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 3e3k_1_B DATA FIRST_RESID 3 DATA SEQUENCE PDEITTAWPV NVGPLNPHLY TPNQMFAQSM VYEPLVKYQA DGSVIPWLAK DATA SEQUENCE SWTHSEDGKT WTFTLRDDVK FSNGEPFDAE AAAENFRAVL DNRQRHAWLE DATA SEQUENCE LANQIVDVKA LSKTELQITL KSAYYPFLQE LALPRPFRFI APSQFKNHET DATA SEQUENCE MNGIKAPIGT GPWILQESKL NQYDVFVRNE NYWGEKPAIK KITFNVIPDP DATA SEQUENCE TTRAVAFETG DIDLLYGNEG LLPLDTFARF SQNPAYHTQL SQPIETVMLA DATA SEQUENCE LNTAKAPTNE LAVREALNYA VNKKSLIDNA LYGTQQVADT LFAPSVPYAN DATA SEQUENCE LGLKPSQYDP QKAKALLEKA GWTLPAGKDI REKNGQPLRI ELSFIGTDAL DATA SEQUENCE SKSMAEIIQA DMRQIGADVS LIGEEESSIY ARQRDGRFGM IFHRTWGAPY DATA SEQUENCE DPHAFLSSMR VPSHADFQAQ QGLADKPLID KEIGEVLATH DETQRQALYR DATA SEQUENCE DILTRLHDEA VYLPISYISM MVVSKPELGN IPYAPIATEI PFEQIKPVKP 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 3 P HA 0.000 nan 4.420 nan 0.000 0.216 3 P C 0.000 177.305 177.300 0.008 0.000 1.155 3 P CA 0.000 63.099 63.100 -0.002 0.000 0.800 3 P CB 0.000 31.699 31.700 -0.002 0.000 0.726 4 D N 0.991 121.398 120.400 0.012 0.000 2.723 4 D HA -0.184 4.457 4.640 0.001 0.000 0.236 4 D C -0.028 176.293 176.300 0.035 0.000 1.138 4 D CA 1.892 55.907 54.000 0.025 0.000 0.676 4 D CB -1.059 39.755 40.800 0.023 0.000 1.069 4 D HN 0.821 nan 8.370 nan 0.000 0.430 5 E N -0.009 120.204 120.200 0.021 0.000 2.558 5 E HA 0.293 4.644 4.350 0.001 0.000 0.345 5 E C -0.432 176.156 176.600 -0.020 0.000 0.928 5 E CA -0.826 55.584 56.400 0.015 0.000 0.774 5 E CB 0.522 30.232 29.700 0.017 0.000 1.462 5 E HN 0.338 nan 8.360 nan 0.000 0.387 6 I N 0.233 120.772 120.570 -0.051 0.000 3.062 6 I HA 0.738 4.909 4.170 0.001 0.000 0.318 6 I C -0.701 175.333 176.117 -0.137 0.000 1.026 6 I CA -0.624 60.629 61.300 -0.079 0.000 1.096 6 I CB 2.253 40.214 38.000 -0.066 0.000 1.348 6 I HN 0.335 nan 8.210 nan 0.000 0.543 7 T N 1.705 116.186 114.554 -0.122 0.000 2.928 7 T HA 0.521 4.872 4.350 0.001 0.000 0.296 7 T C -0.205 174.419 174.700 -0.127 0.000 1.000 7 T CA -0.545 61.468 62.100 -0.144 0.000 0.989 7 T CB 1.657 70.477 68.868 -0.080 0.000 1.005 7 T HN 0.937 nan 8.240 nan 0.000 0.442 8 T N 0.061 114.483 114.554 -0.221 0.000 2.718 8 T HA 0.958 5.309 4.350 0.001 0.000 0.267 8 T C -0.624 174.085 174.700 0.014 0.000 0.957 8 T CA -1.050 60.982 62.100 -0.113 0.000 1.025 8 T CB 1.595 70.339 68.868 -0.206 0.000 1.355 8 T HN 0.828 nan 8.240 nan 0.000 0.572 9 A N -0.508 122.403 122.820 0.151 0.000 2.539 9 A HA 0.704 5.025 4.320 0.001 0.000 0.296 9 A C -1.991 175.874 177.584 0.468 0.000 1.073 9 A CA -0.854 51.343 52.037 0.267 0.000 0.700 9 A CB 1.548 20.657 19.000 0.182 0.000 1.296 9 A HN 0.845 nan 8.150 nan 0.000 0.405 10 W N 2.298 123.719 121.300 0.201 0.000 3.256 10 W HA 0.400 5.061 4.660 0.002 0.000 0.324 10 W C -2.731 173.874 176.519 0.144 0.000 1.196 10 W CA -1.879 55.581 57.345 0.193 0.000 1.206 10 W CB 2.359 32.004 29.460 0.307 0.000 1.385 10 W HN 0.527 nan 8.180 nan 0.000 0.522 11 P HA -0.193 nan 4.420 nan 0.000 0.217 11 P C 0.447 177.708 177.300 -0.065 0.000 1.148 11 P CA 1.920 64.847 63.100 -0.287 0.000 0.828 11 P CB 0.250 31.667 31.700 -0.471 0.000 0.783 12 V N -5.990 113.966 119.914 0.072 0.000 3.119 12 V HA 0.484 4.605 4.120 0.001 0.000 0.311 12 V C -0.360 175.924 176.094 0.316 0.000 1.259 12 V CA -1.306 61.104 62.300 0.183 0.000 1.067 12 V CB 1.372 33.282 31.823 0.144 0.000 1.123 12 V HN -0.278 nan 8.190 nan 0.000 0.463 13 N N -0.066 118.744 118.700 0.183 0.000 2.503 13 N HA 0.245 4.986 4.740 0.001 0.000 0.267 13 N C 0.908 176.479 175.510 0.102 0.000 1.214 13 N CA 0.229 53.359 53.050 0.134 0.000 0.959 13 N CB 1.920 40.430 38.487 0.040 0.000 1.142 13 N HN 0.631 nan 8.380 nan 0.000 0.455 14 V N 1.674 121.595 119.914 0.013 0.000 2.380 14 V HA -0.146 3.975 4.120 0.001 0.000 0.251 14 V C 1.161 177.160 176.094 -0.158 0.000 1.063 14 V CA 2.213 64.415 62.300 -0.165 0.000 1.055 14 V CB -1.000 30.722 31.823 -0.168 0.000 0.657 14 V HN 1.053 nan 8.190 nan 0.000 0.455 15 G N -2.065 106.679 108.800 -0.093 0.000 2.434 15 G HA2 -0.097 3.864 3.960 0.001 0.000 0.671 15 G HA3 -0.097 3.864 3.960 0.001 0.000 0.671 15 G C -1.976 172.870 174.900 -0.090 0.000 1.280 15 G CA -0.218 44.830 45.100 -0.088 0.000 0.975 15 G HN 0.131 nan 8.290 nan 0.000 0.510 16 P HA 0.188 nan 4.420 nan 0.000 0.220 16 P C 1.130 178.395 177.300 -0.058 0.000 1.148 16 P CA 1.051 64.110 63.100 -0.068 0.000 0.803 16 P CB 0.066 31.727 31.700 -0.065 0.000 0.782 17 L N -1.631 119.553 121.223 -0.065 0.000 3.512 17 L HA -0.167 4.174 4.340 0.001 0.000 0.446 17 L C -0.056 176.819 176.870 0.009 0.000 1.290 17 L CA 0.287 55.125 54.840 -0.004 0.000 0.871 17 L CB -2.534 39.551 42.059 0.045 0.000 1.767 17 L HN 0.179 nan 8.230 nan 0.000 0.855 18 N N 1.620 120.247 118.700 -0.122 0.000 2.422 18 N HA 0.273 5.014 4.740 0.001 0.000 0.264 18 N C -1.180 174.071 175.510 -0.432 0.000 1.063 18 N CA -1.343 51.560 53.050 -0.245 0.000 0.959 18 N CB 1.399 39.763 38.487 -0.205 0.000 1.087 18 N HN 0.103 nan 8.380 nan 0.000 0.483 19 P HA -0.085 nan 4.420 nan 0.000 0.225 19 P C -0.039 176.817 177.300 -0.740 0.000 1.148 19 P CA 1.272 63.757 63.100 -1.025 0.000 0.779 19 P CB 0.200 30.887 31.700 -1.689 0.000 0.780 20 H N -1.196 117.619 119.070 -0.425 0.000 2.487 20 H HA 0.451 5.008 4.556 0.001 0.000 0.290 20 H C 0.734 175.893 175.328 -0.282 0.000 1.081 20 H CA -0.288 55.539 56.048 -0.368 0.000 1.116 20 H CB 0.071 29.654 29.762 -0.298 0.000 1.560 20 H HN 0.187 nan 8.280 nan 0.000 0.548 21 L N -0.608 120.422 121.223 -0.323 0.000 2.341 21 L HA 0.344 4.684 4.340 0.001 0.000 0.254 21 L C -0.450 176.073 176.870 -0.578 0.000 1.040 21 L CA -1.120 53.516 54.840 -0.340 0.000 0.837 21 L CB 1.895 43.872 42.059 -0.136 0.000 1.425 21 L HN -0.078 nan 8.230 nan 0.000 0.414 22 Y N -1.000 119.250 120.300 -0.083 0.000 2.956 22 Y HA 0.292 4.842 4.550 0.001 0.000 0.381 22 Y C 1.029 176.806 175.900 -0.206 0.000 1.244 22 Y CA -0.277 57.724 58.100 -0.164 0.000 1.291 22 Y CB -0.006 38.335 38.460 -0.198 0.000 1.454 22 Y HN 0.471 nan 8.280 nan 0.000 0.797 23 T N 3.453 117.934 114.554 -0.120 0.000 2.939 23 T HA -0.018 4.333 4.350 0.001 0.000 0.312 23 T C -1.405 173.211 174.700 -0.140 0.000 1.064 23 T CA -0.978 60.994 62.100 -0.214 0.000 1.136 23 T CB 0.155 68.755 68.868 -0.446 0.000 1.035 23 T HN 0.464 nan 8.240 nan 0.000 0.538 24 P HA 0.020 nan 4.420 nan 0.000 0.247 24 P C -0.073 177.172 177.300 -0.090 0.000 1.225 24 P CA -0.064 62.986 63.100 -0.082 0.000 0.768 24 P CB 0.033 31.704 31.700 -0.047 0.000 1.020 25 N N 1.979 120.607 118.700 -0.121 0.000 2.483 25 N HA 0.033 4.773 4.740 0.001 0.000 0.264 25 N C 0.308 175.707 175.510 -0.185 0.000 1.197 25 N CA 0.389 53.345 53.050 -0.157 0.000 0.927 25 N CB 0.485 38.863 38.487 -0.181 0.000 1.065 25 N HN 0.141 nan 8.380 nan 0.000 0.461 26 Q N 2.880 122.517 119.800 -0.272 0.000 2.322 26 Q HA 0.206 4.547 4.340 0.001 0.000 0.256 26 Q C 1.257 176.962 176.000 -0.491 0.000 0.960 26 Q CA -0.187 55.388 55.803 -0.380 0.000 0.934 26 Q CB 1.343 29.683 28.738 -0.662 0.000 1.200 26 Q HN 0.576 nan 8.270 nan 0.000 0.435 27 M N 1.757 121.181 119.600 -0.292 0.000 2.089 27 M HA -0.241 4.240 4.480 0.001 0.000 0.257 27 M C 1.609 177.767 176.300 -0.236 0.000 1.071 27 M CA 2.003 57.174 55.300 -0.215 0.000 1.096 27 M CB -0.545 31.987 32.600 -0.114 0.000 1.330 27 M HN 0.688 nan 8.290 nan 0.000 0.403 28 F N 0.165 119.992 119.950 -0.204 0.000 2.161 28 F HA -0.105 4.423 4.527 0.002 0.000 0.300 28 F C 2.227 177.867 175.800 -0.265 0.000 1.089 28 F CA 1.147 59.007 58.000 -0.233 0.000 1.282 28 F CB -0.961 37.838 39.000 -0.336 0.000 1.010 28 F HN 0.024 nan 8.300 nan 0.000 0.485 29 A N 0.392 122.518 122.820 -1.157 0.000 1.930 29 A HA -0.086 4.235 4.320 0.001 0.000 0.215 29 A C 2.239 179.629 177.584 -0.323 0.000 1.176 29 A CA 1.107 52.652 52.037 -0.820 0.000 0.632 29 A CB -0.824 17.585 19.000 -0.986 0.000 0.819 29 A HN 0.581 nan 8.150 nan 0.000 0.445 30 Q N -0.062 119.588 119.800 -0.249 0.000 2.181 30 Q HA -0.119 4.221 4.340 0.001 0.000 0.205 30 Q C 2.110 178.154 176.000 0.074 0.000 0.980 30 Q CA 1.683 57.491 55.803 0.008 0.000 0.862 30 Q CB -0.177 28.530 28.738 -0.051 0.000 0.905 30 Q HN 0.600 nan 8.270 nan 0.000 0.429 31 S N 0.040 115.732 115.700 -0.013 0.000 2.489 31 S HA 0.016 4.487 4.470 0.001 0.000 0.228 31 S C 1.675 176.325 174.600 0.084 0.000 0.995 31 S CA 0.621 58.852 58.200 0.053 0.000 0.934 31 S CB 0.050 63.277 63.200 0.045 0.000 0.771 31 S HN 0.321 nan 8.310 nan 0.000 0.522 32 M N 0.010 119.627 119.600 0.028 0.000 2.287 32 M HA 0.016 4.497 4.480 0.001 0.000 0.266 32 M C 1.858 178.243 176.300 0.141 0.000 1.079 32 M CA 1.010 56.394 55.300 0.139 0.000 1.146 32 M CB -0.141 32.367 32.600 -0.154 0.000 1.374 32 M HN 0.144 nan 8.290 nan 0.000 0.435 33 V N -1.289 118.604 119.914 -0.036 0.000 2.426 33 V HA -0.085 4.036 4.120 0.001 0.000 0.242 33 V C 0.369 176.238 176.094 -0.375 0.000 1.036 33 V CA 0.971 63.100 62.300 -0.285 0.000 1.044 33 V CB -0.284 31.119 31.823 -0.700 0.000 0.688 33 V HN 0.216 nan 8.190 nan 0.000 0.462 34 Y N 0.034 120.412 120.300 0.130 0.000 2.419 34 Y HA 0.622 5.173 4.550 0.001 0.000 0.328 34 Y C 0.348 176.336 175.900 0.146 0.000 1.162 34 Y CA -0.905 57.274 58.100 0.132 0.000 1.174 34 Y CB 0.947 39.435 38.460 0.047 0.000 1.228 34 Y HN 0.117 nan 8.280 nan 0.000 0.473 35 E N 2.770 123.184 120.200 0.355 0.000 2.370 35 E HA 0.530 4.881 4.350 0.001 0.000 0.259 35 E C -2.760 173.994 176.600 0.258 0.000 0.947 35 E CA -2.212 54.399 56.400 0.351 0.000 0.809 35 E CB 2.332 32.380 29.700 0.580 0.000 1.300 35 E HN 0.291 nan 8.360 nan 0.000 0.419 36 P HA 0.281 nan 4.420 nan 0.000 0.292 36 P C 0.192 177.696 177.300 0.339 0.000 1.311 36 P CA -0.570 62.642 63.100 0.186 0.000 0.995 36 P CB 1.720 33.442 31.700 0.038 0.000 1.387 37 L N -0.250 121.149 121.223 0.292 0.000 2.017 37 L HA 0.009 4.350 4.340 0.001 0.000 0.208 37 L C 1.443 178.374 176.870 0.102 0.000 1.073 37 L CA 1.715 56.652 54.840 0.161 0.000 0.745 37 L CB -0.325 41.645 42.059 -0.148 0.000 0.894 37 L HN 0.172 nan 8.230 nan 0.000 0.432 38 V N -0.458 119.450 119.914 -0.010 0.000 2.914 38 V HA 0.369 4.490 4.120 0.001 0.000 0.314 38 V C -0.764 175.348 176.094 0.031 0.000 1.084 38 V CA -0.796 61.527 62.300 0.038 0.000 0.963 38 V CB 2.209 33.910 31.823 -0.204 0.000 1.025 38 V HN 0.126 nan 8.190 nan 0.000 0.432 39 K N 4.046 124.473 120.400 0.044 0.000 2.292 39 K HA 0.407 4.728 4.320 0.001 0.000 0.257 39 K C -1.328 175.262 176.600 -0.017 0.000 0.940 39 K CA -0.647 55.561 56.287 -0.132 0.000 0.811 39 K CB 1.357 33.489 32.500 -0.614 0.000 1.120 39 K HN 0.694 nan 8.250 nan 0.000 0.428 40 Y N 3.042 123.276 120.300 -0.110 0.000 2.597 40 Y HA -0.021 4.530 4.550 0.001 0.000 0.336 40 Y C -0.294 175.589 175.900 -0.029 0.000 1.216 40 Y CA 0.766 58.838 58.100 -0.047 0.000 1.463 40 Y CB 0.700 39.137 38.460 -0.039 0.000 1.303 40 Y HN 0.527 nan 8.280 nan 0.000 0.576 41 Q N 3.603 122.905 119.800 -0.830 0.000 2.351 41 Q HA 0.508 4.849 4.340 0.001 0.000 0.273 41 Q C 0.628 176.181 176.000 -0.744 0.000 1.077 41 Q CA -0.058 55.405 55.803 -0.565 0.000 0.843 41 Q CB 1.947 30.529 28.738 -0.261 0.000 1.367 41 Q HN 0.862 nan 8.270 nan 0.000 0.449 42 A N 1.441 124.074 122.820 -0.311 0.000 1.972 42 A HA -0.189 4.131 4.320 0.001 0.000 0.219 42 A C 1.074 178.582 177.584 -0.126 0.000 1.169 42 A CA 2.117 54.061 52.037 -0.156 0.000 0.635 42 A CB -0.360 18.616 19.000 -0.040 0.000 0.810 42 A HN 0.763 nan 8.150 nan 0.000 0.446 43 D N -2.125 118.198 120.400 -0.129 0.000 2.352 43 D HA 0.265 4.905 4.640 0.001 0.000 0.232 43 D C 1.162 177.423 176.300 -0.065 0.000 1.055 43 D CA 1.027 54.987 54.000 -0.067 0.000 0.891 43 D CB -0.530 40.247 40.800 -0.039 0.000 0.897 43 D HN 0.771 nan 8.370 nan 0.000 0.529 44 G N -0.224 108.485 108.800 -0.151 0.000 2.213 44 G HA2 -0.298 3.663 3.960 0.001 0.000 0.236 44 G HA3 -0.298 3.663 3.960 0.001 0.000 0.236 44 G C 0.604 175.493 174.900 -0.019 0.000 0.991 44 G CA 0.439 45.526 45.100 -0.021 0.000 0.629 44 G HN 0.791 nan 8.290 nan 0.000 0.517 45 S N -1.076 114.567 115.700 -0.096 0.000 2.596 45 S HA 0.783 5.254 4.470 0.001 0.000 0.262 45 S C 0.116 174.706 174.600 -0.016 0.000 1.218 45 S CA 0.059 58.260 58.200 0.001 0.000 0.998 45 S CB 2.108 65.328 63.200 0.032 0.000 1.060 45 S HN 1.342 nan 8.310 nan 0.000 0.552 46 V N 0.782 120.757 119.914 0.101 0.000 2.841 46 V HA 0.649 4.769 4.120 0.001 0.000 0.310 46 V C -0.871 175.363 176.094 0.234 0.000 1.090 46 V CA -0.892 61.494 62.300 0.143 0.000 0.930 46 V CB 1.671 33.594 31.823 0.167 0.000 1.014 46 V HN 0.940 nan 8.190 nan 0.000 0.425 47 I N 3.108 123.822 120.570 0.239 0.000 2.785 47 I HA 0.760 4.931 4.170 0.001 0.000 0.302 47 I C -2.833 173.574 176.117 0.483 0.000 1.069 47 I CA -2.885 58.624 61.300 0.348 0.000 1.045 47 I CB 2.445 40.612 38.000 0.278 0.000 1.236 47 I HN 0.351 nan 8.210 nan 0.000 0.429 48 P HA 0.042 nan 4.420 nan 0.000 0.268 48 P C -0.961 176.762 177.300 0.705 0.000 1.208 48 P CA 0.186 63.677 63.100 0.652 0.000 0.777 48 P CB 0.618 32.623 31.700 0.508 0.000 0.875 49 W N 1.709 123.169 121.300 0.266 0.000 4.481 49 W HA 0.153 4.814 4.660 0.002 0.000 0.599 49 W C 1.490 178.009 176.519 0.001 0.000 3.470 49 W CA -0.101 57.399 57.345 0.258 0.000 1.136 49 W CB -0.395 29.230 29.460 0.274 0.000 2.118 49 W HN 0.016 nan 8.180 nan 0.000 0.349 50 L N 1.713 123.021 121.223 0.143 0.000 2.046 50 L HA -0.038 4.302 4.340 0.001 0.000 0.208 50 L C 1.252 178.143 176.870 0.035 0.000 1.077 50 L CA 1.190 55.921 54.840 -0.182 0.000 0.747 50 L CB -1.095 40.846 42.059 -0.196 0.000 0.896 50 L HN 0.046 nan 8.230 nan 0.000 0.432 51 A N -0.006 122.922 122.820 0.180 0.000 2.347 51 A HA 0.150 4.471 4.320 0.001 0.000 0.287 51 A C 0.993 178.804 177.584 0.378 0.000 1.199 51 A CA -0.274 51.932 52.037 0.281 0.000 0.851 51 A CB 0.834 19.982 19.000 0.245 0.000 1.118 51 A HN 0.072 nan 8.150 nan 0.000 0.525 52 K N 1.684 122.257 120.400 0.289 0.000 2.167 52 K HA 0.084 4.405 4.320 0.001 0.000 0.203 52 K C 0.669 177.426 176.600 0.262 0.000 1.052 52 K CA 1.580 58.003 56.287 0.226 0.000 0.956 52 K CB 0.046 32.608 32.500 0.103 0.000 0.735 52 K HN 0.704 nan 8.250 nan 0.000 0.451 53 S N -2.034 113.879 115.700 0.355 0.000 2.643 53 S HA 0.700 5.171 4.470 0.001 0.000 0.270 53 S C -2.144 172.761 174.600 0.509 0.000 1.166 53 S CA -0.500 57.811 58.200 0.185 0.000 0.815 53 S CB 0.293 63.501 63.200 0.014 0.000 1.139 53 S HN 0.352 nan 8.310 nan 0.000 0.472 54 W N 0.227 121.636 121.300 0.182 0.000 3.161 54 W HA 0.676 5.337 4.660 0.001 0.000 0.314 54 W C -1.002 175.509 176.519 -0.012 0.000 1.245 54 W CA -0.296 57.104 57.345 0.092 0.000 1.191 54 W CB 0.141 29.684 29.460 0.137 0.000 1.392 54 W HN 0.874 nan 8.180 nan 0.000 0.568 55 T N -1.160 113.456 114.554 0.104 0.000 2.812 55 T HA 0.847 5.198 4.350 0.001 0.000 0.294 55 T C -1.281 173.230 174.700 -0.314 0.000 1.159 55 T CA -0.639 61.365 62.100 -0.160 0.000 1.008 55 T CB 2.282 71.029 68.868 -0.201 0.000 1.289 55 T HN 1.431 nan 8.240 nan 0.000 0.514 56 H N -1.874 116.904 119.070 -0.486 0.000 3.042 56 H HA 0.716 5.273 4.556 0.001 0.000 0.346 56 H C -0.055 174.991 175.328 -0.470 0.000 1.294 56 H CA -0.544 55.039 56.048 -0.775 0.000 1.141 56 H CB 0.405 29.081 29.762 -1.811 0.000 1.872 56 H HN 0.852 nan 8.280 nan 0.000 0.541 57 S N 0.336 115.914 115.700 -0.203 0.000 2.658 57 S HA -0.022 4.449 4.470 0.001 0.000 0.249 57 S C 0.841 175.435 174.600 -0.010 0.000 1.363 57 S CA -0.063 58.072 58.200 -0.108 0.000 0.964 57 S CB 0.480 63.632 63.200 -0.080 0.000 0.973 57 S HN 0.780 nan 8.310 nan 0.000 0.588 58 E N 1.373 121.556 120.200 -0.028 0.000 2.072 58 E HA -0.121 4.230 4.350 0.001 0.000 0.191 58 E C 1.504 178.112 176.600 0.014 0.000 0.985 58 E CA 1.341 57.739 56.400 -0.004 0.000 0.801 58 E CB -0.521 29.165 29.700 -0.023 0.000 0.750 58 E HN 0.880 nan 8.360 nan 0.000 0.452 59 D N -0.314 120.083 120.400 -0.005 0.000 2.352 59 D HA -0.013 4.628 4.640 0.001 0.000 0.232 59 D C 1.067 177.364 176.300 -0.004 0.000 1.055 59 D CA 0.743 54.737 54.000 -0.010 0.000 0.891 59 D CB -0.289 40.504 40.800 -0.011 0.000 0.897 59 D HN 0.168 nan 8.370 nan 0.000 0.529 60 G N 1.434 110.225 108.800 -0.016 0.000 2.258 60 G HA2 -0.368 3.593 3.960 0.001 0.000 0.274 60 G HA3 -0.368 3.593 3.960 0.001 0.000 0.274 60 G C 0.830 175.809 174.900 0.131 0.000 1.021 60 G CA 0.777 45.845 45.100 -0.053 0.000 0.798 60 G HN 0.478 nan 8.290 nan 0.000 0.507 61 K N -1.152 119.282 120.400 0.057 0.000 2.360 61 K HA 0.153 4.473 4.320 0.001 0.000 0.196 61 K C 0.527 177.184 176.600 0.094 0.000 1.049 61 K CA 0.486 56.824 56.287 0.084 0.000 1.049 61 K CB 0.798 33.314 32.500 0.026 0.000 0.881 61 K HN 0.240 nan 8.250 nan 0.000 0.542 62 T N 0.901 115.461 114.554 0.011 0.000 2.791 62 T HA 0.324 4.675 4.350 0.001 0.000 0.288 62 T C -1.566 173.047 174.700 -0.145 0.000 0.999 62 T CA -0.536 61.563 62.100 -0.001 0.000 0.952 62 T CB 0.610 69.452 68.868 -0.042 0.000 0.938 62 T HN 0.057 nan 8.240 nan 0.000 0.444 63 W N 2.571 123.809 121.300 -0.103 0.000 2.587 63 W HA 0.503 5.164 4.660 0.002 0.000 0.324 63 W C 0.080 176.463 176.519 -0.226 0.000 1.040 63 W CA -0.789 56.464 57.345 -0.153 0.000 1.222 63 W CB 1.314 30.665 29.460 -0.182 0.000 1.381 63 W HN 0.512 nan 8.180 nan 0.000 0.483 64 T N 0.564 115.048 114.554 -0.116 0.000 2.833 64 T HA 0.610 4.961 4.350 0.001 0.000 0.297 64 T C -0.949 173.725 174.700 -0.044 0.000 1.015 64 T CA -0.691 61.381 62.100 -0.046 0.000 0.963 64 T CB 0.283 69.144 68.868 -0.011 0.000 0.955 64 T HN 0.056 nan 8.240 nan 0.000 0.449 65 F N 1.651 121.777 119.950 0.293 0.000 2.408 65 F HA 0.453 4.981 4.527 0.001 0.000 0.344 65 F C 1.063 176.993 175.800 0.216 0.000 1.112 65 F CA -0.833 57.363 58.000 0.327 0.000 1.096 65 F CB 1.606 40.776 39.000 0.283 0.000 1.129 65 F HN 0.453 nan 8.300 nan 0.000 0.486 66 T N 5.525 120.318 114.554 0.398 0.000 2.891 66 T HA 0.405 4.756 4.350 0.001 0.000 0.315 66 T C 0.343 175.167 174.700 0.206 0.000 1.054 66 T CA -0.535 61.699 62.100 0.224 0.000 0.958 66 T CB -0.274 68.687 68.868 0.154 0.000 1.008 66 T HN 0.276 nan 8.240 nan 0.000 0.521 67 L N 3.178 124.484 121.223 0.138 0.000 2.479 67 L HA 0.339 4.680 4.340 0.001 0.000 0.270 67 L C 1.292 178.171 176.870 0.014 0.000 1.236 67 L CA -0.675 54.211 54.840 0.077 0.000 0.823 67 L CB 0.222 42.251 42.059 -0.051 0.000 1.098 67 L HN 0.556 nan 8.230 nan 0.000 0.500 68 R N 0.459 120.936 120.500 -0.037 0.000 2.531 68 R HA 0.184 4.525 4.340 0.001 0.000 0.273 68 R C -0.398 175.841 176.300 -0.101 0.000 1.070 68 R CA -0.696 55.346 56.100 -0.096 0.000 1.112 68 R CB 0.510 30.676 30.300 -0.222 0.000 1.049 68 R HN 0.640 nan 8.270 nan 0.000 0.508 69 D N 0.445 120.794 120.400 -0.085 0.000 2.424 69 D HA -0.040 4.601 4.640 0.001 0.000 0.220 69 D C -0.350 175.910 176.300 -0.067 0.000 1.150 69 D CA -0.126 53.830 54.000 -0.075 0.000 0.831 69 D CB 0.159 40.927 40.800 -0.053 0.000 0.981 69 D HN 0.714 nan 8.370 nan 0.000 0.500 70 D N 0.260 120.608 120.400 -0.088 0.000 2.696 70 D HA 0.095 4.736 4.640 0.001 0.000 0.269 70 D C -0.241 176.011 176.300 -0.079 0.000 1.319 70 D CA -0.491 53.472 54.000 -0.061 0.000 0.826 70 D CB 0.353 41.132 40.800 -0.035 0.000 1.086 70 D HN -0.096 nan 8.370 nan 0.000 0.481 71 V N 0.410 120.250 119.914 -0.123 0.000 2.448 71 V HA 0.419 4.540 4.120 0.001 0.000 0.295 71 V C -0.049 176.007 176.094 -0.064 0.000 1.025 71 V CA -0.661 61.534 62.300 -0.175 0.000 0.859 71 V CB 1.951 33.513 31.823 -0.436 0.000 0.988 71 V HN -0.003 nan 8.190 nan 0.000 0.431 72 K N 3.639 124.020 120.400 -0.031 0.000 2.371 72 K HA 0.623 4.944 4.320 0.001 0.000 0.251 72 K C -0.860 175.770 176.600 0.050 0.000 0.934 72 K CA -0.660 55.656 56.287 0.048 0.000 0.798 72 K CB 2.275 34.827 32.500 0.087 0.000 1.204 72 K HN 0.382 nan 8.250 nan 0.000 0.427 73 F N 0.874 120.905 119.950 0.135 0.000 2.587 73 F HA -0.153 4.375 4.527 0.001 0.000 0.327 73 F C 2.166 178.033 175.800 0.112 0.000 1.232 73 F CA 0.681 58.764 58.000 0.138 0.000 1.353 73 F CB 0.455 39.545 39.000 0.150 0.000 1.156 73 F HN 0.679 nan 8.300 nan 0.000 0.599 74 S N 0.367 116.251 115.700 0.307 0.000 2.465 74 S HA -0.218 4.253 4.470 0.001 0.000 0.241 74 S C 1.088 175.781 174.600 0.156 0.000 1.000 74 S CA 1.146 59.459 58.200 0.189 0.000 0.964 74 S CB -0.761 62.529 63.200 0.150 0.000 0.763 74 S HN 0.744 nan 8.310 nan 0.000 0.512 75 N N 0.799 119.608 118.700 0.183 0.000 2.327 75 N HA 0.243 4.984 4.740 0.001 0.000 0.231 75 N C 1.211 176.792 175.510 0.118 0.000 1.130 75 N CA 0.507 53.630 53.050 0.122 0.000 0.845 75 N CB -0.301 38.241 38.487 0.091 0.000 1.073 75 N HN 0.522 nan 8.380 nan 0.000 0.496 76 G N 0.336 109.216 108.800 0.133 0.000 2.507 76 G HA2 -0.370 3.590 3.960 0.001 0.000 0.240 76 G HA3 -0.370 3.590 3.960 0.001 0.000 0.240 76 G C 0.035 175.017 174.900 0.136 0.000 1.119 76 G CA 0.441 45.608 45.100 0.111 0.000 0.664 76 G HN 0.537 nan 8.290 nan 0.000 0.516 77 E N 2.701 123.000 120.200 0.166 0.000 2.492 77 E HA 0.269 4.620 4.350 0.001 0.000 0.266 77 E C -1.825 174.945 176.600 0.282 0.000 1.047 77 E CA -0.232 56.281 56.400 0.189 0.000 0.968 77 E CB 0.704 30.498 29.700 0.156 0.000 0.960 77 E HN 0.370 nan 8.360 nan 0.000 0.452 78 P HA 0.090 nan 4.420 nan 0.000 0.286 78 P C -1.204 176.271 177.300 0.291 0.000 1.261 78 P CA -0.313 62.903 63.100 0.193 0.000 0.821 78 P CB 0.580 32.329 31.700 0.081 0.000 1.013 79 F N 3.697 123.639 119.950 -0.014 0.000 2.410 79 F HA 0.485 5.013 4.527 0.002 0.000 0.349 79 F C -0.538 175.203 175.800 -0.099 0.000 1.117 79 F CA 0.029 57.962 58.000 -0.112 0.000 1.104 79 F CB 0.594 39.294 39.000 -0.501 0.000 1.122 79 F HN 0.337 nan 8.300 nan 0.000 0.483 80 D N 3.473 123.332 120.400 -0.902 0.000 2.665 80 D HA 0.369 5.010 4.640 0.001 0.000 0.287 80 D C 0.198 176.116 176.300 -0.637 0.000 1.266 80 D CA -0.223 53.343 54.000 -0.724 0.000 0.830 80 D CB 0.785 41.405 40.800 -0.300 0.000 1.356 80 D HN 0.563 nan 8.370 nan 0.000 0.437 81 A N -0.197 122.398 122.820 -0.376 0.000 1.958 81 A HA -0.242 4.078 4.320 0.001 0.000 0.221 81 A C 1.856 179.383 177.584 -0.094 0.000 1.178 81 A CA 2.503 54.422 52.037 -0.196 0.000 0.642 81 A CB -0.910 18.037 19.000 -0.087 0.000 0.816 81 A HN 0.629 nan 8.150 nan 0.000 0.453 82 E N -0.070 120.081 120.200 -0.083 0.000 2.152 82 E HA 0.044 4.395 4.350 0.001 0.000 0.192 82 E C 2.000 178.612 176.600 0.021 0.000 0.983 82 E CA 1.335 57.727 56.400 -0.013 0.000 0.818 82 E CB -0.438 29.252 29.700 -0.018 0.000 0.758 82 E HN 0.479 nan 8.360 nan 0.000 0.467 83 A N 1.015 123.822 122.820 -0.022 0.000 1.841 83 A HA -0.016 4.305 4.320 0.001 0.000 0.214 83 A C 2.491 180.188 177.584 0.188 0.000 1.195 83 A CA 2.116 54.208 52.037 0.092 0.000 0.611 83 A CB -1.275 17.827 19.000 0.170 0.000 0.835 83 A HN 0.370 nan 8.150 nan 0.000 0.443 84 A N -0.015 122.808 122.820 0.005 0.000 1.884 84 A HA -0.019 4.302 4.320 0.001 0.000 0.219 84 A C 2.547 180.395 177.584 0.440 0.000 1.197 84 A CA 2.884 54.969 52.037 0.079 0.000 0.637 84 A CB -1.246 17.670 19.000 -0.140 0.000 0.827 84 A HN 1.224 nan 8.150 nan 0.000 0.450 85 A N -0.945 122.065 122.820 0.317 0.000 1.902 85 A HA -0.154 4.167 4.320 0.001 0.000 0.217 85 A C 1.918 179.717 177.584 0.357 0.000 1.181 85 A CA 1.727 53.980 52.037 0.359 0.000 0.623 85 A CB -0.494 18.622 19.000 0.194 0.000 0.818 85 A HN 0.498 nan 8.150 nan 0.000 0.443 86 E N 0.397 120.772 120.200 0.291 0.000 2.097 86 E HA -0.236 4.115 4.350 0.001 0.000 0.196 86 E C 1.780 178.669 176.600 0.480 0.000 1.000 86 E CA 1.796 58.392 56.400 0.326 0.000 0.804 86 E CB -0.543 29.276 29.700 0.199 0.000 0.740 86 E HN 0.747 nan 8.360 nan 0.000 0.454 87 N N -0.255 118.743 118.700 0.497 0.000 2.106 87 N HA -0.097 4.644 4.740 0.001 0.000 0.188 87 N C 1.682 177.215 175.510 0.038 0.000 1.029 87 N CA 0.896 54.152 53.050 0.344 0.000 0.848 87 N CB -0.339 38.429 38.487 0.470 0.000 1.007 87 N HN 0.041 nan 8.380 nan 0.000 0.423 88 F N 1.167 121.256 119.950 0.230 0.000 2.154 88 F HA -0.114 4.413 4.527 0.001 0.000 0.301 88 F C 2.465 178.315 175.800 0.085 0.000 1.087 88 F CA 1.070 59.163 58.000 0.155 0.000 1.274 88 F CB -0.229 38.868 39.000 0.162 0.000 1.009 88 F HN 0.027 nan 8.300 nan 0.000 0.485 89 R N 0.410 121.080 120.500 0.284 0.000 2.066 89 R HA -0.105 4.235 4.340 0.001 0.000 0.232 89 R C 2.396 178.756 176.300 0.100 0.000 1.131 89 R CA 1.243 57.456 56.100 0.188 0.000 0.955 89 R CB -0.527 29.891 30.300 0.197 0.000 0.851 89 R HN 0.212 nan 8.270 nan 0.000 0.432 90 A N 0.501 123.348 122.820 0.045 0.000 1.940 90 A HA -0.126 4.195 4.320 0.001 0.000 0.219 90 A C 2.222 179.688 177.584 -0.197 0.000 1.176 90 A CA 1.782 53.742 52.037 -0.128 0.000 0.631 90 A CB -0.567 18.191 19.000 -0.402 0.000 0.814 90 A HN 0.240 nan 8.150 nan 0.000 0.446 91 V N 0.024 119.760 119.914 -0.296 0.000 2.221 91 V HA -0.233 3.888 4.120 0.001 0.000 0.242 91 V C 2.466 178.575 176.094 0.026 0.000 1.041 91 V CA 1.908 64.053 62.300 -0.258 0.000 0.995 91 V CB -0.933 30.679 31.823 -0.352 0.000 0.635 91 V HN 0.577 nan 8.190 nan 0.000 0.448 92 L N 0.226 121.512 121.223 0.106 0.000 2.351 92 L HA -0.209 4.132 4.340 0.001 0.000 0.220 92 L C 2.139 179.075 176.870 0.109 0.000 1.127 92 L CA 1.141 56.070 54.840 0.148 0.000 0.786 92 L CB -0.759 41.396 42.059 0.160 0.000 0.914 92 L HN 0.406 nan 8.230 nan 0.000 0.443 93 D N -0.267 120.181 120.400 0.081 0.000 2.264 93 D HA -0.162 4.479 4.640 0.001 0.000 0.208 93 D C 1.499 177.838 176.300 0.065 0.000 0.966 93 D CA 1.061 55.100 54.000 0.066 0.000 0.864 93 D CB -0.064 40.769 40.800 0.054 0.000 0.933 93 D HN 0.439 nan 8.370 nan 0.000 0.499 94 N N 0.138 118.892 118.700 0.090 0.000 2.234 94 N HA 0.032 4.773 4.740 0.001 0.000 0.227 94 N C 1.483 177.059 175.510 0.110 0.000 1.151 94 N CA -0.286 52.812 53.050 0.080 0.000 0.865 94 N CB 0.436 38.973 38.487 0.084 0.000 1.066 94 N HN -0.079 nan 8.380 nan 0.000 0.515 95 R N 0.761 121.356 120.500 0.158 0.000 2.270 95 R HA -0.295 4.046 4.340 0.001 0.000 0.260 95 R C 1.499 177.862 176.300 0.106 0.000 1.127 95 R CA 2.046 58.254 56.100 0.179 0.000 0.969 95 R CB -0.039 30.324 30.300 0.106 0.000 0.918 95 R HN 0.361 nan 8.270 nan 0.000 0.455 96 Q N -0.321 119.499 119.800 0.034 0.000 2.152 96 Q HA -0.210 4.131 4.340 0.001 0.000 0.206 96 Q C 2.032 178.002 176.000 -0.051 0.000 0.985 96 Q CA 1.557 57.356 55.803 -0.007 0.000 0.863 96 Q CB -0.369 28.360 28.738 -0.015 0.000 0.904 96 Q HN 0.225 nan 8.270 nan 0.000 0.422 97 R N 0.312 120.724 120.500 -0.148 0.000 2.285 97 R HA -0.091 4.250 4.340 0.001 0.000 0.213 97 R C 0.950 177.103 176.300 -0.244 0.000 1.068 97 R CA 1.080 57.036 56.100 -0.239 0.000 1.004 97 R CB -0.086 30.022 30.300 -0.320 0.000 0.873 97 R HN 0.370 nan 8.270 nan 0.000 0.467 98 H N -1.607 117.563 119.070 0.166 0.000 2.542 98 H HA 0.344 4.901 4.556 0.001 0.000 0.283 98 H C 1.134 176.351 175.328 -0.186 0.000 1.059 98 H CA 0.479 56.573 56.048 0.077 0.000 1.162 98 H CB 0.540 30.296 29.762 -0.010 0.000 1.539 98 H HN 0.232 nan 8.280 nan 0.000 0.543 99 A N 1.959 124.796 122.820 0.028 0.000 2.186 99 A HA -0.154 4.167 4.320 0.001 0.000 0.219 99 A C 2.090 179.666 177.584 -0.014 0.000 1.159 99 A CA 0.979 53.008 52.037 -0.014 0.000 0.680 99 A CB -1.023 17.982 19.000 0.008 0.000 0.787 99 A HN 0.680 nan 8.150 nan 0.000 0.467 100 W N -1.311 120.017 121.300 0.046 0.000 2.467 100 W HA 0.217 4.878 4.660 0.002 0.000 0.275 100 W C 0.422 177.019 176.519 0.130 0.000 1.239 100 W CA -0.002 57.385 57.345 0.070 0.000 1.266 100 W CB -0.806 28.693 29.460 0.064 0.000 1.112 100 W HN 0.198 nan 8.180 nan 0.000 0.576 101 L N 2.554 123.144 121.223 -1.054 0.000 2.275 101 L HA 0.120 4.461 4.340 0.001 0.000 0.288 101 L C 1.623 178.266 176.870 -0.379 0.000 1.046 101 L CA -0.110 54.161 54.840 -0.947 0.000 0.805 101 L CB 1.794 42.911 42.059 -1.568 0.000 1.193 101 L HN -0.209 nan 8.230 nan 0.000 0.426 102 E N 3.262 123.364 120.200 -0.163 0.000 2.106 102 E HA -0.186 4.165 4.350 0.001 0.000 0.192 102 E C 1.725 178.075 176.600 -0.418 0.000 0.984 102 E CA 1.275 57.549 56.400 -0.209 0.000 0.806 102 E CB -0.040 29.609 29.700 -0.085 0.000 0.750 102 E HN 0.746 nan 8.360 nan 0.000 0.458 103 L N -0.091 120.910 121.223 -0.370 0.000 2.129 103 L HA -0.247 4.093 4.340 0.001 0.000 0.212 103 L C 2.175 178.956 176.870 -0.149 0.000 1.087 103 L CA 1.522 56.164 54.840 -0.330 0.000 0.757 103 L CB -0.541 41.537 42.059 0.032 0.000 0.896 103 L HN 0.324 nan 8.230 nan 0.000 0.434 104 A N 0.043 122.859 122.820 -0.006 0.000 1.972 104 A HA -0.222 4.099 4.320 0.001 0.000 0.219 104 A C 1.513 179.099 177.584 0.003 0.000 1.169 104 A CA 2.039 54.145 52.037 0.115 0.000 0.635 104 A CB -0.574 18.477 19.000 0.085 0.000 0.810 104 A HN 0.622 nan 8.150 nan 0.000 0.446 105 N N -0.693 117.951 118.700 -0.094 0.000 2.268 105 N HA 0.091 4.832 4.740 0.001 0.000 0.204 105 N C 1.234 176.657 175.510 -0.145 0.000 1.124 105 N CA 0.105 53.102 53.050 -0.090 0.000 0.838 105 N CB 0.536 38.974 38.487 -0.082 0.000 0.994 105 N HN 0.398 nan 8.380 nan 0.000 0.489 106 Q N 0.014 119.684 119.800 -0.216 0.000 2.442 106 Q HA 0.270 4.611 4.340 0.001 0.000 0.228 106 Q C 0.294 176.175 176.000 -0.199 0.000 0.902 106 Q CA 0.185 55.829 55.803 -0.265 0.000 0.933 106 Q CB 0.898 29.335 28.738 -0.502 0.000 1.071 106 Q HN 0.383 nan 8.270 nan 0.000 0.562 107 I N 2.769 123.230 120.570 -0.182 0.000 2.587 107 I HA -0.066 4.105 4.170 0.001 0.000 0.284 107 I C 1.419 177.475 176.117 -0.101 0.000 1.134 107 I CA -0.085 61.114 61.300 -0.169 0.000 1.410 107 I CB 0.754 38.641 38.000 -0.188 0.000 1.392 107 I HN -0.102 nan 8.210 nan 0.000 0.545 108 V N 1.040 120.897 119.914 -0.094 0.000 3.431 108 V HA 0.278 4.398 4.120 0.001 0.000 0.253 108 V C 0.473 176.543 176.094 -0.040 0.000 1.184 108 V CA 0.394 62.661 62.300 -0.054 0.000 1.104 108 V CB 0.033 31.828 31.823 -0.047 0.000 0.799 108 V HN 0.855 nan 8.190 nan 0.000 0.462 109 D N -0.271 120.094 120.400 -0.059 0.000 2.878 109 D HA 0.346 4.986 4.640 0.001 0.000 0.211 109 D C -1.975 174.283 176.300 -0.070 0.000 1.271 109 D CA -0.086 53.890 54.000 -0.041 0.000 0.845 109 D CB 3.114 43.901 40.800 -0.022 0.000 1.679 109 D HN 0.000 nan 8.370 nan 0.000 0.536 110 V N 4.324 124.206 119.914 -0.054 0.000 2.380 110 V HA 0.429 4.550 4.120 0.001 0.000 0.286 110 V C -0.160 175.944 176.094 0.017 0.000 1.015 110 V CA -0.547 61.704 62.300 -0.080 0.000 0.834 110 V CB 1.555 33.270 31.823 -0.180 0.000 1.009 110 V HN 0.326 nan 8.190 nan 0.000 0.428 111 K N 2.924 123.339 120.400 0.023 0.000 2.378 111 K HA 0.788 5.109 4.320 0.001 0.000 0.252 111 K C -0.351 176.278 176.600 0.048 0.000 0.931 111 K CA -0.647 55.664 56.287 0.040 0.000 0.794 111 K CB 2.734 35.249 32.500 0.026 0.000 1.181 111 K HN 0.703 nan 8.250 nan 0.000 0.425 112 A N 4.325 127.173 122.820 0.048 0.000 2.350 112 A HA 0.223 4.544 4.320 0.001 0.000 0.293 112 A C 0.956 178.553 177.584 0.022 0.000 1.231 112 A CA -0.324 51.735 52.037 0.035 0.000 0.883 112 A CB -0.068 18.944 19.000 0.020 0.000 1.133 112 A HN 0.830 nan 8.150 nan 0.000 0.533 113 L N 2.364 123.601 121.223 0.023 0.000 1.971 113 L HA -0.077 4.263 4.340 0.001 0.000 0.208 113 L C 2.367 179.240 176.870 0.004 0.000 1.083 113 L CA 1.795 56.644 54.840 0.014 0.000 0.753 113 L CB -0.518 41.552 42.059 0.018 0.000 0.893 113 L HN 0.884 nan 8.230 nan 0.000 0.436 114 S N -1.022 114.679 115.700 0.001 0.000 3.574 114 S HA 0.052 4.523 4.470 0.001 0.000 0.212 114 S C 1.102 175.688 174.600 -0.023 0.000 1.056 114 S CA -0.298 57.897 58.200 -0.009 0.000 1.501 114 S CB 0.639 63.834 63.200 -0.009 0.000 0.931 114 S HN 0.161 nan 8.310 nan 0.000 0.630 115 K N 0.137 120.516 120.400 -0.034 0.000 2.370 115 K HA 0.154 4.475 4.320 0.001 0.000 0.194 115 K C 1.322 177.868 176.600 -0.089 0.000 1.070 115 K CA 0.927 57.179 56.287 -0.059 0.000 0.998 115 K CB 0.160 32.628 32.500 -0.052 0.000 0.911 115 K HN 0.749 nan 8.250 nan 0.000 0.533 116 T N -1.804 112.713 114.554 -0.061 0.000 3.040 116 T HA 0.232 4.583 4.350 0.001 0.000 0.266 116 T C -0.179 174.516 174.700 -0.008 0.000 1.005 116 T CA -0.516 61.547 62.100 -0.061 0.000 0.906 116 T CB 0.331 69.176 68.868 -0.039 0.000 1.082 116 T HN -0.097 nan 8.240 nan 0.000 0.531 117 E N 1.627 121.832 120.200 0.009 0.000 2.134 117 E HA 0.520 4.871 4.350 0.001 0.000 0.278 117 E C -1.320 175.323 176.600 0.071 0.000 0.959 117 E CA -0.670 55.763 56.400 0.055 0.000 0.783 117 E CB 2.242 31.966 29.700 0.040 0.000 1.095 117 E HN 0.271 nan 8.360 nan 0.000 0.399 118 L N 2.718 124.029 121.223 0.146 0.000 2.325 118 L HA 0.276 4.617 4.340 0.001 0.000 0.281 118 L C -0.593 176.409 176.870 0.220 0.000 1.004 118 L CA -0.219 54.727 54.840 0.178 0.000 0.823 118 L CB 1.522 43.722 42.059 0.235 0.000 1.236 118 L HN 0.384 nan 8.230 nan 0.000 0.415 119 Q N 5.382 125.263 119.800 0.136 0.000 2.348 119 Q HA 0.559 4.900 4.340 0.001 0.000 0.265 119 Q C -1.451 174.593 176.000 0.074 0.000 0.998 119 Q CA -0.479 55.389 55.803 0.108 0.000 0.831 119 Q CB 1.330 30.101 28.738 0.055 0.000 1.251 119 Q HN 0.697 nan 8.270 nan 0.000 0.456 120 I N 2.481 123.116 120.570 0.108 0.000 2.441 120 I HA 0.420 4.591 4.170 0.001 0.000 0.295 120 I C -0.367 175.757 176.117 0.011 0.000 0.994 120 I CA -0.634 60.671 61.300 0.009 0.000 1.144 120 I CB 2.275 40.300 38.000 0.042 0.000 1.314 120 I HN 0.460 nan 8.210 nan 0.000 0.445 121 T N 6.521 121.042 114.554 -0.055 0.000 2.841 121 T HA 0.635 4.985 4.350 0.001 0.000 0.283 121 T C -0.298 174.340 174.700 -0.104 0.000 1.000 121 T CA -0.544 61.530 62.100 -0.043 0.000 0.977 121 T CB 1.551 70.403 68.868 -0.027 0.000 0.979 121 T HN 0.262 nan 8.240 nan 0.000 0.446 122 L N 2.613 123.770 121.223 -0.110 0.000 2.334 122 L HA 0.532 4.873 4.340 0.001 0.000 0.270 122 L C 1.460 178.285 176.870 -0.075 0.000 1.018 122 L CA -1.088 53.665 54.840 -0.146 0.000 0.811 122 L CB 1.376 43.304 42.059 -0.219 0.000 1.271 122 L HN 0.710 nan 8.230 nan 0.000 0.443 123 K N -0.107 120.248 120.400 -0.074 0.000 2.505 123 K HA 0.149 4.470 4.320 0.001 0.000 0.192 123 K C 0.059 176.652 176.600 -0.011 0.000 1.025 123 K CA 0.162 56.426 56.287 -0.039 0.000 1.086 123 K CB 0.072 32.547 32.500 -0.042 0.000 0.840 123 K HN 0.626 nan 8.250 nan 0.000 0.514 124 S N -1.332 114.369 115.700 0.001 0.000 2.656 124 S HA 0.433 4.904 4.470 0.001 0.000 0.265 124 S C -1.510 173.143 174.600 0.089 0.000 1.110 124 S CA -0.708 57.525 58.200 0.054 0.000 0.821 124 S CB 0.587 63.838 63.200 0.084 0.000 1.099 124 S HN 0.190 nan 8.310 nan 0.000 0.471 125 A N 1.514 124.421 122.820 0.146 0.000 2.922 125 A HA 0.502 4.823 4.320 0.001 0.000 0.298 125 A C -0.574 177.201 177.584 0.318 0.000 1.588 125 A CA -0.278 51.883 52.037 0.205 0.000 1.288 125 A CB -1.186 17.902 19.000 0.146 0.000 1.130 125 A HN 1.014 nan 8.150 nan 0.000 0.557 126 Y N 3.752 124.076 120.300 0.040 0.000 2.624 126 Y HA 0.198 4.748 4.550 0.001 0.000 0.354 126 Y C 1.075 176.975 175.900 -0.000 0.000 1.051 126 Y CA -0.638 57.441 58.100 -0.036 0.000 1.377 126 Y CB -0.087 38.291 38.460 -0.136 0.000 1.168 126 Y HN 0.745 nan 8.280 nan 0.000 0.525 127 Y N 4.908 125.000 120.300 -0.347 0.000 2.274 127 Y HA 0.065 4.616 4.550 0.001 0.000 0.290 127 Y C -1.260 174.400 175.900 -0.401 0.000 1.145 127 Y CA 0.251 58.177 58.100 -0.289 0.000 1.203 127 Y CB -1.799 36.467 38.460 -0.323 0.000 0.984 127 Y HN 0.387 nan 8.280 nan 0.000 0.533 128 P HA -0.010 nan 4.420 nan 0.000 0.249 128 P C 1.237 178.388 177.300 -0.249 0.000 1.241 128 P CA 0.418 63.055 63.100 -0.772 0.000 0.781 128 P CB -0.516 30.523 31.700 -1.102 0.000 1.088 129 F N 1.114 120.874 119.950 -0.318 0.000 2.052 129 F HA -0.341 4.186 4.527 0.001 0.000 0.297 129 F C 1.912 177.601 175.800 -0.184 0.000 1.166 129 F CA 1.637 59.557 58.000 -0.134 0.000 1.218 129 F CB -0.645 38.125 39.000 -0.383 0.000 0.943 129 F HN -0.237 nan 8.300 nan 0.000 0.521 130 L N 0.079 120.933 121.223 -0.615 0.000 2.013 130 L HA -0.305 4.036 4.340 0.001 0.000 0.212 130 L C 2.634 179.324 176.870 -0.300 0.000 1.073 130 L CA 1.561 56.024 54.840 -0.629 0.000 0.753 130 L CB -1.073 40.769 42.059 -0.361 0.000 0.890 130 L HN 0.409 nan 8.230 nan 0.000 0.432 131 Q N 0.201 119.923 119.800 -0.130 0.000 2.045 131 Q HA -0.268 4.073 4.340 0.001 0.000 0.206 131 Q C 2.051 178.023 176.000 -0.047 0.000 0.991 131 Q CA 1.899 57.684 55.803 -0.030 0.000 0.851 131 Q CB -0.342 28.404 28.738 0.014 0.000 0.911 131 Q HN 0.617 nan 8.270 nan 0.000 0.418 132 E N 0.396 120.595 120.200 -0.001 0.000 2.338 132 E HA -0.081 4.270 4.350 0.001 0.000 0.197 132 E C 1.842 178.490 176.600 0.080 0.000 1.007 132 E CA 0.298 56.741 56.400 0.072 0.000 0.849 132 E CB 0.029 29.850 29.700 0.202 0.000 0.774 132 E HN 0.292 nan 8.360 nan 0.000 0.506 133 L N -0.171 121.009 121.223 -0.072 0.000 2.509 133 L HA 0.059 4.399 4.340 0.001 0.000 0.222 133 L C 2.181 179.019 176.870 -0.054 0.000 1.123 133 L CA 0.166 54.966 54.840 -0.067 0.000 0.856 133 L CB 0.011 41.855 42.059 -0.359 0.000 0.985 133 L HN 0.127 nan 8.230 nan 0.000 0.456 134 A N -0.204 122.576 122.820 -0.067 0.000 2.030 134 A HA 0.136 4.457 4.320 0.001 0.000 0.215 134 A C 1.179 178.744 177.584 -0.031 0.000 1.164 134 A CA -0.068 51.945 52.037 -0.041 0.000 0.697 134 A CB -0.151 18.853 19.000 0.007 0.000 0.827 134 A HN 0.204 nan 8.150 nan 0.000 0.457 135 L N 0.500 121.701 121.223 -0.037 0.000 2.499 135 L HA 0.033 4.374 4.340 0.001 0.000 0.281 135 L C -0.927 175.960 176.870 0.030 0.000 1.234 135 L CA -1.101 53.730 54.840 -0.014 0.000 0.839 135 L CB 0.140 42.215 42.059 0.028 0.000 1.104 135 L HN 0.164 nan 8.230 nan 0.000 0.500 136 P HA -0.146 nan 4.420 nan 0.000 0.221 136 P C -0.293 176.986 177.300 -0.034 0.000 1.145 136 P CA 1.470 64.588 63.100 0.031 0.000 0.795 136 P CB 0.116 31.848 31.700 0.052 0.000 0.775 137 R N -1.810 118.686 120.500 -0.008 0.000 2.663 137 R HA 0.399 4.740 4.340 0.001 0.000 0.267 137 R C -2.910 173.353 176.300 -0.062 0.000 1.038 137 R CA -1.573 54.449 56.100 -0.130 0.000 0.886 137 R CB 0.136 30.297 30.300 -0.230 0.000 1.249 137 R HN -0.266 nan 8.270 nan 0.000 0.463 138 P HA 0.172 nan 4.420 nan 0.000 0.267 138 P C -0.373 176.454 177.300 -0.789 0.000 1.289 138 P CA 0.059 62.763 63.100 -0.659 0.000 0.866 138 P CB 0.185 31.351 31.700 -0.889 0.000 1.309 139 F N 1.172 120.933 119.950 -0.314 0.000 2.833 139 F HA 0.280 4.808 4.527 0.001 0.000 0.327 139 F C 1.312 176.638 175.800 -0.789 0.000 1.184 139 F CA -0.453 57.224 58.000 -0.539 0.000 1.328 139 F CB -0.017 38.769 39.000 -0.356 0.000 1.440 139 F HN -0.302 nan 8.300 nan 0.000 0.569 140 R N -0.123 119.994 120.500 -0.639 0.000 2.902 140 R HA 0.675 5.016 4.340 0.001 0.000 0.258 140 R C -1.213 174.605 176.300 -0.803 0.000 1.071 140 R CA -0.991 54.664 56.100 -0.741 0.000 1.024 140 R CB 1.709 31.854 30.300 -0.258 0.000 1.184 140 R HN 0.031 nan 8.270 nan 0.000 0.492 141 F N 0.694 120.727 119.950 0.139 0.000 2.508 141 F HA 0.562 5.090 4.527 0.002 0.000 0.325 141 F C 0.259 176.382 175.800 0.538 0.000 1.090 141 F CA -0.882 57.300 58.000 0.303 0.000 0.945 141 F CB 1.294 40.529 39.000 0.392 0.000 1.156 141 F HN 0.239 nan 8.300 nan 0.000 0.463 142 I N 1.212 122.161 120.570 0.633 0.000 3.067 142 I HA 0.799 4.970 4.170 0.001 0.000 0.312 142 I C -0.591 175.537 176.117 0.019 0.000 1.073 142 I CA -1.202 60.389 61.300 0.484 0.000 1.016 142 I CB 1.814 39.926 38.000 0.186 0.000 1.227 142 I HN 0.733 nan 8.210 nan 0.000 0.456 143 A N 5.825 128.260 122.820 -0.641 0.000 2.451 143 A HA 0.359 4.680 4.320 0.001 0.000 0.266 143 A C -2.018 175.344 177.584 -0.370 0.000 1.119 143 A CA -1.078 50.346 52.037 -1.022 0.000 0.786 143 A CB -0.257 18.263 19.000 -0.801 0.000 1.061 143 A HN 0.628 nan 8.150 nan 0.000 0.503 144 P HA -0.216 nan 4.420 nan 0.000 0.217 144 P C 1.611 178.476 177.300 -0.724 0.000 1.148 144 P CA 1.937 64.476 63.100 -0.934 0.000 0.828 144 P CB 0.087 31.414 31.700 -0.623 0.000 0.783 145 S N -1.626 113.858 115.700 -0.359 0.000 2.584 145 S HA -0.146 4.325 4.470 0.001 0.000 0.240 145 S C 1.549 176.084 174.600 -0.109 0.000 0.975 145 S CA 0.849 58.928 58.200 -0.203 0.000 0.949 145 S CB -0.820 62.296 63.200 -0.139 0.000 0.761 145 S HN 0.119 nan 8.310 nan 0.000 0.536 146 Q N 0.057 119.828 119.800 -0.048 0.000 2.281 146 Q HA 0.374 4.715 4.340 0.001 0.000 0.215 146 Q C -0.120 176.032 176.000 0.254 0.000 0.867 146 Q CA -0.205 55.654 55.803 0.093 0.000 0.940 146 Q CB -0.053 28.744 28.738 0.097 0.000 1.111 146 Q HN 0.694 nan 8.270 nan 0.000 0.513 147 F N 2.250 122.186 119.950 -0.023 0.000 2.578 147 F HA 0.015 4.543 4.527 0.001 0.000 0.376 147 F C 1.198 176.973 175.800 -0.042 0.000 1.085 147 F CA -0.207 57.788 58.000 -0.009 0.000 1.260 147 F CB 0.558 39.573 39.000 0.025 0.000 1.095 147 F HN -0.405 nan 8.300 nan 0.000 0.573 148 K N 4.049 124.525 120.400 0.128 0.000 2.338 148 K HA 0.049 4.370 4.320 0.001 0.000 0.290 148 K C 0.200 176.816 176.600 0.027 0.000 1.069 148 K CA 0.266 56.579 56.287 0.044 0.000 0.941 148 K CB 0.673 33.183 32.500 0.017 0.000 1.023 148 K HN 0.840 nan 8.250 nan 0.000 0.477 149 N N 1.757 120.426 118.700 -0.051 0.000 2.054 149 N HA -0.259 4.481 4.740 0.001 0.000 0.194 149 N C -0.109 175.213 175.510 -0.313 0.000 0.727 149 N CA 1.380 54.333 53.050 -0.162 0.000 1.387 149 N CB -0.876 37.600 38.487 -0.019 0.000 1.533 149 N HN 0.782 nan 8.380 nan 0.000 0.402 150 H N 0.064 119.233 119.070 0.164 0.000 3.052 150 H HA 0.381 4.938 4.556 0.001 0.000 0.257 150 H C -0.370 175.167 175.328 0.347 0.000 1.193 150 H CA -0.016 56.178 56.048 0.244 0.000 1.072 150 H CB 0.463 30.316 29.762 0.152 0.000 1.685 150 H HN 0.304 nan 8.280 nan 0.000 0.630 151 E N 0.142 120.502 120.200 0.268 0.000 2.428 151 E HA 0.274 4.625 4.350 0.001 0.000 0.259 151 E C 0.892 177.380 176.600 -0.187 0.000 0.930 151 E CA -0.263 56.161 56.400 0.040 0.000 0.823 151 E CB 1.755 31.478 29.700 0.040 0.000 1.403 151 E HN 0.178 nan 8.360 nan 0.000 0.415 152 T N -3.705 110.678 114.554 -0.285 0.000 2.989 152 T HA 0.005 4.356 4.350 0.001 0.000 0.250 152 T C 1.830 176.466 174.700 -0.106 0.000 0.981 152 T CA 0.465 62.409 62.100 -0.260 0.000 0.980 152 T CB -0.191 68.513 68.868 -0.274 0.000 1.133 152 T HN 0.479 nan 8.240 nan 0.000 0.489 153 M N 2.780 122.343 119.600 -0.063 0.000 2.337 153 M HA -0.075 4.406 4.480 0.001 0.000 0.261 153 M C 1.672 177.963 176.300 -0.016 0.000 1.067 153 M CA 2.124 57.414 55.300 -0.018 0.000 1.074 153 M CB -1.085 31.518 32.600 0.004 0.000 1.395 153 M HN 0.315 nan 8.290 nan 0.000 0.431 154 N N 1.210 119.898 118.700 -0.019 0.000 2.446 154 N HA 0.265 5.006 4.740 0.001 0.000 0.179 154 N C 0.792 176.293 175.510 -0.016 0.000 1.054 154 N CA 1.124 54.169 53.050 -0.008 0.000 0.905 154 N CB 0.172 38.660 38.487 0.003 0.000 0.973 154 N HN 0.600 nan 8.380 nan 0.000 0.448 155 G N 0.010 108.791 108.800 -0.032 0.000 2.361 155 G HA2 0.271 4.232 3.960 0.001 0.000 0.331 155 G HA3 0.271 4.232 3.960 0.001 0.000 0.331 155 G C -1.483 173.394 174.900 -0.038 0.000 1.324 155 G CA -0.479 44.599 45.100 -0.036 0.000 0.984 155 G HN 0.500 nan 8.290 nan 0.000 0.586 156 I N -3.204 117.347 120.570 -0.031 0.000 3.145 156 I HA 0.763 4.934 4.170 0.001 0.000 0.313 156 I C 0.514 176.637 176.117 0.010 0.000 1.122 156 I CA -1.395 59.902 61.300 -0.005 0.000 0.987 156 I CB 1.985 39.972 38.000 -0.020 0.000 1.236 156 I HN 0.472 nan 8.210 nan 0.000 0.453 157 K N 2.032 122.451 120.400 0.032 0.000 2.051 157 K HA 0.406 4.727 4.320 0.001 0.000 0.212 157 K C 0.474 177.082 176.600 0.013 0.000 1.032 157 K CA 0.793 57.091 56.287 0.018 0.000 0.982 157 K CB -0.482 32.031 32.500 0.020 0.000 1.002 157 K HN 0.801 nan 8.250 nan 0.000 0.452 158 A N 2.637 125.470 122.820 0.022 0.000 2.324 158 A HA 0.396 4.717 4.320 0.001 0.000 0.330 158 A C -2.366 175.250 177.584 0.054 0.000 1.165 158 A CA -1.548 50.501 52.037 0.020 0.000 0.813 158 A CB 0.812 19.819 19.000 0.012 0.000 1.197 158 A HN 0.158 nan 8.150 nan 0.000 0.484 159 P HA 0.196 nan 4.420 nan 0.000 0.241 159 P C -0.925 176.442 177.300 0.111 0.000 1.760 159 P CA 0.188 63.373 63.100 0.141 0.000 1.081 159 P CB -0.475 31.280 31.700 0.091 0.000 1.975 160 I N 1.931 122.595 120.570 0.156 0.000 2.325 160 I HA 0.497 4.668 4.170 0.001 0.000 0.291 160 I C 1.224 177.549 176.117 0.346 0.000 1.019 160 I CA 0.355 61.751 61.300 0.159 0.000 1.302 160 I CB 1.195 39.246 38.000 0.085 0.000 1.401 160 I HN 0.208 nan 8.210 nan 0.000 0.485 161 G N 2.431 111.429 108.800 0.331 0.000 3.015 161 G HA2 0.503 4.464 3.960 0.001 0.000 0.281 161 G HA3 0.503 4.464 3.960 0.001 0.000 0.281 161 G C 0.266 175.417 174.900 0.418 0.000 1.386 161 G CA -0.025 45.396 45.100 0.535 0.000 0.959 161 G HN 0.459 nan 8.290 nan 0.000 0.522 162 T N -2.411 112.251 114.554 0.180 0.000 3.086 162 T HA 0.380 4.731 4.350 0.001 0.000 0.250 162 T C 1.133 176.021 174.700 0.314 0.000 1.074 162 T CA 0.609 62.737 62.100 0.047 0.000 0.988 162 T CB 0.051 68.742 68.868 -0.296 0.000 0.988 162 T HN 0.806 nan 8.240 nan 0.000 0.530 163 G N 2.563 111.514 108.800 0.253 0.000 2.606 163 G HA2 0.435 4.396 3.960 0.001 0.000 0.252 163 G HA3 0.435 4.396 3.960 0.001 0.000 0.252 163 G C -1.149 173.773 174.900 0.036 0.000 1.206 163 G CA -1.407 43.834 45.100 0.235 0.000 0.861 163 G HN 0.085 nan 8.290 nan 0.000 0.561 164 P HA -0.027 nan 4.420 nan 0.000 0.230 164 P C -0.578 176.174 177.300 -0.913 0.000 1.158 164 P CA 0.792 63.306 63.100 -0.977 0.000 0.769 164 P CB 0.209 31.025 31.700 -1.473 0.000 0.807 165 W N 0.334 121.591 121.300 -0.071 0.000 2.656 165 W HA 0.509 5.170 4.660 0.002 0.000 0.327 165 W C -0.225 176.375 176.519 0.135 0.000 1.041 165 W CA -0.777 56.588 57.345 0.034 0.000 1.229 165 W CB 1.270 30.712 29.460 -0.030 0.000 1.397 165 W HN -0.325 nan 8.180 nan 0.000 0.479 166 I N 5.242 126.029 120.570 0.362 0.000 2.330 166 I HA 0.121 4.292 4.170 0.001 0.000 0.289 166 I C 0.062 176.246 176.117 0.113 0.000 1.001 166 I CA -1.113 60.307 61.300 0.200 0.000 1.193 166 I CB 0.876 38.938 38.000 0.104 0.000 1.345 166 I HN 0.201 nan 8.210 nan 0.000 0.461 167 L N 7.370 128.541 121.223 -0.087 0.000 2.654 167 L HA -0.043 4.298 4.340 0.001 0.000 0.271 167 L C 1.060 177.743 176.870 -0.312 0.000 1.169 167 L CA 1.075 55.544 54.840 -0.618 0.000 0.947 167 L CB 0.463 42.216 42.059 -0.509 0.000 1.232 167 L HN 0.866 nan 8.230 nan 0.000 0.486 168 Q N 4.262 123.891 119.800 -0.285 0.000 2.376 168 Q HA 0.085 4.426 4.340 0.001 0.000 0.206 168 Q C -0.144 175.794 176.000 -0.103 0.000 0.921 168 Q CA 0.456 56.190 55.803 -0.115 0.000 0.911 168 Q CB 0.795 29.517 28.738 -0.026 0.000 1.032 168 Q HN 0.837 nan 8.270 nan 0.000 0.510 169 E N -0.595 119.511 120.200 -0.158 0.000 2.401 169 E HA 0.270 4.621 4.350 0.001 0.000 0.283 169 E C -1.845 174.660 176.600 -0.159 0.000 1.053 169 E CA -0.281 56.056 56.400 -0.105 0.000 0.842 169 E CB 1.469 31.174 29.700 0.009 0.000 1.222 169 E HN -0.038 nan 8.360 nan 0.000 0.429 170 S N 1.859 117.448 115.700 -0.186 0.000 2.547 170 S HA 0.555 5.025 4.470 0.001 0.000 0.281 170 S C -1.464 172.951 174.600 -0.308 0.000 1.118 170 S CA -0.705 57.354 58.200 -0.236 0.000 0.947 170 S CB 1.578 64.671 63.200 -0.178 0.000 1.053 170 S HN 0.382 nan 8.310 nan 0.000 0.482 171 K N 2.977 123.107 120.400 -0.450 0.000 2.621 171 K HA 0.426 4.747 4.320 0.001 0.000 0.233 171 K C -1.089 175.357 176.600 -0.257 0.000 0.972 171 K CA -0.733 55.293 56.287 -0.435 0.000 0.988 171 K CB 0.448 32.442 32.500 -0.843 0.000 1.187 171 K HN 0.545 nan 8.250 nan 0.000 0.471 172 L N 4.334 125.472 121.223 -0.143 0.000 2.795 172 L HA -0.171 4.170 4.340 0.001 0.000 0.290 172 L C 0.037 176.882 176.870 -0.043 0.000 1.206 172 L CA 1.885 56.681 54.840 -0.073 0.000 0.919 172 L CB -0.650 41.379 42.059 -0.050 0.000 1.227 172 L HN 1.007 nan 8.230 nan 0.000 0.483 173 N N 0.838 119.535 118.700 -0.006 0.000 2.857 173 N HA -0.281 4.460 4.740 0.001 0.000 0.242 173 N C 0.660 176.201 175.510 0.053 0.000 0.983 173 N CA 1.069 54.136 53.050 0.028 0.000 0.934 173 N CB -0.540 37.960 38.487 0.022 0.000 1.115 173 N HN 0.745 nan 8.380 nan 0.000 0.593 174 Q N -0.641 119.178 119.800 0.031 0.000 2.514 174 Q HA 0.214 4.554 4.340 0.001 0.000 0.191 174 Q C 0.001 176.148 176.000 0.246 0.000 0.968 174 Q CA 1.258 57.135 55.803 0.124 0.000 0.852 174 Q CB 0.505 29.291 28.738 0.080 0.000 1.051 174 Q HN 0.542 nan 8.270 nan 0.000 0.604 175 Y N -1.853 118.494 120.300 0.079 0.000 2.689 175 Y HA 0.657 5.208 4.550 0.001 0.000 0.333 175 Y C -1.726 174.234 175.900 0.100 0.000 1.208 175 Y CA -1.497 56.670 58.100 0.111 0.000 1.055 175 Y CB 0.967 39.482 38.460 0.092 0.000 1.304 175 Y HN -0.151 nan 8.280 nan 0.000 0.455 176 D N 0.859 121.440 120.400 0.301 0.000 2.896 176 D HA 0.582 5.223 4.640 0.001 0.000 0.241 176 D C -1.439 175.054 176.300 0.321 0.000 1.188 176 D CA -0.369 53.731 54.000 0.167 0.000 0.879 176 D CB 2.881 43.757 40.800 0.127 0.000 1.553 176 D HN 0.536 nan 8.370 nan 0.000 0.515 177 V N 2.601 122.598 119.914 0.139 0.000 2.604 177 V HA 0.557 4.678 4.120 0.001 0.000 0.305 177 V C -0.803 175.267 176.094 -0.040 0.000 1.043 177 V CA -0.635 61.767 62.300 0.170 0.000 0.888 177 V CB 1.407 33.330 31.823 0.165 0.000 0.995 177 V HN 0.361 nan 8.190 nan 0.000 0.429 178 F N 3.396 123.415 119.950 0.116 0.000 2.561 178 F HA 0.821 5.349 4.527 0.001 0.000 0.321 178 F C 0.145 176.040 175.800 0.158 0.000 1.065 178 F CA -0.745 57.328 58.000 0.121 0.000 0.934 178 F CB 2.195 41.251 39.000 0.093 0.000 1.215 178 F HN 0.398 nan 8.300 nan 0.000 0.471 179 V N -0.426 119.719 119.914 0.386 0.000 3.074 179 V HA 0.665 4.785 4.120 0.001 0.000 0.314 179 V C -0.453 175.856 176.094 0.359 0.000 1.117 179 V CA -1.323 61.163 62.300 0.310 0.000 1.014 179 V CB 1.761 33.679 31.823 0.158 0.000 1.057 179 V HN 0.850 nan 8.190 nan 0.000 0.438 180 R N 1.446 122.063 120.500 0.194 0.000 2.615 180 R HA 0.290 4.630 4.340 0.001 0.000 0.270 180 R C -0.260 175.973 176.300 -0.111 0.000 1.081 180 R CA -0.222 55.799 56.100 -0.132 0.000 1.154 180 R CB 0.514 30.697 30.300 -0.196 0.000 1.063 180 R HN 0.944 nan 8.270 nan 0.000 0.519 181 N N 1.667 120.228 118.700 -0.232 0.000 2.500 181 N HA 0.018 4.759 4.740 0.001 0.000 0.236 181 N C -0.050 175.426 175.510 -0.057 0.000 1.022 181 N CA -0.269 52.727 53.050 -0.089 0.000 0.935 181 N CB 1.114 39.565 38.487 -0.061 0.000 1.147 181 N HN 0.512 nan 8.380 nan 0.000 0.512 182 E N 1.755 121.944 120.200 -0.019 0.000 2.268 182 E HA -0.075 4.275 4.350 0.001 0.000 0.195 182 E C -0.114 176.496 176.600 0.016 0.000 0.995 182 E CA 0.793 57.188 56.400 -0.008 0.000 0.836 182 E CB 0.032 29.733 29.700 0.002 0.000 0.763 182 E HN 0.584 nan 8.360 nan 0.000 0.491 183 N N 0.527 119.251 118.700 0.040 0.000 2.380 183 N HA -0.021 4.720 4.740 0.001 0.000 0.255 183 N C -0.353 175.198 175.510 0.068 0.000 1.158 183 N CA -0.174 52.905 53.050 0.048 0.000 0.878 183 N CB -0.064 38.455 38.487 0.054 0.000 1.138 183 N HN 0.123 nan 8.380 nan 0.000 0.509 184 Y N 1.780 122.034 120.300 -0.077 0.000 2.497 184 Y HA -0.041 4.510 4.550 0.002 0.000 0.334 184 Y C 1.686 177.522 175.900 -0.106 0.000 1.199 184 Y CA -0.713 57.310 58.100 -0.128 0.000 1.425 184 Y CB 0.492 38.788 38.460 -0.274 0.000 1.291 184 Y HN 0.219 nan 8.280 nan 0.000 0.562 185 W N 4.457 125.214 121.300 -0.906 0.000 2.402 185 W HA 0.137 4.798 4.660 0.002 0.000 0.286 185 W C 0.232 176.377 176.519 -0.625 0.000 1.221 185 W CA 0.700 57.645 57.345 -0.665 0.000 1.257 185 W CB -1.084 28.015 29.460 -0.601 0.000 1.120 185 W HN 0.664 nan 8.180 nan 0.000 0.551 186 G N 1.069 108.863 108.800 -1.676 0.000 2.828 186 G HA2 0.219 4.180 3.960 0.001 0.000 0.244 186 G HA3 0.219 4.180 3.960 0.001 0.000 0.244 186 G C -0.453 174.304 174.900 -0.237 0.000 1.365 186 G CA -0.815 43.726 45.100 -0.931 0.000 1.041 186 G HN -0.130 nan 8.290 nan 0.000 0.560 187 E N 0.547 120.660 120.200 -0.144 0.000 2.568 187 E HA -0.015 4.336 4.350 0.001 0.000 0.262 187 E C 0.136 176.712 176.600 -0.040 0.000 0.961 187 E CA 0.427 56.792 56.400 -0.058 0.000 0.945 187 E CB 0.858 30.531 29.700 -0.045 0.000 0.924 187 E HN 0.383 nan 8.360 nan 0.000 0.467 188 K N 3.908 124.274 120.400 -0.057 0.000 2.205 188 K HA 0.264 4.585 4.320 0.001 0.000 0.279 188 K C -2.341 174.183 176.600 -0.128 0.000 1.027 188 K CA -1.658 54.564 56.287 -0.107 0.000 0.932 188 K CB 0.542 32.999 32.500 -0.071 0.000 1.032 188 K HN 0.096 nan 8.250 nan 0.000 0.466 189 P HA 0.100 nan 4.420 nan 0.000 0.276 189 P C -0.372 176.911 177.300 -0.028 0.000 1.230 189 P CA -0.191 62.837 63.100 -0.119 0.000 0.776 189 P CB 1.440 32.983 31.700 -0.262 0.000 0.888 190 A N 3.986 126.829 122.820 0.037 0.000 2.019 190 A HA -0.077 4.244 4.320 0.001 0.000 0.219 190 A C 1.044 178.678 177.584 0.083 0.000 1.164 190 A CA 0.921 52.986 52.037 0.046 0.000 0.644 190 A CB -0.811 18.218 19.000 0.047 0.000 0.805 190 A HN 0.555 nan 8.150 nan 0.000 0.449 191 I N 0.502 121.174 120.570 0.170 0.000 2.337 191 I HA 0.053 4.224 4.170 0.001 0.000 0.291 191 I C 1.022 177.305 176.117 0.277 0.000 1.046 191 I CA -0.372 61.065 61.300 0.228 0.000 1.324 191 I CB 1.233 39.405 38.000 0.287 0.000 1.409 191 I HN 0.227 nan 8.210 nan 0.000 0.494 192 K N 5.405 125.905 120.400 0.167 0.000 2.057 192 K HA -0.073 4.247 4.320 0.001 0.000 0.206 192 K C 0.445 177.185 176.600 0.234 0.000 1.050 192 K CA 1.232 57.607 56.287 0.146 0.000 0.935 192 K CB 0.092 32.640 32.500 0.080 0.000 0.715 192 K HN 0.601 nan 8.250 nan 0.000 0.439 193 K N -0.185 120.332 120.400 0.195 0.000 2.557 193 K HA 0.385 4.706 4.320 0.001 0.000 0.261 193 K C -1.393 175.213 176.600 0.009 0.000 0.932 193 K CA -0.587 55.802 56.287 0.170 0.000 0.829 193 K CB 1.476 34.049 32.500 0.123 0.000 1.358 193 K HN -0.158 nan 8.250 nan 0.000 0.430 194 I N 1.997 122.523 120.570 -0.073 0.000 2.530 194 I HA 0.360 4.531 4.170 0.001 0.000 0.297 194 I C -0.764 175.281 176.117 -0.119 0.000 1.011 194 I CA -0.932 60.188 61.300 -0.299 0.000 1.107 194 I CB 2.555 40.091 38.000 -0.774 0.000 1.285 194 I HN 0.655 nan 8.210 nan 0.000 0.436 195 T N 5.369 119.795 114.554 -0.213 0.000 2.812 195 T HA 0.520 4.871 4.350 0.001 0.000 0.282 195 T C -0.733 173.877 174.700 -0.150 0.000 0.990 195 T CA -0.355 61.729 62.100 -0.027 0.000 0.960 195 T CB 0.606 69.460 68.868 -0.024 0.000 0.948 195 T HN 0.098 nan 8.240 nan 0.000 0.438 196 F N 2.884 122.913 119.950 0.131 0.000 2.361 196 F HA 0.424 4.952 4.527 0.001 0.000 0.364 196 F C 0.674 176.603 175.800 0.214 0.000 1.117 196 F CA -1.079 57.020 58.000 0.165 0.000 1.071 196 F CB 0.686 39.820 39.000 0.224 0.000 1.188 196 F HN 0.393 nan 8.300 nan 0.000 0.464 197 N N 1.861 120.738 118.700 0.294 0.000 2.434 197 N HA 0.333 5.074 4.740 0.001 0.000 0.272 197 N C -0.881 174.794 175.510 0.276 0.000 1.040 197 N CA -0.385 52.823 53.050 0.264 0.000 0.956 197 N CB 1.431 40.015 38.487 0.163 0.000 1.108 197 N HN 0.228 nan 8.380 nan 0.000 0.481 198 V N 4.226 124.294 119.914 0.257 0.000 2.421 198 V HA 0.157 4.278 4.120 0.001 0.000 0.271 198 V C 0.198 176.379 176.094 0.145 0.000 1.031 198 V CA 0.173 62.600 62.300 0.211 0.000 1.032 198 V CB -0.706 31.218 31.823 0.169 0.000 1.009 198 V HN 0.573 nan 8.190 nan 0.000 0.477 199 I N 7.901 128.543 120.570 0.119 0.000 2.583 199 I HA 0.276 4.447 4.170 0.001 0.000 0.276 199 I C -1.464 174.667 176.117 0.024 0.000 1.089 199 I CA -1.433 59.911 61.300 0.073 0.000 1.103 199 I CB 2.289 40.336 38.000 0.079 0.000 1.209 199 I HN 0.390 nan 8.210 nan 0.000 0.484 200 P HA -0.147 nan 4.420 nan 0.000 0.218 200 P C 0.274 177.554 177.300 -0.034 0.000 1.148 200 P CA 1.175 64.261 63.100 -0.023 0.000 0.822 200 P CB 0.278 31.975 31.700 -0.006 0.000 0.784 201 D N -0.459 119.933 120.400 -0.012 0.000 2.256 201 D HA 0.139 4.780 4.640 0.001 0.000 0.250 201 D C -1.575 174.711 176.300 -0.023 0.000 1.093 201 D CA -2.331 51.659 54.000 -0.016 0.000 0.882 201 D CB 1.423 42.223 40.800 -0.000 0.000 1.185 201 D HN -0.127 nan 8.370 nan 0.000 0.437 202 P HA -0.115 nan 4.420 nan 0.000 0.215 202 P C 1.112 178.400 177.300 -0.021 0.000 1.157 202 P CA 1.185 64.255 63.100 -0.050 0.000 0.863 202 P CB 0.186 31.842 31.700 -0.073 0.000 0.787 203 T N -0.907 113.639 114.554 -0.013 0.000 2.708 203 T HA -0.131 4.220 4.350 0.001 0.000 0.266 203 T C 1.726 176.448 174.700 0.037 0.000 1.037 203 T CA 2.114 64.218 62.100 0.006 0.000 1.146 203 T CB -1.345 67.526 68.868 0.004 0.000 0.865 203 T HN 0.187 nan 8.240 nan 0.000 0.435 204 T N 1.986 116.559 114.554 0.033 0.000 2.759 204 T HA -0.078 4.273 4.350 0.001 0.000 0.269 204 T C 2.089 176.832 174.700 0.071 0.000 1.042 204 T CA 0.938 63.067 62.100 0.049 0.000 1.140 204 T CB -0.167 68.724 68.868 0.039 0.000 0.864 204 T HN 0.381 nan 8.240 nan 0.000 0.455 205 R N 0.821 121.360 120.500 0.065 0.000 2.115 205 R HA 0.086 4.427 4.340 0.001 0.000 0.230 205 R C 2.791 179.185 176.300 0.158 0.000 1.111 205 R CA 1.122 57.277 56.100 0.093 0.000 0.976 205 R CB -0.400 29.933 30.300 0.054 0.000 0.870 205 R HN 0.384 nan 8.270 nan 0.000 0.445 206 A N 0.830 123.740 122.820 0.150 0.000 1.841 206 A HA -0.093 4.228 4.320 0.001 0.000 0.214 206 A C 2.333 180.104 177.584 0.312 0.000 1.195 206 A CA 1.158 53.356 52.037 0.268 0.000 0.611 206 A CB -0.735 18.341 19.000 0.127 0.000 0.835 206 A HN 0.085 nan 8.150 nan 0.000 0.443 207 V N 0.192 120.219 119.914 0.188 0.000 2.380 207 V HA -0.322 3.799 4.120 0.001 0.000 0.251 207 V C 2.999 179.161 176.094 0.114 0.000 1.063 207 V CA 2.086 64.472 62.300 0.143 0.000 1.055 207 V CB -1.186 30.690 31.823 0.088 0.000 0.657 207 V HN 0.632 nan 8.190 nan 0.000 0.455 208 A N -1.007 121.885 122.820 0.121 0.000 1.969 208 A HA -0.203 4.118 4.320 0.001 0.000 0.218 208 A C 2.063 179.688 177.584 0.069 0.000 1.169 208 A CA 1.849 53.938 52.037 0.086 0.000 0.635 208 A CB -0.572 18.487 19.000 0.098 0.000 0.810 208 A HN 0.553 nan 8.150 nan 0.000 0.445 209 F N 0.894 120.845 119.950 0.003 0.000 2.187 209 F HA -0.019 4.509 4.527 0.001 0.000 0.295 209 F C 2.115 177.800 175.800 -0.192 0.000 1.091 209 F CA 1.681 59.621 58.000 -0.099 0.000 1.308 209 F CB -0.264 38.673 39.000 -0.105 0.000 1.030 209 F HN 0.342 nan 8.300 nan 0.000 0.487 210 E N -0.324 119.777 120.200 -0.164 0.000 2.038 210 E HA -0.255 4.095 4.350 0.001 0.000 0.195 210 E C 2.069 178.553 176.600 -0.194 0.000 1.000 210 E CA 2.121 58.420 56.400 -0.169 0.000 0.803 210 E CB -0.699 29.063 29.700 0.104 0.000 0.750 210 E HN 0.493 nan 8.360 nan 0.000 0.448 211 T N -2.194 112.291 114.554 -0.116 0.000 3.139 211 T HA 0.009 4.360 4.350 0.001 0.000 0.267 211 T C 1.530 176.137 174.700 -0.154 0.000 1.164 211 T CA 0.893 62.935 62.100 -0.097 0.000 1.075 211 T CB -0.128 68.710 68.868 -0.050 0.000 0.904 211 T HN 0.417 nan 8.240 nan 0.000 0.540 212 G N 0.791 109.423 108.800 -0.280 0.000 2.199 212 G HA2 -0.295 3.666 3.960 0.001 0.000 0.254 212 G HA3 -0.295 3.666 3.960 0.001 0.000 0.254 212 G C 0.519 175.294 174.900 -0.209 0.000 0.982 212 G CA 0.389 45.314 45.100 -0.291 0.000 0.632 212 G HN 0.528 nan 8.290 nan 0.000 0.529 213 D N 0.155 120.465 120.400 -0.151 0.000 2.116 213 D HA -0.031 4.609 4.640 0.001 0.000 0.193 213 D C 1.503 177.762 176.300 -0.068 0.000 0.998 213 D CA 1.240 55.190 54.000 -0.083 0.000 0.836 213 D CB 0.084 40.860 40.800 -0.040 0.000 0.951 213 D HN 0.479 nan 8.370 nan 0.000 0.449 214 I N 0.557 121.091 120.570 -0.060 0.000 2.498 214 I HA 0.126 4.297 4.170 0.001 0.000 0.301 214 I C 0.702 176.842 176.117 0.039 0.000 0.984 214 I CA -0.261 61.057 61.300 0.031 0.000 1.204 214 I CB 1.640 39.739 38.000 0.164 0.000 1.362 214 I HN -0.147 nan 8.210 nan 0.000 0.471 215 D N 3.276 123.723 120.400 0.079 0.000 2.392 215 D HA 0.261 4.902 4.640 0.001 0.000 0.206 215 D C 0.196 176.626 176.300 0.217 0.000 1.046 215 D CA 0.647 54.714 54.000 0.110 0.000 0.865 215 D CB 1.694 42.515 40.800 0.035 0.000 0.969 215 D HN 0.307 nan 8.370 nan 0.000 0.509 216 L N 0.356 121.687 121.223 0.179 0.000 2.545 216 L HA 0.374 4.715 4.340 0.001 0.000 0.258 216 L C -2.079 174.836 176.870 0.076 0.000 0.942 216 L CA -0.550 54.354 54.840 0.107 0.000 0.855 216 L CB 2.218 44.327 42.059 0.084 0.000 1.374 216 L HN -0.269 nan 8.230 nan 0.000 0.411 217 L N 4.685 125.914 121.223 0.011 0.000 2.415 217 L HA 0.406 4.747 4.340 0.001 0.000 0.268 217 L C -1.711 175.197 176.870 0.063 0.000 0.984 217 L CA -0.411 54.453 54.840 0.039 0.000 0.853 217 L CB 1.842 43.878 42.059 -0.038 0.000 1.215 217 L HN 0.548 nan 8.230 nan 0.000 0.419 218 Y N 3.145 123.439 120.300 -0.009 0.000 2.328 218 Y HA 0.759 5.310 4.550 0.003 0.000 0.333 218 Y C 0.264 176.193 175.900 0.048 0.000 0.958 218 Y CA -0.120 57.956 58.100 -0.040 0.000 1.167 218 Y CB 1.736 40.097 38.460 -0.166 0.000 1.151 218 Y HN 0.585 nan 8.280 nan 0.000 0.470 219 G N 4.295 113.100 108.800 0.009 0.000 2.340 219 G HA2 0.052 4.013 3.960 0.001 0.000 0.299 219 G HA3 0.052 4.013 3.960 0.001 0.000 0.299 219 G C -1.646 173.216 174.900 -0.063 0.000 1.291 219 G CA -1.208 43.971 45.100 0.131 0.000 0.841 219 G HN 0.504 nan 8.290 nan 0.000 0.500 220 N N -0.119 118.567 118.700 -0.024 0.000 2.347 220 N HA 0.119 4.860 4.740 0.001 0.000 0.253 220 N C 1.158 176.561 175.510 -0.178 0.000 1.274 220 N CA -0.029 52.963 53.050 -0.096 0.000 0.941 220 N CB 1.101 39.559 38.487 -0.049 0.000 1.200 220 N HN 0.677 nan 8.380 nan 0.000 0.514 221 E N 0.450 120.530 120.200 -0.199 0.000 2.219 221 E HA -0.148 4.202 4.350 0.001 0.000 0.198 221 E C 1.482 177.947 176.600 -0.226 0.000 0.998 221 E CA 0.956 57.204 56.400 -0.252 0.000 0.818 221 E CB -0.158 29.414 29.700 -0.213 0.000 0.741 221 E HN 0.720 nan 8.360 nan 0.000 0.477 222 G N 0.841 109.528 108.800 -0.188 0.000 2.744 222 G HA2 -0.169 3.791 3.960 0.001 0.000 0.211 222 G HA3 -0.169 3.791 3.960 0.001 0.000 0.211 222 G C 1.400 176.187 174.900 -0.187 0.000 1.143 222 G CA -0.084 44.904 45.100 -0.186 0.000 0.788 222 G HN 0.152 nan 8.290 nan 0.000 0.534 223 L N 0.114 121.220 121.223 -0.195 0.000 2.197 223 L HA 0.056 4.397 4.340 0.001 0.000 0.215 223 L C 0.467 177.248 176.870 -0.148 0.000 1.095 223 L CA 1.335 56.066 54.840 -0.182 0.000 0.764 223 L CB -0.207 41.762 42.059 -0.151 0.000 0.897 223 L HN 0.267 nan 8.230 nan 0.000 0.436 224 L N -5.223 115.906 121.223 -0.158 0.000 2.545 224 L HA 0.578 4.919 4.340 0.001 0.000 0.258 224 L C -2.872 173.917 176.870 -0.135 0.000 0.942 224 L CA -1.959 52.804 54.840 -0.127 0.000 0.855 224 L CB 0.309 42.307 42.059 -0.103 0.000 1.374 224 L HN -0.299 nan 8.230 nan 0.000 0.411 225 P HA -0.071 nan 4.420 nan 0.000 0.259 225 P C 0.660 177.921 177.300 -0.064 0.000 1.155 225 P CA -0.001 63.052 63.100 -0.078 0.000 0.759 225 P CB 0.656 32.310 31.700 -0.078 0.000 0.753 226 L N 3.029 124.282 121.223 0.049 0.000 2.201 226 L HA -0.133 4.208 4.340 0.001 0.000 0.212 226 L C 2.146 179.001 176.870 -0.025 0.000 1.105 226 L CA 1.975 56.898 54.840 0.139 0.000 0.775 226 L CB -1.353 40.884 42.059 0.297 0.000 0.913 226 L HN 0.480 nan 8.230 nan 0.000 0.440 227 D N -1.718 118.437 120.400 -0.407 0.000 2.149 227 D HA -0.143 4.498 4.640 0.001 0.000 0.201 227 D C 1.707 177.744 176.300 -0.438 0.000 0.972 227 D CA 1.238 54.675 54.000 -0.939 0.000 0.835 227 D CB -0.438 39.690 40.800 -1.119 0.000 0.966 227 D HN 0.184 nan 8.370 nan 0.000 0.476 228 T N 0.506 114.858 114.554 -0.336 0.000 2.746 228 T HA -0.115 4.236 4.350 0.001 0.000 0.267 228 T C 1.522 175.866 174.700 -0.594 0.000 1.039 228 T CA 0.808 62.648 62.100 -0.434 0.000 1.142 228 T CB -0.594 67.982 68.868 -0.487 0.000 0.866 228 T HN 0.121 nan 8.240 nan 0.000 0.444 229 F N 2.339 121.962 119.950 -0.545 0.000 2.134 229 F HA -0.004 4.523 4.527 0.000 0.000 0.299 229 F C 2.426 178.139 175.800 -0.145 0.000 1.097 229 F CA 0.855 58.634 58.000 -0.368 0.000 1.264 229 F CB -0.638 38.233 39.000 -0.215 0.000 1.001 229 F HN 0.146 nan 8.300 nan 0.000 0.479 230 A N 0.163 122.876 122.820 -0.179 0.000 2.015 230 A HA -0.165 4.156 4.320 0.001 0.000 0.219 230 A C 2.362 179.840 177.584 -0.177 0.000 1.163 230 A CA 1.491 53.409 52.037 -0.198 0.000 0.646 230 A CB -0.774 18.148 19.000 -0.129 0.000 0.806 230 A HN 0.470 nan 8.150 nan 0.000 0.448 231 R N -1.856 118.558 120.500 -0.144 0.000 2.153 231 R HA -0.020 4.321 4.340 0.001 0.000 0.218 231 R C 1.416 177.797 176.300 0.134 0.000 1.072 231 R CA 0.872 56.954 56.100 -0.029 0.000 0.990 231 R CB -0.237 30.053 30.300 -0.016 0.000 0.889 231 R HN 0.403 nan 8.270 nan 0.000 0.452 232 F N 0.873 120.749 119.950 -0.124 0.000 2.163 232 F HA -0.072 4.455 4.527 0.002 0.000 0.297 232 F C 2.538 178.249 175.800 -0.149 0.000 1.094 232 F CA 1.403 59.389 58.000 -0.023 0.000 1.290 232 F CB -0.864 38.111 39.000 -0.042 0.000 1.017 232 F HN 0.091 nan 8.300 nan 0.000 0.483 233 S N -0.744 114.851 115.700 -0.174 0.000 2.603 233 S HA -0.110 4.361 4.470 0.001 0.000 0.229 233 S C 1.354 175.882 174.600 -0.120 0.000 0.972 233 S CA 0.547 58.607 58.200 -0.234 0.000 0.935 233 S CB -0.492 62.460 63.200 -0.413 0.000 0.769 233 S HN 0.545 nan 8.310 nan 0.000 0.536 234 Q N 0.552 120.299 119.800 -0.088 0.000 2.352 234 Q HA 0.252 4.593 4.340 0.001 0.000 0.212 234 Q C -0.037 175.910 176.000 -0.088 0.000 0.888 234 Q CA -0.249 55.510 55.803 -0.074 0.000 0.934 234 Q CB 0.068 28.767 28.738 -0.065 0.000 1.093 234 Q HN 0.412 nan 8.270 nan 0.000 0.523 235 N N 2.719 121.346 118.700 -0.123 0.000 2.401 235 N HA 0.038 4.779 4.740 0.001 0.000 0.255 235 N C -1.707 173.674 175.510 -0.216 0.000 1.110 235 N CA -1.629 51.272 53.050 -0.248 0.000 0.949 235 N CB 1.188 39.355 38.487 -0.534 0.000 1.110 235 N HN -0.014 nan 8.380 nan 0.000 0.490 236 P HA -0.100 nan 4.420 nan 0.000 0.222 236 P C 0.701 177.952 177.300 -0.082 0.000 1.147 236 P CA 0.715 63.762 63.100 -0.088 0.000 0.790 236 P CB 0.277 31.934 31.700 -0.071 0.000 0.780 237 A N -1.567 121.141 122.820 -0.187 0.000 2.014 237 A HA -0.047 4.274 4.320 0.001 0.000 0.218 237 A C 0.828 178.500 177.584 0.146 0.000 1.163 237 A CA 0.870 52.853 52.037 -0.089 0.000 0.652 237 A CB -0.833 18.058 19.000 -0.182 0.000 0.808 237 A HN 0.094 nan 8.150 nan 0.000 0.449 238 Y N -1.707 118.601 120.300 0.013 0.000 2.545 238 Y HA 0.622 5.173 4.550 0.001 0.000 0.324 238 Y C 0.206 176.167 175.900 0.102 0.000 1.220 238 Y CA -2.069 56.075 58.100 0.072 0.000 1.290 238 Y CB 0.122 38.603 38.460 0.035 0.000 1.355 238 Y HN 0.296 nan 8.280 nan 0.000 0.516 239 H N -0.223 118.970 119.070 0.204 0.000 2.609 239 H HA 0.616 5.173 4.556 0.002 0.000 0.344 239 H C -1.137 174.225 175.328 0.057 0.000 1.040 239 H CA -0.704 55.400 56.048 0.093 0.000 1.216 239 H CB 1.240 31.044 29.762 0.070 0.000 1.529 239 H HN 0.699 nan 8.280 nan 0.000 0.519 240 T N 2.357 116.591 114.554 -0.534 0.000 2.916 240 T HA 0.651 5.001 4.350 0.001 0.000 0.292 240 T C -0.678 173.789 174.700 -0.389 0.000 1.055 240 T CA -1.090 60.786 62.100 -0.373 0.000 1.009 240 T CB 2.208 70.873 68.868 -0.339 0.000 1.118 240 T HN 0.647 nan 8.240 nan 0.000 0.497 241 Q N 0.732 120.507 119.800 -0.041 0.000 2.309 241 Q HA 0.529 4.869 4.340 0.001 0.000 0.273 241 Q C -1.896 174.228 176.000 0.207 0.000 1.040 241 Q CA -0.927 54.916 55.803 0.067 0.000 0.834 241 Q CB 2.900 31.673 28.738 0.059 0.000 1.345 241 Q HN 0.514 nan 8.270 nan 0.000 0.414 242 L N 3.060 124.387 121.223 0.174 0.000 2.427 242 L HA 0.382 4.723 4.340 0.001 0.000 0.264 242 L C 0.045 176.920 176.870 0.009 0.000 0.989 242 L CA -0.035 54.855 54.840 0.082 0.000 0.865 242 L CB 1.459 43.611 42.059 0.155 0.000 1.209 242 L HN 0.908 nan 8.230 nan 0.000 0.430 243 S N 4.227 119.852 115.700 -0.125 0.000 2.641 243 S HA 0.223 4.694 4.470 0.001 0.000 0.251 243 S C 0.221 174.707 174.600 -0.191 0.000 1.332 243 S CA -0.191 57.825 58.200 -0.307 0.000 0.968 243 S CB 0.767 63.450 63.200 -0.862 0.000 0.987 243 S HN 0.709 nan 8.310 nan 0.000 0.587 244 Q N 0.930 120.610 119.800 -0.199 0.000 2.312 244 Q HA 0.351 4.692 4.340 0.001 0.000 0.236 244 Q C -2.391 173.534 176.000 -0.124 0.000 0.965 244 Q CA -2.065 53.668 55.803 -0.118 0.000 0.894 244 Q CB 0.237 28.919 28.738 -0.093 0.000 1.225 244 Q HN 0.465 nan 8.270 nan 0.000 0.478 245 P HA -0.121 nan 4.420 nan 0.000 0.261 245 P C -0.198 177.062 177.300 -0.067 0.000 1.173 245 P CA 0.914 63.984 63.100 -0.050 0.000 0.760 245 P CB 0.202 31.896 31.700 -0.009 0.000 0.783 246 I N 1.048 121.588 120.570 -0.050 0.000 4.035 246 I HA 0.340 4.511 4.170 0.001 0.000 0.321 246 I C 0.510 176.633 176.117 0.010 0.000 1.289 246 I CA 0.166 61.449 61.300 -0.029 0.000 1.236 246 I CB 0.117 38.098 38.000 -0.032 0.000 1.076 246 I HN 0.284 nan 8.210 nan 0.000 0.418 247 E N 1.473 121.684 120.200 0.019 0.000 2.403 247 E HA 0.223 4.573 4.350 0.001 0.000 0.280 247 E C -1.145 175.487 176.600 0.054 0.000 1.101 247 E CA -0.711 55.703 56.400 0.022 0.000 0.856 247 E CB 1.353 31.055 29.700 0.004 0.000 1.303 247 E HN 0.036 nan 8.360 nan 0.000 0.441 248 T N -0.836 113.720 114.554 0.003 0.000 2.907 248 T HA 0.517 4.868 4.350 0.001 0.000 0.284 248 T C -0.538 174.064 174.700 -0.162 0.000 1.004 248 T CA -0.495 61.588 62.100 -0.028 0.000 1.063 248 T CB 1.453 70.302 68.868 -0.031 0.000 0.992 248 T HN 0.520 nan 8.240 nan 0.000 0.483 249 V N 6.705 126.528 119.914 -0.152 0.000 2.513 249 V HA 0.857 4.978 4.120 0.001 0.000 0.299 249 V C -0.511 175.522 176.094 -0.102 0.000 1.035 249 V CA -0.775 61.468 62.300 -0.094 0.000 0.889 249 V CB 1.110 32.915 31.823 -0.029 0.000 0.988 249 V HN 1.202 nan 8.190 nan 0.000 0.440 250 M N 5.924 125.490 119.600 -0.056 0.000 3.084 250 M HA 0.537 5.018 4.480 0.001 0.000 0.273 250 M C -2.440 173.809 176.300 -0.086 0.000 1.242 250 M CA -0.822 54.430 55.300 -0.080 0.000 0.819 250 M CB 2.038 34.564 32.600 -0.123 0.000 1.625 250 M HN 0.441 nan 8.290 nan 0.000 0.493 251 L N 1.857 122.991 121.223 -0.147 0.000 2.309 251 L HA 0.771 5.112 4.340 0.001 0.000 0.282 251 L C 0.089 176.988 176.870 0.048 0.000 1.036 251 L CA -0.854 53.858 54.840 -0.214 0.000 0.806 251 L CB 1.692 43.561 42.059 -0.316 0.000 1.220 251 L HN 0.901 nan 8.230 nan 0.000 0.429 252 A N 4.255 127.120 122.820 0.074 0.000 2.252 252 A HA 0.583 4.904 4.320 0.001 0.000 0.309 252 A C -0.632 177.001 177.584 0.082 0.000 1.285 252 A CA -0.513 51.639 52.037 0.191 0.000 0.900 252 A CB 0.298 19.365 19.000 0.112 0.000 1.157 252 A HN 0.484 nan 8.150 nan 0.000 0.536 253 L N 2.799 124.028 121.223 0.009 0.000 2.283 253 L HA 0.187 4.528 4.340 0.001 0.000 0.287 253 L C 0.837 177.721 176.870 0.024 0.000 1.073 253 L CA 0.134 54.979 54.840 0.008 0.000 0.822 253 L CB 0.295 42.308 42.059 -0.076 0.000 1.186 253 L HN 0.802 nan 8.230 nan 0.000 0.436 254 N N 1.192 119.954 118.700 0.104 0.000 2.406 254 N HA -0.047 4.694 4.740 0.001 0.000 0.274 254 N C 0.983 176.415 175.510 -0.130 0.000 1.249 254 N CA 0.126 53.124 53.050 -0.087 0.000 0.951 254 N CB 0.594 38.862 38.487 -0.365 0.000 1.241 254 N HN 0.779 nan 8.380 nan 0.000 0.485 255 T N 0.219 114.692 114.554 -0.135 0.000 3.035 255 T HA -0.016 4.334 4.350 0.001 0.000 0.268 255 T C 1.685 176.310 174.700 -0.124 0.000 1.109 255 T CA 0.582 62.609 62.100 -0.122 0.000 1.119 255 T CB 0.070 68.863 68.868 -0.125 0.000 0.900 255 T HN 0.450 nan 8.240 nan 0.000 0.503 256 A N 1.553 124.277 122.820 -0.160 0.000 1.872 256 A HA 0.206 4.527 4.320 0.001 0.000 0.214 256 A C 1.416 178.920 177.584 -0.134 0.000 1.187 256 A CA 0.616 52.562 52.037 -0.151 0.000 0.614 256 A CB -0.271 18.618 19.000 -0.184 0.000 0.826 256 A HN 0.497 nan 8.150 nan 0.000 0.442 257 K N -0.641 119.658 120.400 -0.169 0.000 2.107 257 K HA 0.553 4.874 4.320 0.001 0.000 0.251 257 K C -0.224 176.325 176.600 -0.085 0.000 1.012 257 K CA 0.017 56.223 56.287 -0.136 0.000 0.920 257 K CB 0.972 33.359 32.500 -0.189 0.000 1.033 257 K HN 0.342 nan 8.250 nan 0.000 0.478 258 A N 1.725 124.518 122.820 -0.044 0.000 2.299 258 A HA 0.456 4.777 4.320 0.001 0.000 0.332 258 A C -2.034 175.545 177.584 -0.008 0.000 1.131 258 A CA -1.331 50.707 52.037 0.002 0.000 0.844 258 A CB 0.603 19.637 19.000 0.056 0.000 1.251 258 A HN 0.719 nan 8.150 nan 0.000 0.486 259 P HA 0.009 nan 4.420 nan 0.000 0.253 259 P C 0.716 177.984 177.300 -0.053 0.000 1.260 259 P CA 0.985 64.090 63.100 0.008 0.000 0.800 259 P CB -0.157 31.419 31.700 -0.207 0.000 1.162 260 T N -2.609 111.904 114.554 -0.068 0.000 3.148 260 T HA -0.055 4.296 4.350 0.001 0.000 0.253 260 T C 1.391 176.055 174.700 -0.060 0.000 1.134 260 T CA 0.252 62.307 62.100 -0.075 0.000 1.051 260 T CB -0.893 67.932 68.868 -0.072 0.000 0.959 260 T HN 0.133 nan 8.240 nan 0.000 0.525 261 N N 1.366 120.043 118.700 -0.038 0.000 2.521 261 N HA -0.039 4.702 4.740 0.001 0.000 0.188 261 N C 0.097 175.598 175.510 -0.015 0.000 1.146 261 N CA 0.131 53.158 53.050 -0.039 0.000 0.893 261 N CB -0.181 38.286 38.487 -0.034 0.000 0.975 261 N HN 0.543 nan 8.380 nan 0.000 0.451 262 E N 0.191 120.397 120.200 0.009 0.000 2.197 262 E HA 0.099 4.450 4.350 0.001 0.000 0.281 262 E C 0.504 177.105 176.600 0.002 0.000 0.995 262 E CA -0.601 55.820 56.400 0.034 0.000 0.808 262 E CB 1.893 31.660 29.700 0.112 0.000 1.093 262 E HN -0.008 nan 8.360 nan 0.000 0.394 263 L N 4.091 125.314 121.223 -0.000 0.000 2.131 263 L HA -0.156 4.184 4.340 0.001 0.000 0.210 263 L C 1.884 178.752 176.870 -0.004 0.000 1.092 263 L CA 2.088 56.918 54.840 -0.016 0.000 0.759 263 L CB -0.472 41.581 42.059 -0.011 0.000 0.903 263 L HN 0.717 nan 8.230 nan 0.000 0.435 264 A N -1.060 121.776 122.820 0.026 0.000 1.845 264 A HA -0.157 4.164 4.320 0.001 0.000 0.215 264 A C 2.233 179.824 177.584 0.012 0.000 1.195 264 A CA 2.104 54.167 52.037 0.042 0.000 0.616 264 A CB -1.185 17.868 19.000 0.088 0.000 0.832 264 A HN 0.249 nan 8.150 nan 0.000 0.443 265 V N 0.364 120.269 119.914 -0.016 0.000 2.324 265 V HA -0.315 3.806 4.120 0.001 0.000 0.250 265 V C 2.679 178.718 176.094 -0.092 0.000 1.060 265 V CA 2.371 64.605 62.300 -0.110 0.000 1.042 265 V CB -0.934 30.778 31.823 -0.184 0.000 0.650 265 V HN 0.504 nan 8.190 nan 0.000 0.450 266 R N -0.375 120.082 120.500 -0.072 0.000 2.075 266 R HA -0.136 4.205 4.340 0.001 0.000 0.232 266 R C 2.347 178.597 176.300 -0.082 0.000 1.126 266 R CA 1.517 57.567 56.100 -0.083 0.000 0.963 266 R CB -0.285 29.962 30.300 -0.089 0.000 0.858 266 R HN 0.613 nan 8.270 nan 0.000 0.435 267 E N 0.685 120.851 120.200 -0.057 0.000 2.031 267 E HA -0.159 4.191 4.350 0.001 0.000 0.193 267 E C 2.063 178.670 176.600 0.011 0.000 0.994 267 E CA 1.202 57.568 56.400 -0.056 0.000 0.800 267 E CB -0.114 29.598 29.700 0.021 0.000 0.752 267 E HN 0.326 nan 8.360 nan 0.000 0.447 268 A N 0.826 123.692 122.820 0.077 0.000 1.978 268 A HA -0.177 4.144 4.320 0.001 0.000 0.220 268 A C 2.075 179.689 177.584 0.050 0.000 1.170 268 A CA 0.986 53.095 52.037 0.119 0.000 0.636 268 A CB -0.432 18.593 19.000 0.042 0.000 0.810 268 A HN 0.159 nan 8.150 nan 0.000 0.448 269 L N 0.302 121.511 121.223 -0.023 0.000 2.191 269 L HA -0.126 4.215 4.340 0.001 0.000 0.212 269 L C 2.055 178.900 176.870 -0.042 0.000 1.103 269 L CA 1.493 56.306 54.840 -0.044 0.000 0.769 269 L CB -0.584 41.429 42.059 -0.076 0.000 0.908 269 L HN 0.415 nan 8.230 nan 0.000 0.438 270 N N -1.804 116.844 118.700 -0.087 0.000 2.250 270 N HA -0.143 4.598 4.740 0.001 0.000 0.181 270 N C 1.545 177.003 175.510 -0.088 0.000 1.017 270 N CA 0.977 53.944 53.050 -0.138 0.000 0.866 270 N CB -0.033 38.294 38.487 -0.267 0.000 0.985 270 N HN 0.335 nan 8.380 nan 0.000 0.429 271 Y N 1.011 121.297 120.300 -0.023 0.000 2.561 271 Y HA 0.124 4.674 4.550 0.000 0.000 0.291 271 Y C 2.131 178.001 175.900 -0.050 0.000 1.141 271 Y CA 0.130 58.209 58.100 -0.036 0.000 1.303 271 Y CB -0.199 38.217 38.460 -0.074 0.000 1.015 271 Y HN 0.042 nan 8.280 nan 0.000 0.547 272 A N -0.668 122.228 122.820 0.125 0.000 2.132 272 A HA 0.177 4.498 4.320 0.001 0.000 0.213 272 A C 0.727 178.447 177.584 0.227 0.000 1.154 272 A CA 0.143 52.240 52.037 0.101 0.000 0.753 272 A CB -0.346 18.684 19.000 0.049 0.000 0.826 272 A HN 0.021 nan 8.150 nan 0.000 0.469 273 V N 2.192 122.229 119.914 0.205 0.000 2.461 273 V HA 0.106 4.227 4.120 0.001 0.000 0.275 273 V C 0.159 176.384 176.094 0.218 0.000 1.047 273 V CA -0.672 61.725 62.300 0.162 0.000 0.955 273 V CB 1.049 32.902 31.823 0.051 0.000 0.988 273 V HN 0.485 nan 8.190 nan 0.000 0.471 274 N N 4.819 123.508 118.700 -0.020 0.000 2.663 274 N HA 0.132 4.873 4.740 0.001 0.000 0.250 274 N C 1.088 176.462 175.510 -0.228 0.000 1.129 274 N CA -0.013 52.753 53.050 -0.473 0.000 0.995 274 N CB 0.511 38.528 38.487 -0.784 0.000 1.324 274 N HN 0.600 nan 8.380 nan 0.000 0.512 275 K N 1.442 121.773 120.400 -0.115 0.000 2.020 275 K HA -0.176 4.145 4.320 0.001 0.000 0.212 275 K C 1.684 178.215 176.600 -0.114 0.000 1.050 275 K CA 1.188 57.421 56.287 -0.090 0.000 0.929 275 K CB 0.133 32.602 32.500 -0.050 0.000 0.714 275 K HN 0.259 nan 8.250 nan 0.000 0.443 276 K N 0.898 121.228 120.400 -0.117 0.000 1.978 276 K HA -0.144 4.177 4.320 0.001 0.000 0.214 276 K C 2.337 178.859 176.600 -0.130 0.000 1.049 276 K CA 1.617 57.841 56.287 -0.105 0.000 0.939 276 K CB -0.762 31.686 32.500 -0.086 0.000 0.721 276 K HN 0.079 nan 8.250 nan 0.000 0.441 277 S N 1.136 116.735 115.700 -0.168 0.000 2.381 277 S HA -0.199 4.271 4.470 0.001 0.000 0.230 277 S C 2.137 176.640 174.600 -0.161 0.000 1.052 277 S CA 1.711 59.812 58.200 -0.166 0.000 1.068 277 S CB -0.400 62.675 63.200 -0.210 0.000 0.918 277 S HN 0.386 nan 8.310 nan 0.000 0.448 278 L N 0.451 121.578 121.223 -0.160 0.000 1.989 278 L HA -0.081 4.259 4.340 0.001 0.000 0.211 278 L C 2.365 179.133 176.870 -0.171 0.000 1.071 278 L CA 1.985 56.736 54.840 -0.148 0.000 0.749 278 L CB -0.341 41.649 42.059 -0.115 0.000 0.890 278 L HN 0.435 nan 8.230 nan 0.000 0.431 279 I N -0.366 120.114 120.570 -0.150 0.000 2.394 279 I HA -0.281 3.890 4.170 0.001 0.000 0.251 279 I C 1.881 177.889 176.117 -0.182 0.000 1.136 279 I CA 0.981 62.190 61.300 -0.151 0.000 1.425 279 I CB -0.430 37.506 38.000 -0.108 0.000 1.079 279 I HN 0.301 nan 8.210 nan 0.000 0.425 280 D N 0.880 121.182 120.400 -0.163 0.000 2.149 280 D HA -0.081 4.560 4.640 0.001 0.000 0.198 280 D C 0.868 176.984 176.300 -0.306 0.000 0.990 280 D CA 0.960 54.868 54.000 -0.153 0.000 0.839 280 D CB -0.144 40.592 40.800 -0.106 0.000 0.948 280 D HN 0.350 nan 8.370 nan 0.000 0.460 281 N N -1.081 117.389 118.700 -0.384 0.000 2.478 281 N HA 0.335 5.075 4.740 0.001 0.000 0.275 281 N C 1.015 176.102 175.510 -0.705 0.000 1.221 281 N CA 0.286 52.960 53.050 -0.627 0.000 0.979 281 N CB 1.900 40.182 38.487 -0.341 0.000 1.202 281 N HN -0.008 nan 8.380 nan 0.000 0.564 282 A N -0.104 122.246 122.820 -0.785 0.000 2.072 282 A HA -0.226 4.095 4.320 0.001 0.000 0.230 282 A C 0.899 178.287 177.584 -0.327 0.000 0.398 282 A CA 1.670 53.450 52.037 -0.429 0.000 1.102 282 A CB -1.335 17.501 19.000 -0.274 0.000 1.440 282 A HN 0.499 nan 8.150 nan 0.000 0.705 283 L N -2.375 118.647 121.223 -0.335 0.000 2.808 283 L HA 0.239 4.580 4.340 0.001 0.000 0.246 283 L C 0.237 177.084 176.870 -0.038 0.000 1.153 283 L CA 0.442 55.205 54.840 -0.129 0.000 0.956 283 L CB -0.948 41.042 42.059 -0.114 0.000 1.270 283 L HN 0.610 nan 8.230 nan 0.000 0.528 284 Y N 1.317 121.593 120.300 -0.039 0.000 2.953 284 Y HA -0.217 4.330 4.550 -0.004 0.000 0.216 284 Y C 1.760 177.651 175.900 -0.014 0.000 1.125 284 Y CA 0.836 58.921 58.100 -0.025 0.000 0.882 284 Y CB -2.032 36.419 38.460 -0.015 0.000 1.148 284 Y HN 0.495 nan 8.280 nan 0.000 0.479 285 G N -1.256 107.557 108.800 0.021 0.000 2.180 285 G HA2 -0.410 3.551 3.960 0.001 0.000 0.263 285 G HA3 -0.410 3.551 3.960 0.001 0.000 0.263 285 G C 1.018 175.940 174.900 0.038 0.000 0.989 285 G CA 0.961 46.074 45.100 0.021 0.000 0.692 285 G HN 0.532 nan 8.290 nan 0.000 0.526 286 T N 0.019 114.606 114.554 0.055 0.000 2.857 286 T HA 0.061 4.411 4.350 0.001 0.000 0.266 286 T C 1.433 176.149 174.700 0.026 0.000 1.048 286 T CA 1.608 63.743 62.100 0.059 0.000 1.139 286 T CB 0.028 68.948 68.868 0.086 0.000 0.874 286 T HN 0.478 nan 8.240 nan 0.000 0.455 287 Q N 1.114 120.916 119.800 0.003 0.000 2.286 287 Q HA 0.408 4.749 4.340 0.001 0.000 0.250 287 Q C -0.060 175.942 176.000 0.004 0.000 1.021 287 Q CA -0.663 55.140 55.803 -0.000 0.000 0.930 287 Q CB 0.665 29.389 28.738 -0.023 0.000 1.266 287 Q HN 0.392 nan 8.270 nan 0.000 0.491 288 Q N -0.708 119.109 119.800 0.029 0.000 2.348 288 Q HA 0.485 4.826 4.340 0.001 0.000 0.271 288 Q C -0.596 175.398 176.000 -0.010 0.000 1.067 288 Q CA -0.890 54.936 55.803 0.038 0.000 0.839 288 Q CB 1.175 29.972 28.738 0.098 0.000 1.354 288 Q HN 0.283 nan 8.270 nan 0.000 0.447 289 V N 1.374 121.271 119.914 -0.028 0.000 2.585 289 V HA 0.294 4.415 4.120 0.001 0.000 0.296 289 V C 0.265 176.262 176.094 -0.161 0.000 1.035 289 V CA 0.223 62.467 62.300 -0.092 0.000 1.084 289 V CB 0.588 32.384 31.823 -0.044 0.000 0.953 289 V HN 0.858 nan 8.190 nan 0.000 0.483 290 A N 3.607 126.199 122.820 -0.380 0.000 2.274 290 A HA 0.536 4.856 4.320 0.001 0.000 0.309 290 A C 0.392 177.858 177.584 -0.197 0.000 1.226 290 A CA -0.540 51.124 52.037 -0.621 0.000 0.853 290 A CB 0.344 18.665 19.000 -1.132 0.000 1.146 290 A HN 0.841 nan 8.150 nan 0.000 0.518 291 D N 0.861 121.257 120.400 -0.007 0.000 2.407 291 D HA 0.111 4.752 4.640 0.001 0.000 0.208 291 D C 0.436 176.806 176.300 0.117 0.000 1.083 291 D CA 1.371 55.405 54.000 0.058 0.000 0.844 291 D CB 0.718 41.569 40.800 0.084 0.000 0.967 291 D HN 0.700 nan 8.370 nan 0.000 0.506 292 T N -2.387 112.236 114.554 0.115 0.000 2.843 292 T HA 0.251 4.601 4.350 0.001 0.000 0.302 292 T C 0.849 175.587 174.700 0.065 0.000 1.232 292 T CA -0.767 61.409 62.100 0.127 0.000 1.009 292 T CB 1.903 70.803 68.868 0.052 0.000 1.254 292 T HN -0.185 nan 8.240 nan 0.000 0.504 293 L N 0.281 121.505 121.223 0.001 0.000 2.021 293 L HA 0.196 4.537 4.340 0.001 0.000 0.215 293 L C -0.005 176.604 176.870 -0.436 0.000 1.074 293 L CA 1.806 56.453 54.840 -0.321 0.000 0.760 293 L CB -0.768 41.081 42.059 -0.350 0.000 0.889 293 L HN 0.697 nan 8.230 nan 0.000 0.433 294 F N -0.887 119.043 119.950 -0.033 0.000 2.507 294 F HA 0.622 5.150 4.527 0.001 0.000 0.327 294 F C 0.739 176.526 175.800 -0.021 0.000 1.068 294 F CA -0.789 57.178 58.000 -0.056 0.000 0.965 294 F CB 0.835 39.770 39.000 -0.108 0.000 1.192 294 F HN -0.049 nan 8.300 nan 0.000 0.476 295 A N 3.316 126.138 122.820 0.004 0.000 2.445 295 A HA 0.252 4.573 4.320 0.001 0.000 0.242 295 A C -1.656 175.805 177.584 -0.206 0.000 1.075 295 A CA -1.074 50.648 52.037 -0.525 0.000 0.777 295 A CB -0.276 18.197 19.000 -0.878 0.000 1.013 295 A HN 0.577 nan 8.150 nan 0.000 0.493 296 P HA -0.104 nan 4.420 nan 0.000 0.234 296 P C 1.023 178.243 177.300 -0.134 0.000 1.167 296 P CA 1.519 64.557 63.100 -0.104 0.000 0.763 296 P CB 0.006 31.665 31.700 -0.067 0.000 0.835 297 S N -1.779 113.812 115.700 -0.182 0.000 2.593 297 S HA 0.074 4.545 4.470 0.001 0.000 0.217 297 S C 0.833 175.333 174.600 -0.167 0.000 0.966 297 S CA -0.287 57.816 58.200 -0.162 0.000 0.914 297 S CB -0.887 62.215 63.200 -0.164 0.000 0.776 297 S HN -0.134 nan 8.310 nan 0.000 0.523 298 V N 3.593 123.401 119.914 -0.178 0.000 2.686 298 V HA 0.297 4.418 4.120 0.001 0.000 0.295 298 V C -2.229 173.705 176.094 -0.267 0.000 1.055 298 V CA -1.887 60.290 62.300 -0.204 0.000 1.050 298 V CB 0.585 32.278 31.823 -0.217 0.000 0.984 298 V HN 0.224 nan 8.190 nan 0.000 0.482 299 P HA 0.075 nan 4.420 nan 0.000 0.264 299 P C -0.506 176.488 177.300 -0.510 0.000 1.193 299 P CA 0.546 63.353 63.100 -0.488 0.000 0.763 299 P CB -0.053 31.372 31.700 -0.458 0.000 0.810 300 Y N 0.858 120.990 120.300 -0.280 0.000 4.916 300 Y HA -0.290 4.261 4.550 0.001 0.000 0.247 300 Y C 1.370 177.135 175.900 -0.225 0.000 0.962 300 Y CA 1.003 58.929 58.100 -0.290 0.000 1.933 300 Y CB -2.649 35.427 38.460 -0.640 0.000 1.451 300 Y HN 0.464 nan 8.280 nan 0.000 0.539 301 A N -0.473 122.267 122.820 -0.133 0.000 2.465 301 A HA 0.337 4.658 4.320 0.001 0.000 0.255 301 A C 0.668 178.229 177.584 -0.038 0.000 1.274 301 A CA 0.191 52.187 52.037 -0.068 0.000 0.920 301 A CB -0.141 18.801 19.000 -0.096 0.000 1.033 301 A HN 0.327 nan 8.150 nan 0.000 0.516 302 N N 0.846 119.514 118.700 -0.053 0.000 2.807 302 N HA 0.374 5.115 4.740 0.001 0.000 0.259 302 N C 0.408 175.910 175.510 -0.014 0.000 1.149 302 N CA 0.007 53.032 53.050 -0.041 0.000 1.042 302 N CB -0.083 38.371 38.487 -0.055 0.000 1.367 302 N HN 0.348 nan 8.380 nan 0.000 0.516 303 L N 0.897 122.115 121.223 -0.009 0.000 2.731 303 L HA 0.387 4.728 4.340 0.001 0.000 0.240 303 L C 1.395 178.261 176.870 -0.008 0.000 1.120 303 L CA 0.005 54.846 54.840 0.003 0.000 0.913 303 L CB 0.154 42.223 42.059 0.017 0.000 1.213 303 L HN 0.601 nan 8.230 nan 0.000 0.515 304 G N 1.259 110.047 108.800 -0.019 0.000 2.143 304 G HA2 -0.273 3.688 3.960 0.001 0.000 0.248 304 G HA3 -0.273 3.688 3.960 0.001 0.000 0.248 304 G C 0.287 175.171 174.900 -0.026 0.000 0.991 304 G CA -0.171 44.921 45.100 -0.013 0.000 0.689 304 G HN 0.213 nan 8.290 nan 0.000 0.522 305 L N -0.030 121.140 121.223 -0.088 0.000 2.514 305 L HA 0.130 4.471 4.340 0.001 0.000 0.280 305 L C 1.342 178.162 176.870 -0.083 0.000 1.223 305 L CA 0.183 54.914 54.840 -0.183 0.000 0.864 305 L CB 0.448 42.161 42.059 -0.578 0.000 1.118 305 L HN 0.220 nan 8.230 nan 0.000 0.494 306 K N 4.513 124.955 120.400 0.070 0.000 2.402 306 K HA 0.162 4.483 4.320 0.001 0.000 0.285 306 K C -2.249 174.480 176.600 0.215 0.000 1.054 306 K CA -1.294 55.083 56.287 0.151 0.000 1.001 306 K CB 0.553 33.155 32.500 0.170 0.000 0.946 306 K HN 0.221 nan 8.250 nan 0.000 0.473 307 P HA 0.106 nan 4.420 nan 0.000 0.277 307 P C -1.245 176.110 177.300 0.092 0.000 1.240 307 P CA -0.491 62.681 63.100 0.119 0.000 0.798 307 P CB 1.206 32.958 31.700 0.086 0.000 0.979 308 S N 1.924 117.639 115.700 0.024 0.000 2.420 308 S HA 0.226 4.697 4.470 0.001 0.000 0.313 308 S C -0.136 174.509 174.600 0.076 0.000 1.079 308 S CA -0.618 57.530 58.200 -0.086 0.000 1.104 308 S CB 0.153 63.105 63.200 -0.413 0.000 0.969 308 S HN 0.307 nan 8.310 nan 0.000 0.471 309 Q N 2.121 122.075 119.800 0.255 0.000 2.332 309 Q HA 0.105 4.446 4.340 0.001 0.000 0.263 309 Q C -0.412 175.788 176.000 0.332 0.000 0.979 309 Q CA -0.179 55.776 55.803 0.253 0.000 0.885 309 Q CB 0.538 29.394 28.738 0.195 0.000 1.218 309 Q HN 0.740 nan 8.270 nan 0.000 0.405 310 Y N 3.209 123.590 120.300 0.135 0.000 2.729 310 Y HA -0.036 4.516 4.550 0.003 0.000 0.331 310 Y C -0.512 175.444 175.900 0.095 0.000 1.208 310 Y CA 0.510 58.678 58.100 0.113 0.000 1.521 310 Y CB 0.405 38.895 38.460 0.050 0.000 1.233 310 Y HN 0.415 nan 8.280 nan 0.000 0.539 311 D N 8.467 128.609 120.400 -0.430 0.000 2.351 311 D HA 0.219 4.860 4.640 0.001 0.000 0.235 311 D C -2.550 173.488 176.300 -0.437 0.000 1.331 311 D CA -1.731 51.992 54.000 -0.461 0.000 0.959 311 D CB 1.686 42.285 40.800 -0.335 0.000 1.432 311 D HN 0.293 nan 8.370 nan 0.000 0.544 312 P HA -0.121 nan 4.420 nan 0.000 0.220 312 P C 1.357 178.546 177.300 -0.185 0.000 1.148 312 P CA 0.689 63.619 63.100 -0.284 0.000 0.803 312 P CB 0.470 32.031 31.700 -0.232 0.000 0.782 313 Q N 0.696 120.379 119.800 -0.194 0.000 2.020 313 Q HA -0.207 4.134 4.340 0.001 0.000 0.202 313 Q C 2.138 178.046 176.000 -0.153 0.000 0.982 313 Q CA 1.858 57.576 55.803 -0.142 0.000 0.838 313 Q CB -0.564 28.096 28.738 -0.130 0.000 0.899 313 Q HN 0.176 nan 8.270 nan 0.000 0.423 314 K N -0.385 119.876 120.400 -0.231 0.000 2.026 314 K HA -0.109 4.212 4.320 0.001 0.000 0.208 314 K C 2.025 178.511 176.600 -0.190 0.000 1.048 314 K CA 1.223 57.347 56.287 -0.272 0.000 0.929 314 K CB -0.224 31.955 32.500 -0.536 0.000 0.713 314 K HN 0.174 nan 8.250 nan 0.000 0.439 315 A N 2.567 125.290 122.820 -0.162 0.000 1.859 315 A HA -0.253 4.068 4.320 0.001 0.000 0.217 315 A C 1.826 179.392 177.584 -0.030 0.000 1.198 315 A CA 2.397 54.414 52.037 -0.033 0.000 0.629 315 A CB -0.759 18.235 19.000 -0.010 0.000 0.830 315 A HN 0.581 nan 8.150 nan 0.000 0.446 316 K N -0.341 120.032 120.400 -0.046 0.000 2.555 316 K HA 0.311 4.632 4.320 0.001 0.000 0.193 316 K C 1.448 178.042 176.600 -0.009 0.000 1.032 316 K CA 0.885 57.159 56.287 -0.021 0.000 1.004 316 K CB -0.194 32.293 32.500 -0.022 0.000 0.804 316 K HN 0.338 nan 8.250 nan 0.000 0.496 317 A N 1.613 124.419 122.820 -0.024 0.000 1.924 317 A HA 0.146 4.467 4.320 0.001 0.000 0.211 317 A C 2.070 179.662 177.584 0.013 0.000 1.198 317 A CA 0.009 52.039 52.037 -0.012 0.000 0.657 317 A CB -0.331 18.646 19.000 -0.038 0.000 0.852 317 A HN 0.217 nan 8.150 nan 0.000 0.454 318 L N 0.012 121.242 121.223 0.012 0.000 2.043 318 L HA -0.208 4.133 4.340 0.001 0.000 0.212 318 L C 2.284 179.201 176.870 0.077 0.000 1.075 318 L CA 0.857 55.722 54.840 0.041 0.000 0.752 318 L CB -0.496 41.593 42.059 0.051 0.000 0.891 318 L HN 0.288 nan 8.230 nan 0.000 0.432 319 L N -0.522 120.746 121.223 0.075 0.000 2.093 319 L HA -0.177 4.164 4.340 0.001 0.000 0.208 319 L C 2.489 179.486 176.870 0.212 0.000 1.085 319 L CA 1.516 56.445 54.840 0.148 0.000 0.755 319 L CB -1.284 40.819 42.059 0.074 0.000 0.904 319 L HN 0.277 nan 8.230 nan 0.000 0.435 320 E N 1.098 121.368 120.200 0.117 0.000 2.001 320 E HA -0.236 4.115 4.350 0.001 0.000 0.195 320 E C 1.491 178.131 176.600 0.067 0.000 1.002 320 E CA 1.127 57.579 56.400 0.086 0.000 0.819 320 E CB -0.173 29.554 29.700 0.044 0.000 0.769 320 E HN 0.004 nan 8.360 nan 0.000 0.454 321 K N -0.340 120.090 120.400 0.051 0.000 3.387 321 K HA 0.122 4.443 4.320 0.001 0.000 0.300 321 K C -0.688 175.941 176.600 0.050 0.000 0.980 321 K CA 0.752 57.060 56.287 0.035 0.000 1.098 321 K CB -0.708 31.806 32.500 0.024 0.000 1.227 321 K HN 0.206 nan 8.250 nan 0.000 0.367 322 A N -0.710 122.150 122.820 0.066 0.000 2.431 322 A HA 0.424 4.745 4.320 0.001 0.000 0.221 322 A C 0.993 178.570 177.584 -0.012 0.000 1.291 322 A CA -0.053 52.032 52.037 0.080 0.000 1.135 322 A CB -0.390 18.722 19.000 0.186 0.000 1.095 322 A HN 0.546 nan 8.150 nan 0.000 0.461 323 G N -1.665 107.089 108.800 -0.078 0.000 2.175 323 G HA2 -0.271 3.690 3.960 0.001 0.000 0.244 323 G HA3 -0.271 3.690 3.960 0.001 0.000 0.244 323 G C -0.254 174.411 174.900 -0.391 0.000 0.982 323 G CA 0.231 45.171 45.100 -0.267 0.000 0.641 323 G HN 0.708 nan 8.290 nan 0.000 0.527 324 W N 1.094 122.387 121.300 -0.010 0.000 2.282 324 W HA 0.676 5.338 4.660 0.002 0.000 0.322 324 W C 0.437 176.950 176.519 -0.009 0.000 1.011 324 W CA -0.270 57.070 57.345 -0.009 0.000 1.392 324 W CB 1.460 30.915 29.460 -0.008 0.000 1.215 324 W HN 0.166 nan 8.180 nan 0.000 0.394 325 T N 2.749 117.392 114.554 0.148 0.000 2.926 325 T HA 0.572 4.922 4.350 0.001 0.000 0.289 325 T C -0.547 174.203 174.700 0.084 0.000 1.054 325 T CA -0.738 61.417 62.100 0.092 0.000 1.015 325 T CB 0.808 69.697 68.868 0.036 0.000 1.167 325 T HN 0.199 nan 8.240 nan 0.000 0.526 326 L N 4.272 125.530 121.223 0.057 0.000 2.385 326 L HA 0.256 4.597 4.340 0.001 0.000 0.281 326 L C -1.329 175.560 176.870 0.033 0.000 1.106 326 L CA -1.501 53.367 54.840 0.046 0.000 0.856 326 L CB 0.992 43.071 42.059 0.033 0.000 1.186 326 L HN 0.633 nan 8.230 nan 0.000 0.453 327 P HA -0.173 nan 4.420 nan 0.000 0.227 327 P C 0.199 177.508 177.300 0.016 0.000 1.145 327 P CA 0.752 63.867 63.100 0.024 0.000 0.769 327 P CB 0.097 31.814 31.700 0.029 0.000 0.769 328 A N -1.620 121.210 122.820 0.016 0.000 1.758 328 A HA 0.149 4.470 4.320 0.001 0.000 0.226 328 A C 1.184 178.774 177.584 0.011 0.000 1.327 328 A CA 0.770 52.814 52.037 0.011 0.000 0.681 328 A CB -1.704 17.301 19.000 0.007 0.000 1.173 328 A HN 0.576 nan 8.150 nan 0.000 0.234 329 G N 0.555 109.362 108.800 0.012 0.000 2.796 329 G HA2 0.159 4.119 3.960 0.001 0.000 0.198 329 G HA3 0.159 4.119 3.960 0.001 0.000 0.198 329 G C 0.212 175.120 174.900 0.013 0.000 1.062 329 G CA 0.665 45.771 45.100 0.011 0.000 0.752 329 G HN 1.891 nan 8.290 nan 0.000 0.487 330 K N 0.958 121.368 120.400 0.017 0.000 2.280 330 K HA 0.718 5.038 4.320 0.001 0.000 0.234 330 K C 0.195 176.808 176.600 0.022 0.000 1.028 330 K CA -0.279 56.020 56.287 0.019 0.000 0.882 330 K CB 1.255 33.769 32.500 0.023 0.000 1.194 330 K HN -0.065 nan 8.250 nan 0.000 0.458 331 D N 0.063 120.476 120.400 0.022 0.000 2.423 331 D HA 0.155 4.796 4.640 0.001 0.000 0.212 331 D C 0.039 176.356 176.300 0.028 0.000 1.060 331 D CA 0.303 54.316 54.000 0.022 0.000 0.872 331 D CB 0.487 41.298 40.800 0.018 0.000 1.012 331 D HN 0.352 nan 8.370 nan 0.000 0.503 332 I N 2.373 122.962 120.570 0.032 0.000 2.352 332 I HA 0.116 4.286 4.170 0.001 0.000 0.290 332 I C 0.602 176.760 176.117 0.068 0.000 1.036 332 I CA -0.352 60.972 61.300 0.039 0.000 1.336 332 I CB 0.838 38.859 38.000 0.034 0.000 1.407 332 I HN -0.376 nan 8.210 nan 0.000 0.497 333 R N 5.270 125.824 120.500 0.091 0.000 2.694 333 R HA 0.296 4.637 4.340 0.001 0.000 0.268 333 R C -0.482 175.980 176.300 0.269 0.000 1.061 333 R CA -0.063 56.139 56.100 0.168 0.000 1.133 333 R CB 0.591 31.019 30.300 0.213 0.000 1.020 333 R HN 0.575 nan 8.270 nan 0.000 0.475 334 E N 0.604 120.954 120.200 0.250 0.000 2.369 334 E HA 0.329 4.680 4.350 0.001 0.000 0.270 334 E C -1.198 175.400 176.600 -0.004 0.000 0.909 334 E CA -1.106 55.414 56.400 0.200 0.000 0.775 334 E CB 2.225 31.972 29.700 0.079 0.000 1.270 334 E HN 0.181 nan 8.360 nan 0.000 0.445 335 K N 1.847 122.080 120.400 -0.278 0.000 2.637 335 K HA 0.265 4.586 4.320 0.001 0.000 0.248 335 K C -0.761 175.624 176.600 -0.358 0.000 0.971 335 K CA -0.328 55.582 56.287 -0.629 0.000 0.858 335 K CB 0.361 31.865 32.500 -1.660 0.000 1.170 335 K HN 0.536 nan 8.250 nan 0.000 0.443 336 N N 3.159 121.717 118.700 -0.236 0.000 2.753 336 N HA -0.193 4.548 4.740 0.001 0.000 0.251 336 N C 0.326 175.780 175.510 -0.093 0.000 1.097 336 N CA 1.805 54.766 53.050 -0.148 0.000 0.786 336 N CB -1.166 37.231 38.487 -0.150 0.000 1.137 336 N HN 1.229 nan 8.380 nan 0.000 0.566 337 G N -1.152 107.602 108.800 -0.077 0.000 2.131 337 G HA2 -0.263 3.698 3.960 0.001 0.000 0.201 337 G HA3 -0.263 3.698 3.960 0.001 0.000 0.201 337 G C -0.482 174.417 174.900 -0.002 0.000 1.000 337 G CA 0.150 45.233 45.100 -0.030 0.000 0.680 337 G HN 0.354 nan 8.290 nan 0.000 0.514 338 Q N 0.168 119.970 119.800 0.004 0.000 2.322 338 Q HA 0.443 4.784 4.340 0.001 0.000 0.265 338 Q C -2.647 173.475 176.000 0.202 0.000 0.985 338 Q CA -1.793 54.060 55.803 0.084 0.000 0.849 338 Q CB 2.508 31.299 28.738 0.089 0.000 1.274 338 Q HN 0.170 nan 8.270 nan 0.000 0.449 339 P HA -0.002 nan 4.420 nan 0.000 0.271 339 P C 0.168 177.604 177.300 0.226 0.000 1.216 339 P CA -0.423 62.782 63.100 0.175 0.000 0.776 339 P CB 0.512 32.267 31.700 0.091 0.000 0.881 340 L N 3.865 125.185 121.223 0.162 0.000 3.163 340 L HA 0.041 4.382 4.340 0.001 0.000 0.261 340 L C 0.142 176.919 176.870 -0.155 0.000 1.313 340 L CA 0.341 55.084 54.840 -0.163 0.000 1.111 340 L CB -1.808 40.082 42.059 -0.282 0.000 1.511 340 L HN 0.194 nan 8.230 nan 0.000 0.419 341 R N 1.032 121.506 120.500 -0.044 0.000 2.449 341 R HA 0.433 4.773 4.340 0.001 0.000 0.296 341 R C -0.525 175.737 176.300 -0.063 0.000 1.047 341 R CA 0.354 56.432 56.100 -0.037 0.000 1.018 341 R CB 0.396 30.699 30.300 0.005 0.000 0.962 341 R HN 0.354 nan 8.270 nan 0.000 0.428 342 I N 1.072 121.605 120.570 -0.061 0.000 2.608 342 I HA 0.266 4.437 4.170 0.001 0.000 0.295 342 I C 0.018 176.127 176.117 -0.014 0.000 1.049 342 I CA -0.986 60.282 61.300 -0.054 0.000 1.063 342 I CB 2.075 40.027 38.000 -0.080 0.000 1.248 342 I HN 0.526 nan 8.210 nan 0.000 0.424 343 E N 5.538 125.741 120.200 0.005 0.000 2.204 343 E HA 0.405 4.756 4.350 0.001 0.000 0.276 343 E C -1.915 174.715 176.600 0.050 0.000 0.974 343 E CA -0.703 55.714 56.400 0.028 0.000 0.815 343 E CB 2.189 31.907 29.700 0.030 0.000 1.119 343 E HN 0.392 nan 8.360 nan 0.000 0.393 344 L N 3.132 124.396 121.223 0.068 0.000 2.349 344 L HA 0.421 4.762 4.340 0.001 0.000 0.278 344 L C -1.031 175.921 176.870 0.136 0.000 0.996 344 L CA -0.341 54.562 54.840 0.104 0.000 0.825 344 L CB 1.676 43.820 42.059 0.142 0.000 1.243 344 L HN 0.384 nan 8.230 nan 0.000 0.412 345 S N 4.625 120.395 115.700 0.116 0.000 2.503 345 S HA 0.938 5.409 4.470 0.001 0.000 0.301 345 S C -1.012 173.729 174.600 0.235 0.000 1.087 345 S CA -0.348 57.870 58.200 0.030 0.000 1.042 345 S CB 0.655 63.840 63.200 -0.024 0.000 1.043 345 S HN 0.544 nan 8.310 nan 0.000 0.489 346 F N 1.325 121.359 119.950 0.139 0.000 2.773 346 F HA 0.678 5.207 4.527 0.003 0.000 0.314 346 F C -1.885 173.925 175.800 0.017 0.000 1.160 346 F CA -1.471 56.606 58.000 0.129 0.000 0.920 346 F CB 0.122 39.190 39.000 0.112 0.000 1.323 346 F HN 0.273 nan 8.300 nan 0.000 0.457 347 I N 2.018 122.759 120.570 0.285 0.000 2.428 347 I HA 0.472 4.643 4.170 0.001 0.000 0.289 347 I C 1.405 177.683 176.117 0.268 0.000 1.019 347 I CA 0.183 61.572 61.300 0.148 0.000 1.351 347 I CB 1.172 39.211 38.000 0.066 0.000 1.412 347 I HN 0.932 nan 8.210 nan 0.000 0.513 348 G N 2.861 111.760 108.800 0.164 0.000 2.421 348 G HA2 -0.157 3.804 3.960 0.001 0.000 0.217 348 G HA3 -0.157 3.804 3.960 0.001 0.000 0.217 348 G C 1.137 176.068 174.900 0.051 0.000 1.143 348 G CA 0.893 46.101 45.100 0.180 0.000 0.784 348 G HN 0.660 nan 8.290 nan 0.000 0.541 349 T N -1.687 112.867 114.554 -0.001 0.000 3.565 349 T HA 0.211 4.562 4.350 0.001 0.000 0.248 349 T C -0.172 174.464 174.700 -0.106 0.000 1.033 349 T CA 0.215 62.279 62.100 -0.060 0.000 0.952 349 T CB -0.103 68.714 68.868 -0.086 0.000 1.072 349 T HN 0.163 nan 8.240 nan 0.000 0.609 350 D N -0.238 120.105 120.400 -0.095 0.000 2.421 350 D HA 0.627 5.268 4.640 0.001 0.000 0.254 350 D C 1.015 177.197 176.300 -0.196 0.000 1.238 350 D CA -0.422 53.486 54.000 -0.154 0.000 0.919 350 D CB 1.026 41.734 40.800 -0.152 0.000 1.152 350 D HN 0.046 nan 8.370 nan 0.000 0.552 351 A N 3.301 126.014 122.820 -0.179 0.000 2.019 351 A HA -0.108 4.213 4.320 0.001 0.000 0.219 351 A C 1.787 179.235 177.584 -0.228 0.000 1.164 351 A CA 0.820 52.751 52.037 -0.176 0.000 0.644 351 A CB -0.335 18.586 19.000 -0.132 0.000 0.805 351 A HN 0.592 nan 8.150 nan 0.000 0.449 352 L N -0.565 120.507 121.223 -0.252 0.000 2.072 352 L HA -0.017 4.324 4.340 0.001 0.000 0.205 352 L C 2.573 179.176 176.870 -0.445 0.000 1.079 352 L CA 2.330 57.001 54.840 -0.282 0.000 0.752 352 L CB -0.549 41.370 42.059 -0.233 0.000 0.906 352 L HN 0.285 nan 8.230 nan 0.000 0.436 353 S N -0.913 114.413 115.700 -0.624 0.000 2.377 353 S HA -0.139 4.332 4.470 0.001 0.000 0.223 353 S C 1.916 175.792 174.600 -1.206 0.000 1.030 353 S CA 0.951 58.431 58.200 -1.200 0.000 0.970 353 S CB -0.147 62.296 63.200 -1.262 0.000 0.830 353 S HN 0.370 nan 8.310 nan 0.000 0.473 354 K N 1.259 121.091 120.400 -0.947 0.000 2.152 354 K HA -0.075 4.246 4.320 0.001 0.000 0.206 354 K C 2.315 178.594 176.600 -0.535 0.000 1.048 354 K CA 1.394 57.142 56.287 -0.897 0.000 0.933 354 K CB -0.235 32.004 32.500 -0.434 0.000 0.721 354 K HN 0.267 nan 8.250 nan 0.000 0.447 355 S N 0.172 115.626 115.700 -0.409 0.000 2.357 355 S HA -0.069 4.402 4.470 0.001 0.000 0.221 355 S C 1.911 176.372 174.600 -0.233 0.000 1.031 355 S CA 1.041 59.083 58.200 -0.263 0.000 0.982 355 S CB -0.074 62.995 63.200 -0.218 0.000 0.853 355 S HN 0.318 nan 8.310 nan 0.000 0.458 356 M N 1.008 120.448 119.600 -0.268 0.000 2.200 356 M HA 0.096 4.577 4.480 0.001 0.000 0.265 356 M C 2.505 178.811 176.300 0.010 0.000 1.066 356 M CA 1.122 56.359 55.300 -0.104 0.000 1.127 356 M CB -0.613 31.980 32.600 -0.012 0.000 1.379 356 M HN 0.441 nan 8.290 nan 0.000 0.420 357 A N 0.889 123.648 122.820 -0.101 0.000 1.859 357 A HA -0.269 4.052 4.320 0.001 0.000 0.217 357 A C 1.996 179.599 177.584 0.033 0.000 1.198 357 A CA 2.368 54.447 52.037 0.069 0.000 0.629 357 A CB -1.000 17.806 19.000 -0.323 0.000 0.830 357 A HN 0.545 nan 8.150 nan 0.000 0.446 358 E N -0.469 119.691 120.200 -0.067 0.000 2.118 358 E HA -0.182 4.168 4.350 0.001 0.000 0.195 358 E C 1.857 178.449 176.600 -0.013 0.000 0.992 358 E CA 1.450 57.836 56.400 -0.023 0.000 0.804 358 E CB -0.235 29.433 29.700 -0.053 0.000 0.741 358 E HN 0.707 nan 8.360 nan 0.000 0.458 359 I N 0.328 120.878 120.570 -0.033 0.000 2.193 359 I HA -0.249 3.922 4.170 0.001 0.000 0.240 359 I C 2.318 178.434 176.117 -0.002 0.000 1.084 359 I CA 0.814 62.096 61.300 -0.030 0.000 1.365 359 I CB -0.298 37.666 38.000 -0.060 0.000 1.064 359 I HN 0.169 nan 8.210 nan 0.000 0.410 360 I N 0.690 121.272 120.570 0.019 0.000 2.118 360 I HA -0.406 3.765 4.170 0.001 0.000 0.241 360 I C 2.788 178.922 176.117 0.029 0.000 1.070 360 I CA 1.813 63.131 61.300 0.029 0.000 1.327 360 I CB -0.568 37.461 38.000 0.049 0.000 1.034 360 I HN 0.387 nan 8.210 nan 0.000 0.405 361 Q N 1.100 120.926 119.800 0.042 0.000 2.096 361 Q HA -0.292 4.049 4.340 0.001 0.000 0.208 361 Q C 2.226 178.241 176.000 0.026 0.000 0.993 361 Q CA 2.376 58.203 55.803 0.040 0.000 0.862 361 Q CB -0.157 28.616 28.738 0.058 0.000 0.915 361 Q HN 0.556 nan 8.270 nan 0.000 0.416 362 A N 2.121 124.953 122.820 0.021 0.000 1.829 362 A HA -0.222 4.099 4.320 0.001 0.000 0.216 362 A C 1.572 179.169 177.584 0.022 0.000 1.207 362 A CA 1.925 53.971 52.037 0.016 0.000 0.622 362 A CB -1.048 17.955 19.000 0.005 0.000 0.846 362 A HN 0.770 nan 8.150 nan 0.000 0.447 363 D N -1.115 119.301 120.400 0.028 0.000 2.358 363 D HA -0.009 4.632 4.640 0.001 0.000 0.241 363 D C 1.213 177.547 176.300 0.056 0.000 1.094 363 D CA 0.687 54.719 54.000 0.054 0.000 0.907 363 D CB -0.101 40.747 40.800 0.080 0.000 0.893 363 D HN 0.344 nan 8.370 nan 0.000 0.528 364 M N 0.409 120.027 119.600 0.031 0.000 2.429 364 M HA 0.108 4.589 4.480 0.001 0.000 0.265 364 M C 1.971 178.273 176.300 0.003 0.000 1.120 364 M CA 0.740 56.048 55.300 0.013 0.000 1.173 364 M CB -0.018 32.582 32.600 0.000 0.000 1.343 364 M HN -0.101 nan 8.290 nan 0.000 0.464 365 R N -0.481 120.023 120.500 0.008 0.000 2.328 365 R HA -0.131 4.210 4.340 0.001 0.000 0.207 365 R C 1.248 177.554 176.300 0.010 0.000 1.056 365 R CA 1.013 57.117 56.100 0.006 0.000 1.016 365 R CB -0.060 30.246 30.300 0.010 0.000 0.872 365 R HN 0.335 nan 8.270 nan 0.000 0.471 366 Q N 0.242 120.052 119.800 0.018 0.000 2.482 366 Q HA 0.039 4.379 4.340 0.001 0.000 0.209 366 Q C 1.084 177.090 176.000 0.009 0.000 0.961 366 Q CA 0.743 56.558 55.803 0.021 0.000 0.945 366 Q CB 0.345 29.108 28.738 0.041 0.000 1.012 366 Q HN 0.643 nan 8.270 nan 0.000 0.515 367 I N -6.495 114.075 120.570 -0.000 0.000 4.050 367 I HA 0.539 4.709 4.170 0.001 0.000 0.327 367 I C 0.935 177.045 176.117 -0.011 0.000 1.473 367 I CA 0.202 61.495 61.300 -0.011 0.000 1.124 367 I CB 0.770 38.757 38.000 -0.021 0.000 1.129 367 I HN -0.005 nan 8.210 nan 0.000 0.428 368 G N 1.463 110.260 108.800 -0.005 0.000 2.157 368 G HA2 -0.133 3.828 3.960 0.001 0.000 0.239 368 G HA3 -0.133 3.828 3.960 0.001 0.000 0.239 368 G C 0.261 175.147 174.900 -0.023 0.000 0.982 368 G CA -0.140 44.960 45.100 0.001 0.000 0.650 368 G HN 0.878 nan 8.290 nan 0.000 0.527 369 A N 0.160 122.951 122.820 -0.048 0.000 2.290 369 A HA 0.629 4.950 4.320 0.001 0.000 0.310 369 A C -0.339 177.215 177.584 -0.050 0.000 1.202 369 A CA 0.143 52.129 52.037 -0.086 0.000 0.837 369 A CB 0.991 19.920 19.000 -0.118 0.000 1.139 369 A HN 0.363 nan 8.150 nan 0.000 0.509 370 D N 2.501 122.871 120.400 -0.049 0.000 2.454 370 D HA 0.353 4.994 4.640 0.001 0.000 0.225 370 D C -0.739 175.548 176.300 -0.021 0.000 1.081 370 D CA -0.033 53.955 54.000 -0.021 0.000 0.864 370 D CB 1.283 42.080 40.800 -0.005 0.000 1.040 370 D HN 0.378 nan 8.370 nan 0.000 0.517 371 V N 2.759 122.668 119.914 -0.007 0.000 2.483 371 V HA 0.717 4.838 4.120 0.001 0.000 0.295 371 V C -0.451 175.661 176.094 0.030 0.000 1.035 371 V CA -0.310 61.993 62.300 0.005 0.000 0.896 371 V CB 1.626 33.455 31.823 0.010 0.000 0.986 371 V HN 0.513 nan 8.190 nan 0.000 0.447 372 S N 6.345 122.066 115.700 0.034 0.000 2.638 372 S HA 0.865 5.336 4.470 0.001 0.000 0.298 372 S C -0.833 173.811 174.600 0.072 0.000 1.111 372 S CA -0.675 57.552 58.200 0.045 0.000 1.027 372 S CB 1.454 64.669 63.200 0.026 0.000 1.064 372 S HN 0.826 nan 8.310 nan 0.000 0.525 373 L N 0.439 121.718 121.223 0.094 0.000 2.342 373 L HA 0.707 5.048 4.340 0.001 0.000 0.271 373 L C -0.641 176.208 176.870 -0.035 0.000 1.008 373 L CA -0.524 54.401 54.840 0.142 0.000 0.818 373 L CB 0.186 42.479 42.059 0.391 0.000 1.296 373 L HN 0.585 nan 8.230 nan 0.000 0.427 374 I N 1.429 121.848 120.570 -0.251 0.000 2.641 374 I HA 0.392 4.563 4.170 0.001 0.000 0.275 374 I C 0.363 176.054 176.117 -0.711 0.000 1.129 374 I CA -0.333 60.759 61.300 -0.346 0.000 1.094 374 I CB 1.466 39.363 38.000 -0.173 0.000 1.232 374 I HN 0.842 nan 8.210 nan 0.000 0.503 375 G N 4.167 112.403 108.800 -0.940 0.000 2.406 375 G HA2 0.506 4.467 3.960 0.001 0.000 0.251 375 G HA3 0.506 4.467 3.960 0.001 0.000 0.251 375 G C -0.428 174.257 174.900 -0.357 0.000 1.271 375 G CA 0.134 44.668 45.100 -0.944 0.000 0.859 375 G HN 0.606 nan 8.290 nan 0.000 0.540 376 E N 0.721 120.780 120.200 -0.235 0.000 2.449 376 E HA 0.225 4.576 4.350 0.001 0.000 0.278 376 E C -0.899 175.669 176.600 -0.053 0.000 0.992 376 E CA -0.907 55.424 56.400 -0.114 0.000 0.807 376 E CB 1.660 31.298 29.700 -0.102 0.000 1.350 376 E HN 0.497 nan 8.360 nan 0.000 0.462 377 E N 1.251 121.434 120.200 -0.029 0.000 2.467 377 E HA -0.108 4.243 4.350 0.001 0.000 0.264 377 E C 0.498 177.100 176.600 0.003 0.000 1.020 377 E CA 0.565 56.959 56.400 -0.009 0.000 0.945 377 E CB 0.278 29.977 29.700 -0.002 0.000 0.942 377 E HN 0.437 nan 8.360 nan 0.000 0.449 378 E N 1.086 121.291 120.200 0.009 0.000 2.077 378 E HA -0.218 4.133 4.350 0.001 0.000 0.193 378 E C 1.644 178.274 176.600 0.050 0.000 0.989 378 E CA 1.328 57.743 56.400 0.025 0.000 0.800 378 E CB -0.225 29.484 29.700 0.014 0.000 0.746 378 E HN 0.523 nan 8.360 nan 0.000 0.452 379 S N 0.898 116.620 115.700 0.036 0.000 2.420 379 S HA -0.233 4.238 4.470 0.001 0.000 0.237 379 S C 2.124 176.787 174.600 0.105 0.000 1.023 379 S CA 1.400 59.639 58.200 0.066 0.000 0.991 379 S CB -0.257 62.965 63.200 0.036 0.000 0.792 379 S HN 0.200 nan 8.310 nan 0.000 0.488 380 S N 1.230 116.963 115.700 0.056 0.000 2.325 380 S HA 0.088 4.559 4.470 0.001 0.000 0.214 380 S C 1.839 176.456 174.600 0.029 0.000 1.031 380 S CA 0.708 58.928 58.200 0.032 0.000 0.972 380 S CB -0.466 62.734 63.200 0.000 0.000 0.908 380 S HN 0.405 nan 8.310 nan 0.000 0.453 381 I N 1.712 122.293 120.570 0.018 0.000 2.236 381 I HA -0.177 3.994 4.170 0.001 0.000 0.249 381 I C 2.172 178.288 176.117 -0.001 0.000 1.102 381 I CA 1.506 62.803 61.300 -0.004 0.000 1.365 381 I CB -1.586 36.415 38.000 0.002 0.000 1.051 381 I HN 0.474 nan 8.210 nan 0.000 0.420 382 Y N 2.090 122.333 120.300 -0.094 0.000 2.097 382 Y HA -0.287 4.263 4.550 0.001 0.000 0.282 382 Y C 2.616 178.453 175.900 -0.105 0.000 1.152 382 Y CA 1.912 59.930 58.100 -0.137 0.000 1.136 382 Y CB -0.688 37.718 38.460 -0.091 0.000 0.975 382 Y HN 0.125 nan 8.280 nan 0.000 0.498 383 A N 0.717 123.424 122.820 -0.188 0.000 1.873 383 A HA -0.267 4.054 4.320 0.001 0.000 0.218 383 A C 2.318 179.801 177.584 -0.169 0.000 1.193 383 A CA 2.245 54.131 52.037 -0.251 0.000 0.629 383 A CB -0.851 18.100 19.000 -0.082 0.000 0.826 383 A HN 0.573 nan 8.150 nan 0.000 0.447 384 R N -0.562 119.901 120.500 -0.062 0.000 2.139 384 R HA -0.208 4.133 4.340 0.001 0.000 0.243 384 R C 2.480 178.871 176.300 0.150 0.000 1.145 384 R CA 1.844 57.978 56.100 0.056 0.000 0.976 384 R CB -0.339 30.012 30.300 0.085 0.000 0.866 384 R HN 0.725 nan 8.270 nan 0.000 0.449 385 Q N -0.174 119.592 119.800 -0.056 0.000 2.046 385 Q HA -0.086 4.255 4.340 0.001 0.000 0.200 385 Q C 2.167 178.166 176.000 -0.002 0.000 0.975 385 Q CA 1.061 56.825 55.803 -0.064 0.000 0.836 385 Q CB -0.015 28.534 28.738 -0.315 0.000 0.896 385 Q HN 0.320 nan 8.270 nan 0.000 0.428 386 R N 1.086 121.462 120.500 -0.205 0.000 2.096 386 R HA -0.135 4.206 4.340 0.001 0.000 0.235 386 R C 0.981 177.244 176.300 -0.062 0.000 1.127 386 R CA 1.617 57.606 56.100 -0.184 0.000 0.968 386 R CB -0.253 29.824 30.300 -0.372 0.000 0.861 386 R HN 0.474 nan 8.270 nan 0.000 0.440 387 D N -1.598 118.775 120.400 -0.046 0.000 2.424 387 D HA 0.137 4.778 4.640 0.001 0.000 0.220 387 D C 0.807 177.088 176.300 -0.031 0.000 1.150 387 D CA 0.288 54.272 54.000 -0.027 0.000 0.831 387 D CB 0.445 41.217 40.800 -0.046 0.000 0.981 387 D HN 0.192 nan 8.370 nan 0.000 0.500 388 G N 1.431 110.223 108.800 -0.014 0.000 2.233 388 G HA2 -0.421 3.540 3.960 0.001 0.000 0.270 388 G HA3 -0.421 3.540 3.960 0.001 0.000 0.270 388 G C 0.437 175.111 174.900 -0.377 0.000 1.011 388 G CA 0.098 45.033 45.100 -0.275 0.000 0.762 388 G HN 0.509 nan 8.290 nan 0.000 0.511 389 R N -0.020 120.420 120.500 -0.100 0.000 3.701 389 R HA 0.529 4.870 4.340 0.001 0.000 0.210 389 R C -0.040 176.304 176.300 0.073 0.000 1.598 389 R CA -0.018 56.050 56.100 -0.053 0.000 1.427 389 R CB -0.682 29.620 30.300 0.004 0.000 1.339 389 R HN 0.728 nan 8.270 nan 0.000 0.720 390 F N -2.791 117.128 119.950 -0.051 0.000 2.829 390 F HA 0.449 4.977 4.527 0.002 0.000 0.319 390 F C -0.015 175.754 175.800 -0.052 0.000 1.153 390 F CA -0.845 57.125 58.000 -0.050 0.000 0.912 390 F CB 0.299 39.269 39.000 -0.052 0.000 1.292 390 F HN -0.025 nan 8.300 nan 0.000 0.447 391 G N 0.458 109.414 108.800 0.261 0.000 2.729 391 G HA2 0.428 4.389 3.960 0.001 0.000 0.211 391 G HA3 0.428 4.389 3.960 0.001 0.000 0.211 391 G C -0.321 174.740 174.900 0.269 0.000 1.182 391 G CA -0.099 45.078 45.100 0.129 0.000 0.851 391 G HN 0.498 nan 8.290 nan 0.000 0.607 392 M N 0.312 120.046 119.600 0.224 0.000 2.393 392 M HA 0.586 5.067 4.480 0.001 0.000 0.299 392 M C -1.840 174.442 176.300 -0.030 0.000 1.103 392 M CA -0.423 54.926 55.300 0.082 0.000 0.910 392 M CB 3.356 35.934 32.600 -0.035 0.000 1.659 392 M HN 0.123 nan 8.290 nan 0.000 0.445 393 I N 2.014 122.443 120.570 -0.234 0.000 2.571 393 I HA 0.453 4.623 4.170 0.001 0.000 0.289 393 I C -1.232 174.763 176.117 -0.205 0.000 1.115 393 I CA -0.619 60.499 61.300 -0.303 0.000 1.045 393 I CB 1.476 39.015 38.000 -0.768 0.000 1.238 393 I HN 0.551 nan 8.210 nan 0.000 0.424 394 F N 6.499 126.455 119.950 0.011 0.000 2.629 394 F HA 0.133 4.660 4.527 0.000 0.000 0.377 394 F C 0.299 176.167 175.800 0.113 0.000 1.101 394 F CA 1.145 59.183 58.000 0.063 0.000 1.301 394 F CB 0.131 39.182 39.000 0.085 0.000 1.062 394 F HN 0.515 nan 8.300 nan 0.000 0.583 395 H N 3.015 122.169 119.070 0.139 0.000 3.079 395 H HA 0.579 5.136 4.556 0.001 0.000 0.356 395 H C -1.259 174.150 175.328 0.135 0.000 1.221 395 H CA -1.294 54.847 56.048 0.155 0.000 1.185 395 H CB 1.296 31.129 29.762 0.118 0.000 1.882 395 H HN 0.626 nan 8.280 nan 0.000 0.543 396 R N 1.495 121.813 120.500 -0.304 0.000 2.808 396 R HA 0.621 4.962 4.340 0.001 0.000 0.272 396 R C -0.804 175.254 176.300 -0.403 0.000 0.995 396 R CA -0.594 55.324 56.100 -0.304 0.000 0.917 396 R CB 1.370 31.639 30.300 -0.053 0.000 1.217 396 R HN 0.688 nan 8.270 nan 0.000 0.471 397 T N -2.242 111.996 114.554 -0.526 0.000 2.732 397 T HA 0.262 4.613 4.350 0.001 0.000 0.287 397 T C -0.021 174.623 174.700 -0.093 0.000 0.993 397 T CA -0.606 60.986 62.100 -0.846 0.000 0.966 397 T CB 0.500 68.730 68.868 -1.064 0.000 1.047 397 T HN 0.689 nan 8.240 nan 0.000 0.527 398 W N 0.666 121.893 121.300 -0.122 0.000 2.390 398 W HA 0.542 5.202 4.660 0.001 0.000 0.397 398 W C 1.113 177.653 176.519 0.035 0.000 0.839 398 W CA -0.912 56.387 57.345 -0.077 0.000 2.576 398 W CB -1.698 27.620 29.460 -0.237 0.000 1.346 398 W HN 1.394 nan 8.180 nan 0.000 0.708 399 G N 1.756 110.689 108.800 0.223 0.000 2.707 399 G HA2 -0.032 3.929 3.960 0.001 0.000 0.279 399 G HA3 -0.032 3.929 3.960 0.001 0.000 0.279 399 G C 0.213 175.279 174.900 0.277 0.000 1.345 399 G CA -0.154 45.066 45.100 0.201 0.000 0.912 399 G HN 0.575 nan 8.290 nan 0.000 0.563 400 A N 0.604 123.547 122.820 0.206 0.000 2.371 400 A HA 0.687 5.007 4.320 0.001 0.000 0.257 400 A C -0.448 177.199 177.584 0.105 0.000 1.089 400 A CA -0.192 51.939 52.037 0.158 0.000 0.794 400 A CB 0.859 19.969 19.000 0.183 0.000 1.029 400 A HN 0.754 nan 8.150 nan 0.000 0.488 401 P HA 0.074 nan 4.420 nan 0.000 0.268 401 P C 0.151 177.395 177.300 -0.094 0.000 1.329 401 P CA 0.364 63.297 63.100 -0.279 0.000 0.899 401 P CB 0.008 31.212 31.700 -0.826 0.000 1.378 402 Y N 0.716 121.076 120.300 0.099 0.000 2.224 402 Y HA -0.101 4.450 4.550 0.001 0.000 0.289 402 Y C 0.915 176.903 175.900 0.146 0.000 1.146 402 Y CA 0.954 59.173 58.100 0.198 0.000 1.182 402 Y CB -0.895 37.850 38.460 0.474 0.000 0.983 402 Y HN -0.019 nan 8.280 nan 0.000 0.524 403 D N 0.990 121.559 120.400 0.282 0.000 2.277 403 D HA 0.099 4.740 4.640 0.001 0.000 0.249 403 D C -1.543 174.727 176.300 -0.051 0.000 1.134 403 D CA -1.700 52.379 54.000 0.133 0.000 0.863 403 D CB 1.178 42.087 40.800 0.180 0.000 1.143 403 D HN 0.158 nan 8.370 nan 0.000 0.458 404 P HA -0.043 nan 4.420 nan 0.000 0.242 404 P C 1.295 178.707 177.300 0.187 0.000 1.176 404 P CA 0.407 63.369 63.100 -0.229 0.000 0.859 404 P CB 0.336 31.571 31.700 -0.775 0.000 1.010 405 H N 1.659 120.852 119.070 0.205 0.000 2.289 405 H HA -0.062 4.495 4.556 0.001 0.000 0.296 405 H C 1.548 177.046 175.328 0.283 0.000 1.091 405 H CA 2.114 58.342 56.048 0.300 0.000 1.274 405 H CB -0.948 28.970 29.762 0.260 0.000 1.364 405 H HN 0.026 nan 8.280 nan 0.000 0.490 406 A N 0.479 122.887 122.820 -0.687 0.000 2.014 406 A HA -0.041 4.280 4.320 0.001 0.000 0.218 406 A C 2.414 180.115 177.584 0.194 0.000 1.163 406 A CA 0.839 52.760 52.037 -0.195 0.000 0.652 406 A CB -1.109 17.840 19.000 -0.085 0.000 0.808 406 A HN 0.494 nan 8.150 nan 0.000 0.449 407 F N 0.317 120.262 119.950 -0.009 0.000 2.113 407 F HA -0.070 4.458 4.527 0.002 0.000 0.297 407 F C 1.932 177.693 175.800 -0.065 0.000 1.103 407 F CA 1.533 59.352 58.000 -0.301 0.000 1.248 407 F CB -0.164 38.690 39.000 -0.244 0.000 0.999 407 F HN 0.127 nan 8.300 nan 0.000 0.475 408 L N -0.553 120.820 121.223 0.251 0.000 2.012 408 L HA -0.274 4.067 4.340 0.001 0.000 0.210 408 L C 2.753 179.693 176.870 0.117 0.000 1.073 408 L CA 1.749 56.720 54.840 0.218 0.000 0.748 408 L CB -0.933 41.330 42.059 0.341 0.000 0.891 408 L HN 0.244 nan 8.230 nan 0.000 0.431 409 S N -0.536 115.255 115.700 0.152 0.000 2.440 409 S HA -0.199 4.272 4.470 0.001 0.000 0.240 409 S C 2.084 176.795 174.600 0.185 0.000 1.014 409 S CA 1.631 59.931 58.200 0.166 0.000 0.980 409 S CB -0.221 63.094 63.200 0.192 0.000 0.775 409 S HN 0.621 nan 8.310 nan 0.000 0.499 410 S N -0.113 115.682 115.700 0.158 0.000 2.527 410 S HA 0.163 4.634 4.470 0.001 0.000 0.222 410 S C 1.683 176.345 174.600 0.103 0.000 0.985 410 S CA 0.262 58.588 58.200 0.209 0.000 0.921 410 S CB -0.398 62.914 63.200 0.186 0.000 0.772 410 S HN 0.572 nan 8.310 nan 0.000 0.529 411 M N 0.764 120.393 119.600 0.048 0.000 2.476 411 M HA 0.133 4.613 4.480 0.001 0.000 0.262 411 M C 2.218 178.674 176.300 0.260 0.000 1.079 411 M CA 0.783 56.149 55.300 0.111 0.000 1.104 411 M CB -0.064 32.587 32.600 0.084 0.000 1.409 411 M HN 0.324 nan 8.290 nan 0.000 0.467 412 R N -0.209 120.429 120.500 0.231 0.000 2.161 412 R HA 0.044 4.385 4.340 0.001 0.000 0.213 412 R C 0.512 176.958 176.300 0.242 0.000 1.055 412 R CA 0.550 56.815 56.100 0.276 0.000 0.996 412 R CB 0.008 30.405 30.300 0.163 0.000 0.901 412 R HN 0.272 nan 8.270 nan 0.000 0.456 413 V N -1.015 118.942 119.914 0.073 0.000 2.680 413 V HA 0.436 4.557 4.120 0.001 0.000 0.309 413 V C -2.646 173.260 176.094 -0.313 0.000 1.052 413 V CA -3.028 59.122 62.300 -0.250 0.000 0.908 413 V CB 2.087 33.864 31.823 -0.077 0.000 1.001 413 V HN -0.098 nan 8.190 nan 0.000 0.431 414 P HA 0.106 nan 4.420 nan 0.000 0.262 414 P C 0.579 177.803 177.300 -0.126 0.000 1.455 414 P CA 0.520 63.442 63.100 -0.298 0.000 1.217 414 P CB 0.559 32.041 31.700 -0.364 0.000 1.625 415 S N 1.312 117.012 115.700 -0.000 0.000 2.564 415 S HA 0.097 4.568 4.470 0.001 0.000 0.231 415 S C 0.816 175.514 174.600 0.163 0.000 1.067 415 S CA 0.349 58.563 58.200 0.023 0.000 0.908 415 S CB -0.151 63.063 63.200 0.024 0.000 0.809 415 S HN 0.343 nan 8.310 nan 0.000 0.491 416 H N 0.194 119.275 119.070 0.017 0.000 4.584 416 H HA 0.800 5.356 4.556 0.001 0.000 0.369 416 H C 1.346 176.651 175.328 -0.038 0.000 1.248 416 H CA 0.411 56.483 56.048 0.040 0.000 0.619 416 H CB 0.453 30.338 29.762 0.205 0.000 1.195 416 H HN 0.201 nan 8.280 nan 0.000 0.659 417 A N -0.451 122.322 122.820 -0.079 0.000 2.140 417 A HA 0.123 4.444 4.320 0.001 0.000 0.209 417 A C 1.285 178.893 177.584 0.040 0.000 1.181 417 A CA 0.882 52.848 52.037 -0.119 0.000 0.824 417 A CB -0.258 18.466 19.000 -0.460 0.000 0.879 417 A HN 0.613 nan 8.150 nan 0.000 0.480 418 D N -0.148 120.260 120.400 0.013 0.000 2.087 418 D HA -0.199 4.442 4.640 0.001 0.000 0.192 418 D C 1.516 177.880 176.300 0.107 0.000 0.993 418 D CA 1.698 55.764 54.000 0.111 0.000 0.828 418 D CB -0.375 40.494 40.800 0.116 0.000 0.968 418 D HN 0.432 nan 8.370 nan 0.000 0.448 419 F N 1.532 121.495 119.950 0.022 0.000 2.043 419 F HA -0.328 4.200 4.527 0.001 0.000 0.297 419 F C 2.296 178.097 175.800 0.002 0.000 1.118 419 F CA 1.677 59.686 58.000 0.015 0.000 1.202 419 F CB -0.164 38.845 39.000 0.014 0.000 0.965 419 F HN -0.119 nan 8.300 nan 0.000 0.482 420 Q N 0.464 120.356 119.800 0.154 0.000 2.084 420 Q HA -0.164 4.177 4.340 0.001 0.000 0.202 420 Q C 2.534 178.465 176.000 -0.114 0.000 0.978 420 Q CA 1.516 57.316 55.803 -0.004 0.000 0.844 420 Q CB -1.198 27.590 28.738 0.085 0.000 0.898 420 Q HN 0.593 nan 8.270 nan 0.000 0.426 421 A N 1.250 124.079 122.820 0.016 0.000 1.978 421 A HA -0.223 4.098 4.320 0.001 0.000 0.220 421 A C 1.826 179.329 177.584 -0.136 0.000 1.170 421 A CA 1.586 53.620 52.037 -0.006 0.000 0.636 421 A CB -0.371 18.681 19.000 0.087 0.000 0.810 421 A HN 0.459 nan 8.150 nan 0.000 0.448 422 Q N -1.000 118.697 119.800 -0.171 0.000 2.319 422 Q HA 0.063 4.404 4.340 0.001 0.000 0.202 422 Q C 1.258 177.118 176.000 -0.233 0.000 0.896 422 Q CA -0.082 55.606 55.803 -0.192 0.000 0.942 422 Q CB 0.174 28.820 28.738 -0.152 0.000 1.083 422 Q HN 0.531 nan 8.270 nan 0.000 0.510 423 Q N 0.054 119.681 119.800 -0.288 0.000 2.439 423 Q HA -0.076 4.265 4.340 0.001 0.000 0.211 423 Q C 1.634 177.525 176.000 -0.182 0.000 0.978 423 Q CA 1.302 56.932 55.803 -0.288 0.000 0.897 423 Q CB -0.063 28.500 28.738 -0.291 0.000 0.956 423 Q HN 0.494 nan 8.270 nan 0.000 0.483 424 G N -0.741 107.967 108.800 -0.153 0.000 3.088 424 G HA2 0.214 4.175 3.960 0.001 0.000 0.217 424 G HA3 0.214 4.175 3.960 0.001 0.000 0.217 424 G C 0.430 175.274 174.900 -0.094 0.000 1.159 424 G CA -0.276 44.757 45.100 -0.112 0.000 0.760 424 G HN 0.118 nan 8.290 nan 0.000 0.550 425 L N 0.782 121.943 121.223 -0.104 0.000 2.350 425 L HA 0.428 4.768 4.340 0.001 0.000 0.275 425 L C 1.714 178.546 176.870 -0.064 0.000 1.099 425 L CA -0.662 54.131 54.840 -0.079 0.000 0.808 425 L CB 1.670 43.681 42.059 -0.081 0.000 1.149 425 L HN 0.097 nan 8.230 nan 0.000 0.442 426 A N 1.771 124.565 122.820 -0.043 0.000 1.897 426 A HA -0.128 4.193 4.320 0.001 0.000 0.215 426 A C 1.451 179.020 177.584 -0.025 0.000 1.181 426 A CA 1.219 53.237 52.037 -0.032 0.000 0.620 426 A CB -0.329 18.658 19.000 -0.022 0.000 0.821 426 A HN 0.868 nan 8.150 nan 0.000 0.443 427 D N -0.077 120.312 120.400 -0.019 0.000 2.371 427 D HA -0.082 4.559 4.640 0.001 0.000 0.221 427 D C 1.516 177.809 176.300 -0.011 0.000 0.986 427 D CA 0.480 54.476 54.000 -0.007 0.000 0.899 427 D CB -0.250 40.553 40.800 0.005 0.000 0.902 427 D HN 0.145 nan 8.370 nan 0.000 0.530 428 K N 1.009 121.389 120.400 -0.033 0.000 2.049 428 K HA -0.180 4.140 4.320 0.001 0.000 0.219 428 K C -0.768 175.820 176.600 -0.020 0.000 1.056 428 K CA 1.603 57.862 56.287 -0.046 0.000 0.946 428 K CB -1.467 30.972 32.500 -0.101 0.000 0.723 428 K HN 0.186 nan 8.250 nan 0.000 0.453 429 P HA -0.149 nan 4.420 nan 0.000 0.215 429 P C 1.485 178.795 177.300 0.017 0.000 1.153 429 P CA 0.877 63.982 63.100 0.008 0.000 0.853 429 P CB -0.017 31.686 31.700 0.005 0.000 0.788 430 L N -0.712 120.518 121.223 0.012 0.000 2.056 430 L HA -0.118 4.223 4.340 0.001 0.000 0.207 430 L C 2.140 179.024 176.870 0.024 0.000 1.078 430 L CA 1.696 56.546 54.840 0.017 0.000 0.749 430 L CB -1.226 40.842 42.059 0.015 0.000 0.901 430 L HN -0.099 nan 8.230 nan 0.000 0.433 431 I N -0.603 119.983 120.570 0.026 0.000 2.179 431 I HA -0.288 3.883 4.170 0.001 0.000 0.242 431 I C 2.054 178.200 176.117 0.048 0.000 1.088 431 I CA 1.477 62.802 61.300 0.042 0.000 1.357 431 I CB -0.665 37.362 38.000 0.045 0.000 1.051 431 I HN 0.250 nan 8.210 nan 0.000 0.409 432 D N 0.929 121.358 120.400 0.048 0.000 2.117 432 D HA -0.200 4.440 4.640 0.001 0.000 0.197 432 D C 2.083 178.414 176.300 0.052 0.000 0.987 432 D CA 1.204 55.243 54.000 0.064 0.000 0.829 432 D CB -0.185 40.662 40.800 0.079 0.000 0.961 432 D HN 0.259 nan 8.370 nan 0.000 0.460 433 K N 0.851 121.274 120.400 0.039 0.000 2.032 433 K HA -0.152 4.169 4.320 0.001 0.000 0.209 433 K C 1.808 178.421 176.600 0.021 0.000 1.048 433 K CA 1.248 57.553 56.287 0.030 0.000 0.927 433 K CB 0.110 32.624 32.500 0.024 0.000 0.712 433 K HN 0.111 nan 8.250 nan 0.000 0.441 434 E N 0.316 120.525 120.200 0.016 0.000 2.150 434 E HA -0.161 4.190 4.350 0.001 0.000 0.193 434 E C 2.009 178.594 176.600 -0.024 0.000 0.985 434 E CA 1.108 57.505 56.400 -0.005 0.000 0.814 434 E CB -0.078 29.621 29.700 -0.002 0.000 0.752 434 E HN 0.424 nan 8.360 nan 0.000 0.466 435 I N 0.919 121.494 120.570 0.007 0.000 2.493 435 I HA -0.141 4.030 4.170 0.001 0.000 0.254 435 I C 2.486 178.610 176.117 0.011 0.000 1.160 435 I CA 0.945 62.250 61.300 0.009 0.000 1.445 435 I CB -0.398 37.643 38.000 0.069 0.000 1.086 435 I HN 0.122 nan 8.210 nan 0.000 0.433 436 G N 0.515 109.330 108.800 0.025 0.000 2.394 436 G HA2 -0.180 3.781 3.960 0.001 0.000 0.215 436 G HA3 -0.180 3.781 3.960 0.001 0.000 0.215 436 G C 1.506 176.417 174.900 0.019 0.000 1.165 436 G CA 0.337 45.457 45.100 0.034 0.000 0.784 436 G HN 0.382 nan 8.290 nan 0.000 0.535 437 E N -0.186 120.013 120.200 -0.002 0.000 2.077 437 E HA -0.106 4.245 4.350 0.001 0.000 0.193 437 E C 2.551 179.124 176.600 -0.045 0.000 0.989 437 E CA 0.986 57.380 56.400 -0.011 0.000 0.800 437 E CB -0.228 29.462 29.700 -0.017 0.000 0.746 437 E HN 0.256 nan 8.360 nan 0.000 0.452 438 V N 0.865 120.707 119.914 -0.121 0.000 2.427 438 V HA -0.199 3.922 4.120 0.001 0.000 0.248 438 V C 1.930 177.970 176.094 -0.090 0.000 1.051 438 V CA 1.295 63.447 62.300 -0.246 0.000 1.048 438 V CB -0.105 31.360 31.823 -0.596 0.000 0.666 438 V HN 0.179 nan 8.190 nan 0.000 0.456 439 L N 0.295 121.499 121.223 -0.032 0.000 2.201 439 L HA 0.072 4.413 4.340 0.001 0.000 0.212 439 L C 2.477 179.336 176.870 -0.018 0.000 1.105 439 L CA 2.167 56.992 54.840 -0.024 0.000 0.775 439 L CB -1.195 40.907 42.059 0.072 0.000 0.913 439 L HN 0.415 nan 8.230 nan 0.000 0.440 440 A N -2.314 120.549 122.820 0.073 0.000 1.956 440 A HA 0.023 4.343 4.320 0.001 0.000 0.212 440 A C 1.475 179.131 177.584 0.120 0.000 1.188 440 A CA 0.635 52.738 52.037 0.111 0.000 0.675 440 A CB -0.494 18.569 19.000 0.105 0.000 0.845 440 A HN 0.301 nan 8.150 nan 0.000 0.455 441 T N -0.614 113.986 114.554 0.075 0.000 2.946 441 T HA 0.105 4.456 4.350 0.001 0.000 0.311 441 T C 0.530 175.152 174.700 -0.130 0.000 1.063 441 T CA 0.467 62.586 62.100 0.032 0.000 1.139 441 T CB 0.138 68.995 68.868 -0.018 0.000 0.994 441 T HN 0.461 nan 8.240 nan 0.000 0.547 442 H N 1.338 120.387 119.070 -0.035 0.000 2.755 442 H HA 0.307 4.864 4.556 0.002 0.000 0.273 442 H C -0.195 175.074 175.328 -0.097 0.000 1.055 442 H CA -0.313 55.672 56.048 -0.106 0.000 1.191 442 H CB 0.433 30.175 29.762 -0.033 0.000 1.536 442 H HN 0.560 nan 8.280 nan 0.000 0.529 443 D N 0.527 120.940 120.400 0.020 0.000 2.313 443 D HA 0.027 4.668 4.640 0.001 0.000 0.239 443 D C 0.963 177.252 176.300 -0.018 0.000 1.142 443 D CA -0.072 53.934 54.000 0.010 0.000 0.847 443 D CB 0.966 41.779 40.800 0.021 0.000 1.082 443 D HN 0.026 nan 8.370 nan 0.000 0.480 444 E N 1.894 122.093 120.200 -0.002 0.000 2.204 444 E HA -0.108 4.243 4.350 0.001 0.000 0.195 444 E C 1.474 178.103 176.600 0.048 0.000 0.990 444 E CA 0.992 57.406 56.400 0.024 0.000 0.821 444 E CB 0.015 29.738 29.700 0.038 0.000 0.750 444 E HN 0.554 nan 8.360 nan 0.000 0.477 445 T N 0.805 115.380 114.554 0.035 0.000 2.809 445 T HA -0.143 4.208 4.350 0.001 0.000 0.260 445 T C 1.879 176.599 174.700 0.033 0.000 1.039 445 T CA 1.328 63.452 62.100 0.041 0.000 1.141 445 T CB -0.111 68.776 68.868 0.032 0.000 0.869 445 T HN 0.048 nan 8.240 nan 0.000 0.437 446 Q N 1.731 121.540 119.800 0.015 0.000 2.061 446 Q HA -0.071 4.270 4.340 0.001 0.000 0.204 446 Q C 2.267 178.252 176.000 -0.025 0.000 0.984 446 Q CA 1.712 57.514 55.803 -0.001 0.000 0.846 446 Q CB -0.326 28.409 28.738 -0.005 0.000 0.902 446 Q HN 0.420 nan 8.270 nan 0.000 0.421 447 R N -0.459 120.014 120.500 -0.045 0.000 2.083 447 R HA -0.206 4.135 4.340 0.001 0.000 0.237 447 R C 2.357 178.642 176.300 -0.025 0.000 1.137 447 R CA 2.004 58.036 56.100 -0.114 0.000 0.951 447 R CB -0.201 30.021 30.300 -0.130 0.000 0.851 447 R HN 0.444 nan 8.270 nan 0.000 0.434 448 Q N -0.642 119.217 119.800 0.098 0.000 2.084 448 Q HA -0.132 4.209 4.340 0.001 0.000 0.202 448 Q C 2.047 178.132 176.000 0.141 0.000 0.978 448 Q CA 1.752 57.679 55.803 0.206 0.000 0.844 448 Q CB -0.072 28.781 28.738 0.192 0.000 0.898 448 Q HN 0.489 nan 8.270 nan 0.000 0.426 449 A N 0.241 123.105 122.820 0.073 0.000 1.930 449 A HA -0.142 4.179 4.320 0.001 0.000 0.217 449 A C 1.941 179.547 177.584 0.037 0.000 1.175 449 A CA 1.014 53.084 52.037 0.054 0.000 0.627 449 A CB -0.474 18.545 19.000 0.033 0.000 0.815 449 A HN 0.318 nan 8.150 nan 0.000 0.443 450 L N -2.539 118.672 121.223 -0.020 0.000 2.131 450 L HA -0.121 4.220 4.340 0.001 0.000 0.206 450 L C 2.508 179.353 176.870 -0.042 0.000 1.087 450 L CA 1.126 55.923 54.840 -0.071 0.000 0.767 450 L CB -0.576 41.374 42.059 -0.181 0.000 0.917 450 L HN 0.469 nan 8.230 nan 0.000 0.441 451 Y N 0.100 120.392 120.300 -0.012 0.000 2.181 451 Y HA -0.279 4.272 4.550 0.002 0.000 0.288 451 Y C 2.931 178.868 175.900 0.062 0.000 1.146 451 Y CA 1.325 59.430 58.100 0.009 0.000 1.164 451 Y CB -0.091 38.343 38.460 -0.043 0.000 0.982 451 Y HN 0.114 nan 8.280 nan 0.000 0.515 452 R N 0.543 121.177 120.500 0.222 0.000 2.092 452 R HA -0.190 4.151 4.340 0.001 0.000 0.231 452 R C 1.670 178.049 176.300 0.131 0.000 1.119 452 R CA 2.124 58.319 56.100 0.158 0.000 0.970 452 R CB -0.391 29.981 30.300 0.120 0.000 0.864 452 R HN 0.294 nan 8.270 nan 0.000 0.440 453 D N 0.052 120.517 120.400 0.107 0.000 2.103 453 D HA -0.085 4.556 4.640 0.001 0.000 0.199 453 D C 1.920 178.285 176.300 0.108 0.000 0.978 453 D CA 1.512 55.566 54.000 0.089 0.000 0.829 453 D CB 0.060 40.896 40.800 0.059 0.000 0.981 453 D HN 0.317 nan 8.370 nan 0.000 0.464 454 I N 0.219 120.861 120.570 0.120 0.000 2.127 454 I HA -0.268 3.903 4.170 0.001 0.000 0.241 454 I C 2.325 178.560 176.117 0.196 0.000 1.075 454 I CA 0.901 62.289 61.300 0.146 0.000 1.334 454 I CB -0.339 37.756 38.000 0.158 0.000 1.040 454 I HN 0.123 nan 8.210 nan 0.000 0.405 455 L N -0.120 121.245 121.223 0.236 0.000 2.141 455 L HA -0.156 4.185 4.340 0.001 0.000 0.209 455 L C 2.576 179.584 176.870 0.229 0.000 1.094 455 L CA 1.278 56.276 54.840 0.263 0.000 0.763 455 L CB -0.937 41.286 42.059 0.273 0.000 0.908 455 L HN 0.282 nan 8.230 nan 0.000 0.437 456 T N -0.780 113.883 114.554 0.181 0.000 2.777 456 T HA -0.123 4.228 4.350 0.001 0.000 0.266 456 T C 2.064 176.869 174.700 0.175 0.000 1.040 456 T CA 1.010 63.214 62.100 0.174 0.000 1.141 456 T CB -0.087 68.856 68.868 0.125 0.000 0.868 456 T HN 0.264 nan 8.240 nan 0.000 0.444 457 R N 0.597 121.180 120.500 0.138 0.000 2.070 457 R HA 0.054 4.395 4.340 0.001 0.000 0.233 457 R C 2.443 178.807 176.300 0.107 0.000 1.137 457 R CA 1.161 57.322 56.100 0.102 0.000 0.945 457 R CB -0.583 29.765 30.300 0.080 0.000 0.845 457 R HN 0.329 nan 8.270 nan 0.000 0.430 458 L N -0.345 120.969 121.223 0.151 0.000 2.191 458 L HA -0.212 4.129 4.340 0.001 0.000 0.212 458 L C 2.638 179.611 176.870 0.171 0.000 1.103 458 L CA 1.068 56.003 54.840 0.159 0.000 0.769 458 L CB -0.570 41.656 42.059 0.279 0.000 0.908 458 L HN 0.400 nan 8.230 nan 0.000 0.438 459 H N 0.156 119.294 119.070 0.114 0.000 2.343 459 H HA -0.124 4.433 4.556 0.001 0.000 0.303 459 H C 1.583 176.938 175.328 0.046 0.000 1.068 459 H CA 1.496 57.600 56.048 0.092 0.000 1.359 459 H CB 0.406 30.224 29.762 0.093 0.000 1.402 459 H HN 0.281 nan 8.280 nan 0.000 0.515 460 D N 0.892 121.320 120.400 0.047 0.000 2.097 460 D HA -0.131 4.510 4.640 0.001 0.000 0.195 460 D C 1.749 178.013 176.300 -0.061 0.000 0.989 460 D CA 1.013 55.004 54.000 -0.015 0.000 0.827 460 D CB -0.332 40.499 40.800 0.051 0.000 0.966 460 D HN 0.567 nan 8.370 nan 0.000 0.456 461 E N 0.339 120.516 120.200 -0.038 0.000 2.516 461 E HA 0.156 4.507 4.350 0.001 0.000 0.199 461 E C 0.453 176.992 176.600 -0.101 0.000 1.069 461 E CA 0.405 56.770 56.400 -0.057 0.000 0.876 461 E CB -0.007 29.666 29.700 -0.044 0.000 0.843 461 E HN 0.172 nan 8.360 nan 0.000 0.530 462 A N 0.726 123.463 122.820 -0.137 0.000 2.466 462 A HA -0.203 4.118 4.320 0.001 0.000 0.295 462 A C 1.290 178.769 177.584 -0.174 0.000 1.465 462 A CA 0.484 52.420 52.037 -0.169 0.000 0.744 462 A CB -2.174 16.723 19.000 -0.172 0.000 1.098 462 A HN 0.201 nan 8.150 nan 0.000 0.402 463 V N -1.339 118.431 119.914 -0.239 0.000 2.667 463 V HA -0.033 4.088 4.120 0.001 0.000 0.252 463 V C 1.022 176.753 176.094 -0.605 0.000 1.065 463 V CA 1.899 63.915 62.300 -0.474 0.000 1.083 463 V CB -0.712 30.676 31.823 -0.725 0.000 0.692 463 V HN 0.694 nan 8.190 nan 0.000 0.468 464 Y N -1.744 118.537 120.300 -0.030 0.000 2.598 464 Y HA 0.649 5.199 4.550 0.001 0.000 0.340 464 Y C -0.280 175.572 175.900 -0.079 0.000 1.038 464 Y CA -1.202 56.877 58.100 -0.036 0.000 1.100 464 Y CB 1.803 40.255 38.460 -0.014 0.000 1.281 464 Y HN -0.202 nan 8.280 nan 0.000 0.488 465 L N 4.316 125.595 121.223 0.094 0.000 2.387 465 L HA 0.518 4.859 4.340 0.001 0.000 0.259 465 L C -2.896 173.955 176.870 -0.031 0.000 1.050 465 L CA -1.963 52.867 54.840 -0.016 0.000 0.922 465 L CB 1.167 43.186 42.059 -0.068 0.000 1.280 465 L HN 0.348 nan 8.230 nan 0.000 0.449 466 P HA 0.227 nan 4.420 nan 0.000 0.271 466 P C 0.211 177.425 177.300 -0.144 0.000 1.216 466 P CA 0.092 63.124 63.100 -0.113 0.000 0.771 466 P CB 1.489 33.128 31.700 -0.102 0.000 0.864 467 I N -0.051 120.410 120.570 -0.181 0.000 3.904 467 I HA 0.126 4.297 4.170 0.001 0.000 0.235 467 I C 0.995 176.958 176.117 -0.256 0.000 1.062 467 I CA 0.525 61.727 61.300 -0.163 0.000 1.574 467 I CB -0.078 37.870 38.000 -0.085 0.000 1.503 467 I HN 0.290 nan 8.210 nan 0.000 0.463 468 S N -1.559 113.966 115.700 -0.291 0.000 2.697 468 S HA 0.555 5.026 4.470 0.001 0.000 0.289 468 S C -1.664 172.666 174.600 -0.450 0.000 1.149 468 S CA -0.421 57.561 58.200 -0.363 0.000 0.850 468 S CB 1.061 64.150 63.200 -0.184 0.000 1.151 468 S HN 0.060 nan 8.310 nan 0.000 0.491 469 Y N 2.207 122.467 120.300 -0.066 0.000 2.328 469 Y HA 0.511 5.062 4.550 0.001 0.000 0.337 469 Y C 0.542 176.396 175.900 -0.077 0.000 1.008 469 Y CA -0.948 57.107 58.100 -0.075 0.000 1.129 469 Y CB 0.614 39.037 38.460 -0.063 0.000 1.185 469 Y HN 0.548 nan 8.280 nan 0.000 0.476 470 I N 0.099 120.697 120.570 0.046 0.000 2.676 470 I HA 0.902 5.073 4.170 0.001 0.000 0.309 470 I C -0.309 175.786 176.117 -0.037 0.000 0.990 470 I CA -0.637 60.651 61.300 -0.021 0.000 1.168 470 I CB 2.090 40.056 38.000 -0.057 0.000 1.343 470 I HN 0.495 nan 8.210 nan 0.000 0.482 471 S N 3.892 119.540 115.700 -0.086 0.000 2.740 471 S HA 0.605 5.076 4.470 0.001 0.000 0.300 471 S C -0.378 174.116 174.600 -0.177 0.000 1.147 471 S CA -1.116 57.005 58.200 -0.130 0.000 0.871 471 S CB 1.373 64.487 63.200 -0.143 0.000 1.173 471 S HN 0.598 nan 8.310 nan 0.000 0.510 472 M N 2.138 121.597 119.600 -0.235 0.000 2.238 472 M HA 0.315 4.796 4.480 0.001 0.000 0.347 472 M C -0.383 175.753 176.300 -0.272 0.000 1.173 472 M CA 0.285 55.428 55.300 -0.261 0.000 1.147 472 M CB 0.719 33.138 32.600 -0.302 0.000 1.547 472 M HN 0.814 nan 8.290 nan 0.000 0.455 473 M N 3.882 123.282 119.600 -0.334 0.000 2.321 473 M HA 0.579 5.060 4.480 0.001 0.000 0.315 473 M C -2.055 174.048 176.300 -0.328 0.000 1.052 473 M CA -0.578 54.474 55.300 -0.414 0.000 0.936 473 M CB 1.636 33.823 32.600 -0.687 0.000 1.639 473 M HN 0.402 nan 8.290 nan 0.000 0.433 474 V N 4.998 124.821 119.914 -0.152 0.000 2.638 474 V HA 0.652 4.773 4.120 0.001 0.000 0.306 474 V C -0.954 175.152 176.094 0.021 0.000 1.052 474 V CA -0.683 61.549 62.300 -0.112 0.000 0.885 474 V CB 2.191 33.943 31.823 -0.118 0.000 0.999 474 V HN 0.729 nan 8.190 nan 0.000 0.424 475 V N 3.943 123.815 119.914 -0.069 0.000 2.525 475 V HA 0.811 4.931 4.120 0.001 0.000 0.299 475 V C -0.255 175.632 176.094 -0.345 0.000 1.034 475 V CA -0.214 61.951 62.300 -0.226 0.000 0.863 475 V CB 1.943 33.548 31.823 -0.362 0.000 0.999 475 V HN 1.058 nan 8.190 nan 0.000 0.423 476 S N 3.854 119.463 115.700 -0.152 0.000 2.607 476 S HA 0.646 5.117 4.470 0.001 0.000 0.273 476 S C -1.106 173.660 174.600 0.275 0.000 1.148 476 S CA -1.159 57.097 58.200 0.093 0.000 0.833 476 S CB 2.008 65.294 63.200 0.144 0.000 1.130 476 S HN 0.498 nan 8.310 nan 0.000 0.470 477 K N 1.481 122.048 120.400 0.278 0.000 2.322 477 K HA 0.264 4.585 4.320 0.001 0.000 0.283 477 K C -1.868 174.819 176.600 0.144 0.000 1.042 477 K CA -1.998 54.404 56.287 0.192 0.000 0.958 477 K CB 0.546 33.096 32.500 0.083 0.000 0.984 477 K HN 0.361 nan 8.250 nan 0.000 0.473 478 P HA -0.256 nan 4.420 nan 0.000 0.217 478 P C 0.311 177.615 177.300 0.005 0.000 1.151 478 P CA 1.421 64.549 63.100 0.047 0.000 0.849 478 P CB 0.156 31.880 31.700 0.041 0.000 0.787 479 E N -0.221 119.991 120.200 0.020 0.000 2.208 479 E HA -0.204 4.147 4.350 0.001 0.000 0.202 479 E C 1.768 178.371 176.600 0.005 0.000 1.014 479 E CA 0.975 57.379 56.400 0.006 0.000 0.819 479 E CB -1.058 28.648 29.700 0.009 0.000 0.735 479 E HN 0.323 nan 8.360 nan 0.000 0.469 480 L N 0.525 121.759 121.223 0.020 0.000 2.549 480 L HA -0.002 4.339 4.340 0.001 0.000 0.229 480 L C 1.319 178.188 176.870 -0.001 0.000 1.158 480 L CA 0.466 55.319 54.840 0.021 0.000 0.842 480 L CB -1.058 41.029 42.059 0.047 0.000 0.952 480 L HN 0.314 nan 8.230 nan 0.000 0.452 481 G N 0.703 109.483 108.800 -0.034 0.000 2.698 481 G HA2 -0.317 3.644 3.960 0.001 0.000 0.233 481 G HA3 -0.317 3.644 3.960 0.001 0.000 0.233 481 G C -0.119 174.722 174.900 -0.099 0.000 1.352 481 G CA -0.148 44.908 45.100 -0.074 0.000 0.879 481 G HN 0.395 nan 8.290 nan 0.000 0.567 482 N N 0.253 118.894 118.700 -0.098 0.000 2.468 482 N HA 0.191 4.932 4.740 0.001 0.000 0.265 482 N C 0.089 175.578 175.510 -0.035 0.000 1.199 482 N CA -0.193 52.814 53.050 -0.071 0.000 0.928 482 N CB 0.085 38.539 38.487 -0.055 0.000 1.059 482 N HN 0.458 nan 8.380 nan 0.000 0.467 483 I N 5.824 126.389 120.570 -0.009 0.000 2.297 483 I HA 0.324 4.495 4.170 0.001 0.000 0.291 483 I C -1.853 174.120 176.117 -0.239 0.000 1.033 483 I CA -2.519 58.743 61.300 -0.063 0.000 1.253 483 I CB 0.512 38.520 38.000 0.013 0.000 1.396 483 I HN 0.423 nan 8.210 nan 0.000 0.476 484 P HA 0.324 nan 4.420 nan 0.000 0.278 484 P C -1.414 175.703 177.300 -0.306 0.000 1.258 484 P CA -0.313 62.612 63.100 -0.291 0.000 0.811 484 P CB 0.927 32.561 31.700 -0.110 0.000 1.063 485 Y N -0.651 119.719 120.300 0.117 0.000 2.420 485 Y HA 0.544 5.095 4.550 0.001 0.000 0.334 485 Y C 0.888 176.844 175.900 0.094 0.000 1.094 485 Y CA -1.161 57.032 58.100 0.156 0.000 1.126 485 Y CB 1.448 39.977 38.460 0.115 0.000 1.217 485 Y HN 0.379 nan 8.280 nan 0.000 0.462 486 A N 3.395 126.367 122.820 0.253 0.000 2.354 486 A HA 0.382 4.703 4.320 0.001 0.000 0.269 486 A C -1.854 175.844 177.584 0.190 0.000 1.109 486 A CA -1.460 50.667 52.037 0.151 0.000 0.800 486 A CB 0.316 19.371 19.000 0.092 0.000 1.045 486 A HN 0.664 nan 8.150 nan 0.000 0.489 487 P HA -0.076 nan 4.420 nan 0.000 0.218 487 P C -0.014 177.486 177.300 0.332 0.000 1.148 487 P CA 1.022 64.259 63.100 0.229 0.000 0.822 487 P CB 0.042 31.836 31.700 0.157 0.000 0.784 488 I N -0.370 120.369 120.570 0.281 0.000 2.301 488 I HA 0.131 4.302 4.170 0.001 0.000 0.292 488 I C 1.455 177.694 176.117 0.203 0.000 1.046 488 I CA -0.554 60.880 61.300 0.224 0.000 1.282 488 I CB 1.227 39.331 38.000 0.174 0.000 1.409 488 I HN -0.073 nan 8.210 nan 0.000 0.484 489 A N 4.484 127.428 122.820 0.207 0.000 2.084 489 A HA -0.197 4.124 4.320 0.001 0.000 0.221 489 A C 1.961 179.647 177.584 0.171 0.000 1.161 489 A CA 2.315 54.459 52.037 0.179 0.000 0.653 489 A CB -0.734 18.358 19.000 0.153 0.000 0.802 489 A HN 0.790 nan 8.150 nan 0.000 0.457 490 T N -2.602 112.049 114.554 0.161 0.000 3.122 490 T HA 0.299 4.650 4.350 0.001 0.000 0.250 490 T C 0.254 175.030 174.700 0.126 0.000 1.067 490 T CA -0.125 62.052 62.100 0.128 0.000 0.966 490 T CB -0.025 68.872 68.868 0.049 0.000 1.002 490 T HN 0.544 nan 8.240 nan 0.000 0.542 491 E N 0.685 120.953 120.200 0.114 0.000 2.232 491 E HA 0.662 5.013 4.350 0.001 0.000 0.264 491 E C -0.858 175.705 176.600 -0.062 0.000 0.973 491 E CA -1.031 55.405 56.400 0.060 0.000 0.849 491 E CB 1.941 31.678 29.700 0.061 0.000 1.198 491 E HN 0.302 nan 8.360 nan 0.000 0.407 492 I N 2.419 122.855 120.570 -0.224 0.000 2.468 492 I HA 0.182 4.353 4.170 0.001 0.000 0.284 492 I C -2.127 173.606 176.117 -0.639 0.000 1.038 492 I CA -2.088 58.764 61.300 -0.747 0.000 1.083 492 I CB 2.094 39.398 38.000 -1.161 0.000 1.223 492 I HN 0.229 nan 8.210 nan 0.000 0.443 493 P HA 0.006 nan 4.420 nan 0.000 0.251 493 P C 0.790 177.952 177.300 -0.230 0.000 1.624 493 P CA 0.236 63.187 63.100 -0.248 0.000 0.907 493 P CB -0.405 31.203 31.700 -0.152 0.000 1.867 494 F N 1.786 121.647 119.950 -0.148 0.000 2.161 494 F HA -0.180 4.348 4.527 0.002 0.000 0.300 494 F C 2.289 178.177 175.800 0.146 0.000 1.089 494 F CA 1.264 59.187 58.000 -0.129 0.000 1.282 494 F CB -0.617 38.125 39.000 -0.430 0.000 1.010 494 F HN 0.159 nan 8.300 nan 0.000 0.485 495 E N 1.155 121.651 120.200 0.495 0.000 2.461 495 E HA -0.162 4.189 4.350 0.001 0.000 0.196 495 E C 0.809 177.499 176.600 0.151 0.000 1.129 495 E CA 0.710 57.327 56.400 0.361 0.000 0.902 495 E CB -0.424 29.377 29.700 0.169 0.000 0.963 495 E HN 0.574 nan 8.360 nan 0.000 0.503 496 Q N -0.178 119.689 119.800 0.113 0.000 2.157 496 Q HA 0.356 4.697 4.340 0.001 0.000 0.235 496 Q C 0.242 176.262 176.000 0.033 0.000 0.803 496 Q CA -0.260 55.573 55.803 0.050 0.000 0.967 496 Q CB 1.051 29.802 28.738 0.021 0.000 1.150 496 Q HN 0.249 nan 8.270 nan 0.000 0.482 497 I N 2.121 122.719 120.570 0.046 0.000 2.598 497 I HA 0.006 4.177 4.170 0.001 0.000 0.284 497 I C 0.169 176.314 176.117 0.046 0.000 1.140 497 I CA 0.582 61.900 61.300 0.030 0.000 1.420 497 I CB 0.473 38.498 38.000 0.042 0.000 1.387 497 I HN -0.124 nan 8.210 nan 0.000 0.553 498 K N 8.602 129.016 120.400 0.024 0.000 2.579 498 K HA 0.334 4.655 4.320 0.001 0.000 0.225 498 K C -2.066 174.542 176.600 0.013 0.000 0.992 498 K CA -1.517 54.783 56.287 0.022 0.000 1.018 498 K CB 1.476 33.984 32.500 0.013 0.000 1.249 498 K HN 0.197 nan 8.250 nan 0.000 0.489 499 P HA -0.172 nan 4.420 nan 0.000 0.215 499 P C -0.674 176.629 177.300 0.004 0.000 1.157 499 P CA 0.511 63.619 63.100 0.012 0.000 0.874 499 P CB 0.107 31.818 31.700 0.019 0.000 0.790 500 V N -1.611 118.307 119.914 0.006 0.000 3.688 500 V HA -0.233 3.887 4.120 0.001 0.000 0.524 500 V C 0.836 176.930 176.094 -0.001 0.000 0.682 500 V CA 1.659 63.960 62.300 0.001 0.000 2.081 500 V CB -1.007 30.814 31.823 -0.003 0.000 2.490 500 V HN 0.388 nan 8.190 nan 0.000 0.515 501 K N 1.517 121.917 120.400 -0.001 0.000 1.796 501 K HA 0.124 4.445 4.320 0.001 0.000 0.105 501 K C -1.308 175.291 176.600 -0.002 0.000 2.302 501 K CA 0.469 56.755 56.287 -0.002 0.000 1.130 501 K CB -0.812 31.687 32.500 -0.002 0.000 2.552 501 K HN 0.898 nan 8.250 nan 0.000 0.410 502 P HA 0.000 nan 4.420 nan 0.000 0.216 502 P CA 0.000 63.100 63.100 -0.000 0.000 0.800 502 P CB 0.000 31.701 31.700 0.001 0.000 0.726