 0.874 315 V CB 1.517 33.241 31.823 -0.165 0.000 1.002 315 V HN 0.704 nan 8.190 nan 0.000 0.424 316 I N 3.286 123.880 120.570 0.039 0.000 2.441 316 I HA 0.629 4.800 4.170 0.001 0.000 0.295 316 I C -0.061 176.107 176.117 0.085 0.000 0.994 316 I CA -0.122 61.227 61.300 0.081 0.000 1.144 316 I CB 2.450 40.523 38.000 0.121 0.000 1.314 316 I HN 0.576 nan 8.210 nan 0.000 0.445 317 T N 3.199 117.786 114.554 0.054 0.000 2.861 317 T HA 0.459 4.809 4.350 0.001 0.000 0.287 317 T C 0.581 175.284 174.700 0.006 0.000 1.003 317 T CA -0.126 61.992 62.100 0.030 0.000 0.977 317 T CB 1.688 70.582 68.868 0.044 0.000 0.996 317 T HN 1.004 nan 8.240 nan 0.000 0.448 318 G N 2.625 111.411 108.800 -0.024 0.000 2.258 318 G HA2 -0.364 3.597 3.960 0.001 0.000 0.274 318 G HA3 -0.364 3.597 3.960 0.001 0.000 0.274 318 G C 0.601 175.446 174.900 -0.092 0.000 1.021 318 G CA 0.611 45.679 45.100 -0.053 0.000 0.798 318 G HN 0.895 nan 8.290 nan 0.000 0.507 319 R N -1.717 118.724 120.500 -0.098 0.000 4.000 319 R HA -0.205 4.135 4.340 0.001 0.000 0.362 319 R C 0.236 176.464 176.300 -0.121 0.000 1.183 319 R CA 1.228 57.204 56.100 -0.207 0.000 1.011 319 R CB -1.570 28.425 30.300 -0.509 0.000 1.501 319 R HN 0.515 nan 8.270 nan 0.000 0.553 320 D N 1.281 121.648 120.400 -0.054 0.000 2.416 320 D HA 0.084 4.725 4.640 0.001 0.000 0.240 320 D C 1.232 177.524 176.300 -0.013 0.000 1.250 320 D CA 0.039 54.023 54.000 -0.026 0.000 0.967 320 D CB 0.337 41.132 40.800 -0.008 0.000 1.059 320 D HN 0.255 nan 8.370 nan 0.000 0.512 321 L N 2.396 123.613 121.223 -0.011 0.000 2.275 321 L HA 0.005 4.346 4.340 0.001 0.000 0.215 321 L C 2.238 179.122 176.870 0.023 0.000 1.119 321 L CA 0.834 55.680 54.840 0.010 0.000 0.790 321 L CB -0.111 41.980 42.059 0.052 0.000 0.919 321 L HN 0.414 nan 8.230 nan 0.000 0.443 322 G N -0.128 108.683 108.800 0.018 0.000 2.776 322 G HA2 -0.160 3.800 3.960 0.001 0.000 0.209 322 G HA3 -0.160 3.800 3.960 0.001 0.000 0.209 322 G C 0.893 175.802 174.900 0.015 0.000 1.145 322 G CA 0.063 45.173 45.100 0.016 0.000 0.791 322 G HN 0.215 nan 8.290 nan 0.000 0.530 323 K N 0.759 121.169 120.400 0.017 0.000 2.920 323 K HA 0.390 4.711 4.320 0.001 0.000 0.175 323 K C -0.919 175.698 176.600 0.027 0.000 1.099 323 K CA -0.414 55.887 56.287 0.023 0.000 0.939 323 K CB 1.113 33.628 32.500 0.024 0.000 1.148 323 K HN -0.082 nan 8.250 nan 0.000 0.613 324 V N 3.068 122.996 119.914 0.024 0.000 2.427 324 V HA 0.153 4.273 4.120 0.001 0.000 0.268 324 V C 0.114 176.230 176.094 0.036 0.000 1.046 324 V CA -0.343 61.972 62.300 0.026 0.000 0.970 324 V CB 0.776 32.609 31.823 0.017 0.000 1.001 324 V HN 0.541 nan 8.190 nan 0.000 0.476 325 D N 3.112 123.540 120.400 0.047 0.000 2.277 325 D HA 0.291 4.931 4.640 0.001 0.000 0.250 325 D C 0.026 176.370 176.300 0.073 0.000 1.032 325 D CA -0.477 53.564 54.000 0.068 0.000 0.947 325 D CB 0.916 41.775 40.800 0.098 0.000 1.159 325 D HN 0.422 nan 8.370 nan 0.000 0.460 326 N N -0.145 118.609 118.700 0.090 0.000 2.479 326 N HA 0.050 4.791 4.740 0.001 0.000 0.257 326 N C -0.246 175.357 175.510 0.154 0.000 1.232 326 N CA -0.169 52.944 53.050 0.104 0.000 0.920 326 N CB 0.803 39.349 38.487 0.098 0.000 1.105 326 N HN 0.106 nan 8.380 nan 0.000 0.444 327 V N 1.612 121.622 119.914 0.160 0.000 2.521 327 V HA -0.059 4.061 4.120 0.001 0.000 0.286 327 V C 0.519 176.791 176.094 0.296 0.000 1.034 327 V CA -0.002 62.437 62.300 0.232 0.000 1.045 327 V CB 0.587 32.557 31.823 0.245 0.000 0.974 327 V HN 0.564 nan 8.190 nan 0.000 0.480 328 D N 4.786 125.457 120.400 0.453 0.000 2.443 328 D HA 0.259 4.899 4.640 0.001 0.000 0.221 328 D C 0.866 177.398 176.300 0.387 0.000 1.097 328 D CA -0.294 53.902 54.000 0.327 0.000 0.865 328 D CB 1.167 42.098 40.800 0.218 0.000 1.034 328 D HN 0.411 nan 8.370 nan 0.000 0.511 329 L N 2.761 124.184 121.223 0.333 0.000 2.275 329 L HA 0.041 4.382 4.340 0.001 0.000 0.215 329 L C 2.307 179.469 176.870 0.487 0.000 1.119 329 L CA 0.974 56.070 54.840 0.426 0.000 0.790 329 L CB -0.075 42.200 42.059 0.359 0.000 0.919 329 L HN 0.474 nan 8.230 nan 0.000 0.443 330 G N -0.350 108.644 108.800 0.322 0.000 2.534 330 G HA2 -0.070 3.890 3.960 0.001 0.000 0.217 330 G HA3 -0.070 3.890 3.960 0.001 0.000 0.217 330 G C 1.493 176.542 174.900 0.248 0.000 1.128 330 G CA 0.632 45.872 45.100 0.234 0.000 0.784 330 G HN 0.446 nan 8.290 nan 0.000 0.542 331 A N -0.180 122.737 122.820 0.162 0.000 2.275 331 A HA 0.507 4.828 4.320 0.001 0.000 0.212 331 A C 0.801 178.434 177.584 0.082 0.000 1.201 331 A CA -0.388 51.647 52.037 -0.003 0.000 0.843 331 A CB -0.038 18.724 19.000 -0.396 0.000 0.873 331 A HN 0.298 nan 8.150 nan 0.000 0.492 332 I N 0.881 121.598 120.570 0.245 0.000 2.474 332 I HA 0.382 4.553 4.170 0.001 0.000 0.287 332 I C -0.134 176.005 176.117 0.035 0.000 1.048 332 I CA -0.222 61.207 61.300 0.215 0.000 1.383 332 I CB 0.587 38.760 38.000 0.289 0.000 1.412 332 I HN 0.511 nan 8.210 nan 0.000 0.531 333 Y N 2.822 123.070 120.300 -0.088 0.000 2.656 333 Y HA 0.633 5.184 4.550 0.001 0.000 0.334 333 Y C -1.490 174.287 175.900 -0.206 0.000 1.179 333 Y CA -1.297 56.695 58.100 -0.179 0.000 1.050 333 Y CB 1.024 39.435 38.460 -0.081 0.000 1.308 333 Y HN 0.438 nan 8.280 nan 0.000 0.456 334 E N 1.428 121.606 120.200 -0.037 0.000 2.238 334 E HA 0.378 4.729 4.350 0.001 0.000 0.267 334 E C -1.573 175.049 176.600 0.037 0.000 0.887 334 E CA -1.090 55.231 56.400 -0.132 0.000 0.769 334 E CB 2.099 31.678 29.700 -0.200 0.000 1.187 334 E HN 0.524 nan 8.360 nan 0.000 0.416 335 D N 0.830 121.233 120.400 0.006 0.000 2.299 335 D HA 0.286 4.927 4.640 0.001 0.000 0.243 335 D C 0.279 176.576 176.300 -0.006 0.000 0.982 335 D CA -0.426 53.603 54.000 0.049 0.000 0.924 335 D CB 2.188 43.045 40.800 0.094 0.000 1.238 335 D HN 0.274 nan 8.370 nan 0.000 0.484 336 V N -1.512 118.410 119.914 0.013 0.000 3.329 336 V HA 0.208 4.328 4.120 0.001 0.000 0.317 336 V C 1.555 177.661 176.094 0.019 0.000 1.495 336 V CA -0.323 62.004 62.300 0.044 0.000 1.105 336 V CB 0.227 32.103 31.823 0.088 0.000 0.985 336 V HN 0.431 nan 8.190 nan 0.000 0.475 337 K N 0.736 121.112 120.400 -0.040 0.000 2.074 337 K HA -0.150 4.171 4.320 0.001 0.000 0.209 337 K C 1.166 177.432 176.600 -0.558 0.000 1.048 337 K CA 2.453 58.609 56.287 -0.218 0.000 0.926 337 K CB -0.213 32.152 32.500 -0.225 0.000 0.713 337 K HN 0.654 nan 8.250 nan 0.000 0.444 338 Y N 0.144 120.253 120.300 -0.319 0.000 2.607 338 Y HA 0.270 4.821 4.550 0.001 0.000 0.266 338 Y C -0.049 175.478 175.900 -0.623 0.000 1.178 338 Y CA -0.593 57.207 58.100 -0.499 0.000 1.226 338 Y CB 0.949 39.190 38.460 -0.366 0.000 1.144 338 Y HN -0.117 nan 8.280 nan 0.000 0.528 339 S N -1.152 114.390 115.700 -0.263 0.000 2.664 339 S HA 0.214 4.685 4.470 0.001 0.000 0.304 339 S C -0.616 173.861 174.600 -0.205 0.000 1.099 339 S CA -0.784 57.253 58.200 -0.271 0.000 1.003 339 S CB 0.898 64.168 63.200 0.117 0.000 1.092 339 S HN 0.269 nan 8.310 nan 0.000 0.525 340 W N 2.810 123.852 121.300 -0.429 0.000 1.435 340 W HA 0.303 4.964 4.660 0.001 0.000 0.471 340 W C -0.956 175.005 176.519 -0.930 0.000 0.590 340 W CA -0.539 56.317 57.345 -0.816 0.000 2.419 340 W CB -1.470 27.028 29.460 -1.603 0.000 1.251 340 W HN 0.523 nan 8.180 nan 0.000 0.338 341 Y N -0.006 120.314 120.300 0.034 0.000 2.605 341 Y HA 0.557 5.108 4.550 0.001 0.000 0.343 341 Y C 0.425 176.329 175.900 0.007 0.000 1.036 341 Y CA -1.987 56.137 58.100 0.040 0.000 1.065 341 Y CB 0.489 38.983 38.460 0.056 0.000 1.288 341 Y HN -0.024 nan 8.280 nan 0.000 0.481 342 A N 3.077 125.995 122.820 0.164 0.000 2.545 342 A HA 0.305 4.626 4.320 0.001 0.000 0.253 342 A C -2.494 175.139 177.584 0.081 0.000 1.074 342 A CA -1.034 51.047 52.037 0.074 0.000 0.760 342 A CB -0.920 18.118 19.000 0.063 0.000 1.005 342 A HN 0.404 nan 8.150 nan 0.000 0.506 343 P HA 0.263 nan 4.420 nan 0.000 0.265 343 P C 1.032 178.351 177.300 0.032 0.000 1.187 343 P CA 1.724 64.859 63.100 0.058 0.000 0.766 343 P CB 0.621 32.350 31.700 0.048 0.000 0.820 344 G N 1.627 110.440 108.800 0.022 0.000 2.175 344 G HA2 -0.108 3.853 3.960 0.001 0.000 0.182 344 G HA3 -0.108 3.853 3.960 0.001 0.000 0.182 344 G C 0.742 175.647 174.900 0.009 0.000 1.003 344 G CA -0.116 44.989 45.100 0.010 0.000 0.666 344 G HN 0.823 nan 8.290 nan 0.000 0.506 345 G N -0.081 108.729 108.800 0.018 0.000 3.502 345 G HA2 0.431 4.392 3.960 0.001 0.000 0.267 345 G HA3 0.431 4.392 3.960 0.001 0.000 0.267 345 G C -0.009 174.889 174.900 -0.003 0.000 1.090 345 G CA 0.245 45.350 45.100 0.009 0.000 0.795 345 G HN 0.364 nan 8.290 nan 0.000 0.535 346 D N 0.175 120.573 120.400 -0.003 0.000 2.358 346 D HA 0.395 5.035 4.640 0.001 0.000 0.244 346 D C 1.346 177.636 176.300 -0.017 0.000 1.163 346 D CA 0.938 54.941 54.000 0.005 0.000 0.945 346 D CB 1.309 42.110 40.800 0.002 0.000 1.152 346 D HN 0.221 nan 8.370 nan 0.000 0.451 347 G N 0.863 109.671 108.800 0.014 0.000 2.221 347 G HA2 -0.256 3.705 3.960 0.001 0.000 0.265 347 G HA3 -0.256 3.705 3.960 0.001 0.000 0.265 347 G C -0.025 174.828 174.900 -0.079 0.000 1.041 347 G CA 0.105 45.100 45.100 -0.176 0.000 0.807 347 G HN 0.325 nan 8.290 nan 0.000 0.502 348 K N 0.677 121.098 120.400 0.034 0.000 2.248 348 K HA 0.233 4.554 4.320 0.001 0.000 0.281 348 K C 0.327 176.939 176.600 0.021 0.000 1.054 348 K CA -0.751 55.543 56.287 0.011 0.000 0.903 348 K CB 1.034 33.519 32.500 -0.025 0.000 1.077 348 K HN 0.465 nan 8.250 nan 0.000 0.474 349 H N 4.490 123.523 119.070 -0.062 0.000 2.732 349 H HA 0.044 4.600 4.556 0.001 0.000 0.351 349 H C -1.759 173.383 175.328 -0.309 0.000 1.090 349 H CA -1.397 54.555 56.048 -0.160 0.000 1.431 349 H CB 1.337 31.030 29.762 -0.115 0.000 1.447 349 H HN 0.229 nan 8.280 nan 0.000 0.582 350 P HA -0.164 nan 4.420 nan 0.000 0.219 350 P C 0.907 177.971 177.300 -0.393 0.000 1.146 350 P CA 1.104 63.689 63.100 -0.858 0.000 0.808 350 P CB -0.062 30.535 31.700 -1.837 0.000 0.779 351 Y N 0.214 120.428 120.300 -0.143 0.000 2.315 351 Y HA -0.137 4.414 4.550 0.001 0.000 0.288 351 Y C 1.263 177.177 175.900 0.024 0.000 1.154 351 Y CA 0.886 59.027 58.100 0.068 0.000 1.229 351 Y CB -0.884 37.666 38.460 0.151 0.000 0.980 351 Y HN 0.072 nan 8.280 nan 0.000 0.540 352 D N -0.860 119.635 120.400 0.159 0.000 2.559 352 D HA 0.162 4.803 4.640 0.001 0.000 0.234 352 D C 0.930 177.243 176.300 0.021 0.000 1.226 352 D CA 0.120 54.166 54.000 0.076 0.000 0.830 352 D CB -0.112 40.725 40.800 0.061 0.000 1.028 352 D HN 0.138 nan 8.370 nan 0.000 0.492 353 G N 0.420 109.212 108.800 -0.013 0.000 2.491 353 G HA2 0.345 4.306 3.960 0.001 0.000 0.238 353 G HA3 0.345 4.306 3.960 0.001 0.000 0.238 353 G C 0.090 174.986 174.900 -0.006 0.000 1.277 353 G CA -0.011 45.064 45.100 -0.043 0.000 0.851 353 G HN 0.028 nan 8.290 nan 0.000 0.573 354 V N 0.670 120.570 119.914 -0.022 0.000 2.735 354 V HA 0.596 4.717 4.120 0.001 0.000 0.310 354 V C -0.058 176.021 176.094 -0.024 0.000 1.061 354 V CA -0.723 61.578 62.300 0.002 0.000 0.913 354 V CB 2.370 34.198 31.823 0.010 0.000 1.005 354 V HN 0.776 nan 8.190 nan 0.000 0.428 355 T N 2.295 116.876 114.554 0.046 0.000 3.141 355 T HA 0.278 4.629 4.350 0.001 0.000 0.377 355 T C -0.896 173.941 174.700 0.228 0.000 1.258 355 T CA -0.216 61.941 62.100 0.094 0.000 1.263 355 T CB 0.230 69.204 68.868 0.177 0.000 1.066 355 T HN 0.701 nan 8.240 nan 0.000 0.546 356 D N 4.546 125.115 120.400 0.282 0.000 2.460 356 D HA 0.289 4.930 4.640 0.001 0.000 0.268 356 D C -2.307 174.182 176.300 0.315 0.000 1.153 356 D CA -2.185 51.967 54.000 0.253 0.000 0.929 356 D CB 1.184 42.080 40.800 0.159 0.000 1.015 356 D HN 0.152 nan 8.370 nan 0.000 0.502 357 P HA 0.073 nan 4.420 nan 0.000 0.265 357 P C -0.460 176.842 177.300 0.003 0.000 1.193 357 P CA 0.049 63.110 63.100 -0.065 0.000 0.765 357 P CB 0.619 32.079 31.700 -0.400 0.000 0.823 358 K N 3.446 123.811 120.400 -0.058 0.000 2.656 358 K HA 0.211 4.532 4.320 0.001 0.000 0.253 358 K C -1.686 174.835 176.600 -0.131 0.000 1.002 358 K CA -0.670 55.589 56.287 -0.047 0.000 0.880 358 K CB 1.253 33.718 32.500 -0.059 0.000 1.232 358 K HN 0.394 nan 8.250 nan 0.000 0.456 359 Y N 2.652 122.792 120.300 -0.268 0.000 2.335 359 Y HA 0.165 4.716 4.550 0.001 0.000 0.323 359 Y C 1.107 176.773 175.900 -0.391 0.000 1.224 359 Y CA 0.560 58.301 58.100 -0.599 0.000 1.241 359 Y CB 1.349 39.527 38.460 -0.469 0.000 1.235 359 Y HN 0.773 nan 8.280 nan 0.000 0.492 360 T N 0.884 114.763 114.554 -1.125 0.000 3.422 360 T HA 0.395 4.745 4.350 0.001 0.000 0.192 360 T C -0.657 173.554 174.700 -0.814 0.000 0.857 360 T CA 0.039 61.766 62.100 -0.621 0.000 1.400 360 T CB 0.250 68.982 68.868 -0.227 0.000 1.864 360 T HN 0.646 nan 8.240 nan 0.000 0.415 361 K N -0.370 119.617 120.400 -0.690 0.000 2.615 361 K HA 0.626 4.946 4.320 0.001 0.000 0.291 361 K C -1.734 174.783 176.600 -0.139 0.000 1.017 361 K CA -1.118 54.930 56.287 -0.399 0.000 0.882 361 K CB 0.774 33.194 32.500 -0.133 0.000 1.522 361 K HN 0.173 nan 8.250 nan 0.000 0.412 362 L N 2.464 123.709 121.223 0.036 0.000 2.490 362 L HA 0.107 4.447 4.340 0.001 0.000 0.274 362 L C -0.594 176.336 176.870 0.100 0.000 1.201 362 L CA 1.235 56.164 54.840 0.149 0.000 0.869 362 L CB -0.695 41.443 42.059 0.131 0.000 1.123 362 L HN 0.734 nan 8.230 nan 0.000 0.484 363 D N 1.687 122.160 120.400 0.121 0.000 2.737 363 D HA -0.221 4.419 4.640 0.001 0.000 0.238 363 D C -0.515 175.763 176.300 -0.037 0.000 1.157 363 D CA 0.899 54.890 54.000 -0.016 0.000 0.694 363 D CB -0.935 39.829 40.800 -0.060 0.000 1.021 363 D HN 0.582 nan 8.370 nan 0.000 0.420 364 D N -0.145 120.273 120.400 0.030 0.000 2.414 364 D HA 0.250 4.891 4.640 0.001 0.000 0.232 364 D C 0.615 176.937 176.300 0.037 0.000 1.070 364 D CA -0.662 53.356 54.000 0.031 0.000 0.839 364 D CB 0.828 41.684 40.800 0.093 0.000 1.079 364 D HN -0.045 nan 8.370 nan 0.000 0.521 365 K N 2.019 122.393 120.400 -0.043 0.000 2.525 365 K HA 0.051 4.371 4.320 0.001 0.000 0.192 365 K C 0.418 177.196 176.600 0.295 0.000 1.029 365 K CA 0.311 56.582 56.287 -0.027 0.000 1.029 365 K CB 0.541 32.916 32.500 -0.208 0.000 0.814 365 K HN 0.407 nan 8.250 nan 0.000 0.503 366 D N -0.355 120.149 120.400 0.173 0.000 2.346 366 D HA 0.001 4.642 4.640 0.001 0.000 0.206 366 D C -0.023 176.059 176.300 -0.363 0.000 1.001 366 D CA 0.781 54.787 54.000 0.009 0.000 0.871 366 D CB 0.452 41.212 40.800 -0.067 0.000 0.943 366 D HN 0.227 nan 8.370 nan 0.000 0.518 367 H N -0.207 118.852 119.070 -0.018 0.000 3.240 367 H HA 0.095 4.651 4.556 0.001 0.000 0.326 367 H C -0.752 174.227 175.328 -0.582 0.000 1.015 367 H CA -0.337 55.502 56.048 -0.348 0.000 1.504 367 H CB 0.701 30.288 29.762 -0.292 0.000 1.754 367 H HN 0.086 nan 8.280 nan 0.000 0.505 368 Y N 0.759 120.533 120.300 -0.876 0.000 2.767 368 Y HA 0.515 5.066 4.550 0.001 0.000 0.254 368 Y C -0.277 174.819 175.900 -1.340 0.000 1.133 368 Y CA -0.547 56.984 58.100 -0.948 0.000 1.225 368 Y CB 0.761 39.055 38.460 -0.276 0.000 1.312 368 Y HN 0.273 nan 8.280 nan 0.000 0.560 369 S N -0.686 113.939 115.700 -1.791 0.000 2.556 369 S HA 0.289 4.759 4.470 0.001 0.000 0.271 369 S C -0.928 173.389 174.600 -0.472 0.000 1.135 369 S CA -0.689 56.974 58.200 -0.895 0.000 0.858 369 S CB 0.452 63.381 63.200 -0.452 0.000 1.114 369 S HN 0.410 nan 8.310 nan 0.000 0.468 370 W N 2.489 123.973 121.300 0.306 0.000 2.905 370 W HA 0.271 4.931 4.660 0.001 0.000 0.251 370 W C 0.960 177.683 176.519 0.339 0.000 1.305 370 W CA -0.328 57.235 57.345 0.363 0.000 1.465 370 W CB 0.159 29.889 29.460 0.449 0.000 1.122 370 W HN 0.294 nan 8.180 nan 0.000 0.659 371 M N 1.396 121.217 119.600 0.368 0.000 2.233 371 M HA 0.115 4.595 4.480 0.001 0.000 0.350 371 M C 0.613 177.022 176.300 0.182 0.000 1.176 371 M CA 0.357 55.802 55.300 0.241 0.000 1.150 371 M CB 0.772 33.449 32.600 0.127 0.000 1.530 371 M HN -0.201 nan 8.290 nan 0.000 0.459 372 K N 1.226 121.686 120.400 0.100 0.000 2.132 372 K HA 0.481 4.801 4.320 0.001 0.000 0.240 372 K C -0.241 176.304 176.600 -0.092 0.000 1.036 372 K CA -0.441 55.830 56.287 -0.027 0.000 0.888 372 K CB 0.564 32.980 32.500 -0.140 0.000 1.071 372 K HN 0.753 nan 8.250 nan 0.000 0.502 373 A N 2.605 125.348 122.820 -0.130 0.000 2.511 373 A HA 0.361 4.682 4.320 0.001 0.000 0.340 373 A C -2.488 174.919 177.584 -0.296 0.000 1.396 373 A CA -1.752 50.182 52.037 -0.173 0.000 0.887 373 A CB 0.200 19.137 19.000 -0.105 0.000 1.145 373 A HN 0.292 nan 8.150 nan 0.000 0.497 374 P HA 0.392 nan 4.420 nan 0.000 0.276 374 P C -0.452 176.395 177.300 -0.755 0.000 1.235 374 P CA -0.043 62.514 63.100 -0.904 0.000 0.772 374 P CB 0.779 31.421 31.700 -1.764 0.000 0.871 375 R N 2.305 122.401 120.500 -0.674 0.000 2.837 375 R HA 0.481 4.822 4.340 0.001 0.000 0.271 375 R C -1.442 174.730 176.300 -0.213 0.000 0.993 375 R CA -0.904 54.975 56.100 -0.368 0.000 0.931 375 R CB 1.581 31.567 30.300 -0.524 0.000 1.206 375 R HN 0.476 nan 8.270 nan 0.000 0.474 376 Y N 1.490 121.791 120.300 0.003 0.000 2.363 376 Y HA 0.203 4.754 4.550 0.001 0.000 0.325 376 Y C -0.129 175.855 175.900 0.140 0.000 0.984 376 Y CA -0.412 57.764 58.100 0.128 0.000 1.248 376 Y CB 0.749 39.322 38.460 0.187 0.000 1.116 376 Y HN 0.694 nan 8.280 nan 0.000 0.470 377 K N 4.455 124.858 120.400 0.005 0.000 3.035 377 K HA -0.256 4.065 4.320 0.001 0.000 0.262 377 K C 0.917 177.628 176.600 0.185 0.000 1.024 377 K CA 1.071 57.407 56.287 0.082 0.000 0.748 377 K CB -1.528 30.947 32.500 -0.041 0.000 1.247 377 K HN 1.286 nan 8.250 nan 0.000 0.482 378 G N -0.535 108.434 108.800 0.281 0.000 2.213 378 G HA2 -0.301 3.659 3.960 0.001 0.000 0.236 378 G HA3 -0.301 3.659 3.960 0.001 0.000 0.236 378 G C -0.106 174.880 174.900 0.143 0.000 0.991 378 G CA 0.486 45.725 45.100 0.231 0.000 0.629 378 G HN 0.252 nan 8.290 nan 0.000 0.517 379 K N 0.749 121.237 120.400 0.146 0.000 2.221 379 K HA 0.722 5.042 4.320 0.001 0.000 0.258 379 K C 0.365 177.049 176.600 0.141 0.000 0.944 379 K CA -0.081 56.282 56.287 0.127 0.000 0.823 379 K CB 2.068 34.653 32.500 0.140 0.000 1.113 379 K HN 0.460 nan 8.250 nan 0.000 0.431 380 A N 3.682 126.556 122.820 0.091 0.000 2.407 380 A HA 0.432 4.752 4.320 0.001 0.000 0.248 380 A C -0.247 177.405 177.584 0.113 0.000 1.082 380 A CA 0.016 52.119 52.037 0.111 0.000 0.785 380 A CB 0.264 19.287 19.000 0.038 0.000 1.020 380 A HN 0.578 nan 8.150 nan 0.000 0.489 381 M N 1.738 121.452 119.600 0.190 0.000 2.327 381 M HA 0.298 4.778 4.480 0.001 0.000 0.298 381 M C -0.336 175.971 176.300 0.012 0.000 1.065 381 M CA -0.244 55.058 55.300 0.003 0.000 0.916 381 M CB 1.720 34.196 32.600 -0.207 0.000 1.630 381 M HN 0.976 nan 8.290 nan 0.000 0.442 382 E N 2.732 122.888 120.200 -0.073 0.000 2.301 382 E HA 0.585 4.936 4.350 0.001 0.000 0.275 382 E C -1.118 175.495 176.600 0.022 0.000 1.030 382 E CA -0.641 55.792 56.400 0.055 0.000 0.852 382 E CB 1.360 31.106 29.700 0.077 0.000 1.060 382 E HN 0.545 nan 8.360 nan 0.000 0.401 383 V N 0.485 120.445 119.914 0.078 0.000 3.141 383 V HA 0.990 5.111 4.120 0.001 0.000 0.312 383 V C 0.278 176.423 176.094 0.084 0.000 1.157 383 V CA 0.140 62.431 62.300 -0.015 0.000 1.041 383 V CB 0.989 32.695 31.823 -0.194 0.000 1.071 383 V HN 1.069 nan 8.190 nan 0.000 0.441 384 G N 1.665 110.497 108.800 0.052 0.000 2.331 384 G HA2 0.070 4.031 3.960 0.001 0.000 0.479 384 G HA3 0.070 4.031 3.960 0.001 0.000 0.479 384 G C -2.630 172.322 174.900 0.087 0.000 1.262 384 G CA 0.028 45.174 45.100 0.078 0.000 1.029 384 G HN 0.661 nan 8.290 nan 0.000 0.487 385 P HA -0.034 nan 4.420 nan 0.000 0.216 385 P C 2.246 179.541 177.300 -0.007 0.000 1.153 385 P CA 1.475 64.618 63.100 0.073 0.000 0.858 385 P CB 0.083 31.772 31.700 -0.019 0.000 0.789 386 L N -0.482 120.719 121.223 -0.037 0.000 2.083 386 L HA -0.077 4.264 4.340 0.001 0.000 0.209 386 L C 2.213 179.033 176.870 -0.084 0.000 1.083 386 L CA 1.977 56.747 54.840 -0.117 0.000 0.752 386 L CB -1.578 40.487 42.059 0.009 0.000 0.899 386 L HN -0.120 nan 8.230 nan 0.000 0.433 387 A N -0.537 122.352 122.820 0.114 0.000 1.898 387 A HA -0.184 4.137 4.320 0.001 0.000 0.216 387 A C 2.419 179.989 177.584 -0.023 0.000 1.181 387 A CA 1.598 53.725 52.037 0.150 0.000 0.620 387 A CB -0.481 18.648 19.000 0.215 0.000 0.819 387 A HN 0.472 nan 8.150 nan 0.000 0.442 388 R N -1.026 119.448 120.500 -0.044 0.000 2.092 388 R HA -0.073 4.267 4.340 0.001 0.000 0.231 388 R C 2.262 178.318 176.300 -0.406 0.000 1.119 388 R CA 1.712 57.730 56.100 -0.138 0.000 0.970 388 R CB -0.728 29.579 30.300 0.012 0.000 0.864 388 R HN 0.504 nan 8.270 nan 0.000 0.440 389 T N 0.794 115.156 114.554 -0.320 0.000 2.708 389 T HA -0.119 4.231 4.350 0.001 0.000 0.266 389 T C 1.531 176.018 174.700 -0.356 0.000 1.037 389 T CA 1.357 63.236 62.100 -0.368 0.000 1.146 389 T CB -0.265 68.465 68.868 -0.230 0.000 0.865 389 T HN 0.162 nan 8.240 nan 0.000 0.435 390 F N 0.438 120.204 119.950 -0.306 0.000 2.186 390 F HA 0.033 4.561 4.527 0.001 0.000 0.299 390 F C 2.144 177.828 175.800 -0.193 0.000 1.090 390 F CA 0.607 58.432 58.000 -0.291 0.000 1.307 390 F CB -0.258 38.423 39.000 -0.532 0.000 1.019 390 F HN 0.110 nan 8.300 nan 0.000 0.489 391 I N -0.378 120.170 120.570 -0.036 0.000 2.202 391 I HA -0.269 3.901 4.170 0.001 0.000 0.242 391 I C 2.641 178.682 176.117 -0.127 0.000 1.091 391 I CA 1.145 62.408 61.300 -0.062 0.000 1.368 391 I CB -0.638 37.319 38.000 -0.071 0.000 1.058 391 I HN 0.059 nan 8.210 nan 0.000 0.410 392 A N -0.067 122.559 122.820 -0.324 0.000 1.902 392 A HA -0.283 4.037 4.320 0.001 0.000 0.217 392 A C 2.302 179.784 177.584 -0.170 0.000 1.181 392 A CA 1.582 53.377 52.037 -0.403 0.000 0.623 392 A CB -1.047 17.277 19.000 -1.126 0.000 0.818 392 A HN 0.517 nan 8.150 nan 0.000 0.443 393 Y N 0.465 120.635 120.300 -0.217 0.000 2.163 393 Y HA -0.053 4.498 4.550 0.002 0.000 0.288 393 Y C 2.663 178.549 175.900 -0.023 0.000 1.136 393 Y CA 1.304 59.368 58.100 -0.060 0.000 1.147 393 Y CB -0.428 38.012 38.460 -0.034 0.000 0.987 393 Y HN 0.306 nan 8.280 nan 0.000 0.509 394 A N 0.176 123.061 122.820 0.108 0.000 1.978 394 A HA -0.196 4.125 4.320 0.001 0.000 0.220 394 A C 2.056 179.610 177.584 -0.050 0.000 1.170 394 A CA 1.876 53.932 52.037 0.031 0.000 0.636 394 A CB -0.495 18.541 19.000 0.061 0.000 0.810 394 A HN 0.520 nan 8.150 nan 0.000 0.448 395 K N -1.594 118.770 120.400 -0.059 0.000 2.444 395 K HA 0.207 4.527 4.320 0.001 0.000 0.193 395 K C 0.988 177.543 176.600 -0.074 0.000 1.024 395 K CA 0.461 56.716 56.287 -0.054 0.000 1.077 395 K CB -0.003 32.474 32.500 -0.037 0.000 0.833 395 K HN 0.647 nan 8.250 nan 0.000 0.517 396 G N 2.095 110.816 108.800 -0.132 0.000 2.147 396 G HA2 -0.281 3.679 3.960 0.001 0.000 0.244 396 G HA3 -0.281 3.679 3.960 0.001 0.000 0.244 396 G C -0.066 174.795 174.900 -0.065 0.000 1.005 396 G CA -0.087 44.929 45.100 -0.140 0.000 0.713 396 G HN 0.322 nan 8.290 nan 0.000 0.515 397 Q N 0.081 119.866 119.800 -0.026 0.000 2.264 397 Q HA 0.087 4.428 4.340 0.001 0.000 0.296 397 Q C -0.865 175.182 176.000 0.078 0.000 1.103 397 Q CA -0.454 55.381 55.803 0.053 0.000 0.967 397 Q CB 0.920 29.712 28.738 0.090 0.000 1.090 397 Q HN 0.285 nan 8.270 nan 0.000 0.379 398 P HA -0.106 nan 4.420 nan 0.000 0.217 398 P C 0.440 177.757 177.300 0.028 0.000 1.151 398 P CA 0.811 63.925 63.100 0.024 0.000 0.828 398 P CB 0.369 32.074 31.700 0.008 0.000 0.788 399 D N -1.191 119.235 120.400 0.044 0.000 2.097 399 D HA -0.126 4.515 4.640 0.001 0.000 0.195 399 D C 1.813 178.070 176.300 -0.071 0.000 0.989 399 D CA 1.167 55.143 54.000 -0.039 0.000 0.827 399 D CB -0.777 39.984 40.800 -0.066 0.000 0.966 399 D HN 0.141 nan 8.370 nan 0.000 0.456 400 F N 1.302 121.209 119.950 -0.072 0.000 2.146 400 F HA -0.090 4.437 4.527 0.001 0.000 0.298 400 F C 2.450 178.281 175.800 0.051 0.000 1.096 400 F CA 0.989 58.953 58.000 -0.059 0.000 1.275 400 F CB -0.099 38.854 39.000 -0.079 0.000 1.008 400 F HN -0.164 nan 8.300 nan 0.000 0.480 401 K N 0.683 121.204 120.400 0.201 0.000 2.034 401 K HA -0.299 4.022 4.320 0.001 0.000 0.214 401 K C 2.248 178.918 176.600 0.116 0.000 1.051 401 K CA 1.924 58.279 56.287 0.113 0.000 0.931 401 K CB -0.237 32.228 32.500 -0.059 0.000 0.715 401 K HN 0.137 nan 8.250 nan 0.000 0.446 402 K N 0.153 120.572 120.400 0.030 0.000 1.991 402 K HA -0.150 4.170 4.320 0.001 0.000 0.212 402 K C 1.949 178.525 176.600 -0.040 0.000 1.049 402 K CA 1.847 58.125 56.287 -0.015 0.000 0.932 402 K CB -0.014 32.456 32.500 -0.050 0.000 0.717 402 K HN 0.019 nan 8.250 nan 0.000 0.441 403 V N 0.537 120.398 119.914 -0.089 0.000 2.453 403 V HA -0.185 3.936 4.120 0.001 0.000 0.247 403 V C 2.306 178.326 176.094 -0.123 0.000 1.048 403 V CA 1.242 63.455 62.300 -0.145 0.000 1.049 403 V CB -0.134 31.541 31.823 -0.245 0.000 0.672 403 V HN 0.139 nan 8.190 nan 0.000 0.457 404 V N 0.501 120.375 119.914 -0.066 0.000 2.233 404 V HA -0.297 3.823 4.120 0.001 0.000 0.247 404 V C 2.360 178.401 176.094 -0.088 0.000 1.050 404 V CA 2.441 64.672 62.300 -0.114 0.000 1.010 404 V CB -0.739 30.986 31.823 -0.162 0.000 0.637 404 V HN 0.516 nan 8.190 nan 0.000 0.444 405 D N -0.622 119.796 120.400 0.030 0.000 2.123 405 D HA -0.193 4.447 4.640 0.001 0.000 0.196 405 D C 2.077 178.357 176.300 -0.033 0.000 0.992 405 D CA 1.247 55.261 54.000 0.023 0.000 0.833 405 D CB -0.403 40.442 40.800 0.074 0.000 0.954 405 D HN 0.263 nan 8.370 nan 0.000 0.455 406 M N 0.722 120.292 119.600 -0.051 0.000 2.082 406 M HA -0.175 4.305 4.480 0.001 0.000 0.258 406 M C 1.909 178.153 176.300 -0.093 0.000 1.069 406 M CA 1.315 56.570 55.300 -0.074 0.000 1.102 406 M CB -0.385 32.159 32.600 -0.093 0.000 1.336 406 M HN -0.095 nan 8.290 nan 0.000 0.404 407 V N 0.928 120.772 119.914 -0.118 0.000 2.307 407 V HA -0.278 3.843 4.120 0.001 0.000 0.245 407 V C 2.624 178.649 176.094 -0.115 0.000 1.045 407 V CA 1.482 63.700 62.300 -0.136 0.000 1.024 407 V CB -0.677 31.040 31.823 -0.176 0.000 0.651 407 V HN 0.503 nan 8.190 nan 0.000 0.449 408 L N 0.425 121.581 121.223 -0.112 0.000 2.079 408 L HA -0.144 4.197 4.340 0.001 0.000 0.210 408 L C 2.546 179.378 176.870 -0.063 0.000 1.081 408 L CA 1.793 56.580 54.840 -0.088 0.000 0.752 408 L CB -1.134 40.874 42.059 -0.086 0.000 0.896 408 L HN 0.502 nan 8.230 nan 0.000 0.433 409 G N -0.558 108.208 108.800 -0.057 0.000 2.403 409 G HA2 -0.159 3.802 3.960 0.001 0.000 0.216 409 G HA3 -0.159 3.802 3.960 0.001 0.000 0.216 409 G C 1.713 176.580 174.900 -0.055 0.000 1.154 409 G CA 0.079 45.151 45.100 -0.047 0.000 0.784 409 G HN 0.159 nan 8.290 nan 0.000 0.538 410 K N 0.012 120.371 120.400 -0.069 0.000 2.148 410 K HA 0.118 4.439 4.320 0.001 0.000 0.204 410 K C 2.223 178.779 176.600 -0.074 0.000 1.050 410 K CA 0.577 56.820 56.287 -0.073 0.000 0.942 410 K CB -0.150 32.298 32.500 -0.087 0.000 0.724 410 K HN 0.339 nan 8.250 nan 0.000 0.446 411 L N 0.174 121.352 121.223 -0.074 0.000 2.554 411 L HA 0.070 4.411 4.340 0.001 0.000 0.225 411 L C 0.208 177.045 176.870 -0.053 0.000 1.104 411 L CA -0.061 54.738 54.840 -0.068 0.000 0.866 411 L CB 0.042 42.059 42.059 -0.069 0.000 1.047 411 L HN -0.037 nan 8.230 nan 0.000 0.468 412 S N 0.610 116.280 115.700 -0.049 0.000 3.711 412 S HA -0.105 4.365 4.470 0.001 0.000 0.374 412 S C -0.176 174.408 174.600 -0.027 0.000 0.969 412 S CA 0.657 58.835 58.200 -0.037 0.000 1.198 412 S CB -1.591 61.587 63.200 -0.037 0.000 0.903 412 S HN 0.409 nan 8.310 nan 0.000 0.493 413 V N -2.205 117.692 119.914 -0.029 0.000 3.049 413 V HA 0.966 5.087 4.120 0.001 0.000 0.309 413 V C -2.607 173.475 176.094 -0.021 0.000 1.148 413 V CA -2.304 59.985 62.300 -0.018 0.000 0.990 413 V CB 2.454 34.267 31.823 -0.016 0.000 1.039 413 V HN 0.070 nan 8.190 nan 0.000 0.430 414 P HA 0.410 nan 4.420 nan 0.000 0.278 414 P C 0.730 178.023 177.300 -0.012 0.000 1.258 414 P CA 0.161 63.262 63.100 0.002 0.000 0.811 414 P CB 1.750 33.465 31.700 0.024 0.000 1.063 415 A N 1.296 124.103 122.820 -0.021 0.000 2.024 415 A HA -0.174 4.146 4.320 0.001 0.000 0.220 415 A C 1.967 179.565 177.584 0.025 0.000 1.164 415 A CA 2.492 54.491 52.037 -0.063 0.000 0.643 415 A CB -2.050 16.904 19.000 -0.077 0.000 0.806 415 A HN 0.710 nan 8.150 nan 0.000 0.451 416 T N -2.492 112.118 114.554 0.092 0.000 2.977 416 T HA 0.123 4.474 4.350 0.001 0.000 0.271 416 T C 1.726 176.539 174.700 0.189 0.000 1.105 416 T CA 1.312 63.537 62.100 0.208 0.000 1.116 416 T CB -0.443 68.532 68.868 0.179 0.000 0.878 416 T HN 0.583 nan 8.240 nan 0.000 0.509 417 A N 1.376 124.250 122.820 0.090 0.000 2.070 417 A HA 0.234 4.554 4.320 0.001 0.000 0.220 417 A C 2.289 179.913 177.584 0.067 0.000 1.159 417 A CA 0.838 52.920 52.037 0.075 0.000 0.656 417 A CB -0.785 18.234 19.000 0.032 0.000 0.800 417 A HN 0.589 nan 8.150 nan 0.000 0.453 418 L N -0.614 120.616 121.223 0.012 0.000 2.376 418 L HA -0.067 4.274 4.340 0.001 0.000 0.219 418 L C 0.593 177.518 176.870 0.093 0.000 1.133 418 L CA 0.217 55.021 54.840 -0.060 0.000 0.816 418 L CB -0.493 41.368 42.059 -0.330 0.000 0.933 418 L HN 0.406 nan 8.230 nan 0.000 0.449 419 H N 1.207 120.484 119.070 0.345 0.000 3.460 419 H HA 0.207 4.763 4.556 0.001 0.000 0.238 419 H C 0.212 175.667 175.328 0.211 0.000 1.752 419 H CA 0.335 56.579 56.048 0.328 0.000 1.503 419 H CB -0.386 29.495 29.762 0.200 0.000 1.830 419 H HN 0.294 nan 8.280 nan 0.000 0.614 420 S N -0.891 114.965 115.700 0.260 0.000 2.636 420 S HA 0.109 4.580 4.470 0.001 0.000 0.266 420 S C 0.832 175.547 174.600 0.191 0.000 1.147 420 S CA -0.709 57.619 58.200 0.212 0.000 0.815 420 S CB 1.462 64.776 63.200 0.191 0.000 1.119 420 S HN 0.137 nan 8.310 nan 0.000 0.470 421 T N 0.952 115.667 114.554 0.269 0.000 2.821 421 T HA -0.020 4.331 4.350 0.001 0.000 0.267 421 T C 1.768 176.632 174.700 0.274 0.000 1.046 421 T CA 1.592 63.875 62.100 0.306 0.000 1.139 421 T CB -0.593 68.610 68.868 0.558 0.000 0.871 421 T HN 0.504 nan 8.240 nan 0.000 0.454 422 L N 1.482 122.881 121.223 0.294 0.000 2.042 422 L HA 0.026 4.366 4.340 0.001 0.000 0.210 422 L C 2.481 179.366 176.870 0.025 0.000 1.076 422 L CA 2.105 57.023 54.840 0.130 0.000 0.749 422 L CB -1.228 40.925 42.059 0.157 0.000 0.893 422 L HN 0.297 nan 8.230 nan 0.000 0.432 423 G N -1.265 107.553 108.800 0.031 0.000 2.408 423 G HA2 -0.278 3.683 3.960 0.001 0.000 0.217 423 G HA3 -0.278 3.683 3.960 0.001 0.000 0.217 423 G C 1.826 176.665 174.900 -0.102 0.000 1.150 423 G CA 0.642 45.701 45.100 -0.068 0.000 0.776 423 G HN 0.403 nan 8.290 nan 0.000 0.542 424 R N -0.297 120.180 120.500 -0.039 0.000 2.120 424 R HA -0.048 4.293 4.340 0.001 0.000 0.234 424 R C 2.503 178.780 176.300 -0.038 0.000 1.123 424 R CA 1.752 57.807 56.100 -0.075 0.000 0.975 424 R CB -0.240 29.977 30.300 -0.138 0.000 0.866 424 R HN 0.324 nan 8.270 nan 0.000 0.446 425 T N 0.086 114.659 114.554 0.032 0.000 2.809 425 T HA 0.024 4.375 4.350 0.001 0.000 0.260 425 T C 1.760 176.440 174.700 -0.033 0.000 1.039 425 T CA 1.045 63.205 62.100 0.101 0.000 1.141 425 T CB -0.175 68.769 68.868 0.126 0.000 0.869 425 T HN 0.401 nan 8.240 nan 0.000 0.437 426 A N 1.666 124.414 122.820 -0.119 0.000 1.908 426 A HA 0.055 4.375 4.320 0.001 0.000 0.218 426 A C 2.615 180.066 177.584 -0.223 0.000 1.181 426 A CA 2.009 53.924 52.037 -0.203 0.000 0.627 426 A CB -1.150 17.728 19.000 -0.203 0.000 0.818 426 A HN 0.503 nan 8.150 nan 0.000 0.445 427 A N -0.476 122.224 122.820 -0.199 0.000 1.902 427 A HA -0.181 4.140 4.320 0.001 0.000 0.217 427 A C 2.204 179.699 177.584 -0.149 0.000 1.181 427 A CA 1.832 53.753 52.037 -0.193 0.000 0.623 427 A CB -0.532 18.336 19.000 -0.220 0.000 0.818 427 A HN 0.569 nan 8.150 nan 0.000 0.443 428 R N -0.634 119.767 120.500 -0.165 0.000 2.113 428 R HA -0.177 4.164 4.340 0.001 0.000 0.244 428 R C 2.232 178.414 176.300 -0.197 0.000 1.142 428 R CA 1.956 57.888 56.100 -0.280 0.000 0.953 428 R CB -0.740 29.416 30.300 -0.241 0.000 0.860 428 R HN 0.483 nan 8.270 nan 0.000 0.438 429 G N 0.532 109.183 108.800 -0.248 0.000 2.404 429 G HA2 -0.226 3.734 3.960 0.001 0.000 0.215 429 G HA3 -0.226 3.734 3.960 0.001 0.000 0.215 429 G C 1.482 176.173 174.900 -0.348 0.000 1.174 429 G CA 0.869 45.660 45.100 -0.515 0.000 0.780 429 G HN 0.287 nan 8.290 nan 0.000 0.537 430 I N 1.575 121.968 120.570 -0.295 0.000 2.118 430 I HA -0.274 3.897 4.170 0.001 0.000 0.241 430 I C 3.009 178.959 176.117 -0.279 0.000 1.070 430 I CA 2.102 63.229 61.300 -0.288 0.000 1.327 430 I CB -0.262 37.581 38.000 -0.262 0.000 1.034 430 I HN 0.509 nan 8.210 nan 0.000 0.405 431 E N -0.083 120.030 120.200 -0.145 0.000 2.152 431 E HA -0.161 4.190 4.350 0.001 0.000 0.192 431 E C 1.874 178.579 176.600 0.174 0.000 0.983 431 E CA 1.616 57.988 56.400 -0.046 0.000 0.818 431 E CB -0.551 29.320 29.700 0.285 0.000 0.758 431 E HN 0.365 nan 8.360 nan 0.000 0.467 432 T N 1.401 116.104 114.554 0.248 0.000 2.684 432 T HA -0.194 4.157 4.350 0.001 0.000 0.267 432 T C 2.117 176.880 174.700 0.107 0.000 1.036 432 T CA 1.704 63.990 62.100 0.310 0.000 1.148 432 T CB -0.492 68.623 68.868 0.413 0.000 0.863 432 T HN 0.426 nan 8.240 nan 0.000 0.436 433 A N 1.013 123.808 122.820 -0.042 0.000 1.927 433 A HA -0.128 4.193 4.320 0.001 0.000 0.220 433 A C 2.301 179.809 177.584 -0.125 0.000 1.185 433 A CA 1.604 53.572 52.037 -0.114 0.000 0.639 433 A CB -0.865 18.014 19.000 -0.201 0.000 0.820 433 A HN 0.567 nan 8.150 nan 0.000 0.451 434 I N -1.080 119.399 120.570 -0.152 0.000 2.333 434 I HA -0.153 4.018 4.170 0.001 0.000 0.246 434 I C 2.333 178.398 176.117 -0.086 0.000 1.106 434 I CA 0.746 61.941 61.300 -0.174 0.000 1.411 434 I CB -0.272 37.509 38.000 -0.364 0.000 1.082 434 I HN 0.146 nan 8.210 nan 0.000 0.420 435 V N 0.203 120.141 119.914 0.040 0.000 2.332 435 V HA -0.369 3.752 4.120 0.001 0.000 0.248 435 V C 2.579 178.582 176.094 -0.152 0.000 1.055 435 V CA 1.947 64.217 62.300 -0.050 0.000 1.038 435 V CB -0.560 31.310 31.823 0.078 0.000 0.651 435 V HN 0.584 nan 8.190 nan 0.000 0.450 436 c N -0.066 118.489 118.600 -0.075 0.000 2.425 436 c HA -0.091 4.480 4.570 0.001 0.000 0.277 436 c C 2.968 176.960 174.090 -0.163 0.000 1.280 436 c CA 0.851 57.128 56.329 -0.086 0.000 1.744 436 c CB -1.233 41.256 42.510 -0.035 0.000 1.989 436 c HN 0.641 nan 8.230 nan 0.000 0.491 437 A N 0.101 122.799 122.820 -0.204 0.000 2.119 437 A HA -0.066 4.255 4.320 0.001 0.000 0.217 437 A C 1.804 179.184 177.584 -0.340 0.000 1.153 437 A CA 1.267 53.167 52.037 -0.229 0.000 0.692 437 A CB -0.348 18.527 19.000 -0.207 0.000 0.799 437 A HN 0.710 nan 8.150 nan 0.000 0.458 438 N N -0.925 117.456 118.700 -0.533 0.000 2.282 438 N HA 0.048 4.788 4.740 0.001 0.000 0.185 438 N C 1.273 176.278 175.510 -0.841 0.000 1.099 438 N CA 0.177 52.664 53.050 -0.938 0.000 0.878 438 N CB 0.017 37.483 38.487 -1.703 0.000 0.993 438 N HN 0.251 nan 8.380 nan 0.000 0.481 439 M N 1.249 120.599 119.600 -0.417 0.000 2.082 439 M HA -0.164 4.316 4.480 0.001 0.000 0.258 439 M C 2.107 178.368 176.300 -0.065 0.000 1.069 439 M CA 1.431 56.663 55.300 -0.113 0.000 1.102 439 M CB -1.014 31.536 32.600 -0.083 0.000 1.336 439 M HN 0.210 nan 8.290 nan 0.000 0.404 440 E N 0.269 120.394 120.200 -0.125 0.000 2.077 440 E HA -0.214 4.136 4.350 0.001 0.000 0.193 440 E C 2.126 178.696 176.600 -0.050 0.000 0.989 440 E CA 1.494 57.852 56.400 -0.069 0.000 0.800 440 E CB 0.004 29.655 29.700 -0.081 0.000 0.746 440 E HN 0.447 nan 8.360 nan 0.000 0.452 441 K N -0.207 120.110 120.400 -0.138 0.000 2.002 441 K HA -0.169 4.152 4.320 0.001 0.000 0.209 441 K C 1.926 178.560 176.600 0.058 0.000 1.048 441 K CA 1.548 57.779 56.287 -0.095 0.000 0.930 441 K CB -0.276 32.099 32.500 -0.209 0.000 0.714 441 K HN 0.232 nan 8.250 nan 0.000 0.438 442 W N 1.303 122.586 121.300 -0.027 0.000 2.321 442 W HA -0.158 4.502 4.660 0.001 0.000 0.306 442 W C 2.070 178.602 176.519 0.021 0.000 1.217 442 W CA 0.747 58.084 57.345 -0.013 0.000 1.257 442 W CB -0.874 28.565 29.460 -0.036 0.000 1.145 442 W HN 0.133 nan 8.180 nan 0.000 0.509 443 I N 0.069 120.795 120.570 0.260 0.000 2.252 443 I HA -0.292 3.878 4.170 0.001 0.000 0.245 443 I C 2.602 178.799 176.117 0.133 0.000 1.102 443 I CA 1.512 62.936 61.300 0.208 0.000 1.385 443 I CB -0.612 37.515 38.000 0.211 0.000 1.064 443 I HN -0.132 nan 8.210 nan 0.000 0.414 444 K N 1.061 121.520 120.400 0.100 0.000 2.097 444 K HA -0.267 4.053 4.320 0.001 0.000 0.206 444 K C 2.085 178.728 176.600 0.072 0.000 1.049 444 K CA 1.709 58.036 56.287 0.068 0.000 0.933 444 K CB -0.119 32.407 32.500 0.042 0.000 0.717 444 K HN 0.317 nan 8.250 nan 0.000 0.442 445 E N 0.472 120.730 120.200 0.095 0.000 2.085 445 E HA -0.240 4.111 4.350 0.001 0.000 0.194 445 E C 2.010 178.653 176.600 0.071 0.000 0.994 445 E CA 1.377 57.830 56.400 0.089 0.000 0.801 445 E CB -0.065 29.710 29.700 0.125 0.000 0.743 445 E HN 0.379 nan 8.360 nan 0.000 0.453 446 M N -0.216 119.429 119.600 0.076 0.000 2.287 446 M HA 0.008 4.489 4.480 0.001 0.000 0.266 446 M C 2.180 178.502 176.300 0.037 0.000 1.079 446 M CA 1.232 56.560 55.300 0.046 0.000 1.146 446 M CB 0.063 32.681 32.600 0.030 0.000 1.374 446 M HN 0.179 nan 8.290 nan 0.000 0.435 447 A N 0.571 123.419 122.820 0.046 0.000 1.940 447 A HA -0.204 4.117 4.320 0.001 0.000 0.219 447 A C 1.491 179.096 177.584 0.035 0.000 1.176 447 A CA 2.307 54.367 52.037 0.039 0.000 0.631 447 A CB -0.825 18.203 19.000 0.047 0.000 0.814 447 A HN 0.557 nan 8.150 nan 0.000 0.446 448 D N -1.253 119.169 120.400 0.037 0.000 2.162 448 D HA -0.031 4.610 4.640 0.001 0.000 0.203 448 D C 2.223 178.542 176.300 0.032 0.000 0.967 448 D CA 1.321 55.340 54.000 0.032 0.000 0.840 448 D CB -0.306 40.513 40.800 0.032 0.000 0.972 448 D HN 0.347 nan 8.370 nan 0.000 0.482 449 S N -0.425 115.296 115.700 0.035 0.000 2.368 449 S HA -0.075 4.396 4.470 0.001 0.000 0.224 449 S C 2.071 176.693 174.600 0.035 0.000 1.029 449 S CA 1.602 59.822 58.200 0.034 0.000 0.988 449 S CB -0.512 62.709 63.200 0.034 0.000 0.838 449 S HN 0.330 nan 8.310 nan 0.000 0.462 450 G N 0.337 109.158 108.800 0.036 0.000 2.448 450 G HA2 0.097 4.058 3.960 0.001 0.000 0.218 450 G HA3 0.097 4.058 3.960 0.001 0.000 0.218 450 G C 1.572 176.497 174.900 0.043 0.000 1.135 450 G CA 0.815 45.941 45.100 0.043 0.000 0.784 450 G HN 0.626 nan 8.290 nan 0.000 0.543 451 A N 1.209 124.049 122.820 0.034 0.000 1.873 451 A HA 0.021 4.342 4.320 0.001 0.000 0.215 451 A C 2.346 179.946 177.584 0.027 0.000 1.186 451 A CA 1.759 53.813 52.037 0.029 0.000 0.616 451 A CB -0.292 18.723 19.000 0.024 0.000 0.823 451 A HN 0.290 nan 8.150 nan 0.000 0.442 452 K N -0.305 120.111 120.400 0.027 0.000 1.969 452 K HA -0.146 4.175 4.320 0.001 0.000 0.216 452 K C 0.085 176.702 176.600 0.027 0.000 1.048 452 K CA 1.590 57.892 56.287 0.025 0.000 0.948 452 K CB -0.380 32.135 32.500 0.025 0.000 0.726 452 K HN 0.603 nan 8.250 nan 0.000 0.442 453 D N -0.414 120.007 120.400 0.035 0.000 2.863 453 D HA 0.060 4.701 4.640 0.001 0.000 0.245 453 D C -0.687 175.651 176.300 0.062 0.000 1.211 453 D CA -0.604 53.421 54.000 0.042 0.000 0.888 453 D CB 0.735 41.559 40.800 0.039 0.000 1.483 453 D HN 0.224 nan 8.370 nan 0.000 0.533 454 N N 1.888 120.636 118.700 0.080 0.000 2.327 454 N HA 0.071 4.812 4.740 0.001 0.000 0.231 454 N C -0.521 175.122 175.510 0.222 0.000 1.130 454 N CA -0.588 52.547 53.050 0.141 0.000 0.845 454 N CB 0.414 38.994 38.487 0.154 0.000 1.073 454 N HN 0.123 nan 8.380 nan 0.000 0.496 455 T N 1.301 115.947 114.554 0.153 0.000 2.867 455 T HA 0.025 4.375 4.350 0.001 0.000 0.297 455 T C 0.536 175.313 174.700 0.128 0.000 0.989 455 T CA 0.070 62.267 62.100 0.161 0.000 1.159 455 T CB 1.127 70.053 68.868 0.097 0.000 0.928 455 T HN 0.276 nan 8.240 nan 0.000 0.538 456 L N 3.483 124.779 121.223 0.122 0.000 3.360 456 L HA 0.459 4.799 4.340 0.001 0.000 0.303 456 L C -0.236 176.614 176.870 -0.033 0.000 1.218 456 L CA 0.104 54.931 54.840 -0.021 0.000 1.059 456 L CB 0.765 42.678 42.059 -0.244 0.000 1.468 456 L HN 0.755 nan 8.230 nan 0.000 0.614 457 C N 0.547 119.870 119.300 0.040 0.000 2.832 457 C HA 0.821 5.281 4.460 0.001 0.000 0.383 457 C C 0.128 175.180 174.990 0.104 0.000 1.046 457 C CA -0.362 58.688 59.018 0.054 0.000 1.242 457 C CB 0.268 28.043 27.740 0.057 0.000 1.693 457 C HN 0.463 nan 8.230 nan 0.000 0.497 458 A N 5.260 128.144 122.820 0.107 0.000 2.286 458 A HA 0.660 4.981 4.320 0.001 0.000 0.286 458 A C -0.185 177.533 177.584 0.223 0.000 1.097 458 A CA -0.349 51.767 52.037 0.132 0.000 0.821 458 A CB 0.500 19.560 19.000 0.099 0.000 1.076 458 A HN 0.896 nan 8.150 nan 0.000 0.490 459 K N 1.102 121.606 120.400 0.174 0.000 2.295 459 K HA 0.324 4.645 4.320 0.001 0.000 0.270 459 K C -0.659 176.093 176.600 0.254 0.000 1.011 459 K CA 0.302 56.681 56.287 0.153 0.000 0.953 459 K CB 0.595 33.130 32.500 0.058 0.000 0.956 459 K HN 0.782 nan 8.250 nan 0.000 0.477 460 W N 0.962 122.269 121.300 0.012 0.000 2.989 460 W HA 0.498 5.159 4.660 0.001 0.000 0.344 460 W C -1.572 174.953 176.519 0.010 0.000 1.233 460 W CA -0.737 56.613 57.345 0.009 0.000 1.187 460 W CB 0.895 30.358 29.460 0.006 0.000 1.443 460 W HN 0.437 nan 8.180 nan 0.000 0.573 461 E N 1.231 121.555 120.200 0.206 0.000 2.314 461 E HA 0.460 4.811 4.350 0.001 0.000 0.272 461 E C -1.127 175.632 176.600 0.265 0.000 0.884 461 E CA -0.976 55.410 56.400 -0.024 0.000 0.753 461 E CB 2.250 31.935 29.700 -0.025 0.000 1.213 461 E HN 0.414 nan 8.360 nan 0.000 0.432 462 M N 5.627 125.320 119.600 0.155 0.000 2.184 462 M HA 0.357 4.837 4.480 0.001 0.000 0.351 462 M C -2.315 174.078 176.300 0.155 0.000 1.395 462 M CA -1.660 53.819 55.300 0.299 0.000 1.117 462 M CB 0.718 33.462 32.600 0.241 0.000 1.708 462 M HN 0.214 nan 8.290 nan 0.000 0.468 463 P HA 0.186 nan 4.420 nan 0.000 0.281 463 P C -0.381 176.959 177.300 0.067 0.000 1.249 463 P CA -0.196 62.956 63.100 0.085 0.000 0.810 463 P CB 0.815 32.559 31.700 0.074 0.000 1.008 464 E N 0.547 120.774 120.200 0.045 0.000 2.072 464 E HA -0.124 4.227 4.350 0.001 0.000 0.191 464 E C 0.218 176.837 176.600 0.032 0.000 0.985 464 E CA 1.420 57.842 56.400 0.035 0.000 0.801 464 E CB 0.358 30.072 29.700 0.023 0.000 0.750 464 E HN 0.591 nan 8.360 nan 0.000 0.452 465 E N -0.225 119.990 120.200 0.025 0.000 2.275 465 E HA 0.373 4.724 4.350 0.001 0.000 0.270 465 E C -1.429 175.175 176.600 0.007 0.000 0.882 465 E CA -0.308 56.100 56.400 0.014 0.000 0.758 465 E CB 1.806 31.508 29.700 0.004 0.000 1.195 465 E HN -0.066 nan 8.360 nan 0.000 0.419 466 S N 2.491 118.191 115.700 -0.000 0.000 2.643 466 S HA 0.518 4.988 4.470 0.001 0.000 0.266 466 S C -2.114 172.465 174.600 -0.034 0.000 1.130 466 S CA -0.884 57.307 58.200 -0.015 0.000 0.817 466 S CB 0.946 64.150 63.200 0.008 0.000 1.107 466 S HN 0.522 nan 8.310 nan 0.000 0.471 467 K N 0.300 120.663 120.400 -0.061 0.000 2.508 467 K HA 0.831 5.152 4.320 0.001 0.000 0.260 467 K C -0.525 176.083 176.600 0.013 0.000 0.949 467 K CA -0.957 55.289 56.287 -0.069 0.000 0.834 467 K CB 1.643 33.941 32.500 -0.337 0.000 1.365 467 K HN 0.844 nan 8.250 nan 0.000 0.437 468 G N 0.407 109.297 108.800 0.151 0.000 2.720 468 G HA2 0.517 4.478 3.960 0.001 0.000 0.295 468 G HA3 0.517 4.478 3.960 0.001 0.000 0.295 468 G C -2.018 172.937 174.900 0.092 0.000 1.437 468 G CA -0.708 44.458 45.100 0.110 0.000 0.886 468 G HN 0.503 nan 8.290 nan 0.000 0.509 469 V N 0.240 120.079 119.914 -0.125 0.000 2.656 469 V HA 0.924 5.044 4.120 0.001 0.000 0.307 469 V C 0.152 175.941 176.094 -0.509 0.000 1.051 469 V CA 0.118 62.093 62.300 -0.543 0.000 0.893 469 V CB 1.823 33.078 31.823 -0.945 0.000 0.999 469 V HN 1.406 nan 8.190 nan 0.000 0.426 470 G N 6.381 114.839 108.800 -0.571 0.000 2.478 470 G HA2 0.679 4.639 3.960 0.001 0.000 0.317 470 G HA3 0.679 4.639 3.960 0.001 0.000 0.317 470 G C -1.378 173.174 174.900 -0.579 0.000 1.259 470 G CA -0.636 44.177 45.100 -0.479 0.000 0.933 470 G HN 0.789 nan 8.290 nan 0.000 0.478 471 L N 1.384 122.248 121.223 -0.598 0.000 2.346 471 L HA 0.874 5.214 4.340 0.001 0.000 0.274 471 L C 0.234 176.777 176.870 -0.546 0.000 1.007 471 L CA -0.885 53.594 54.840 -0.602 0.000 0.818 471 L CB 2.197 43.789 42.059 -0.777 0.000 1.284 471 L HN 0.667 nan 8.230 nan 0.000 0.424 472 A N 1.409 124.088 122.820 -0.236 0.000 2.594 472 A HA 0.574 4.894 4.320 0.001 0.000 0.295 472 A C -1.780 175.834 177.584 0.050 0.000 1.071 472 A CA -0.562 51.383 52.037 -0.154 0.000 0.685 472 A CB 1.738 20.606 19.000 -0.220 0.000 1.285 472 A HN 0.685 nan 8.150 nan 0.000 0.405 473 D N 1.286 121.734 120.400 0.079 0.000 2.467 473 D HA 0.571 5.212 4.640 0.001 0.000 0.220 473 D C 0.588 176.965 176.300 0.127 0.000 1.103 473 D CA 0.492 54.558 54.000 0.110 0.000 0.886 473 D CB 1.208 42.119 40.800 0.185 0.000 1.025 473 D HN 0.844 nan 8.370 nan 0.000 0.514 474 A N 4.007 126.848 122.820 0.035 0.000 2.292 474 A HA 0.353 4.674 4.320 0.001 0.000 0.265 474 A C -1.261 176.238 177.584 -0.140 0.000 1.133 474 A CA -0.826 51.201 52.037 -0.017 0.000 0.807 474 A CB 0.042 18.993 19.000 -0.081 0.000 1.102 474 A HN 0.400 nan 8.150 nan 0.000 0.502 475 P HA -0.137 nan 4.420 nan 0.000 0.216 475 P C 1.055 178.305 177.300 -0.084 0.000 1.150 475 P CA 1.571 64.373 63.100 -0.496 0.000 0.843 475 P CB 0.048 31.533 31.700 -0.359 0.000 0.787 476 R N -1.715 118.772 120.500 -0.021 0.000 2.297 476 R HA 0.354 4.695 4.340 0.001 0.000 0.197 476 R C 1.140 177.477 176.300 0.061 0.000 0.943 476 R CA 0.512 56.640 56.100 0.047 0.000 1.038 476 R CB 0.071 30.417 30.300 0.076 0.000 0.957 476 R HN 0.242 nan 8.270 nan 0.000 0.484 477 G N -0.005 108.813 108.800 0.031 0.000 2.260 477 G HA2 0.085 4.045 3.960 0.001 0.000 0.250 477 G HA3 0.085 4.045 3.960 0.001 0.000 0.250 477 G C -1.498 173.363 174.900 -0.064 0.000 1.340 477 G CA -0.567 44.532 45.100 -0.003 0.000 1.056 477 G HN 0.159 nan 8.290 nan 0.000 0.471 478 A N -0.166 122.503 122.820 -0.253 0.000 2.438 478 A HA 0.592 4.912 4.320 0.001 0.000 0.280 478 A C -0.088 177.446 177.584 -0.083 0.000 1.160 478 A CA 0.389 52.135 52.037 -0.485 0.000 0.821 478 A CB 0.288 18.409 19.000 -1.465 0.000 1.101 478 A HN 1.924 nan 8.150 nan 0.000 0.515 479 L N 3.675 124.996 121.223 0.163 0.000 2.317 479 L HA 0.754 5.094 4.340 0.001 0.000 0.281 479 L C 0.053 177.099 176.870 0.293 0.000 1.024 479 L CA 0.232 55.214 54.840 0.236 0.000 0.810 479 L CB 1.908 43.977 42.059 0.018 0.000 1.240 479 L HN 0.662 nan 8.230 nan 0.000 0.427 480 S N 2.346 118.234 115.700 0.313 0.000 2.575 480 S HA 0.591 5.061 4.470 0.001 0.000 0.278 480 S C -0.934 173.715 174.600 0.082 0.000 1.139 480 S CA -0.749 57.449 58.200 -0.004 0.000 0.954 480 S CB 0.797 63.973 63.200 -0.041 0.000 1.054 480 S HN 0.766 nan 8.310 nan 0.000 0.483 481 H N 0.862 119.702 119.070 -0.382 0.000 2.457 481 H HA 0.474 5.031 4.556 0.001 0.000 0.335 481 H C -1.418 173.498 175.328 -0.686 0.000 1.115 481 H CA -0.721 55.140 56.048 -0.312 0.000 1.219 481 H CB 1.187 30.878 29.762 -0.118 0.000 1.471 481 H HN 0.609 nan 8.280 nan 0.000 0.491 482 W N 4.011 125.065 121.300 -0.409 0.000 2.683 482 W HA 0.476 5.137 4.660 0.001 0.000 0.329 482 W C -0.684 175.533 176.519 -0.503 0.000 1.037 482 W CA -0.575 56.518 57.345 -0.419 0.000 1.232 482 W CB 1.075 30.263 29.460 -0.454 0.000 1.390 482 W HN 0.331 nan 8.180 nan 0.000 0.465 483 I N 3.411 123.924 120.570 -0.094 0.000 2.569 483 I HA 0.551 4.721 4.170 0.001 0.000 0.296 483 I C -0.464 175.725 176.117 0.120 0.000 1.028 483 I CA -1.185 60.026 61.300 -0.149 0.000 1.082 483 I CB 1.229 39.105 38.000 -0.207 0.000 1.264 483 I HN 0.345 nan 8.210 nan 0.000 0.429 484 R N 7.699 128.257 120.500 0.096 0.000 2.393 484 R HA 0.579 4.920 4.340 0.001 0.000 0.315 484 R C -1.278 175.061 176.300 0.064 0.000 0.952 484 R CA -0.732 55.408 56.100 0.068 0.000 0.842 484 R CB 1.943 32.284 30.300 0.068 0.000 1.163 484 R HN 0.577 nan 8.270 nan 0.000 0.450 485 I N 2.635 123.232 120.570 0.044 0.000 2.377 485 I HA 0.351 4.521 4.170 0.001 0.000 0.293 485 I C -0.170 175.969 176.117 0.037 0.000 0.987 485 I CA -0.486 60.846 61.300 0.053 0.000 1.185 485 I CB 1.724 39.758 38.000 0.058 0.000 1.341 485 I HN 0.322 nan 8.210 nan 0.000 0.455 486 K N 4.188 124.612 120.400 0.040 0.000 2.535 486 K HA 0.493 4.813 4.320 0.001 0.000 0.251 486 K C 0.173 176.791 176.600 0.031 0.000 0.942 486 K CA -0.308 55.996 56.287 0.029 0.000 0.798 486 K CB 1.835 34.349 32.500 0.023 0.000 1.267 486 K HN 0.771 nan 8.250 nan 0.000 0.434 487 G N 3.711 112.527 108.800 0.027 0.000 2.249 487 G HA2 -0.336 3.625 3.960 0.001 0.000 0.273 487 G HA3 -0.336 3.625 3.960 0.001 0.000 0.273 487 G C -0.009 174.913 174.900 0.035 0.000 1.036 487 G CA 0.851 45.967 45.100 0.027 0.000 0.824 487 G HN 0.864 nan 8.290 nan 0.000 0.504 488 K N -2.353 118.074 120.400 0.045 0.000 3.130 488 K HA -0.223 4.097 4.320 0.001 0.000 0.282 488 K C 0.829 177.468 176.600 0.065 0.000 1.145 488 K CA 1.883 58.208 56.287 0.062 0.000 0.831 488 K CB -0.577 31.959 32.500 0.060 0.000 1.226 488 K HN 0.535 nan 8.250 nan 0.000 0.478 489 K N 0.148 120.581 120.400 0.055 0.000 2.378 489 K HA 0.474 4.794 4.320 0.001 0.000 0.244 489 K C 0.207 176.844 176.600 0.061 0.000 1.039 489 K CA -0.892 55.425 56.287 0.052 0.000 0.863 489 K CB 0.995 33.516 32.500 0.034 0.000 1.326 489 K HN -0.005 nan 8.250 nan 0.000 0.460 490 I N 1.831 122.438 120.570 0.061 0.000 2.436 490 I HA -0.052 4.118 4.170 0.001 0.000 0.289 490 I C 1.008 177.169 176.117 0.072 0.000 1.083 490 I CA 0.331 61.687 61.300 0.092 0.000 1.372 490 I CB 0.434 38.492 38.000 0.096 0.000 1.408 490 I HN 0.606 nan 8.210 nan 0.000 0.516 491 D N 4.626 125.073 120.400 0.079 0.000 2.262 491 D HA -0.007 4.634 4.640 0.001 0.000 0.212 491 D C 0.301 176.649 176.300 0.079 0.000 0.964 491 D CA 0.874 54.912 54.000 0.063 0.000 0.875 491 D CB 0.463 41.293 40.800 0.050 0.000 0.996 491 D HN 0.416 nan 8.370 nan 0.000 0.497 492 N N -0.763 118.002 118.700 0.108 0.000 2.287 492 N HA 0.291 5.031 4.740 0.001 0.000 0.289 492 N C -2.114 173.509 175.510 0.187 0.000 1.066 492 N CA -0.573 52.555 53.050 0.129 0.000 0.841 492 N CB 1.145 39.697 38.487 0.110 0.000 1.599 492 N HN -0.060 nan 8.380 nan 0.000 0.476 493 F N 2.279 122.257 119.950 0.046 0.000 2.617 493 F HA 0.428 4.956 4.527 0.001 0.000 0.325 493 F C -1.129 174.685 175.800 0.024 0.000 1.179 493 F CA -0.426 57.595 58.000 0.036 0.000 0.965 493 F CB 1.277 40.259 39.000 -0.029 0.000 1.232 493 F HN 0.245 nan 8.300 nan 0.000 0.461 494 Q N 6.030 125.893 119.800 0.104 0.000 2.330 494 Q HA 0.487 4.827 4.340 0.001 0.000 0.269 494 Q C -1.453 174.632 176.000 0.142 0.000 1.022 494 Q CA -0.987 54.897 55.803 0.134 0.000 0.796 494 Q CB 2.894 31.654 28.738 0.035 0.000 1.271 494 Q HN 0.564 nan 8.270 nan 0.000 0.450 495 L N 1.961 123.213 121.223 0.049 0.000 2.289 495 L HA 0.473 4.814 4.340 0.001 0.000 0.285 495 L C -0.239 176.673 176.870 0.070 0.000 1.049 495 L CA -0.589 54.213 54.840 -0.064 0.000 0.804 495 L CB 1.565 43.288 42.059 -0.560 0.000 1.195 495 L HN 0.259 nan 8.230 nan 0.000 0.428 496 V N 4.104 124.187 119.914 0.282 0.000 2.349 496 V HA 0.514 4.634 4.120 0.001 0.000 0.284 496 V C -0.106 176.215 176.094 0.378 0.000 1.014 496 V CA -0.684 61.782 62.300 0.277 0.000 0.826 496 V CB 1.535 33.524 31.823 0.276 0.000 1.009 496 V HN 0.454 nan 8.190 nan 0.000 0.431 497 V N 7.022 127.128 119.914 0.321 0.000 2.630 497 V HA 0.378 4.498 4.120 0.001 0.000 0.305 497 V C -1.262 175.078 176.094 0.409 0.000 1.046 497 V CA -1.666 60.853 62.300 0.365 0.000 0.934 497 V CB 2.148 34.191 31.823 0.368 0.000 1.003 497 V HN 0.559 nan 8.190 nan 0.000 0.451 498 P HA -0.125 nan 4.420 nan 0.000 0.216 498 P C 1.571 179.063 177.300 0.321 0.000 1.153 498 P CA 1.404 64.706 63.100 0.337 0.000 0.858 498 P CB 0.204 32.006 31.700 0.169 0.000 0.789 499 S N -0.993 114.862 115.700 0.258 0.000 2.447 499 S HA -0.086 4.385 4.470 0.001 0.000 0.233 499 S C 1.789 176.505 174.600 0.193 0.000 1.006 499 S CA 1.587 59.917 58.200 0.217 0.000 0.957 499 S CB -1.164 62.154 63.200 0.198 0.000 0.773 499 S HN 0.333 nan 8.310 nan 0.000 0.507 500 T N 0.623 115.299 114.554 0.204 0.000 2.737 500 T HA -0.124 4.227 4.350 0.001 0.000 0.265 500 T C 1.339 176.051 174.700 0.020 0.000 1.038 500 T CA 1.099 63.252 62.100 0.088 0.000 1.144 500 T CB -0.445 68.446 68.868 0.039 0.000 0.866 500 T HN 0.545 nan 8.240 nan 0.000 0.434 501 W N 2.051 123.386 121.300 0.059 0.000 2.335 501 W HA -0.093 4.568 4.660 0.001 0.000 0.311 501 W C 2.496 179.009 176.519 -0.011 0.000 1.213 501 W CA 0.659 58.014 57.345 0.015 0.000 1.274 501 W CB -0.411 29.054 29.460 0.008 0.000 1.148 501 W HN 0.190 nan 8.180 nan 0.000 0.498 502 N N -0.623 118.223 118.700 0.243 0.000 2.290 502 N HA 0.000 4.741 4.740 0.001 0.000 0.179 502 N C 1.244 176.685 175.510 -0.114 0.000 1.016 502 N CA 1.122 54.215 53.050 0.072 0.000 0.871 502 N CB -0.359 38.224 38.487 0.160 0.000 0.987 502 N HN 0.149 nan 8.380 nan 0.000 0.431 503 L N -0.421 120.785 121.223 -0.028 0.000 3.069 503 L HA 0.383 4.724 4.340 0.001 0.000 0.271 503 L C 1.102 177.974 176.870 0.003 0.000 1.201 503 L CA -0.331 54.480 54.840 -0.049 0.000 1.015 503 L CB 0.754 42.815 42.059 0.003 0.000 1.371 503 L HN -0.086 nan 8.230 nan 0.000 0.574 504 G N 0.996 109.793 108.800 -0.005 0.000 2.716 504 G HA2 0.276 4.236 3.960 0.001 0.000 0.251 504 G HA3 0.276 4.236 3.960 0.001 0.000 0.251 504 G C -2.330 172.536 174.900 -0.057 0.000 1.224 504 G CA -0.506 44.577 45.100 -0.029 0.000 0.891 504 G HN -0.098 nan 8.290 nan 0.000 0.561 505 P HA 0.225 nan 4.420 nan 0.000 0.297 505 P C -0.154 177.067 177.300 -0.133 0.000 1.303 505 P CA -0.712 62.274 63.100 -0.190 0.000 0.753 505 P CB 0.928 32.231 31.700 -0.661 0.000 1.281 506 R N -0.976 119.429 120.500 -0.158 0.000 2.811 506 R HA 0.370 4.711 4.340 0.001 0.000 0.265 506 R C 1.211 177.455 176.300 -0.094 0.000 1.026 506 R CA 0.458 56.414 56.100 -0.241 0.000 1.142 506 R CB -0.559 29.375 30.300 -0.610 0.000 1.027 506 R HN 0.581 nan 8.270 nan 0.000 0.465 507 G N -0.248 108.532 108.800 -0.033 0.000 2.531 507 G HA2 0.359 4.320 3.960 0.001 0.000 0.281 507 G HA3 0.359 4.320 3.960 0.001 0.000 0.281 507 G C 0.542 175.555 174.900 0.187 0.000 1.382 507 G CA -0.062 45.078 45.100 0.068 0.000 1.045 507 G HN 0.614 nan 8.290 nan 0.000 0.533 508 A N -1.313 121.605 122.820 0.163 0.000 2.067 508 A HA -0.016 4.305 4.320 0.001 0.000 0.219 508 A C 2.089 179.765 177.584 0.152 0.000 1.158 508 A CA 1.542 53.668 52.037 0.149 0.000 0.661 508 A CB -0.350 18.703 19.000 0.088 0.000 0.801 508 A HN 0.621 nan 8.150 nan 0.000 0.452 509 Q N -1.254 118.621 119.800 0.125 0.000 2.444 509 Q HA 0.250 4.591 4.340 0.001 0.000 0.206 509 Q C 1.078 177.136 176.000 0.095 0.000 0.948 509 Q CA 0.305 56.164 55.803 0.094 0.000 0.946 509 Q CB -0.023 28.753 28.738 0.063 0.000 1.027 509 Q HN 0.825 nan 8.270 nan 0.000 0.513 510 G N 2.677 111.561 108.800 0.140 0.000 2.153 510 G HA2 -0.245 3.716 3.960 0.001 0.000 0.252 510 G HA3 -0.245 3.716 3.960 0.001 0.000 0.252 510 G C -0.426 174.377 174.900 -0.161 0.000 0.994 510 G CA 0.352 45.434 45.100 -0.031 0.000 0.698 510 G HN 0.551 nan 8.290 nan 0.000 0.521 511 D N 0.583 120.928 120.400 -0.092 0.000 2.317 511 D HA 0.333 4.974 4.640 0.001 0.000 0.252 511 D C 0.499 176.715 176.300 -0.140 0.000 1.174 511 D CA -0.346 53.596 54.000 -0.097 0.000 0.866 511 D CB 1.023 41.801 40.800 -0.036 0.000 1.127 511 D HN 0.294 nan 8.370 nan 0.000 0.467 512 K N 1.353 121.651 120.400 -0.170 0.000 2.550 512 K HA 0.014 4.335 4.320 0.001 0.000 0.280 512 K C 0.911 177.439 176.600 -0.120 0.000 0.987 512 K CA 0.058 56.237 56.287 -0.180 0.000 1.048 512 K CB 0.378 32.758 32.500 -0.200 0.000 0.879 512 K HN 0.672 nan 8.250 nan 0.000 0.491 513 S N 3.024 118.655 115.700 -0.114 0.000 2.617 513 S HA 0.111 4.582 4.470 0.001 0.000 0.259 513 S C -1.781 172.756 174.600 -0.105 0.000 1.301 513 S CA -1.231 56.916 58.200 -0.087 0.000 0.984 513 S CB 0.756 63.905 63.200 -0.086 0.000 0.954 513 S HN 0.342 nan 8.310 nan 0.000 0.572 514 P HA -0.084 nan 4.420 nan 0.000 0.215 514 P C 1.698 178.836 177.300 -0.268 0.000 1.153 514 P CA 0.639 63.680 63.100 -0.099 0.000 0.853 514 P CB -0.142 31.552 31.700 -0.011 0.000 0.788 515 V N 0.071 119.672 119.914 -0.522 0.000 2.358 515 V HA -0.235 3.886 4.120 0.001 0.000 0.246 515 V C 2.062 178.030 176.094 -0.209 0.000 1.047 515 V CA 1.962 63.899 62.300 -0.606 0.000 1.035 515 V CB -0.906 30.571 31.823 -0.576 0.000 0.658 515 V HN 0.082 nan 8.190 nan 0.000 0.452 516 E N -0.461 119.636 120.200 -0.172 0.000 2.110 516 E HA -0.269 4.082 4.350 0.001 0.000 0.193 516 E C 2.139 178.659 176.600 -0.133 0.000 0.988 516 E CA 1.428 57.735 56.400 -0.155 0.000 0.804 516 E CB -0.093 29.484 29.700 -0.205 0.000 0.745 516 E HN 0.604 nan 8.360 nan 0.000 0.458 517 E N 1.039 121.177 120.200 -0.103 0.000 2.031 517 E HA -0.149 4.202 4.350 0.001 0.000 0.193 517 E C 1.908 178.512 176.600 0.007 0.000 0.994 517 E CA 1.428 57.793 56.400 -0.058 0.000 0.800 517 E CB -0.289 29.388 29.700 -0.039 0.000 0.752 517 E HN 0.222 nan 8.360 nan 0.000 0.447 518 A N 0.353 123.220 122.820 0.078 0.000 1.940 518 A HA -0.153 4.167 4.320 0.001 0.000 0.219 518 A C 2.287 179.954 177.584 0.139 0.000 1.176 518 A CA 1.423 53.571 52.037 0.184 0.000 0.631 518 A CB -0.735 18.522 19.000 0.429 0.000 0.814 518 A HN 0.357 nan 8.150 nan 0.000 0.446 519 L N 0.123 121.397 121.223 0.085 0.000 2.376 519 L HA -0.020 4.321 4.340 0.001 0.000 0.219 519 L C 0.046 176.935 176.870 0.031 0.000 1.133 519 L CA -0.230 54.654 54.840 0.073 0.000 0.816 519 L CB -0.293 41.792 42.059 0.043 0.000 0.933 519 L HN 0.252 nan 8.230 nan 0.000 0.449 520 I N 0.894 121.462 120.570 -0.004 0.000 2.668 520 I HA 0.039 4.210 4.170 0.001 0.000 0.285 520 I C 1.467 177.579 176.117 -0.007 0.000 1.168 520 I CA 0.976 62.262 61.300 -0.023 0.000 1.424 520 I CB -0.277 37.694 38.000 -0.049 0.000 1.377 520 I HN 0.348 nan 8.210 nan 0.000 0.560 521 G N 4.506 113.301 108.800 -0.009 0.000 2.175 521 G HA2 -0.236 3.724 3.960 0.001 0.000 0.244 521 G HA3 -0.236 3.724 3.960 0.001 0.000 0.244 521 G C 0.506 175.386 174.900 -0.033 0.000 0.982 521 G CA 0.072 45.161 45.100 -0.019 0.000 0.641 521 G HN 0.580 nan 8.290 nan 0.000 0.527 522 T N 4.359 118.908 114.554 -0.008 0.000 2.829 522 T HA 0.441 4.792 4.350 0.001 0.000 0.293 522 T C -1.808 172.898 174.700 0.010 0.000 0.970 522 T CA 0.148 62.241 62.100 -0.011 0.000 1.168 522 T CB 1.556 70.471 68.868 0.078 0.000 0.911 522 T HN 0.302 nan 8.240 nan 0.000 0.535 523 P HA 0.334 nan 4.420 nan 0.000 0.278 523 P C -0.749 176.617 177.300 0.109 0.000 1.238 523 P CA -0.501 62.622 63.100 0.039 0.000 0.794 523 P CB 0.755 32.463 31.700 0.013 0.000 0.955 524 I N 2.253 122.894 120.570 0.119 0.000 2.420 524 I HA 0.197 4.368 4.170 0.001 0.000 0.282 524 I C 1.362 177.549 176.117 0.116 0.000 1.019 524 I CA -0.746 60.627 61.300 0.123 0.000 1.130 524 I CB 0.916 38.980 38.000 0.106 0.000 1.262 524 I HN 0.374 nan 8.210 nan 0.000 0.454 525 A N 4.469 127.377 122.820 0.147 0.000 1.968 525 A HA -0.072 4.249 4.320 0.001 0.000 0.217 525 A C 0.648 178.242 177.584 0.017 0.000 1.169 525 A CA 1.324 53.430 52.037 0.114 0.000 0.638 525 A CB -0.072 19.035 19.000 0.180 0.000 0.812 525 A HN 0.684 nan 8.150 nan 0.000 0.446 526 D N -2.219 118.172 120.400 -0.015 0.000 2.478 526 D HA 0.248 4.889 4.640 0.001 0.000 0.240 526 D C -2.358 173.851 176.300 -0.151 0.000 1.364 526 D CA -1.639 52.292 54.000 -0.114 0.000 0.987 526 D CB 1.633 42.284 40.800 -0.248 0.000 1.328 526 D HN -0.049 nan 8.370 nan 0.000 0.584 527 P HA -0.126 nan 4.420 nan 0.000 0.226 527 P C 1.069 178.142 177.300 -0.378 0.000 1.153 527 P CA 0.535 63.365 63.100 -0.451 0.000 0.777 527 P CB 0.631 31.691 31.700 -1.066 0.000 0.794 528 K N 0.818 121.049 120.400 -0.283 0.000 2.217 528 K HA -0.032 4.289 4.320 0.001 0.000 0.202 528 K C 0.967 177.395 176.600 -0.288 0.000 1.051 528 K CA 0.886 57.040 56.287 -0.221 0.000 0.952 528 K CB 0.040 32.451 32.500 -0.148 0.000 0.736 528 K HN 0.013 nan 8.250 nan 0.000 0.453 529 R N 0.723 121.004 120.500 -0.366 0.000 2.653 529 R HA 0.203 4.544 4.340 0.001 0.000 0.269 529 R C -2.448 173.527 176.300 -0.542 0.000 1.603 529 R CA -1.264 54.372 56.100 -0.773 0.000 1.671 529 R CB 1.404 31.509 30.300 -0.324 0.000 1.300 529 R HN 0.053 nan 8.270 nan 0.000 0.668 530 P HA -0.022 nan 4.420 nan 0.000 0.226 530 P C 0.983 178.254 177.300 -0.048 0.000 1.783 530 P CA 0.120 63.132 63.100 -0.146 0.000 0.980 530 P CB 0.649 32.297 31.700 -0.087 0.000 1.967 531 V N 1.935 121.818 119.914 -0.052 0.000 2.568 531 V HA -0.268 3.853 4.120 0.001 0.000 0.253 531 V C 1.925 177.952 176.094 -0.112 0.000 1.072 531 V CA 2.143 64.439 62.300 -0.007 0.000 1.084 531 V CB -0.625 31.099 31.823 -0.164 0.000 0.676 531 V HN 0.161 nan 8.190 nan 0.000 0.469 532 E N 0.347 120.543 120.200 -0.007 0.000 2.110 532 E HA -0.155 4.196 4.350 0.001 0.000 0.193 532 E C 1.949 178.642 176.600 0.155 0.000 0.988 532 E CA 1.782 58.266 56.400 0.140 0.000 0.804 532 E CB -0.367 29.581 29.700 0.413 0.000 0.745 532 E HN 0.688 nan 8.360 nan 0.000 0.458 533 I N 0.573 121.205 120.570 0.103 0.000 2.208 533 I HA -0.304 3.867 4.170 0.001 0.000 0.245 533 I C 2.083 178.203 176.117 0.004 0.000 1.097 533 I CA 1.096 62.447 61.300 0.084 0.000 1.363 533 I CB -0.286 37.756 38.000 0.071 0.000 1.051 533 I HN 0.121 nan 8.210 nan 0.000 0.413 534 L N -0.073 121.103 121.223 -0.079 0.000 2.056 534 L HA -0.167 4.174 4.340 0.001 0.000 0.207 534 L C 2.775 179.499 176.870 -0.244 0.000 1.078 534 L CA 1.257 55.934 54.840 -0.271 0.000 0.749 534 L CB -0.634 41.312 42.059 -0.189 0.000 0.901 534 L HN 0.167 nan 8.230 nan 0.000 0.433 535 R N -0.540 119.804 120.500 -0.260 0.000 2.096 535 R HA -0.165 4.176 4.340 0.001 0.000 0.240 535 R C 2.304 178.659 176.300 0.092 0.000 1.139 535 R CA 2.065 57.962 56.100 -0.339 0.000 0.952 535 R CB -0.642 28.949 30.300 -1.181 0.000 0.854 535 R HN 0.317 nan 8.270 nan 0.000 0.436 536 T N 0.400 115.061 114.554 0.178 0.000 2.809 536 T HA -0.045 4.305 4.350 0.001 0.000 0.260 536 T C 1.980 176.893 174.700 0.355 0.000 1.039 536 T CA 1.075 63.382 62.100 0.345 0.000 1.141 536 T CB -0.028 69.076 68.868 0.394 0.000 0.869 536 T HN -0.019 nan 8.240 nan 0.000 0.437 537 V N 1.146 121.182 119.914 0.204 0.000 2.295 537 V HA -0.224 3.897 4.120 0.001 0.000 0.246 537 V C 2.134 178.361 176.094 0.222 0.000 1.049 537 V CA 1.831 64.242 62.300 0.184 0.000 1.024 537 V CB -0.750 31.080 31.823 0.011 0.000 0.648 537 V HN 0.654 nan 8.190 nan 0.000 0.447 538 H N -0.191 118.946 119.070 0.113 0.000 2.421 538 H HA -0.061 4.496 4.556 0.001 0.000 0.298 538 H C 2.288 177.539 175.328 -0.128 0.000 1.087 538 H CA 0.929 56.968 56.048 -0.014 0.000 1.330 538 H CB -0.089 29.570 29.762 -0.172 0.000 1.388 538 H HN 0.471 nan 8.280 nan 0.000 0.526 539 A N 0.621 123.464 122.820 0.038 0.000 1.978 539 A HA -0.178 4.143 4.320 0.001 0.000 0.220 539 A C 1.674 179.244 177.584 -0.023 0.000 1.170 539 A CA 1.245 53.313 52.037 0.052 0.000 0.636 539 A CB -0.749 18.358 19.000 0.178 0.000 0.810 539 A HN 0.354 nan 8.150 nan 0.000 0.448 540 F N -0.651 119.346 119.950 0.078 0.000 2.661 540 F HA 0.068 4.595 4.527 0.001 0.000 0.298 540 F C 0.767 176.564 175.800 -0.005 0.000 1.137 540 F CA 0.775 58.810 58.000 0.057 0.000 1.454 540 F CB 0.078 39.130 39.000 0.086 0.000 1.103 540 F HN 0.304 nan 8.300 nan 0.000 0.577 541 D N 0.231 120.689 120.400 0.097 0.000 2.828 541 D HA -0.145 4.495 4.640 0.001 0.000 0.241 541 D C -2.629 173.729 176.300 0.098 0.000 1.142 541 D CA -0.150 53.796 54.000 -0.091 0.000 0.755 541 D CB -0.540 39.979 40.800 -0.467 0.000 1.014 541 D HN 0.077 nan 8.370 nan 0.000 0.420 542 P HA 0.142 nan 4.420 nan 0.000 0.268 542 P C -0.209 177.186 177.300 0.159 0.000 1.204 542 P CA -0.498 62.710 63.100 0.180 0.000 0.768 542 P CB 1.157 32.970 31.700 0.187 0.000 0.842 543 C N 6.003 125.397 119.300 0.156 0.000 2.407 543 C HA 0.322 4.783 4.460 0.001 0.000 0.328 543 C C 1.405 176.494 174.990 0.165 0.000 1.137 543 C CA -0.495 58.615 59.018 0.152 0.000 1.390 543 C CB -1.021 26.817 27.740 0.163 0.000 1.989 543 C HN 0.482 nan 8.230 nan 0.000 0.432 544 I N 3.902 124.559 120.570 0.144 0.000 2.584 544 I HA 0.036 4.207 4.170 0.001 0.000 0.255 544 I C 2.543 178.758 176.117 0.164 0.000 1.145 544 I CA 1.467 62.865 61.300 0.164 0.000 1.462 544 I CB -1.662 36.438 38.000 0.166 0.000 1.102 544 I HN 0.750 nan 8.210 nan 0.000 0.433 545 A N 0.319 123.220 122.820 0.135 0.000 1.902 545 A HA -0.230 4.091 4.320 0.001 0.000 0.217 545 A C 2.616 180.303 177.584 0.171 0.000 1.181 545 A CA 1.904 54.015 52.037 0.124 0.000 0.623 545 A CB -1.211 17.850 19.000 0.102 0.000 0.818 545 A HN 0.471 nan 8.150 nan 0.000 0.443 546 C N -1.207 118.226 119.300 0.222 0.000 2.436 546 C HA 0.009 4.470 4.460 0.001 0.000 0.277 546 C C 3.052 178.273 174.990 0.386 0.000 1.241 546 C CA 0.892 60.099 59.018 0.316 0.000 1.721 546 C CB -1.528 26.411 27.740 0.331 0.000 2.043 546 C HN 0.700 nan 8.230 nan 0.000 0.472 547 G N -0.341 108.635 108.800 0.294 0.000 2.418 547 G HA2 -0.127 3.834 3.960 0.001 0.000 0.217 547 G HA3 -0.127 3.834 3.960 0.001 0.000 0.217 547 G C 1.590 176.616 174.900 0.209 0.000 1.158 547 G CA 1.495 46.759 45.100 0.274 0.000 0.771 547 G HN 0.430 nan 8.290 nan 0.000 0.545 548 V N 1.739 121.723 119.914 0.117 0.000 2.500 548 V HA 0.080 4.201 4.120 0.001 0.000 0.243 548 V C 1.250 176.984 176.094 -0.601 0.000 1.039 548 V CA 0.860 63.112 62.300 -0.080 0.000 1.053 548 V CB -0.913 30.999 31.823 0.149 0.000 0.695 548 V HN 0.779 nan 8.190 nan 0.000 0.463 549 H N 0.000 119.080 119.070 0.017 0.000 2.539 549 H HA 0.000 4.557 4.556 0.001 0.000 0.296 549 H CA 0.000 55.987 56.048 -0.102 0.000 1.023 549 H CB 0.000 29.706 29.762 -0.093 0.000 1.292 549 H HN 0.000 nan 8.280 nan 0.000 0.496